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 65 HIS : no HE2:sc= -3.52 K(o=-3.1,f=-6!) USER MOD Set 1.2: A 71 SER OG : rot -82:sc= 0.463 USER MOD Single : A 2 GLN : amide:sc= -0.339 K(o=-0.34,f=-3.3!) USER MOD Single : A 3 HIS : no HE2:sc= -6.93! C(o=-6.9!,f=-8.2!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 9 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -1.58 (180deg=-3.19!) USER MOD Single : A 62 SER OG : rot -20:sc= 0.822 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -65:sc= 0.331 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 11.056 -4.820 -1.593 1.00 0.00 N ATOM 21 CA GLN A 2 10.850 -5.694 -2.782 1.00 0.00 C ATOM 22 C GLN A 2 9.882 -5.020 -3.756 1.00 0.00 C ATOM 23 O GLN A 2 10.017 -5.132 -4.958 1.00 0.00 O ATOM 24 CB GLN A 2 10.270 -7.037 -2.334 1.00 0.00 C ATOM 25 CG GLN A 2 11.291 -7.767 -1.459 1.00 0.00 C ATOM 26 CD GLN A 2 10.693 -9.089 -0.972 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.497 -9.286 -1.033 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.483 -10.008 -0.487 1.00 0.00 N ATOM 0 HA GLN A 2 11.806 -5.858 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.346 -6.879 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.019 -7.645 -3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.203 -7.955 -2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.567 -7.145 -0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.488 -9.842 -0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.095 -10.893 -0.159 1.00 0.00 H new ATOM 37 N HIS A 3 8.902 -4.322 -3.249 1.00 0.00 N ATOM 38 CA HIS A 3 7.926 -3.646 -4.149 1.00 0.00 C ATOM 39 C HIS A 3 7.300 -2.454 -3.422 1.00 0.00 C ATOM 40 O HIS A 3 6.179 -2.071 -3.690 1.00 0.00 O ATOM 41 CB HIS A 3 6.826 -4.633 -4.541 1.00 0.00 C ATOM 42 CG HIS A 3 6.669 -4.643 -6.036 1.00 0.00 C ATOM 43 ND1 HIS A 3 7.759 -4.657 -6.895 1.00 0.00 N ATOM 44 CD2 HIS A 3 5.556 -4.646 -6.842 1.00 0.00 C ATOM 45 CE1 HIS A 3 7.284 -4.668 -8.154 1.00 0.00 C ATOM 46 NE2 HIS A 3 5.950 -4.661 -8.175 1.00 0.00 N ATOM 0 H HIS A 3 8.736 -4.191 -2.251 1.00 0.00 H new ATOM 0 HA HIS A 3 8.441 -3.298 -5.044 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.076 -5.632 -4.184 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.885 -4.352 -4.068 1.00 0.00 H new ATOM 0 HD1 HIS A 3 8.742 -4.659 -6.622 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.534 -4.638 -6.494 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.905 -4.681 -9.037 1.00 0.00 H new ATOM 55 N ALA A 4 8.013 -1.866 -2.502 1.00 0.00 N ATOM 56 CA ALA A 4 7.454 -0.703 -1.760 1.00 0.00 C ATOM 57 C ALA A 4 7.159 0.436 -2.739 1.00 0.00 C ATOM 58 O ALA A 4 6.223 1.190 -2.562 1.00 0.00 O ATOM 59 CB ALA A 4 8.465 -0.228 -0.716 1.00 0.00 C ATOM 0 H ALA A 4 8.958 -2.141 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 4 6.531 -1.002 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.055 0.624 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.674 -1.038 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.389 0.069 -1.213 1.00 0.00 H new ATOM 65 N SER A 5 7.949 0.569 -3.770 1.00 0.00 N ATOM 66 CA SER A 5 7.704 1.665 -4.751 1.00 0.00 C ATOM 67 C SER A 5 6.331 1.477 -5.393 1.00 0.00 C ATOM 68 O SER A 5 5.624 2.429 -5.659 1.00 0.00 O ATOM 69 CB SER A 5 8.781 1.629 -5.837 1.00 0.00 C ATOM 70 OG SER A 5 8.611 0.462 -6.628 1.00 0.00 O ATOM 0 H SER A 5 8.749 -0.030 -3.975 1.00 0.00 H new ATOM 0 HA SER A 5 7.737 2.625 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.713 2.519 -6.462 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.772 1.633 -5.383 1.00 0.00 H new ATOM 0 HG SER A 5 9.299 0.437 -7.326 1.00 0.00 H new ATOM 76 N VAL A 6 5.940 0.257 -5.634 1.00 0.00 N ATOM 77 CA VAL A 6 4.606 0.012 -6.248 1.00 0.00 C ATOM 78 C VAL A 6 3.520 0.402 -5.249 1.00 0.00 C ATOM 79 O VAL A 6 2.494 0.937 -5.610 1.00 0.00 O ATOM 80 CB VAL A 6 4.462 -1.466 -6.607 1.00 0.00 C ATOM 81 CG1 VAL A 6 3.033 -1.740 -7.084 1.00 0.00 C ATOM 82 CG2 VAL A 6 5.449 -1.823 -7.723 1.00 0.00 C ATOM 0 H VAL A 6 6.486 -0.580 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 6 4.508 0.609 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 6 4.675 -2.073 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.931 -2.795 -7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.330 -1.490 -6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.820 -1.131 -7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.345 -2.878 -7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.239 -1.215 -8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.467 -1.631 -7.384 1.00 0.00 H new ATOM 92 N ILE A 7 3.737 0.134 -3.993 1.00 0.00 N ATOM 93 CA ILE A 7 2.716 0.492 -2.972 1.00 0.00 C ATOM 94 C ILE A 7 2.494 2.005 -2.991 1.00 0.00 C ATOM 95 O ILE A 7 1.379 2.481 -3.079 1.00 0.00 O ATOM 96 CB ILE A 7 3.213 0.065 -1.591 1.00 0.00 C ATOM 97 CG1 ILE A 7 3.442 -1.448 -1.581 1.00 0.00 C ATOM 98 CG2 ILE A 7 2.169 0.431 -0.535 1.00 0.00 C ATOM 99 CD1 ILE A 7 4.084 -1.862 -0.255 1.00 0.00 C ATOM 0 H ILE A 7 4.577 -0.317 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 7 1.778 -0.016 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 7 4.148 0.577 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.495 -1.970 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.086 -1.734 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.525 0.126 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.005 1.509 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.232 -0.080 -0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.246 -2.940 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.040 -1.351 -0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.424 -1.591 0.569 1.00 0.00 H new ATOM 111 N ALA A 8 3.552 2.766 -2.919 1.00 0.00 N ATOM 112 CA ALA A 8 3.411 4.250 -2.943 1.00 0.00 C ATOM 113 C ALA A 8 2.848 4.682 -4.296 1.00 0.00 C ATOM 114 O ALA A 8 1.922 5.464 -4.379 1.00 0.00 O ATOM 115 CB ALA A 8 4.782 4.897 -2.731 1.00 0.00 C ATOM 0 H ALA A 8 4.510 2.423 -2.844 1.00 0.00 H new ATOM 0 HA ALA A 8 2.735 4.565 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.679 5.982 -2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.186 4.586 -1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.459 4.584 -3.526 1.00 0.00 H new ATOM 121 N GLN A 9 3.404 4.170 -5.358 1.00 0.00 N ATOM 122 CA GLN A 9 2.911 4.538 -6.714 1.00 0.00 C ATOM 123 C GLN A 9 1.463 4.074 -6.865 1.00 0.00 C ATOM 124 O GLN A 9 0.617 4.791 -7.355 1.00 0.00 O ATOM 125 CB GLN A 9 3.779 3.840 -7.765 1.00 0.00 C ATOM 126 CG GLN A 9 3.342 4.266 -9.168 1.00 0.00 C ATOM 127 CD GLN A 9 3.224 3.027 -10.056 1.00 0.00 C ATOM 128 OE1 GLN A 9 3.995 2.850 -10.978 1.00 0.00 O ATOM 129 NE2 GLN A 9 2.284 2.156 -9.813 1.00 0.00 N ATOM 0 H GLN A 9 4.182 3.510 -5.345 1.00 0.00 H new ATOM 0 HA GLN A 9 2.964 5.618 -6.849 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.828 4.093 -7.609 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.693 2.758 -7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.386 4.787 -9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.065 4.964 -9.591 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.637 2.306 -9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.195 1.325 -10.397 1.00 0.00 H new ATOM 138 N PHE A 10 1.182 2.880 -6.441 1.00 0.00 N ATOM 139 CA PHE A 10 -0.203 2.348 -6.549 1.00 0.00 C ATOM 140 C PHE A 10 -1.138 3.169 -5.663 1.00 0.00 C ATOM 141 O PHE A 10 -2.213 3.564 -6.068 1.00 0.00 O ATOM 142 CB PHE A 10 -0.206 0.888 -6.088 1.00 0.00 C ATOM 143 CG PHE A 10 -1.569 0.281 -6.310 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.905 -0.243 -7.564 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.493 0.235 -5.261 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.165 -0.815 -7.768 1.00 0.00 C ATOM 147 CE2 PHE A 10 -3.755 -0.334 -5.465 1.00 0.00 C ATOM 148 CZ PHE A 10 -4.091 -0.860 -6.719 1.00 0.00 C ATOM 0 H PHE A 10 1.857 2.242 -6.020 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.546 2.411 -7.582 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.547 0.323 -6.637 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.059 0.831 -5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.191 -0.206 -8.374 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.232 0.639 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.423 -1.222 -8.734 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.470 -0.368 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.064 -1.300 -6.877 1.00 0.00 H new ATOM 158 N VAL A 11 -0.733 3.420 -4.452 1.00 0.00 N ATOM 159 CA VAL A 11 -1.589 4.207 -3.520 1.00 0.00 C ATOM 160 C VAL A 11 -1.662 5.669 -3.972 1.00 0.00 C ATOM 161 O VAL A 11 -2.721 6.259 -4.031 1.00 0.00 O ATOM 162 CB VAL A 11 -0.984 4.144 -2.119 1.00 0.00 C ATOM 163 CG1 VAL A 11 -1.804 5.015 -1.170 1.00 0.00 C ATOM 164 CG2 VAL A 11 -0.994 2.697 -1.623 1.00 0.00 C ATOM 0 H VAL A 11 0.159 3.113 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.595 3.787 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 11 0.043 4.509 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.372 4.970 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.795 6.046 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.831 4.651 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.562 2.652 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.020 2.330 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.407 2.076 -2.300 1.00 0.00 H new ATOM 174 N VAL A 12 -0.539 6.256 -4.281 1.00 0.00 N ATOM 175 CA VAL A 12 -0.522 7.685 -4.714 1.00 0.00 C ATOM 176 C VAL A 12 -1.271 7.859 -6.037 1.00 0.00 C ATOM 177 O VAL A 12 -1.901 8.870 -6.276 1.00 0.00 O ATOM 178 CB VAL A 12 0.924 8.139 -4.888 1.00 0.00 C ATOM 179 CG1 VAL A 12 0.952 9.524 -5.538 1.00 0.00 C ATOM 180 CG2 VAL A 12 1.605 8.205 -3.520 1.00 0.00 C ATOM 0 H VAL A 12 0.375 5.805 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.016 8.288 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 12 1.452 7.429 -5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.986 9.847 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.467 9.478 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.423 10.235 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.638 8.529 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.076 8.914 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.587 7.219 -3.057 1.00 0.00 H new ATOM 190 N GLU A 13 -1.195 6.893 -6.907 1.00 0.00 N ATOM 191 CA GLU A 13 -1.888 7.020 -8.222 1.00 0.00 C ATOM 192 C GLU A 13 -3.360 7.376 -8.005 1.00 0.00 C ATOM 193 O GLU A 13 -3.947 8.119 -8.766 1.00 0.00 O ATOM 194 CB GLU A 13 -1.798 5.689 -8.973 1.00 0.00 C ATOM 195 CG GLU A 13 -2.388 5.842 -10.373 1.00 0.00 C ATOM 196 CD GLU A 13 -2.436 4.474 -11.058 1.00 0.00 C ATOM 197 OE1 GLU A 13 -2.039 3.506 -10.431 1.00 0.00 O ATOM 198 OE2 GLU A 13 -2.870 4.419 -12.198 1.00 0.00 O ATOM 0 H GLU A 13 -0.684 6.021 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.409 7.808 -8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.758 5.369 -9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.335 4.915 -8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.390 6.266 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.784 6.534 -10.960 1.00 0.00 H new ATOM 205 N GLU A 14 -3.962 6.849 -6.978 1.00 0.00 N ATOM 206 CA GLU A 14 -5.398 7.149 -6.718 1.00 0.00 C ATOM 207 C GLU A 14 -5.581 8.619 -6.323 1.00 0.00 C ATOM 208 O GLU A 14 -6.580 9.233 -6.641 1.00 0.00 O ATOM 209 CB GLU A 14 -5.904 6.254 -5.585 1.00 0.00 C ATOM 210 CG GLU A 14 -5.862 4.792 -6.032 1.00 0.00 C ATOM 211 CD GLU A 14 -6.430 3.902 -4.924 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.661 4.413 -3.841 1.00 0.00 O ATOM 213 OE2 GLU A 14 -6.624 2.725 -5.179 1.00 0.00 O ATOM 0 H GLU A 14 -3.522 6.222 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.966 6.958 -7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.288 6.391 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.922 6.533 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.439 4.664 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.837 4.499 -6.258 1.00 0.00 H new ATOM 220 N PHE A 15 -4.643 9.185 -5.612 1.00 0.00 N ATOM 221 CA PHE A 15 -4.798 10.609 -5.183 1.00 0.00 C ATOM 222 C PHE A 15 -4.143 11.553 -6.195 1.00 0.00 C ATOM 223 O PHE A 15 -4.804 12.366 -6.810 1.00 0.00 O ATOM 224 CB PHE A 15 -4.138 10.798 -3.816 1.00 0.00 C ATOM 225 CG PHE A 15 -4.715 9.802 -2.846 1.00 0.00 C ATOM 226 CD1 PHE A 15 -5.879 10.105 -2.130 1.00 0.00 C ATOM 227 CD2 PHE A 15 -4.085 8.568 -2.668 1.00 0.00 C ATOM 228 CE1 PHE A 15 -6.412 9.170 -1.235 1.00 0.00 C ATOM 229 CE2 PHE A 15 -4.615 7.633 -1.775 1.00 0.00 C ATOM 230 CZ PHE A 15 -5.780 7.933 -1.058 1.00 0.00 C ATOM 0 H PHE A 15 -3.782 8.729 -5.311 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.861 10.843 -5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.060 10.662 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.305 11.813 -3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.365 11.059 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.187 8.336 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.310 9.402 -0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.127 6.680 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.191 7.210 -0.369 1.00 0.00 H new ATOM 240 N LEU A 16 -2.848 11.466 -6.358 1.00 0.00 N ATOM 241 CA LEU A 16 -2.151 12.377 -7.315 1.00 0.00 C ATOM 242 C LEU A 16 -1.349 11.562 -8.331 1.00 0.00 C ATOM 243 O LEU A 16 -0.157 11.372 -8.182 1.00 0.00 O ATOM 244 CB LEU A 16 -1.198 13.284 -6.536 1.00 0.00 C ATOM 245 CG LEU A 16 -1.835 14.663 -6.358 1.00 0.00 C ATOM 246 CD1 LEU A 16 -0.969 15.511 -5.426 1.00 0.00 C ATOM 247 CD2 LEU A 16 -1.944 15.354 -7.719 1.00 0.00 C ATOM 0 H LEU A 16 -2.244 10.805 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.893 12.975 -7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.977 12.846 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.251 13.375 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.829 14.549 -5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.424 16.493 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.890 15.020 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.026 15.625 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.398 16.337 -7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.949 15.466 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.562 14.752 -8.384 1.00 0.00 H new ATOM 301 N ALA A 20 4.706 12.599 -10.338 1.00 0.00 N ATOM 302 CA ALA A 20 5.553 11.387 -10.199 1.00 0.00 C ATOM 303 C ALA A 20 5.500 10.918 -8.737 1.00 0.00 C ATOM 304 O ALA A 20 5.897 11.644 -7.847 1.00 0.00 O ATOM 305 CB ALA A 20 6.997 11.731 -10.569 1.00 0.00 C ATOM 0 HA ALA A 20 5.190 10.599 -10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.620 10.842 -10.468 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.034 12.085 -11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.367 12.511 -9.904 1.00 0.00 H new ATOM 311 N PRO A 21 5.003 9.727 -8.465 1.00 0.00 N ATOM 312 CA PRO A 21 4.908 9.222 -7.067 1.00 0.00 C ATOM 313 C PRO A 21 6.288 9.028 -6.436 1.00 0.00 C ATOM 314 O PRO A 21 6.447 9.085 -5.232 1.00 0.00 O ATOM 315 CB PRO A 21 4.153 7.896 -7.184 1.00 0.00 C ATOM 316 CG PRO A 21 4.267 7.475 -8.610 1.00 0.00 C ATOM 317 CD PRO A 21 4.501 8.737 -9.439 1.00 0.00 C ATOM 0 HA PRO A 21 4.397 9.930 -6.415 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.582 7.144 -6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.109 8.016 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.090 6.773 -8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.360 6.965 -8.934 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.224 8.561 -10.236 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.581 9.077 -9.913 1.00 0.00 H new ATOM 325 N ALA A 22 7.290 8.809 -7.243 1.00 0.00 N ATOM 326 CA ALA A 22 8.665 8.622 -6.700 1.00 0.00 C ATOM 327 C ALA A 22 9.177 9.958 -6.161 1.00 0.00 C ATOM 328 O ALA A 22 10.149 10.015 -5.433 1.00 0.00 O ATOM 329 CB ALA A 22 9.591 8.130 -7.814 1.00 0.00 C ATOM 0 H ALA A 22 7.215 8.751 -8.259 1.00 0.00 H new ATOM 0 HA ALA A 22 8.646 7.886 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.597 7.993 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.222 7.181 -8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.615 8.865 -8.618 1.00 0.00 H new ATOM 335 N ASP A 23 8.529 11.035 -6.513 1.00 0.00 N ATOM 336 CA ASP A 23 8.974 12.370 -6.025 1.00 0.00 C ATOM 337 C ASP A 23 8.384 12.615 -4.638 1.00 0.00 C ATOM 338 O ASP A 23 8.567 13.661 -4.048 1.00 0.00 O ATOM 339 CB ASP A 23 8.489 13.457 -6.986 1.00 0.00 C ATOM 340 CG ASP A 23 9.208 13.309 -8.328 1.00 0.00 C ATOM 341 OD1 ASP A 23 8.781 13.942 -9.280 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.173 12.565 -8.382 1.00 0.00 O ATOM 0 H ASP A 23 7.709 11.047 -7.119 1.00 0.00 H new ATOM 0 HA ASP A 23 10.062 12.398 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.411 13.377 -7.128 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.683 14.443 -6.564 1.00 0.00 H new ATOM 347 N VAL A 24 7.683 11.651 -4.112 1.00 0.00 N ATOM 348 CA VAL A 24 7.083 11.816 -2.762 1.00 0.00 C ATOM 349 C VAL A 24 7.946 11.068 -1.748 1.00 0.00 C ATOM 350 O VAL A 24 8.386 9.962 -1.990 1.00 0.00 O ATOM 351 CB VAL A 24 5.666 11.240 -2.754 1.00 0.00 C ATOM 352 CG1 VAL A 24 5.019 11.491 -1.391 1.00 0.00 C ATOM 353 CG2 VAL A 24 4.836 11.918 -3.846 1.00 0.00 C ATOM 0 H VAL A 24 7.500 10.754 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 24 7.037 12.874 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 24 5.709 10.167 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.009 11.080 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.611 11.009 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.975 12.563 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.826 11.509 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.794 12.991 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.296 11.738 -4.817 1.00 0.00 H new ATOM 363 N ASP A 25 8.203 11.663 -0.618 1.00 0.00 N ATOM 364 CA ASP A 25 9.049 10.981 0.398 1.00 0.00 C ATOM 365 C ASP A 25 8.299 9.771 0.957 1.00 0.00 C ATOM 366 O ASP A 25 7.607 9.860 1.950 1.00 0.00 O ATOM 367 CB ASP A 25 9.364 11.958 1.533 1.00 0.00 C ATOM 368 CG ASP A 25 10.234 13.097 1.001 1.00 0.00 C ATOM 369 OD1 ASP A 25 10.371 14.089 1.699 1.00 0.00 O ATOM 370 OD2 ASP A 25 10.750 12.959 -0.096 1.00 0.00 O ATOM 0 H ASP A 25 7.865 12.589 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 25 9.978 10.648 -0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.439 12.357 1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.880 11.439 2.341 1.00 0.00 H new ATOM 375 N VAL A 26 8.432 8.638 0.321 1.00 0.00 N ATOM 376 CA VAL A 26 7.726 7.419 0.813 1.00 0.00 C ATOM 377 C VAL A 26 8.261 7.039 2.197 1.00 0.00 C ATOM 378 O VAL A 26 7.819 6.080 2.798 1.00 0.00 O ATOM 379 CB VAL A 26 7.966 6.265 -0.161 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.543 6.688 -1.568 1.00 0.00 C ATOM 381 CG2 VAL A 26 9.452 5.902 -0.164 1.00 0.00 C ATOM 0 H VAL A 26 8.998 8.504 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 26 6.657 7.622 0.882 1.00 0.00 H new ATOM 0 HB VAL A 26 7.380 5.400 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.714 5.865 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.484 6.948 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.128 7.553 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.624 5.079 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.037 6.767 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.755 5.600 0.839 1.00 0.00 H new ATOM 391 N ASP A 27 9.199 7.786 2.712 1.00 0.00 N ATOM 392 CA ASP A 27 9.746 7.468 4.057 1.00 0.00 C ATOM 393 C ASP A 27 8.905 8.182 5.117 1.00 0.00 C ATOM 394 O ASP A 27 9.231 8.192 6.287 1.00 0.00 O ATOM 395 CB ASP A 27 11.199 7.943 4.135 1.00 0.00 C ATOM 396 CG ASP A 27 11.262 9.468 4.007 1.00 0.00 C ATOM 397 OD1 ASP A 27 12.346 9.978 3.777 1.00 0.00 O ATOM 398 OD2 ASP A 27 10.228 10.101 4.141 1.00 0.00 O ATOM 0 H ASP A 27 9.609 8.602 2.258 1.00 0.00 H new ATOM 0 HA ASP A 27 9.712 6.393 4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.641 7.631 5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.784 7.479 3.341 1.00 0.00 H new ATOM 403 N LEU A 28 7.823 8.780 4.704 1.00 0.00 N ATOM 404 CA LEU A 28 6.943 9.504 5.664 1.00 0.00 C ATOM 405 C LEU A 28 5.788 8.599 6.077 1.00 0.00 C ATOM 406 O LEU A 28 5.245 7.866 5.273 1.00 0.00 O ATOM 407 CB LEU A 28 6.378 10.755 4.992 1.00 0.00 C ATOM 408 CG LEU A 28 5.545 11.552 5.998 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.276 12.846 6.357 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.184 11.885 5.381 1.00 0.00 C ATOM 0 H LEU A 28 7.508 8.799 3.734 1.00 0.00 H new ATOM 0 HA LEU A 28 7.523 9.786 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.191 11.372 4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.762 10.474 4.138 1.00 0.00 H new ATOM 0 HG LEU A 28 5.399 10.959 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.682 13.413 7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.244 12.607 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.424 13.442 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.589 12.453 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.329 12.478 4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.663 10.961 5.128 1.00 0.00 H new ATOM 422 N ASP A 29 5.396 8.650 7.318 1.00 0.00 N ATOM 423 CA ASP A 29 4.266 7.795 7.754 1.00 0.00 C ATOM 424 C ASP A 29 3.037 8.183 6.937 1.00 0.00 C ATOM 425 O ASP A 29 2.618 9.324 6.930 1.00 0.00 O ATOM 426 CB ASP A 29 3.991 8.026 9.243 1.00 0.00 C ATOM 427 CG ASP A 29 5.173 7.510 10.066 1.00 0.00 C ATOM 428 OD1 ASP A 29 6.002 6.814 9.504 1.00 0.00 O ATOM 429 OD2 ASP A 29 5.229 7.820 11.245 1.00 0.00 O ATOM 0 H ASP A 29 5.806 9.241 8.041 1.00 0.00 H new ATOM 0 HA ASP A 29 4.505 6.743 7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.837 9.088 9.435 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.076 7.512 9.539 1.00 0.00 H new ATOM 434 N LEU A 30 2.466 7.251 6.229 1.00 0.00 N ATOM 435 CA LEU A 30 1.282 7.581 5.394 1.00 0.00 C ATOM 436 C LEU A 30 0.084 7.904 6.290 1.00 0.00 C ATOM 437 O LEU A 30 -1.013 8.122 5.815 1.00 0.00 O ATOM 438 CB LEU A 30 0.945 6.395 4.486 1.00 0.00 C ATOM 439 CG LEU A 30 0.429 5.228 5.330 1.00 0.00 C ATOM 440 CD1 LEU A 30 -1.074 5.054 5.100 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.155 3.947 4.920 1.00 0.00 C ATOM 0 H LEU A 30 2.768 6.277 6.193 1.00 0.00 H new ATOM 0 HA LEU A 30 1.510 8.452 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.192 6.688 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.830 6.089 3.928 1.00 0.00 H new ATOM 0 HG LEU A 30 0.614 5.433 6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.440 4.222 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.594 5.967 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.259 4.848 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.789 3.114 5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.968 3.745 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.226 4.068 5.082 1.00 0.00 H new ATOM 453 N VAL A 31 0.279 7.945 7.580 1.00 0.00 N ATOM 454 CA VAL A 31 -0.863 8.260 8.482 1.00 0.00 C ATOM 455 C VAL A 31 -1.541 9.531 7.980 1.00 0.00 C ATOM 456 O VAL A 31 -2.750 9.647 7.988 1.00 0.00 O ATOM 457 CB VAL A 31 -0.351 8.474 9.908 1.00 0.00 C ATOM 458 CG1 VAL A 31 0.330 9.840 10.007 1.00 0.00 C ATOM 459 CG2 VAL A 31 -1.529 8.421 10.884 1.00 0.00 C ATOM 0 H VAL A 31 1.171 7.776 8.044 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.575 7.435 8.485 1.00 0.00 H new ATOM 0 HB VAL A 31 0.366 7.692 10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.695 9.992 11.023 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.168 9.880 9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.387 10.623 9.758 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.166 8.573 11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.245 9.204 10.633 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.016 7.448 10.814 1.00 0.00 H new ATOM 469 N ASP A 32 -0.773 10.477 7.515 1.00 0.00 N ATOM 470 CA ASP A 32 -1.380 11.725 6.982 1.00 0.00 C ATOM 471 C ASP A 32 -2.319 11.333 5.844 1.00 0.00 C ATOM 472 O ASP A 32 -3.370 11.913 5.653 1.00 0.00 O ATOM 473 CB ASP A 32 -0.282 12.650 6.452 1.00 0.00 C ATOM 474 CG ASP A 32 0.577 13.144 7.618 1.00 0.00 C ATOM 475 OD1 ASP A 32 1.629 13.704 7.357 1.00 0.00 O ATOM 476 OD2 ASP A 32 0.168 12.954 8.751 1.00 0.00 O ATOM 0 H ASP A 32 0.246 10.439 7.482 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.926 12.251 7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.338 12.119 5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.726 13.497 5.929 1.00 0.00 H new ATOM 481 N ASN A 33 -1.942 10.331 5.099 1.00 0.00 N ATOM 482 CA ASN A 33 -2.795 9.857 3.978 1.00 0.00 C ATOM 483 C ASN A 33 -3.833 8.884 4.534 1.00 0.00 C ATOM 484 O ASN A 33 -4.449 8.132 3.805 1.00 0.00 O ATOM 485 CB ASN A 33 -1.929 9.145 2.942 1.00 0.00 C ATOM 486 CG ASN A 33 -0.859 10.108 2.427 1.00 0.00 C ATOM 487 OD1 ASN A 33 0.388 9.901 2.742 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 -1.161 11.060 1.735 1.00 0.00 N flip ATOM 0 H ASN A 33 -1.070 9.816 5.222 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.293 10.703 3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.460 8.266 3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.546 8.794 2.115 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.137 11.222 1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.438 11.697 1.401 1.00 0.00 H new ATOM 495 N GLY A 34 -4.019 8.894 5.828 1.00 0.00 N ATOM 496 CA GLY A 34 -5.010 7.975 6.458 1.00 0.00 C ATOM 497 C GLY A 34 -6.286 7.952 5.619 1.00 0.00 C ATOM 498 O GLY A 34 -7.125 7.090 5.770 1.00 0.00 O ATOM 0 H GLY A 34 -3.523 9.503 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.594 6.971 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.235 8.305 7.472 1.00 0.00 H new ATOM 502 N VAL A 35 -6.439 8.891 4.732 1.00 0.00 N ATOM 503 CA VAL A 35 -7.661 8.914 3.883 1.00 0.00 C ATOM 504 C VAL A 35 -7.848 7.536 3.247 1.00 0.00 C ATOM 505 O VAL A 35 -8.953 7.058 3.084 1.00 0.00 O ATOM 506 CB VAL A 35 -7.494 9.964 2.783 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.625 9.825 1.762 1.00 0.00 C ATOM 508 CG2 VAL A 35 -7.536 11.363 3.402 1.00 0.00 C ATOM 0 H VAL A 35 -5.773 9.643 4.557 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.531 9.162 4.491 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.536 9.814 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.503 10.574 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.595 8.830 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.584 9.972 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.417 12.111 2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.493 11.511 3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.728 11.465 4.127 1.00 0.00 H new ATOM 518 N ILE A 36 -6.771 6.894 2.885 1.00 0.00 N ATOM 519 CA ILE A 36 -6.874 5.548 2.255 1.00 0.00 C ATOM 520 C ILE A 36 -7.320 4.515 3.292 1.00 0.00 C ATOM 521 O ILE A 36 -7.813 3.456 2.959 1.00 0.00 O ATOM 522 CB ILE A 36 -5.502 5.133 1.723 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.678 4.117 0.593 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.703 4.489 2.857 1.00 0.00 C ATOM 525 CD1 ILE A 36 -4.361 3.372 0.359 1.00 0.00 C ATOM 0 H ILE A 36 -5.820 7.246 2.999 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.601 5.594 1.444 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.975 6.009 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.467 3.409 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.987 4.625 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.722 4.190 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.581 5.206 3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.235 3.612 3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.490 2.649 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.583 4.085 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.071 2.851 1.271 1.00 0.00 H new ATOM 537 N ASP A 37 -7.118 4.802 4.547 1.00 0.00 N ATOM 538 CA ASP A 37 -7.491 3.828 5.610 1.00 0.00 C ATOM 539 C ASP A 37 -8.963 3.427 5.497 1.00 0.00 C ATOM 540 O ASP A 37 -9.329 2.324 5.852 1.00 0.00 O ATOM 541 CB ASP A 37 -7.247 4.449 6.986 1.00 0.00 C ATOM 542 CG ASP A 37 -5.753 4.729 7.164 1.00 0.00 C ATOM 543 OD1 ASP A 37 -4.974 4.188 6.396 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.414 5.479 8.064 1.00 0.00 O ATOM 0 H ASP A 37 -6.709 5.673 4.884 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.875 2.938 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.815 5.374 7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.597 3.775 7.768 1.00 0.00 H new ATOM 549 N SER A 38 -9.817 4.308 5.043 1.00 0.00 N ATOM 550 CA SER A 38 -11.266 3.953 4.958 1.00 0.00 C ATOM 551 C SER A 38 -11.766 3.974 3.509 1.00 0.00 C ATOM 552 O SER A 38 -12.174 2.964 2.975 1.00 0.00 O ATOM 553 CB SER A 38 -12.071 4.957 5.783 1.00 0.00 C ATOM 554 OG SER A 38 -12.923 4.247 6.692 1.00 0.00 O ATOM 0 H SER A 38 -9.578 5.249 4.730 1.00 0.00 H new ATOM 0 HA SER A 38 -11.396 2.943 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.399 5.614 6.334 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.668 5.590 5.126 1.00 0.00 H new ATOM 0 HG SER A 38 -13.440 4.888 7.224 1.00 0.00 H new ATOM 559 N LEU A 39 -11.768 5.111 2.875 1.00 0.00 N ATOM 560 CA LEU A 39 -12.278 5.180 1.477 1.00 0.00 C ATOM 561 C LEU A 39 -11.388 4.369 0.541 1.00 0.00 C ATOM 562 O LEU A 39 -11.853 3.529 -0.204 1.00 0.00 O ATOM 563 CB LEU A 39 -12.306 6.632 1.018 1.00 0.00 C ATOM 564 CG LEU A 39 -12.868 6.707 -0.398 1.00 0.00 C ATOM 565 CD1 LEU A 39 -14.287 6.138 -0.424 1.00 0.00 C ATOM 566 CD2 LEU A 39 -12.904 8.164 -0.839 1.00 0.00 C ATOM 0 H LEU A 39 -11.439 5.995 3.263 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.285 4.764 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.918 7.227 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.301 7.052 1.044 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.237 6.127 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.683 6.194 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.268 5.098 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.923 6.716 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.304 8.228 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.539 8.734 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.894 8.574 -0.822 1.00 0.00 H new ATOM 578 N GLY A 40 -10.114 4.612 0.572 1.00 0.00 N ATOM 579 CA GLY A 40 -9.193 3.859 -0.317 1.00 0.00 C ATOM 580 C GLY A 40 -9.121 2.403 0.133 1.00 0.00 C ATOM 581 O GLY A 40 -8.999 1.499 -0.670 1.00 0.00 O ATOM 0 H GLY A 40 -9.667 5.302 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.541 3.914 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.200 4.307 -0.292 1.00 0.00 H new ATOM 585 N LEU A 41 -9.179 2.167 1.414 1.00 0.00 N ATOM 586 CA LEU A 41 -9.097 0.766 1.908 1.00 0.00 C ATOM 587 C LEU A 41 -10.225 -0.055 1.286 1.00 0.00 C ATOM 588 O LEU A 41 -10.029 -1.179 0.872 1.00 0.00 O ATOM 589 CB LEU A 41 -9.237 0.745 3.431 1.00 0.00 C ATOM 590 CG LEU A 41 -8.920 -0.664 3.944 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.403 -0.884 3.957 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.469 -0.839 5.362 1.00 0.00 C ATOM 0 H LEU A 41 -9.279 2.880 2.136 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.133 0.341 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.559 1.470 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.248 1.032 3.720 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.388 -1.393 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.184 -1.887 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.010 -0.772 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.934 -0.149 4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.240 -1.843 5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.009 -0.104 6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.549 -0.695 5.354 1.00 0.00 H new ATOM 604 N LEU A 42 -11.402 0.499 1.201 1.00 0.00 N ATOM 605 CA LEU A 42 -12.526 -0.256 0.587 1.00 0.00 C ATOM 606 C LEU A 42 -12.186 -0.545 -0.872 1.00 0.00 C ATOM 607 O LEU A 42 -12.367 -1.644 -1.357 1.00 0.00 O ATOM 608 CB LEU A 42 -13.807 0.574 0.662 1.00 0.00 C ATOM 609 CG LEU A 42 -14.264 0.697 2.113 1.00 0.00 C ATOM 610 CD1 LEU A 42 -15.491 1.607 2.187 1.00 0.00 C ATOM 611 CD2 LEU A 42 -14.628 -0.687 2.641 1.00 0.00 C ATOM 0 H LEU A 42 -11.632 1.437 1.529 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.679 -1.192 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.634 1.564 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.589 0.106 0.064 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.461 1.122 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.817 1.695 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.235 2.594 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.296 1.182 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.955 -0.606 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.433 -1.106 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.756 -1.339 2.586 1.00 0.00 H new ATOM 623 N LYS A 43 -11.671 0.429 -1.571 1.00 0.00 N ATOM 624 CA LYS A 43 -11.299 0.196 -2.990 1.00 0.00 C ATOM 625 C LYS A 43 -10.189 -0.854 -3.034 1.00 0.00 C ATOM 626 O LYS A 43 -10.137 -1.691 -3.914 1.00 0.00 O ATOM 627 CB LYS A 43 -10.802 1.502 -3.604 1.00 0.00 C ATOM 628 CG LYS A 43 -11.947 2.516 -3.650 1.00 0.00 C ATOM 629 CD LYS A 43 -11.480 3.781 -4.373 1.00 0.00 C ATOM 630 CE LYS A 43 -12.586 4.836 -4.320 1.00 0.00 C ATOM 631 NZ LYS A 43 -12.170 5.947 -3.417 1.00 0.00 N ATOM 0 H LYS A 43 -11.493 1.370 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.163 -0.155 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.974 1.900 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.422 1.321 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.807 2.087 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.271 2.761 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.573 4.166 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.232 3.550 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.784 5.221 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.513 4.389 -3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.007 6.337 -2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.502 5.585 -2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.711 6.695 -3.975 1.00 0.00 H new ATOM 645 N VAL A 44 -9.307 -0.810 -2.076 1.00 0.00 N ATOM 646 CA VAL A 44 -8.189 -1.794 -2.020 1.00 0.00 C ATOM 647 C VAL A 44 -8.750 -3.203 -1.812 1.00 0.00 C ATOM 648 O VAL A 44 -8.253 -4.167 -2.359 1.00 0.00 O ATOM 649 CB VAL A 44 -7.262 -1.434 -0.857 1.00 0.00 C ATOM 650 CG1 VAL A 44 -6.241 -2.552 -0.651 1.00 0.00 C ATOM 651 CG2 VAL A 44 -6.530 -0.128 -1.176 1.00 0.00 C ATOM 0 H VAL A 44 -9.313 -0.126 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.632 -1.767 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.851 -1.310 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.581 -2.294 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.761 -3.483 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.651 -2.678 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.869 0.130 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.942 -0.253 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.257 0.671 -1.322 1.00 0.00 H new ATOM 661 N ILE A 45 -9.772 -3.330 -1.011 1.00 0.00 N ATOM 662 CA ILE A 45 -10.355 -4.674 -0.747 1.00 0.00 C ATOM 663 C ILE A 45 -10.776 -5.329 -2.065 1.00 0.00 C ATOM 664 O ILE A 45 -10.419 -6.456 -2.347 1.00 0.00 O ATOM 665 CB ILE A 45 -11.583 -4.505 0.160 1.00 0.00 C ATOM 666 CG1 ILE A 45 -11.192 -4.758 1.620 1.00 0.00 C ATOM 667 CG2 ILE A 45 -12.687 -5.481 -0.250 1.00 0.00 C ATOM 668 CD1 ILE A 45 -10.304 -3.617 2.115 1.00 0.00 C ATOM 0 H ILE A 45 -10.229 -2.558 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.614 -5.309 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.955 -3.486 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.086 -4.832 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.664 -5.708 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -13.550 -5.349 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.979 -5.287 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -12.320 -6.503 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.026 -3.797 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.404 -3.564 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.848 -2.675 2.043 1.00 0.00 H new ATOM 680 N ALA A 46 -11.526 -4.640 -2.875 1.00 0.00 N ATOM 681 CA ALA A 46 -11.957 -5.240 -4.167 1.00 0.00 C ATOM 682 C ALA A 46 -10.743 -5.422 -5.082 1.00 0.00 C ATOM 683 O ALA A 46 -10.627 -6.401 -5.790 1.00 0.00 O ATOM 684 CB ALA A 46 -12.972 -4.317 -4.845 1.00 0.00 C ATOM 0 H ALA A 46 -11.859 -3.692 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.416 -6.211 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.288 -4.756 -5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.839 -4.191 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.513 -3.346 -5.031 1.00 0.00 H new ATOM 690 N TRP A 47 -9.844 -4.478 -5.079 1.00 0.00 N ATOM 691 CA TRP A 47 -8.643 -4.581 -5.957 1.00 0.00 C ATOM 692 C TRP A 47 -7.729 -5.721 -5.507 1.00 0.00 C ATOM 693 O TRP A 47 -7.216 -6.468 -6.315 1.00 0.00 O ATOM 694 CB TRP A 47 -7.859 -3.273 -5.889 1.00 0.00 C ATOM 695 CG TRP A 47 -6.520 -3.467 -6.525 1.00 0.00 C ATOM 696 CD1 TRP A 47 -6.297 -3.548 -7.856 1.00 0.00 C ATOM 697 CD2 TRP A 47 -5.220 -3.609 -5.881 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.943 -3.730 -8.071 1.00 0.00 N ATOM 699 CE2 TRP A 47 -4.238 -3.773 -6.885 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.803 -3.609 -4.539 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -2.887 -3.932 -6.569 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -3.444 -3.769 -4.216 1.00 0.00 C ATOM 703 CH2 TRP A 47 -2.489 -3.930 -5.230 1.00 0.00 C ATOM 0 H TRP A 47 -9.889 -3.636 -4.505 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.979 -4.779 -6.975 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.406 -2.481 -6.400 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.740 -2.960 -4.852 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.052 -3.481 -8.625 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.517 -3.821 -8.993 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.531 -3.485 -3.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.156 -4.056 -7.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.134 -3.768 -3.181 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.446 -4.052 -4.976 1.00 0.00 H new ATOM 714 N LEU A 48 -7.490 -5.841 -4.233 1.00 0.00 N ATOM 715 CA LEU A 48 -6.571 -6.911 -3.758 1.00 0.00 C ATOM 716 C LEU A 48 -7.140 -8.286 -4.116 1.00 0.00 C ATOM 717 O LEU A 48 -6.458 -9.123 -4.672 1.00 0.00 O ATOM 718 CB LEU A 48 -6.418 -6.792 -2.235 1.00 0.00 C ATOM 719 CG LEU A 48 -5.095 -7.413 -1.771 1.00 0.00 C ATOM 720 CD1 LEU A 48 -5.006 -8.868 -2.232 1.00 0.00 C ATOM 721 CD2 LEU A 48 -3.927 -6.619 -2.359 1.00 0.00 C ATOM 0 H LEU A 48 -7.888 -5.249 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.599 -6.800 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.455 -5.743 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.252 -7.290 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.050 -7.383 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.062 -9.299 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.835 -9.435 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.057 -8.909 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.986 -7.059 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.980 -6.646 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.982 -5.585 -2.019 1.00 0.00 H new ATOM 733 N GLU A 49 -8.382 -8.526 -3.818 1.00 0.00 N ATOM 734 CA GLU A 49 -8.979 -9.845 -4.157 1.00 0.00 C ATOM 735 C GLU A 49 -9.109 -9.968 -5.674 1.00 0.00 C ATOM 736 O GLU A 49 -8.887 -11.014 -6.245 1.00 0.00 O ATOM 737 CB GLU A 49 -10.356 -9.964 -3.489 1.00 0.00 C ATOM 738 CG GLU A 49 -11.051 -11.253 -3.928 1.00 0.00 C ATOM 739 CD GLU A 49 -12.432 -11.334 -3.276 1.00 0.00 C ATOM 740 OE1 GLU A 49 -12.793 -10.399 -2.580 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.106 -12.330 -3.484 1.00 0.00 O ATOM 0 H GLU A 49 -9.010 -7.868 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.339 -10.649 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.243 -9.955 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.971 -9.104 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.147 -11.275 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.451 -12.117 -3.643 1.00 0.00 H new ATOM 748 N ASP A 50 -9.473 -8.909 -6.331 1.00 0.00 N ATOM 749 CA ASP A 50 -9.627 -8.961 -7.811 1.00 0.00 C ATOM 750 C ASP A 50 -8.284 -9.232 -8.497 1.00 0.00 C ATOM 751 O ASP A 50 -8.206 -9.982 -9.450 1.00 0.00 O ATOM 752 CB ASP A 50 -10.166 -7.619 -8.294 1.00 0.00 C ATOM 753 CG ASP A 50 -10.409 -7.676 -9.803 1.00 0.00 C ATOM 754 OD1 ASP A 50 -10.739 -6.647 -10.370 1.00 0.00 O ATOM 755 OD2 ASP A 50 -10.264 -8.749 -10.367 1.00 0.00 O ATOM 0 H ASP A 50 -9.672 -8.003 -5.907 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.313 -9.770 -8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.094 -7.381 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.457 -6.825 -8.060 1.00 0.00 H new ATOM 760 N ARG A 51 -7.239 -8.597 -8.051 1.00 0.00 N ATOM 761 CA ARG A 51 -5.914 -8.783 -8.712 1.00 0.00 C ATOM 762 C ARG A 51 -5.311 -10.165 -8.416 1.00 0.00 C ATOM 763 O ARG A 51 -4.838 -10.837 -9.311 1.00 0.00 O ATOM 764 CB ARG A 51 -4.953 -7.696 -8.228 1.00 0.00 C ATOM 765 CG ARG A 51 -3.701 -7.698 -9.107 1.00 0.00 C ATOM 766 CD ARG A 51 -2.731 -6.619 -8.618 1.00 0.00 C ATOM 767 NE ARG A 51 -1.611 -6.480 -9.593 1.00 0.00 N ATOM 768 CZ ARG A 51 -0.749 -7.448 -9.742 1.00 0.00 C ATOM 769 NH1 ARG A 51 0.226 -7.324 -10.600 1.00 0.00 N ATOM 770 NH2 ARG A 51 -0.858 -8.536 -9.032 1.00 0.00 N ATOM 0 H ARG A 51 -7.242 -7.956 -7.257 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.064 -8.711 -9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.438 -6.721 -8.269 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.681 -7.873 -7.187 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.221 -8.676 -9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.973 -7.513 -10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.253 -5.668 -8.509 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.341 -6.883 -7.635 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.519 -5.627 -10.144 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.313 -6.471 -11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.901 -8.080 -10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.618 -8.632 -8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.183 -9.292 -9.150 1.00 0.00 H new ATOM 784 N PHE A 52 -5.286 -10.586 -7.176 1.00 0.00 N ATOM 785 CA PHE A 52 -4.668 -11.907 -6.856 1.00 0.00 C ATOM 786 C PHE A 52 -5.730 -12.979 -6.580 1.00 0.00 C ATOM 787 O PHE A 52 -5.407 -14.139 -6.414 1.00 0.00 O ATOM 788 CB PHE A 52 -3.781 -11.748 -5.623 1.00 0.00 C ATOM 789 CG PHE A 52 -2.584 -10.894 -5.965 1.00 0.00 C ATOM 790 CD1 PHE A 52 -2.579 -9.532 -5.639 1.00 0.00 C ATOM 791 CD2 PHE A 52 -1.478 -11.462 -6.606 1.00 0.00 C ATOM 792 CE1 PHE A 52 -1.468 -8.740 -5.953 1.00 0.00 C ATOM 793 CE2 PHE A 52 -0.367 -10.671 -6.921 1.00 0.00 C ATOM 794 CZ PHE A 52 -0.362 -9.310 -6.594 1.00 0.00 C ATOM 0 H PHE A 52 -5.664 -10.076 -6.378 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.083 -12.230 -7.717 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.347 -11.290 -4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.453 -12.726 -5.270 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.433 -9.092 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.481 -12.512 -6.858 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.464 -7.690 -5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.486 -11.111 -7.416 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.495 -8.700 -6.836 1.00 0.00 H new ATOM 804 N GLY A 53 -6.983 -12.626 -6.527 1.00 0.00 N ATOM 805 CA GLY A 53 -8.020 -13.665 -6.258 1.00 0.00 C ATOM 806 C GLY A 53 -7.928 -14.112 -4.796 1.00 0.00 C ATOM 807 O GLY A 53 -8.214 -15.245 -4.465 1.00 0.00 O ATOM 0 H GLY A 53 -7.333 -11.677 -6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.013 -13.265 -6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.875 -14.519 -6.920 1.00 0.00 H new ATOM 811 N ILE A 54 -7.522 -13.232 -3.920 1.00 0.00 N ATOM 812 CA ILE A 54 -7.401 -13.604 -2.481 1.00 0.00 C ATOM 813 C ILE A 54 -8.548 -12.967 -1.695 1.00 0.00 C ATOM 814 O ILE A 54 -8.946 -11.852 -1.962 1.00 0.00 O ATOM 815 CB ILE A 54 -6.070 -13.085 -1.941 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.928 -13.625 -2.803 1.00 0.00 C ATOM 817 CG2 ILE A 54 -5.886 -13.557 -0.498 1.00 0.00 C ATOM 818 CD1 ILE A 54 -3.647 -12.855 -2.484 1.00 0.00 C ATOM 0 H ILE A 54 -7.268 -12.269 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.445 -14.688 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.065 -11.995 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.784 -14.688 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.174 -13.522 -3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.936 -13.187 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.701 -13.175 0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.890 -14.647 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.831 -13.237 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.796 -11.797 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.400 -12.981 -1.430 1.00 0.00 H new ATOM 830 N ALA A 55 -9.085 -13.657 -0.728 1.00 0.00 N ATOM 831 CA ALA A 55 -10.207 -13.067 0.053 1.00 0.00 C ATOM 832 C ALA A 55 -9.717 -11.795 0.742 1.00 0.00 C ATOM 833 O ALA A 55 -8.762 -11.808 1.493 1.00 0.00 O ATOM 834 CB ALA A 55 -10.682 -14.070 1.105 1.00 0.00 C ATOM 0 H ALA A 55 -8.799 -14.595 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.036 -12.829 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.503 -13.637 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.023 -14.980 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.859 -14.309 1.778 1.00 0.00 H new ATOM 840 N ALA A 56 -10.362 -10.692 0.480 1.00 0.00 N ATOM 841 CA ALA A 56 -9.936 -9.410 1.104 1.00 0.00 C ATOM 842 C ALA A 56 -10.198 -9.445 2.612 1.00 0.00 C ATOM 843 O ALA A 56 -9.478 -8.852 3.390 1.00 0.00 O ATOM 844 CB ALA A 56 -10.728 -8.260 0.483 1.00 0.00 C ATOM 0 H ALA A 56 -11.168 -10.624 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.870 -9.266 0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.419 -7.319 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.538 -8.225 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.793 -8.415 0.658 1.00 0.00 H new ATOM 924 N SER A 62 -4.785 -4.029 11.638 1.00 0.00 N ATOM 925 CA SER A 62 -5.059 -2.955 12.633 1.00 0.00 C ATOM 926 C SER A 62 -4.594 -1.611 12.066 1.00 0.00 C ATOM 927 O SER A 62 -3.775 -1.558 11.170 1.00 0.00 O ATOM 928 CB SER A 62 -4.301 -3.252 13.927 1.00 0.00 C ATOM 929 OG SER A 62 -3.381 -4.312 13.700 1.00 0.00 O ATOM 0 HA SER A 62 -6.128 -2.914 12.842 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.771 -2.361 14.264 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.000 -3.525 14.717 1.00 0.00 H new ATOM 0 HG SER A 62 -3.654 -4.818 12.906 1.00 0.00 H new ATOM 935 N PRO A 63 -5.114 -0.533 12.590 1.00 0.00 N ATOM 936 CA PRO A 63 -4.750 0.841 12.134 1.00 0.00 C ATOM 937 C PRO A 63 -3.248 1.106 12.258 1.00 0.00 C ATOM 938 O PRO A 63 -2.666 1.833 11.477 1.00 0.00 O ATOM 939 CB PRO A 63 -5.537 1.772 13.066 1.00 0.00 C ATOM 940 CG PRO A 63 -6.014 0.921 14.200 1.00 0.00 C ATOM 941 CD PRO A 63 -6.102 -0.507 13.671 1.00 0.00 C ATOM 0 HA PRO A 63 -4.988 0.990 11.081 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.907 2.585 13.427 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.377 2.229 12.542 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.326 0.979 15.043 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.986 1.262 14.557 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.868 -1.237 14.446 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.103 -0.739 13.306 1.00 0.00 H new ATOM 949 N GLU A 64 -2.615 0.513 13.232 1.00 0.00 N ATOM 950 CA GLU A 64 -1.150 0.717 13.410 1.00 0.00 C ATOM 951 C GLU A 64 -0.402 0.114 12.221 1.00 0.00 C ATOM 952 O GLU A 64 0.704 0.507 11.904 1.00 0.00 O ATOM 953 CB GLU A 64 -0.695 0.034 14.699 1.00 0.00 C ATOM 954 CG GLU A 64 -1.358 0.705 15.896 1.00 0.00 C ATOM 955 CD GLU A 64 -0.848 0.066 17.189 1.00 0.00 C ATOM 956 OE1 GLU A 64 -0.164 -0.940 17.101 1.00 0.00 O ATOM 957 OE2 GLU A 64 -1.151 0.594 18.247 1.00 0.00 O ATOM 0 H GLU A 64 -3.051 -0.107 13.915 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.936 1.784 13.469 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.955 -1.024 14.673 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.389 0.094 14.791 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.139 1.773 15.895 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.441 0.602 15.830 1.00 0.00 H new ATOM 964 N HIS A 65 -0.993 -0.847 11.566 1.00 0.00 N ATOM 965 CA HIS A 65 -0.319 -1.491 10.402 1.00 0.00 C ATOM 966 C HIS A 65 -0.195 -0.491 9.252 1.00 0.00 C ATOM 967 O HIS A 65 0.685 -0.597 8.420 1.00 0.00 O ATOM 968 CB HIS A 65 -1.146 -2.694 9.944 1.00 0.00 C ATOM 969 CG HIS A 65 -0.444 -3.387 8.810 1.00 0.00 C ATOM 970 ND1 HIS A 65 0.756 -4.062 8.983 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.762 -3.523 7.481 1.00 0.00 C ATOM 972 CE1 HIS A 65 1.112 -4.570 7.787 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.221 -4.269 6.842 1.00 0.00 N ATOM 0 H HIS A 65 -1.918 -1.216 11.787 1.00 0.00 H new ATOM 0 HA HIS A 65 0.678 -1.819 10.698 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.289 -3.386 10.774 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.136 -2.368 9.627 1.00 0.00 H new ATOM 0 HD1 HIS A 65 1.274 -4.156 9.856 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.641 -3.113 7.006 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.007 -5.149 7.615 1.00 0.00 H new ATOM 982 N PHE A 66 -1.068 0.476 9.190 1.00 0.00 N ATOM 983 CA PHE A 66 -0.996 1.473 8.085 1.00 0.00 C ATOM 984 C PHE A 66 -0.214 2.700 8.557 1.00 0.00 C ATOM 985 O PHE A 66 -0.124 3.696 7.866 1.00 0.00 O ATOM 986 CB PHE A 66 -2.414 1.888 7.691 1.00 0.00 C ATOM 987 CG PHE A 66 -3.191 0.664 7.267 1.00 0.00 C ATOM 988 CD1 PHE A 66 -3.147 0.232 5.936 1.00 0.00 C ATOM 989 CD2 PHE A 66 -3.951 -0.039 8.208 1.00 0.00 C ATOM 990 CE1 PHE A 66 -3.865 -0.906 5.548 1.00 0.00 C ATOM 991 CE2 PHE A 66 -4.670 -1.176 7.819 1.00 0.00 C ATOM 992 CZ PHE A 66 -4.626 -1.609 6.490 1.00 0.00 C ATOM 0 H PHE A 66 -1.827 0.619 9.856 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.492 1.034 7.224 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.910 2.375 8.531 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.381 2.612 6.877 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.560 0.775 5.210 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.983 0.295 9.234 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.832 -1.241 4.522 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.258 -1.718 8.545 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.180 -2.486 6.190 1.00 0.00 H new ATOM 1002 N ARG A 67 0.349 2.639 9.733 1.00 0.00 N ATOM 1003 CA ARG A 67 1.120 3.803 10.255 1.00 0.00 C ATOM 1004 C ARG A 67 2.228 4.175 9.264 1.00 0.00 C ATOM 1005 O ARG A 67 2.501 5.337 9.039 1.00 0.00 O ATOM 1006 CB ARG A 67 1.742 3.432 11.607 1.00 0.00 C ATOM 1007 CG ARG A 67 2.428 4.650 12.234 1.00 0.00 C ATOM 1008 CD ARG A 67 1.393 5.530 12.944 1.00 0.00 C ATOM 1009 NE ARG A 67 2.077 6.706 13.552 1.00 0.00 N ATOM 1010 CZ ARG A 67 1.525 7.334 14.554 1.00 0.00 C ATOM 1011 NH1 ARG A 67 2.122 8.365 15.087 1.00 0.00 N ATOM 1012 NH2 ARG A 67 0.375 6.933 15.023 1.00 0.00 N ATOM 0 H ARG A 67 0.308 1.832 10.356 1.00 0.00 H new ATOM 0 HA ARG A 67 0.452 4.655 10.381 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.970 3.056 12.278 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.466 2.628 11.473 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.188 4.324 12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.939 5.226 11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.635 5.863 12.235 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.879 4.956 13.715 1.00 0.00 H new ATOM 0 HE ARG A 67 2.976 7.020 13.185 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.020 8.680 14.720 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.690 8.856 15.870 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.093 6.128 14.606 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.056 7.424 15.806 1.00 0.00 H new ATOM 1026 N SER A 68 2.874 3.203 8.674 1.00 0.00 N ATOM 1027 CA SER A 68 3.966 3.518 7.705 1.00 0.00 C ATOM 1028 C SER A 68 3.827 2.640 6.459 1.00 0.00 C ATOM 1029 O SER A 68 3.285 1.554 6.509 1.00 0.00 O ATOM 1030 CB SER A 68 5.321 3.251 8.364 1.00 0.00 C ATOM 1031 OG SER A 68 5.458 1.857 8.607 1.00 0.00 O ATOM 0 H SER A 68 2.694 2.210 8.820 1.00 0.00 H new ATOM 0 HA SER A 68 3.897 4.566 7.415 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.127 3.600 7.719 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.399 3.804 9.300 1.00 0.00 H new ATOM 0 HG SER A 68 6.326 1.682 9.028 1.00 0.00 H new ATOM 1037 N ILE A 69 4.315 3.106 5.341 1.00 0.00 N ATOM 1038 CA ILE A 69 4.219 2.312 4.091 1.00 0.00 C ATOM 1039 C ILE A 69 5.024 1.018 4.235 1.00 0.00 C ATOM 1040 O ILE A 69 4.646 -0.019 3.728 1.00 0.00 O ATOM 1041 CB ILE A 69 4.781 3.139 2.937 1.00 0.00 C ATOM 1042 CG1 ILE A 69 3.983 4.430 2.798 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.666 2.349 1.646 1.00 0.00 C ATOM 1044 CD1 ILE A 69 4.642 5.330 1.750 1.00 0.00 C ATOM 0 H ILE A 69 4.779 4.009 5.243 1.00 0.00 H new ATOM 0 HA ILE A 69 3.177 2.060 3.895 1.00 0.00 H new ATOM 0 HB ILE A 69 5.827 3.371 3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.957 4.206 2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.936 4.946 3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.067 2.939 0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.230 1.421 1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.618 2.120 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.070 6.253 1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.660 5.565 2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.666 4.814 0.790 1.00 0.00 H new ATOM 1056 N ARG A 70 6.137 1.075 4.914 1.00 0.00 N ATOM 1057 CA ARG A 70 6.972 -0.149 5.079 1.00 0.00 C ATOM 1058 C ARG A 70 6.171 -1.229 5.809 1.00 0.00 C ATOM 1059 O ARG A 70 6.278 -2.401 5.506 1.00 0.00 O ATOM 1060 CB ARG A 70 8.221 0.195 5.893 1.00 0.00 C ATOM 1061 CG ARG A 70 9.085 1.186 5.111 1.00 0.00 C ATOM 1062 CD ARG A 70 10.388 1.436 5.872 1.00 0.00 C ATOM 1063 NE ARG A 70 10.076 1.925 7.243 1.00 0.00 N ATOM 1064 CZ ARG A 70 10.962 1.812 8.195 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.688 2.240 9.396 1.00 0.00 N ATOM 1066 NH2 ARG A 70 12.123 1.271 7.945 1.00 0.00 N ATOM 0 H ARG A 70 6.504 1.915 5.361 1.00 0.00 H new ATOM 0 HA ARG A 70 7.264 -0.521 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.935 0.625 6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.790 -0.710 6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.301 0.792 4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.547 2.124 4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.972 0.517 5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.996 2.169 5.342 1.00 0.00 H new ATOM 0 HE ARG A 70 9.169 2.349 7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.781 2.663 9.592 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.381 2.151 10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.338 0.936 7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.815 1.183 8.689 1.00 0.00 H new ATOM 1080 N SER A 71 5.371 -0.852 6.768 1.00 0.00 N ATOM 1081 CA SER A 71 4.572 -1.871 7.504 1.00 0.00 C ATOM 1082 C SER A 71 3.665 -2.611 6.520 1.00 0.00 C ATOM 1083 O SER A 71 3.545 -3.819 6.556 1.00 0.00 O ATOM 1084 CB SER A 71 3.716 -1.180 8.566 1.00 0.00 C ATOM 1085 OG SER A 71 3.101 -2.163 9.387 1.00 0.00 O ATOM 0 H SER A 71 5.236 0.112 7.072 1.00 0.00 H new ATOM 0 HA SER A 71 5.243 -2.581 7.987 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.334 -0.518 9.173 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.956 -0.560 8.090 1.00 0.00 H new ATOM 0 HG SER A 71 2.301 -2.509 8.940 1.00 0.00 H new ATOM 1091 N ILE A 72 3.031 -1.893 5.633 1.00 0.00 N ATOM 1092 CA ILE A 72 2.141 -2.543 4.641 1.00 0.00 C ATOM 1093 C ILE A 72 2.970 -3.448 3.729 1.00 0.00 C ATOM 1094 O ILE A 72 2.549 -4.524 3.355 1.00 0.00 O ATOM 1095 CB ILE A 72 1.456 -1.462 3.809 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.634 -0.556 4.729 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.535 -2.119 2.788 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.041 0.597 3.918 1.00 0.00 C ATOM 0 H ILE A 72 3.095 -0.878 5.556 1.00 0.00 H new ATOM 0 HA ILE A 72 1.389 -3.144 5.153 1.00 0.00 H new ATOM 0 HB ILE A 72 2.209 -0.867 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.163 -1.129 5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.264 -0.165 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.044 -1.349 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.120 -2.766 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.219 -2.712 3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.544 1.241 4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.846 1.176 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.603 0.197 3.134 1.00 0.00 H new ATOM 1110 N ASP A 73 4.149 -3.018 3.370 1.00 0.00 N ATOM 1111 CA ASP A 73 5.007 -3.851 2.481 1.00 0.00 C ATOM 1112 C ASP A 73 5.215 -5.227 3.115 1.00 0.00 C ATOM 1113 O ASP A 73 5.236 -6.235 2.437 1.00 0.00 O ATOM 1114 CB ASP A 73 6.362 -3.165 2.293 1.00 0.00 C ATOM 1115 CG ASP A 73 7.171 -3.914 1.233 1.00 0.00 C ATOM 1116 OD1 ASP A 73 6.967 -3.646 0.061 1.00 0.00 O ATOM 1117 OD2 ASP A 73 7.982 -4.743 1.612 1.00 0.00 O ATOM 0 H ASP A 73 4.555 -2.126 3.654 1.00 0.00 H new ATOM 0 HA ASP A 73 4.521 -3.968 1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.217 -2.128 1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.907 -3.148 3.237 1.00 0.00 H new ATOM 1122 N ALA A 74 5.368 -5.281 4.410 1.00 0.00 N ATOM 1123 CA ALA A 74 5.574 -6.597 5.075 1.00 0.00 C ATOM 1124 C ALA A 74 4.333 -7.464 4.874 1.00 0.00 C ATOM 1125 O ALA A 74 4.425 -8.634 4.555 1.00 0.00 O ATOM 1126 CB ALA A 74 5.813 -6.384 6.571 1.00 0.00 C ATOM 0 H ALA A 74 5.359 -4.474 5.033 1.00 0.00 H new ATOM 0 HA ALA A 74 6.441 -7.094 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.964 -7.348 7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.698 -5.764 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.948 -5.888 7.011 1.00 0.00 H new ATOM 1132 N PHE A 75 3.171 -6.900 5.044 1.00 0.00 N ATOM 1133 CA PHE A 75 1.925 -7.695 4.848 1.00 0.00 C ATOM 1134 C PHE A 75 1.826 -8.136 3.389 1.00 0.00 C ATOM 1135 O PHE A 75 1.547 -9.281 3.094 1.00 0.00 O ATOM 1136 CB PHE A 75 0.709 -6.844 5.204 1.00 0.00 C ATOM 1137 CG PHE A 75 -0.547 -7.644 4.959 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -1.273 -7.458 3.777 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -0.986 -8.573 5.910 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -2.435 -8.200 3.543 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -2.150 -9.316 5.677 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.874 -9.129 4.493 1.00 0.00 C ATOM 0 H PHE A 75 3.029 -5.925 5.310 1.00 0.00 H new ATOM 0 HA PHE A 75 1.953 -8.572 5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.760 -6.535 6.248 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.698 -5.935 4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.935 -6.740 3.044 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.427 -8.717 6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.993 -8.056 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.489 -10.033 6.410 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.772 -9.702 4.313 1.00 0.00 H new ATOM 1152 N VAL A 76 2.052 -7.234 2.475 1.00 0.00 N ATOM 1153 CA VAL A 76 1.970 -7.595 1.038 1.00 0.00 C ATOM 1154 C VAL A 76 3.054 -8.619 0.701 1.00 0.00 C ATOM 1155 O VAL A 76 2.820 -9.565 -0.022 1.00 0.00 O ATOM 1156 CB VAL A 76 2.176 -6.335 0.201 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.320 -6.724 -1.267 1.00 0.00 C ATOM 1158 CG2 VAL A 76 0.970 -5.409 0.367 1.00 0.00 C ATOM 0 H VAL A 76 2.290 -6.261 2.665 1.00 0.00 H new ATOM 0 HA VAL A 76 0.994 -8.028 0.821 1.00 0.00 H new ATOM 0 HB VAL A 76 3.077 -5.819 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.467 -5.827 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.178 -7.385 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.417 -7.238 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.117 -4.509 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.068 -5.923 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.864 -5.134 1.416 1.00 0.00 H new ATOM 1168 N VAL A 77 4.239 -8.439 1.217 1.00 0.00 N ATOM 1169 CA VAL A 77 5.336 -9.396 0.923 1.00 0.00 C ATOM 1170 C VAL A 77 4.977 -10.784 1.461 1.00 0.00 C ATOM 1171 O VAL A 77 5.185 -11.786 0.806 1.00 0.00 O ATOM 1172 CB VAL A 77 6.612 -8.903 1.598 1.00 0.00 C ATOM 1173 CG1 VAL A 77 7.683 -9.984 1.505 1.00 0.00 C ATOM 1174 CG2 VAL A 77 7.105 -7.636 0.896 1.00 0.00 C ATOM 0 H VAL A 77 4.493 -7.666 1.832 1.00 0.00 H new ATOM 0 HA VAL A 77 5.484 -9.462 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 77 6.407 -8.681 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.596 -9.634 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.333 -10.887 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.887 -10.205 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.017 -7.284 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.311 -7.857 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.339 -6.863 0.960 1.00 0.00 H new ATOM 1184 N GLY A 78 4.449 -10.850 2.651 1.00 0.00 N ATOM 1185 CA GLY A 78 4.088 -12.172 3.236 1.00 0.00 C ATOM 1186 C GLY A 78 3.025 -12.863 2.376 1.00 0.00 C ATOM 1187 O GLY A 78 3.043 -14.065 2.203 1.00 0.00 O ATOM 0 H GLY A 78 4.251 -10.045 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.975 -12.801 3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.713 -12.038 4.251 1.00 0.00 H new ATOM 1191 N ALA A 79 2.092 -12.119 1.846 1.00 0.00 N ATOM 1192 CA ALA A 79 1.027 -12.747 1.013 1.00 0.00 C ATOM 1193 C ALA A 79 1.472 -12.816 -0.448 1.00 0.00 C ATOM 1194 O ALA A 79 1.389 -13.848 -1.084 1.00 0.00 O ATOM 1195 CB ALA A 79 -0.254 -11.917 1.115 1.00 0.00 C ATOM 0 H ALA A 79 2.021 -11.107 1.953 1.00 0.00 H new ATOM 0 HA ALA A 79 0.842 -13.758 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.034 -12.375 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.581 -11.878 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.062 -10.906 0.757 1.00 0.00 H new ATOM 1201 N THR A 80 1.942 -11.724 -0.981 1.00 0.00 N ATOM 1202 CA THR A 80 2.394 -11.716 -2.403 1.00 0.00 C ATOM 1203 C THR A 80 3.801 -11.124 -2.483 1.00 0.00 C ATOM 1204 O THR A 80 4.110 -10.153 -1.824 1.00 0.00 O ATOM 1205 CB THR A 80 1.433 -10.868 -3.234 1.00 0.00 C ATOM 1206 OG1 THR A 80 0.101 -11.307 -3.012 1.00 0.00 O ATOM 1207 CG2 THR A 80 1.777 -11.009 -4.717 1.00 0.00 C ATOM 0 H THR A 80 2.034 -10.833 -0.493 1.00 0.00 H new ATOM 0 HA THR A 80 2.407 -12.735 -2.791 1.00 0.00 H new ATOM 0 HB THR A 80 1.525 -9.823 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.516 -10.762 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.091 -10.404 -5.309 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.799 -10.670 -4.887 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.687 -12.054 -5.014 1.00 0.00 H new ATOM 1215 N THR A 81 4.652 -11.700 -3.286 1.00 0.00 N ATOM 1216 CA THR A 81 6.039 -11.171 -3.407 1.00 0.00 C ATOM 1217 C THR A 81 6.336 -10.839 -4.875 1.00 0.00 C ATOM 1218 O THR A 81 6.846 -11.660 -5.610 1.00 0.00 O ATOM 1219 CB THR A 81 7.023 -12.235 -2.915 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.322 -11.944 -3.410 1.00 0.00 O ATOM 1221 CG2 THR A 81 6.579 -13.611 -3.413 1.00 0.00 C ATOM 0 H THR A 81 4.447 -12.515 -3.864 1.00 0.00 H new ATOM 0 HA THR A 81 6.142 -10.267 -2.806 1.00 0.00 H new ATOM 0 HB THR A 81 7.043 -12.235 -1.825 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.325 -12.023 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.280 -14.368 -3.062 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.583 -13.833 -3.029 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.557 -13.614 -4.503 1.00 0.00 H new