USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 642 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 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-1.9) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -40:sc= -0.576 USER MOD Single : A 92 SER OG : rot 74:sc= 1.05 USER MOD Single : A 93 TYR OH : rot -108:sc= 0.321 USER MOD Single : B 63 GLN : amide:sc= -0.0268 K(o=-0.027,f=-1.8!) USER MOD Single : B 66 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.11) USER MOD Single : B 67 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.24) USER MOD Single : B 69 SER OG : rot 180:sc= 0.404 USER MOD Single : B 74 THR OG1 : rot 180:sc= -0.618 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -50:sc= -0.97 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 -3.167 -14.632 -17.321 1.00 0.00 N ATOM 2 CA ARG A 61 -2.797 -13.685 -18.365 1.00 0.00 C ATOM 3 C ARG A 61 -3.168 -12.260 -17.964 1.00 0.00 C ATOM 4 O ARG A 61 -4.170 -12.036 -17.285 1.00 0.00 O ATOM 5 CB ARG A 61 -3.485 -14.051 -19.682 1.00 0.00 C ATOM 6 CG ARG A 61 -2.801 -13.470 -20.908 1.00 0.00 C ATOM 7 CD ARG A 61 -3.501 -13.893 -22.190 1.00 0.00 C ATOM 8 NE ARG A 61 -2.959 -15.140 -22.724 1.00 0.00 N ATOM 9 CZ ARG A 61 -3.387 -15.706 -23.847 1.00 0.00 C ATOM 10 NH1 ARG A 61 -4.357 -15.139 -24.551 1.00 0.00 N ATOM 11 NH2 ARG A 61 -2.843 -16.841 -24.268 1.00 0.00 N ATOM 0 HA ARG A 61 -1.717 -13.736 -18.500 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.518 -15.136 -19.775 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.517 -13.702 -19.652 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.792 -12.382 -20.839 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.761 -13.797 -20.935 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.567 -14.014 -21.998 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.399 -13.105 -22.936 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.211 -15.601 -22.206 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.776 -14.266 -24.231 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.684 -15.576 -25.413 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.096 -17.279 -23.729 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.172 -17.275 -25.130 1.00 0.00 H new ATOM 25 N VAL A 62 -2.352 -11.300 -18.387 1.00 0.00 N ATOM 26 CA VAL A 62 -2.594 -9.897 -18.073 1.00 0.00 C ATOM 27 C VAL A 62 -2.520 -9.651 -16.570 1.00 0.00 C ATOM 28 O VAL A 62 -3.546 -9.510 -15.904 1.00 0.00 O ATOM 29 CB VAL A 62 -3.968 -9.435 -18.591 1.00 0.00 C ATOM 30 CG1 VAL A 62 -4.127 -7.932 -18.418 1.00 0.00 C ATOM 31 CG2 VAL A 62 -4.149 -9.834 -20.048 1.00 0.00 C ATOM 0 H VAL A 62 -1.517 -11.468 -18.948 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.814 -9.321 -18.572 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.743 -9.928 -18.004 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.104 -7.624 -18.790 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.044 -7.677 -17.362 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.347 -7.417 -18.978 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.126 -9.500 -20.398 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.369 -9.370 -20.652 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.082 -10.918 -20.139 1.00 0.00 H new ATOM 41 N GLN A 63 -1.301 -9.599 -16.043 1.00 0.00 N ATOM 42 CA GLN A 63 -1.095 -9.369 -14.618 1.00 0.00 C ATOM 43 C GLN A 63 -1.099 -7.877 -14.301 1.00 0.00 C ATOM 44 O GLN A 63 -1.088 -7.040 -15.205 1.00 0.00 O ATOM 45 CB GLN A 63 0.226 -9.994 -14.165 1.00 0.00 C ATOM 46 CG GLN A 63 0.224 -10.432 -12.710 1.00 0.00 C ATOM 47 CD GLN A 63 1.269 -11.491 -12.417 1.00 0.00 C ATOM 48 OE1 GLN A 63 2.426 -11.366 -12.819 1.00 0.00 O ATOM 49 NE2 GLN A 63 0.865 -12.543 -11.715 1.00 0.00 N ATOM 0 H GLN A 63 -0.442 -9.713 -16.581 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.916 -9.839 -14.078 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.445 -10.856 -14.795 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.030 -9.274 -14.318 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.402 -9.565 -12.074 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.762 -10.819 -12.453 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.104 -12.606 -11.402 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.523 -13.289 -11.489 1.00 0.00 H new ATOM 58 N LEU A 64 -1.117 -7.551 -13.014 1.00 0.00 N ATOM 59 CA LEU A 64 -1.123 -6.159 -12.577 1.00 0.00 C ATOM 60 C LEU A 64 -0.731 -6.048 -11.107 1.00 0.00 C ATOM 61 O LEU A 64 -0.659 -7.050 -10.396 1.00 0.00 O ATOM 62 CB LEU A 64 -2.506 -5.542 -12.796 1.00 0.00 C ATOM 63 CG LEU A 64 -3.632 -6.092 -11.920 1.00 0.00 C ATOM 64 CD1 LEU A 64 -4.763 -5.081 -11.808 1.00 0.00 C ATOM 65 CD2 LEU A 64 -4.147 -7.411 -12.479 1.00 0.00 C ATOM 0 H LEU A 64 -1.128 -8.231 -12.254 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.390 -5.614 -13.171 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.433 -4.468 -12.628 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.783 -5.683 -13.841 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.234 -6.274 -10.922 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.555 -5.490 -11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.386 -4.161 -11.362 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.160 -4.867 -12.801 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.948 -7.788 -11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.528 -7.254 -13.488 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.334 -8.137 -12.507 1.00 0.00 H new ATOM 77 N ALA A 65 -0.480 -4.822 -10.658 1.00 0.00 N ATOM 78 CA ALA A 65 -0.099 -4.580 -9.272 1.00 0.00 C ATOM 79 C ALA A 65 0.982 -5.556 -8.821 1.00 0.00 C ATOM 80 O ALA A 65 0.998 -5.990 -7.669 1.00 0.00 O ATOM 81 CB ALA A 65 -1.316 -4.680 -8.365 1.00 0.00 C ATOM 0 H ALA A 65 -0.534 -3.982 -11.234 1.00 0.00 H new ATOM 0 HA ALA A 65 0.309 -3.571 -9.204 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.017 -4.497 -7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.056 -3.938 -8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.749 -5.677 -8.446 1.00 0.00 H new ATOM 87 N HIS A 66 1.883 -5.898 -9.736 1.00 0.00 N ATOM 88 CA HIS A 66 2.968 -6.825 -9.431 1.00 0.00 C ATOM 89 C HIS A 66 4.114 -6.665 -10.425 1.00 0.00 C ATOM 90 O HIS A 66 4.061 -7.188 -11.539 1.00 0.00 O ATOM 91 CB HIS A 66 2.457 -8.266 -9.451 1.00 0.00 C ATOM 92 CG HIS A 66 2.933 -9.085 -8.291 1.00 0.00 C ATOM 93 ND1 HIS A 66 3.802 -10.148 -8.426 1.00 0.00 N ATOM 94 CD2 HIS A 66 2.657 -8.993 -6.969 1.00 0.00 C ATOM 95 CE1 HIS A 66 4.038 -10.674 -7.237 1.00 0.00 C ATOM 96 NE2 HIS A 66 3.356 -9.991 -6.336 1.00 0.00 N ATOM 0 H HIS A 66 1.884 -5.548 -10.694 1.00 0.00 H new ATOM 0 HA HIS A 66 3.341 -6.594 -8.433 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.367 -8.257 -9.456 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.776 -8.743 -10.378 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.008 -8.269 -6.499 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.680 -11.519 -7.036 1.00 0.00 H new ATOM 0 HE2 HIS A 66 3.349 -10.175 -5.333 1.00 0.00 H new ATOM 104 N HIS A 67 5.150 -5.939 -10.016 1.00 0.00 N ATOM 105 CA HIS A 67 6.309 -5.710 -10.871 1.00 0.00 C ATOM 106 C HIS A 67 7.389 -4.932 -10.126 1.00 0.00 C ATOM 107 O HIS A 67 7.559 -3.731 -10.335 1.00 0.00 O ATOM 108 CB HIS A 67 5.896 -4.952 -12.133 1.00 0.00 C ATOM 109 CG HIS A 67 7.033 -4.687 -13.072 1.00 0.00 C ATOM 110 ND1 HIS A 67 7.744 -5.691 -13.695 1.00 0.00 N ATOM 111 CD2 HIS A 67 7.581 -3.523 -13.492 1.00 0.00 C ATOM 112 CE1 HIS A 67 8.680 -5.156 -14.458 1.00 0.00 C ATOM 113 NE2 HIS A 67 8.603 -3.841 -14.353 1.00 0.00 N ATOM 0 H HIS A 67 5.210 -5.499 -9.098 1.00 0.00 H new ATOM 0 HA HIS A 67 6.717 -6.680 -11.156 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.130 -5.524 -12.656 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.444 -4.003 -11.845 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.272 -2.529 -13.204 1.00 0.00 H new ATOM 0 HE1 HIS A 67 9.388 -5.701 -15.065 1.00 0.00 H new ATOM 0 HE2 HIS A 67 9.204 -3.171 -14.833 1.00 0.00 H new ATOM 121 N PHE A 68 8.116 -5.624 -9.256 1.00 0.00 N ATOM 122 CA PHE A 68 9.179 -4.998 -8.478 1.00 0.00 C ATOM 123 C PHE A 68 10.240 -4.395 -9.394 1.00 0.00 C ATOM 124 O PHE A 68 10.473 -4.885 -10.498 1.00 0.00 O ATOM 125 CB PHE A 68 9.821 -6.019 -7.537 1.00 0.00 C ATOM 126 CG PHE A 68 10.141 -7.328 -8.201 1.00 0.00 C ATOM 127 CD1 PHE A 68 11.146 -7.410 -9.152 1.00 0.00 C ATOM 128 CD2 PHE A 68 9.437 -8.476 -7.875 1.00 0.00 C ATOM 129 CE1 PHE A 68 11.442 -8.613 -9.765 1.00 0.00 C ATOM 130 CE2 PHE A 68 9.729 -9.681 -8.485 1.00 0.00 C ATOM 131 CZ PHE A 68 10.733 -9.750 -9.430 1.00 0.00 C ATOM 0 H PHE A 68 7.989 -6.619 -9.072 1.00 0.00 H new ATOM 0 HA PHE A 68 8.738 -4.197 -7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.737 -5.596 -7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.149 -6.201 -6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.704 -6.524 -9.417 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.651 -8.428 -7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.227 -8.664 -10.505 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.172 -10.568 -8.223 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.964 -10.691 -9.906 1.00 0.00 H new ATOM 141 N SER A 69 10.879 -3.327 -8.926 1.00 0.00 N ATOM 142 CA SER A 69 11.913 -2.654 -9.703 1.00 0.00 C ATOM 143 C SER A 69 11.438 -2.397 -11.130 1.00 0.00 C ATOM 144 O SER A 69 10.255 -2.540 -11.437 1.00 0.00 O ATOM 145 CB SER A 69 13.193 -3.491 -9.723 1.00 0.00 C ATOM 146 OG SER A 69 13.645 -3.762 -8.407 1.00 0.00 O ATOM 0 H SER A 69 10.699 -2.910 -8.013 1.00 0.00 H new ATOM 0 HA SER A 69 12.123 -1.695 -9.229 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.010 -4.428 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.969 -2.962 -10.276 1.00 0.00 H new ATOM 0 HG SER A 69 14.463 -4.300 -8.446 1.00 0.00 H new ATOM 152 N GLU A 70 12.370 -2.015 -11.998 1.00 0.00 N ATOM 153 CA GLU A 70 12.047 -1.737 -13.392 1.00 0.00 C ATOM 154 C GLU A 70 13.010 -2.462 -14.329 1.00 0.00 C ATOM 155 O GLU A 70 13.819 -1.848 -15.025 1.00 0.00 O ATOM 156 CB GLU A 70 12.095 -0.231 -13.659 1.00 0.00 C ATOM 157 CG GLU A 70 11.451 0.602 -12.564 1.00 0.00 C ATOM 158 CD GLU A 70 11.344 2.068 -12.933 1.00 0.00 C ATOM 159 OE1 GLU A 70 12.340 2.629 -13.434 1.00 0.00 O ATOM 160 OE2 GLU A 70 10.262 2.655 -12.721 1.00 0.00 O ATOM 0 H GLU A 70 13.354 -1.891 -11.760 1.00 0.00 H new ATOM 0 HA GLU A 70 11.038 -2.101 -13.584 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.135 0.076 -13.774 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.595 -0.022 -14.605 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.456 0.211 -12.353 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.033 0.503 -11.648 1.00 0.00 H new ATOM 167 N PRO A 71 12.922 -3.800 -14.347 1.00 0.00 N ATOM 168 CA PRO A 71 13.777 -4.638 -15.194 1.00 0.00 C ATOM 169 C PRO A 71 13.443 -4.497 -16.675 1.00 0.00 C ATOM 170 O PRO A 71 14.008 -5.195 -17.516 1.00 0.00 O ATOM 171 CB PRO A 71 13.474 -6.058 -14.709 1.00 0.00 C ATOM 172 CG PRO A 71 12.102 -5.976 -14.134 1.00 0.00 C ATOM 173 CD PRO A 71 11.981 -4.598 -13.544 1.00 0.00 C ATOM 0 HA PRO A 71 14.828 -4.361 -15.113 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.517 -6.774 -15.529 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.198 -6.384 -13.962 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.347 -6.139 -14.903 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.952 -6.741 -13.372 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.963 -4.216 -13.620 1.00 0.00 H new ATOM 0 HD3 PRO A 71 12.246 -4.589 -12.487 1.00 0.00 H new ATOM 181 N GLU A 72 12.521 -3.591 -16.985 1.00 0.00 N ATOM 182 CA GLU A 72 12.112 -3.361 -18.366 1.00 0.00 C ATOM 183 C GLU A 72 11.484 -1.979 -18.524 1.00 0.00 C ATOM 184 O GLU A 72 10.329 -1.854 -18.932 1.00 0.00 O ATOM 185 CB GLU A 72 11.122 -4.438 -18.814 1.00 0.00 C ATOM 186 CG GLU A 72 11.782 -5.757 -19.180 1.00 0.00 C ATOM 187 CD GLU A 72 12.980 -5.577 -20.091 1.00 0.00 C ATOM 188 OE1 GLU A 72 12.982 -4.612 -20.884 1.00 0.00 O ATOM 189 OE2 GLU A 72 13.916 -6.400 -20.011 1.00 0.00 O ATOM 0 H GLU A 72 12.044 -3.005 -16.300 1.00 0.00 H new ATOM 0 HA GLU A 72 13.001 -3.411 -18.995 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.401 -4.612 -18.015 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.563 -4.070 -19.674 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.096 -6.267 -18.269 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.051 -6.401 -19.670 1.00 0.00 H new ATOM 196 N ILE A 73 12.253 -0.946 -18.198 1.00 0.00 N ATOM 197 CA ILE A 73 11.772 0.426 -18.304 1.00 0.00 C ATOM 198 C ILE A 73 11.440 0.782 -19.749 1.00 0.00 C ATOM 199 O ILE A 73 10.284 1.034 -20.089 1.00 0.00 O ATOM 200 CB ILE A 73 12.809 1.429 -17.765 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.160 1.103 -16.312 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.281 2.851 -17.882 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.444 1.749 -15.840 1.00 0.00 C ATOM 0 H ILE A 73 13.211 -1.033 -17.859 1.00 0.00 H new ATOM 0 HA ILE A 73 10.867 0.491 -17.699 1.00 0.00 H new ATOM 0 HB ILE A 73 13.716 1.348 -18.364 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.342 1.426 -15.668 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.245 0.022 -16.201 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.025 3.548 -17.497 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.078 3.079 -18.928 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.361 2.946 -17.305 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.629 1.474 -14.802 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.273 1.406 -16.460 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.356 2.833 -15.918 1.00 0.00 H new ATOM 215 N THR A 74 12.463 0.800 -20.599 1.00 0.00 N ATOM 216 CA THR A 74 12.281 1.124 -22.008 1.00 0.00 C ATOM 217 C THR A 74 11.056 0.420 -22.580 1.00 0.00 C ATOM 218 O THR A 74 10.271 1.019 -23.316 1.00 0.00 O ATOM 219 CB THR A 74 13.518 0.735 -22.838 1.00 0.00 C ATOM 220 OG1 THR A 74 14.686 1.368 -22.304 1.00 0.00 O ATOM 221 CG2 THR A 74 13.340 1.135 -24.295 1.00 0.00 C ATOM 0 H THR A 74 13.426 0.594 -20.335 1.00 0.00 H new ATOM 0 HA THR A 74 12.137 2.203 -22.069 1.00 0.00 H new ATOM 0 HB THR A 74 13.636 -0.347 -22.786 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.468 1.114 -22.837 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.227 0.850 -24.861 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.467 0.628 -24.707 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.198 2.214 -24.361 1.00 0.00 H new ATOM 229 N LEU A 75 10.898 -0.853 -22.237 1.00 0.00 N ATOM 230 CA LEU A 75 9.767 -1.640 -22.717 1.00 0.00 C ATOM 231 C LEU A 75 8.445 -0.978 -22.340 1.00 0.00 C ATOM 232 O LEU A 75 7.599 -0.727 -23.199 1.00 0.00 O ATOM 233 CB LEU A 75 9.824 -3.056 -22.141 1.00 0.00 C ATOM 234 CG LEU A 75 10.783 -4.024 -22.834 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.633 -5.425 -22.261 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.539 -4.032 -24.337 1.00 0.00 C ATOM 0 H LEU A 75 11.538 -1.363 -21.628 1.00 0.00 H new ATOM 0 HA LEU A 75 9.829 -1.694 -23.804 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.105 -2.988 -21.090 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.821 -3.482 -22.176 1.00 0.00 H new ATOM 0 HG LEU A 75 11.804 -3.686 -22.653 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.323 -6.101 -22.766 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.857 -5.408 -21.194 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.611 -5.772 -22.411 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.230 -4.726 -24.814 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.514 -4.345 -24.538 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.697 -3.030 -24.737 1.00 0.00 H new ATOM 248 N ILE A 76 8.276 -0.698 -21.053 1.00 0.00 N ATOM 249 CA ILE A 76 7.058 -0.062 -20.564 1.00 0.00 C ATOM 250 C ILE A 76 6.791 1.249 -21.294 1.00 0.00 C ATOM 251 O ILE A 76 5.658 1.537 -21.680 1.00 0.00 O ATOM 252 CB ILE A 76 7.136 0.212 -19.050 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.242 -1.103 -18.276 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.920 1.005 -18.593 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.074 -2.036 -18.506 1.00 0.00 C ATOM 0 H ILE A 76 8.966 -0.901 -20.330 1.00 0.00 H new ATOM 0 HA ILE A 76 6.240 -0.755 -20.758 1.00 0.00 H new ATOM 0 HB ILE A 76 8.029 0.803 -18.848 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.163 -1.610 -18.562 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.317 -0.883 -17.211 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.989 1.191 -17.521 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.885 1.956 -19.125 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.014 0.437 -18.805 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.217 -2.948 -17.926 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.151 -1.548 -18.193 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.011 -2.286 -19.565 1.00 0.00 H new ATOM 267 N ILE A 77 7.843 2.040 -21.481 1.00 0.00 N ATOM 268 CA ILE A 77 7.722 3.320 -22.168 1.00 0.00 C ATOM 269 C ILE A 77 7.293 3.128 -23.618 1.00 0.00 C ATOM 270 O ILE A 77 6.353 3.768 -24.089 1.00 0.00 O ATOM 271 CB ILE A 77 9.048 4.103 -22.136 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.424 4.455 -20.695 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.940 5.362 -22.983 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.521 5.496 -20.072 1.00 0.00 C ATOM 0 H ILE A 77 8.787 1.817 -21.167 1.00 0.00 H new ATOM 0 HA ILE A 77 6.959 3.891 -21.639 1.00 0.00 H new ATOM 0 HB ILE A 77 9.834 3.474 -22.553 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.394 3.550 -20.089 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.452 4.818 -20.675 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.885 5.905 -22.950 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.714 5.089 -24.014 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.144 5.996 -22.593 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.847 5.696 -19.051 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.570 6.416 -20.655 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.495 5.128 -20.060 1.00 0.00 H new ATOM 286 N PHE A 78 7.987 2.239 -24.322 1.00 0.00 N ATOM 287 CA PHE A 78 7.677 1.961 -25.719 1.00 0.00 C ATOM 288 C PHE A 78 6.213 1.565 -25.884 1.00 0.00 C ATOM 289 O PHE A 78 5.516 2.072 -26.762 1.00 0.00 O ATOM 290 CB PHE A 78 8.581 0.847 -26.252 1.00 0.00 C ATOM 291 CG PHE A 78 8.196 0.365 -27.621 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.667 1.009 -28.754 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.362 -0.731 -27.776 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.314 0.569 -30.016 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.007 -1.176 -29.035 1.00 0.00 C ATOM 296 CZ PHE A 78 7.483 -0.525 -30.157 1.00 0.00 C ATOM 0 H PHE A 78 8.767 1.699 -23.948 1.00 0.00 H new ATOM 0 HA PHE A 78 7.855 2.871 -26.292 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.610 1.206 -26.278 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.555 0.006 -25.559 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.318 1.865 -28.650 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.985 -1.243 -26.903 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.688 1.080 -30.891 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.358 -2.032 -29.142 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.206 -0.871 -31.142 1.00 0.00 H new ATOM 306 N GLY A 79 5.752 0.655 -25.031 1.00 0.00 N ATOM 307 CA GLY A 79 4.374 0.206 -25.098 1.00 0.00 C ATOM 308 C GLY A 79 3.385 1.349 -24.984 1.00 0.00 C ATOM 309 O GLY A 79 2.524 1.523 -25.846 1.00 0.00 O ATOM 0 H GLY A 79 6.309 0.221 -24.295 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.211 -0.318 -26.040 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.190 -0.511 -24.298 1.00 0.00 H new ATOM 313 N VAL A 80 3.508 2.131 -23.915 1.00 0.00 N ATOM 314 CA VAL A 80 2.617 3.263 -23.691 1.00 0.00 C ATOM 315 C VAL A 80 2.745 4.293 -24.807 1.00 0.00 C ATOM 316 O VAL A 80 1.768 4.938 -25.185 1.00 0.00 O ATOM 317 CB VAL A 80 2.907 3.946 -22.341 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.925 5.081 -22.095 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.858 2.931 -21.209 1.00 0.00 C ATOM 0 H VAL A 80 4.215 2.001 -23.192 1.00 0.00 H new ATOM 0 HA VAL A 80 1.601 2.869 -23.680 1.00 0.00 H new ATOM 0 HB VAL A 80 3.911 4.368 -22.375 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.145 5.552 -21.137 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.016 5.820 -22.891 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.909 4.686 -22.080 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.065 3.431 -20.263 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.868 2.477 -21.170 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.606 2.157 -21.382 1.00 0.00 H new ATOM 329 N MET A 81 3.957 4.441 -25.332 1.00 0.00 N ATOM 330 CA MET A 81 4.213 5.392 -26.408 1.00 0.00 C ATOM 331 C MET A 81 3.484 4.979 -27.683 1.00 0.00 C ATOM 332 O MET A 81 2.852 5.804 -28.342 1.00 0.00 O ATOM 333 CB MET A 81 5.715 5.498 -26.677 1.00 0.00 C ATOM 334 CG MET A 81 6.458 6.340 -25.653 1.00 0.00 C ATOM 335 SD MET A 81 6.388 8.104 -26.021 1.00 0.00 S ATOM 336 CE MET A 81 8.104 8.437 -26.412 1.00 0.00 C ATOM 0 H MET A 81 4.777 3.915 -25.030 1.00 0.00 H new ATOM 0 HA MET A 81 3.838 6.366 -26.095 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.145 4.496 -26.692 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.869 5.926 -27.668 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.033 6.162 -24.665 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.500 6.022 -25.614 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.222 9.491 -26.662 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.727 8.196 -25.551 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.409 7.826 -27.262 1.00 0.00 H new ATOM 346 N ALA A 82 3.576 3.698 -28.024 1.00 0.00 N ATOM 347 CA ALA A 82 2.923 3.177 -29.218 1.00 0.00 C ATOM 348 C ALA A 82 1.405 3.239 -29.087 1.00 0.00 C ATOM 349 O ALA A 82 0.711 3.678 -30.002 1.00 0.00 O ATOM 350 CB ALA A 82 3.374 1.748 -29.485 1.00 0.00 C ATOM 0 H ALA A 82 4.097 3.002 -27.490 1.00 0.00 H new ATOM 0 HA ALA A 82 3.213 3.802 -30.062 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.878 1.371 -30.380 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.454 1.729 -29.633 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.113 1.119 -28.634 1.00 0.00 H new ATOM 356 N GLY A 83 0.896 2.795 -27.941 1.00 0.00 N ATOM 357 CA GLY A 83 -0.536 2.809 -27.711 1.00 0.00 C ATOM 358 C GLY A 83 -1.117 4.209 -27.753 1.00 0.00 C ATOM 359 O GLY A 83 -2.086 4.466 -28.468 1.00 0.00 O ATOM 0 H GLY A 83 1.451 2.426 -27.168 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.028 2.192 -28.463 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.749 2.359 -26.741 1.00 0.00 H new ATOM 363 N VAL A 84 -0.525 5.117 -26.985 1.00 0.00 N ATOM 364 CA VAL A 84 -0.989 6.498 -26.937 1.00 0.00 C ATOM 365 C VAL A 84 -1.048 7.107 -28.333 1.00 0.00 C ATOM 366 O VAL A 84 -2.091 7.601 -28.762 1.00 0.00 O ATOM 367 CB VAL A 84 -0.078 7.366 -26.048 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.415 8.840 -26.216 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.199 6.946 -24.591 1.00 0.00 C ATOM 0 H VAL A 84 0.278 4.921 -26.387 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.991 6.480 -26.509 1.00 0.00 H new ATOM 0 HB VAL A 84 0.955 7.216 -26.361 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.239 9.437 -25.580 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.272 9.129 -27.257 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.453 9.011 -25.931 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.451 7.570 -23.977 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.231 7.065 -24.263 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.096 5.902 -24.488 1.00 0.00 H new ATOM 379 N ILE A 85 0.078 7.067 -29.038 1.00 0.00 N ATOM 380 CA ILE A 85 0.153 7.614 -30.387 1.00 0.00 C ATOM 381 C ILE A 85 -0.903 6.990 -31.293 1.00 0.00 C ATOM 382 O ILE A 85 -1.567 7.685 -32.059 1.00 0.00 O ATOM 383 CB ILE A 85 1.544 7.388 -31.008 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.624 8.053 -30.152 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.583 7.927 -32.431 1.00 0.00 C ATOM 386 CD1 ILE A 85 4.010 7.494 -30.384 1.00 0.00 C ATOM 0 H ILE A 85 0.950 6.662 -28.698 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.030 8.685 -30.304 1.00 0.00 H new ATOM 0 HB ILE A 85 1.741 6.316 -31.040 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.633 9.123 -30.360 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.365 7.935 -29.100 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.573 7.760 -32.856 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.836 7.412 -33.036 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.368 8.996 -32.421 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.723 8.013 -29.744 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.017 6.430 -30.148 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.289 7.636 -31.428 1.00 0.00 H new ATOM 398 N GLY A 86 -1.053 5.672 -31.197 1.00 0.00 N ATOM 399 CA GLY A 86 -2.032 4.976 -32.012 1.00 0.00 C ATOM 400 C GLY A 86 -3.432 5.527 -31.833 1.00 0.00 C ATOM 401 O GLY A 86 -4.113 5.846 -32.809 1.00 0.00 O ATOM 0 H GLY A 86 -0.514 5.074 -30.570 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.746 5.052 -33.061 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.026 3.917 -31.756 1.00 0.00 H new ATOM 405 N THR A 87 -3.868 5.638 -30.582 1.00 0.00 N ATOM 406 CA THR A 87 -5.197 6.151 -30.278 1.00 0.00 C ATOM 407 C THR A 87 -5.395 7.546 -30.861 1.00 0.00 C ATOM 408 O THR A 87 -6.429 7.837 -31.463 1.00 0.00 O ATOM 409 CB THR A 87 -5.446 6.202 -28.759 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.855 5.061 -28.127 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.936 6.241 -28.456 1.00 0.00 C ATOM 0 H THR A 87 -3.319 5.379 -29.762 1.00 0.00 H new ATOM 0 HA THR A 87 -5.912 5.465 -30.733 1.00 0.00 H new ATOM 0 HB THR A 87 -4.988 7.111 -28.368 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.999 4.267 -28.684 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.087 6.277 -27.377 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.377 7.126 -28.914 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.413 5.348 -28.860 1.00 0.00 H new ATOM 419 N ILE A 88 -4.397 8.405 -30.679 1.00 0.00 N ATOM 420 CA ILE A 88 -4.462 9.769 -31.190 1.00 0.00 C ATOM 421 C ILE A 88 -4.769 9.783 -32.683 1.00 0.00 C ATOM 422 O ILE A 88 -5.682 10.476 -33.134 1.00 0.00 O ATOM 423 CB ILE A 88 -3.144 10.526 -30.940 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.940 10.759 -29.442 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.143 11.849 -31.692 1.00 0.00 C ATOM 426 CD1 ILE A 88 -3.976 11.673 -28.825 1.00 0.00 C ATOM 0 H ILE A 88 -3.535 8.181 -30.182 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.267 10.270 -30.652 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.318 9.919 -31.310 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.962 9.799 -28.927 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.950 11.185 -29.280 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.205 12.373 -31.506 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.247 11.660 -32.760 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.976 12.463 -31.349 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.769 11.793 -27.762 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.939 12.647 -29.314 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.967 11.239 -28.955 1.00 0.00 H new ATOM 438 N LEU A 89 -4.001 9.013 -33.446 1.00 0.00 N ATOM 439 CA LEU A 89 -4.191 8.935 -34.891 1.00 0.00 C ATOM 440 C LEU A 89 -5.617 8.512 -35.230 1.00 0.00 C ATOM 441 O LEU A 89 -6.309 9.182 -35.998 1.00 0.00 O ATOM 442 CB LEU A 89 -3.196 7.948 -35.503 1.00 0.00 C ATOM 443 CG LEU A 89 -1.754 8.443 -35.631 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.828 7.296 -36.005 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.663 9.560 -36.660 1.00 0.00 C ATOM 0 H LEU A 89 -3.241 8.434 -33.089 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.016 9.926 -35.310 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.196 7.041 -34.898 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.553 7.670 -36.495 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.439 8.839 -34.665 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.193 7.666 -36.092 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.871 6.527 -35.233 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.142 6.871 -36.958 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.630 9.900 -36.738 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.997 9.190 -37.629 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.296 10.392 -36.351 1.00 0.00 H new ATOM 457 N LEU A 90 -6.052 7.398 -34.651 1.00 0.00 N ATOM 458 CA LEU A 90 -7.397 6.886 -34.890 1.00 0.00 C ATOM 459 C LEU A 90 -8.449 7.927 -34.520 1.00 0.00 C ATOM 460 O LEU A 90 -9.338 8.234 -35.314 1.00 0.00 O ATOM 461 CB LEU A 90 -7.626 5.605 -34.088 1.00 0.00 C ATOM 462 CG LEU A 90 -6.780 4.398 -34.494 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.554 3.479 -33.303 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.444 3.641 -35.635 1.00 0.00 C ATOM 0 H LEU A 90 -5.493 6.832 -34.013 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.491 6.663 -35.953 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.435 5.820 -33.036 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.678 5.331 -34.172 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.810 4.758 -34.838 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.950 2.626 -33.611 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.035 4.025 -32.515 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.515 3.127 -32.928 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.828 2.785 -35.911 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.427 3.293 -35.317 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.553 4.302 -36.495 1.00 0.00 H new ATOM 476 N ILE A 91 -8.340 8.467 -33.311 1.00 0.00 N ATOM 477 CA ILE A 91 -9.280 9.475 -32.837 1.00 0.00 C ATOM 478 C ILE A 91 -9.360 10.650 -33.807 1.00 0.00 C ATOM 479 O ILE A 91 -10.448 11.084 -34.183 1.00 0.00 O ATOM 480 CB ILE A 91 -8.888 10.000 -31.444 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.104 8.915 -30.387 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.690 11.247 -31.102 1.00 0.00 C ATOM 483 CD1 ILE A 91 -10.557 8.538 -30.196 1.00 0.00 C ATOM 0 H ILE A 91 -7.610 8.223 -32.642 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.255 8.992 -32.772 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.831 10.264 -31.456 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.541 8.026 -30.670 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.698 9.260 -29.436 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.401 11.606 -30.114 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.491 12.022 -31.842 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.753 11.008 -31.104 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.635 7.764 -29.432 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.122 9.416 -29.882 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.962 8.162 -31.136 1.00 0.00 H new ATOM 495 N SER A 92 -8.200 11.159 -34.208 1.00 0.00 N ATOM 496 CA SER A 92 -8.138 12.285 -35.132 1.00 0.00 C ATOM 497 C SER A 92 -8.913 11.982 -36.411 1.00 0.00 C ATOM 498 O SER A 92 -9.468 12.881 -37.042 1.00 0.00 O ATOM 499 CB SER A 92 -6.683 12.616 -35.470 1.00 0.00 C ATOM 500 OG SER A 92 -5.962 12.991 -34.309 1.00 0.00 O ATOM 0 H SER A 92 -7.290 10.809 -33.907 1.00 0.00 H new ATOM 0 HA SER A 92 -8.596 13.147 -34.646 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.208 11.751 -35.933 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.651 13.426 -36.199 1.00 0.00 H new ATOM 0 HG SER A 92 -5.778 12.196 -33.767 1.00 0.00 H new ATOM 506 N TYR A 93 -8.945 10.708 -36.787 1.00 0.00 N ATOM 507 CA TYR A 93 -9.649 10.285 -37.992 1.00 0.00 C ATOM 508 C TYR A 93 -11.160 10.346 -37.789 1.00 0.00 C ATOM 509 O TYR A 93 -11.906 10.697 -38.702 1.00 0.00 O ATOM 510 CB TYR A 93 -9.231 8.865 -38.379 1.00 0.00 C ATOM 511 CG TYR A 93 -9.393 8.567 -39.852 1.00 0.00 C ATOM 512 CD1 TYR A 93 -8.521 9.105 -40.790 1.00 0.00 C ATOM 513 CD2 TYR A 93 -10.418 7.745 -40.306 1.00 0.00 C ATOM 514 CE1 TYR A 93 -8.666 8.836 -42.137 1.00 0.00 C ATOM 515 CE2 TYR A 93 -10.570 7.469 -41.651 1.00 0.00 C ATOM 516 CZ TYR A 93 -9.692 8.018 -42.563 1.00 0.00 C ATOM 517 OH TYR A 93 -9.839 7.746 -43.904 1.00 0.00 O ATOM 0 H TYR A 93 -8.492 9.951 -36.275 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.381 10.968 -38.798 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.189 8.713 -38.099 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.823 8.152 -37.805 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.716 9.745 -40.460 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.108 7.315 -39.595 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.980 9.264 -42.853 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.371 6.827 -41.987 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.621 8.224 -44.251 1.00 0.00 H new ATOM 527 N GLY A 94 -11.603 10.001 -36.584 1.00 0.00 N ATOM 528 CA GLY A 94 -13.023 10.023 -36.282 1.00 0.00 C ATOM 529 C GLY A 94 -13.604 11.422 -36.333 1.00 0.00 C ATOM 530 O GLY A 94 -14.746 11.611 -36.752 1.00 0.00 O ATOM 0 H GLY A 94 -11.005 9.707 -35.812 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.552 9.387 -36.991 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.187 9.600 -35.291 1.00 0.00 H new ATOM 534 N ILE A 95 -12.819 12.403 -35.902 1.00 0.00 N ATOM 535 CA ILE A 95 -13.263 13.791 -35.900 1.00 0.00 C ATOM 536 C ILE A 95 -13.483 14.301 -37.320 1.00 0.00 C ATOM 537 O ILE A 95 -14.357 15.133 -37.564 1.00 0.00 O ATOM 538 CB ILE A 95 -12.248 14.706 -35.190 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.045 14.254 -33.743 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.715 16.153 -35.238 1.00 0.00 C ATOM 541 CD1 ILE A 95 -13.323 14.228 -32.933 1.00 0.00 C ATOM 0 H ILE A 95 -11.872 12.262 -35.550 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.207 13.818 -35.356 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.293 14.635 -35.710 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.603 13.258 -33.741 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.331 14.921 -33.259 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.987 16.787 -34.732 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.812 16.470 -36.276 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.681 16.240 -34.740 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.104 13.898 -31.918 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.756 15.228 -32.904 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -14.031 13.539 -33.393 1.00 0.00 H new ATOM 553 N ARG A 96 -12.686 13.793 -38.255 1.00 0.00 N ATOM 554 CA ARG A 96 -12.794 14.196 -39.652 1.00 0.00 C ATOM 555 C ARG A 96 -14.016 13.560 -40.308 1.00 0.00 C ATOM 556 O ARG A 96 -14.629 14.147 -41.200 1.00 0.00 O ATOM 557 CB ARG A 96 -11.528 13.804 -40.417 1.00 0.00 C ATOM 558 CG ARG A 96 -10.513 14.929 -40.533 1.00 0.00 C ATOM 559 CD ARG A 96 -10.969 15.992 -41.521 1.00 0.00 C ATOM 560 NE ARG A 96 -9.880 16.885 -41.905 1.00 0.00 N ATOM 561 CZ ARG A 96 -9.959 17.750 -42.910 1.00 0.00 C ATOM 562 NH1 ARG A 96 -11.070 17.839 -43.627 1.00 0.00 N ATOM 563 NH2 ARG A 96 -8.924 18.530 -43.198 1.00 0.00 N ATOM 0 H ARG A 96 -11.959 13.102 -38.070 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.909 15.279 -39.684 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.061 12.955 -39.918 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.806 13.473 -41.417 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.358 15.383 -39.554 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.553 14.523 -40.851 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.373 15.510 -42.411 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.777 16.575 -41.079 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.011 16.842 -41.373 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.868 17.242 -43.408 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.127 18.504 -44.398 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.068 18.465 -42.647 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.985 19.194 -43.970 1.00 0.00 H new ATOM 577 N ARG A 97 -14.363 12.358 -39.861 1.00 0.00 N ATOM 578 CA ARG A 97 -15.510 11.642 -40.406 1.00 0.00 C ATOM 579 C ARG A 97 -15.372 11.463 -41.915 1.00 0.00 C ATOM 580 O ARG A 97 -16.369 11.388 -42.636 1.00 0.00 O ATOM 581 CB ARG A 97 -16.805 12.391 -40.086 1.00 0.00 C ATOM 582 CG ARG A 97 -18.056 11.547 -40.260 1.00 0.00 C ATOM 583 CD ARG A 97 -19.223 12.110 -39.464 1.00 0.00 C ATOM 584 NE ARG A 97 -19.885 13.206 -40.165 1.00 0.00 N ATOM 585 CZ ARG A 97 -20.803 13.988 -39.606 1.00 0.00 C ATOM 586 NH1 ARG A 97 -21.164 13.794 -38.345 1.00 0.00 N ATOM 587 NH2 ARG A 97 -21.360 14.966 -40.309 1.00 0.00 N ATOM 0 H ARG A 97 -13.866 11.859 -39.123 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.545 10.656 -39.942 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.761 12.753 -39.059 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.876 13.268 -40.730 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.322 11.503 -41.316 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.854 10.525 -39.939 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -19.944 11.317 -39.268 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.866 12.462 -38.496 1.00 0.00 H new ATOM 0 HE ARG A 97 -19.629 13.381 -41.137 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.737 13.044 -37.802 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.869 14.395 -37.918 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -21.084 15.118 -41.279 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -22.064 15.566 -39.879 1.00 0.00 H new ATOM 601 N LEU A 98 -14.132 11.395 -42.387 1.00 0.00 N ATOM 602 CA LEU A 98 -13.864 11.225 -43.811 1.00 0.00 C ATOM 603 C LEU A 98 -12.461 10.672 -44.038 1.00 0.00 C ATOM 604 O LEU A 98 -12.246 9.476 -43.844 1.00 0.00 O ATOM 605 CB LEU A 98 -14.023 12.559 -44.543 1.00 0.00 C ATOM 606 CG LEU A 98 -14.831 12.519 -45.841 1.00 0.00 C ATOM 607 CD1 LEU A 98 -15.253 13.922 -46.249 1.00 0.00 C ATOM 608 CD2 LEU A 98 -14.026 11.859 -46.950 1.00 0.00 C ATOM 0 H LEU A 98 -13.297 11.455 -41.805 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.585 10.511 -44.209 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.497 13.269 -43.865 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.030 12.948 -44.768 1.00 0.00 H new ATOM 0 HG LEU A 98 -15.729 11.926 -45.670 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -15.827 13.875 -47.175 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -15.868 14.360 -45.463 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -14.367 14.538 -46.403 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -14.617 11.839 -47.866 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.110 12.425 -47.121 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -13.774 10.839 -46.659 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 11.846 -14.702 -0.557 1.00 0.00 N ATOM 622 CA ARG B 61 11.015 -15.856 -0.234 1.00 0.00 C ATOM 623 C ARG B 61 9.907 -16.034 -1.268 1.00 0.00 C ATOM 624 O ARG B 61 8.958 -15.252 -1.317 1.00 0.00 O ATOM 625 CB ARG B 61 10.406 -15.699 1.160 1.00 0.00 C ATOM 626 CG ARG B 61 9.690 -14.374 1.366 1.00 0.00 C ATOM 627 CD ARG B 61 9.375 -14.133 2.834 1.00 0.00 C ATOM 628 NE ARG B 61 9.253 -12.710 3.141 1.00 0.00 N ATOM 629 CZ ARG B 61 8.844 -12.244 4.316 1.00 0.00 C ATOM 630 NH1 ARG B 61 8.520 -13.084 5.289 1.00 0.00 N ATOM 631 NH2 ARG B 61 8.759 -10.936 4.519 1.00 0.00 N ATOM 0 HA ARG B 61 11.648 -16.743 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG B 61 9.703 -16.513 1.334 1.00 0.00 H new ATOM 0 HB3 ARG B 61 11.196 -15.795 1.905 1.00 0.00 H new ATOM 0 HG2 ARG B 61 10.310 -13.561 0.988 1.00 0.00 H new ATOM 0 HG3 ARG B 61 8.766 -14.365 0.788 1.00 0.00 H new ATOM 0 HD2 ARG B 61 8.446 -14.641 3.094 1.00 0.00 H new ATOM 0 HD3 ARG B 61 10.161 -14.571 3.450 1.00 0.00 H new ATOM 0 HE ARG B 61 9.495 -12.037 2.413 1.00 0.00 H new ATOM 0 HH11 ARG B 61 8.584 -14.090 5.136 1.00 0.00 H new ATOM 0 HH12 ARG B 61 8.206 -12.724 6.190 1.00 0.00 H new ATOM 0 HH21 ARG B 61 9.008 -10.287 3.773 1.00 0.00 H new ATOM 0 HH22 ARG B 61 8.445 -10.579 5.421 1.00 0.00 H new ATOM 645 N VAL B 62 10.036 -17.068 -2.094 1.00 0.00 N ATOM 646 CA VAL B 62 9.046 -17.349 -3.127 1.00 0.00 C ATOM 647 C VAL B 62 8.876 -18.850 -3.331 1.00 0.00 C ATOM 648 O VAL B 62 9.731 -19.641 -2.933 1.00 0.00 O ATOM 649 CB VAL B 62 9.435 -16.701 -4.469 1.00 0.00 C ATOM 650 CG1 VAL B 62 9.194 -15.199 -4.426 1.00 0.00 C ATOM 651 CG2 VAL B 62 10.886 -17.006 -4.807 1.00 0.00 C ATOM 0 H VAL B 62 10.816 -17.725 -2.068 1.00 0.00 H new ATOM 0 HA VAL B 62 8.103 -16.922 -2.786 1.00 0.00 H new ATOM 0 HB VAL B 62 8.807 -17.124 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL B 62 9.474 -14.758 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL B 62 8.139 -15.005 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL B 62 9.796 -14.757 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL B 62 11.144 -16.540 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL B 62 11.533 -16.612 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL B 62 11.023 -18.085 -4.882 1.00 0.00 H new ATOM 661 N GLN B 63 7.767 -19.235 -3.954 1.00 0.00 N ATOM 662 CA GLN B 63 7.485 -20.643 -4.210 1.00 0.00 C ATOM 663 C GLN B 63 8.346 -21.171 -5.353 1.00 0.00 C ATOM 664 O GLN B 63 8.889 -20.398 -6.143 1.00 0.00 O ATOM 665 CB GLN B 63 6.004 -20.836 -4.541 1.00 0.00 C ATOM 666 CG GLN B 63 5.500 -19.915 -5.640 1.00 0.00 C ATOM 667 CD GLN B 63 4.346 -20.513 -6.420 1.00 0.00 C ATOM 668 OE1 GLN B 63 4.409 -21.660 -6.864 1.00 0.00 O ATOM 669 NE2 GLN B 63 3.281 -19.738 -6.590 1.00 0.00 N ATOM 0 H GLN B 63 7.050 -18.593 -4.291 1.00 0.00 H new ATOM 0 HA GLN B 63 7.725 -21.206 -3.308 1.00 0.00 H new ATOM 0 HB2 GLN B 63 5.840 -21.871 -4.842 1.00 0.00 H new ATOM 0 HB3 GLN B 63 5.414 -20.669 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN B 63 5.184 -18.969 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN B 63 6.318 -19.691 -6.324 1.00 0.00 H new ATOM 0 HE21 GLN B 63 3.271 -18.793 -6.205 1.00 0.00 H new ATOM 0 HE22 GLN B 63 2.473 -20.087 -7.105 1.00 0.00 H new ATOM 678 N LEU B 64 8.466 -22.491 -5.435 1.00 0.00 N ATOM 679 CA LEU B 64 9.261 -23.123 -6.482 1.00 0.00 C ATOM 680 C LEU B 64 10.687 -22.582 -6.484 1.00 0.00 C ATOM 681 O LEU B 64 11.056 -21.774 -5.632 1.00 0.00 O ATOM 682 CB LEU B 64 8.615 -22.895 -7.849 1.00 0.00 C ATOM 683 CG LEU B 64 7.257 -23.564 -8.070 1.00 0.00 C ATOM 684 CD1 LEU B 64 6.763 -23.314 -9.486 1.00 0.00 C ATOM 685 CD2 LEU B 64 7.346 -25.056 -7.789 1.00 0.00 C ATOM 0 H LEU B 64 8.023 -23.145 -4.789 1.00 0.00 H new ATOM 0 HA LEU B 64 9.298 -24.193 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU B 64 8.497 -21.822 -7.998 1.00 0.00 H new ATOM 0 HB3 LEU B 64 9.302 -23.250 -8.617 1.00 0.00 H new ATOM 0 HG LEU B 64 6.540 -23.126 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU B 64 5.796 -23.797 -9.625 1.00 0.00 H new ATOM 0 HD12 LEU B 64 6.660 -22.242 -9.651 1.00 0.00 H new ATOM 0 HD13 LEU B 64 7.479 -23.724 -10.199 1.00 0.00 H new ATOM 0 HD21 LEU B 64 6.371 -25.516 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU B 64 8.077 -25.509 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU B 64 7.654 -25.214 -6.755 1.00 0.00 H new ATOM 697 N ALA B 65 11.484 -23.031 -7.449 1.00 0.00 N ATOM 698 CA ALA B 65 12.868 -22.588 -7.565 1.00 0.00 C ATOM 699 C ALA B 65 12.948 -21.188 -8.163 1.00 0.00 C ATOM 700 O ALA B 65 13.588 -20.978 -9.194 1.00 0.00 O ATOM 701 CB ALA B 65 13.667 -23.571 -8.407 1.00 0.00 C ATOM 0 H ALA B 65 11.195 -23.701 -8.161 1.00 0.00 H new ATOM 0 HA ALA B 65 13.297 -22.551 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA B 65 14.699 -23.228 -8.486 1.00 0.00 H new ATOM 0 HB2 ALA B 65 13.646 -24.554 -7.936 1.00 0.00 H new ATOM 0 HB3 ALA B 65 13.230 -23.636 -9.403 1.00 0.00 H new ATOM 707 N HIS B 66 12.293 -20.232 -7.511 1.00 0.00 N ATOM 708 CA HIS B 66 12.290 -18.851 -7.979 1.00 0.00 C ATOM 709 C HIS B 66 12.004 -18.785 -9.476 1.00 0.00 C ATOM 710 O HIS B 66 12.924 -18.730 -10.293 1.00 0.00 O ATOM 711 CB HIS B 66 13.633 -18.184 -7.676 1.00 0.00 C ATOM 712 CG HIS B 66 13.781 -16.828 -8.294 1.00 0.00 C ATOM 713 ND1 HIS B 66 14.984 -16.344 -8.764 1.00 0.00 N ATOM 714 CD2 HIS B 66 12.870 -15.853 -8.519 1.00 0.00 C ATOM 715 CE1 HIS B 66 14.806 -15.128 -9.250 1.00 0.00 C ATOM 716 NE2 HIS B 66 13.532 -14.807 -9.114 1.00 0.00 N ATOM 0 H HIS B 66 11.758 -20.389 -6.657 1.00 0.00 H new ATOM 0 HA HIS B 66 11.500 -18.317 -7.451 1.00 0.00 H new ATOM 0 HB2 HIS B 66 13.751 -18.097 -6.596 1.00 0.00 H new ATOM 0 HB3 HIS B 66 14.437 -18.827 -8.033 1.00 0.00 H new ATOM 0 HD2 HIS B 66 11.818 -15.890 -8.276 1.00 0.00 H new ATOM 0 HE1 HIS B 66 15.572 -14.503 -9.685 1.00 0.00 H new ATOM 0 HE2 HIS B 66 13.109 -13.925 -9.404 1.00 0.00 H new ATOM 724 N HIS B 67 10.722 -18.793 -9.830 1.00 0.00 N ATOM 725 CA HIS B 67 10.315 -18.735 -11.229 1.00 0.00 C ATOM 726 C HIS B 67 11.003 -17.579 -11.948 1.00 0.00 C ATOM 727 O HIS B 67 11.577 -16.694 -11.313 1.00 0.00 O ATOM 728 CB HIS B 67 8.797 -18.586 -11.334 1.00 0.00 C ATOM 729 CG HIS B 67 8.228 -17.570 -10.392 1.00 0.00 C ATOM 730 ND1 HIS B 67 6.949 -17.648 -9.884 1.00 0.00 N ATOM 731 CD2 HIS B 67 8.774 -16.449 -9.863 1.00 0.00 C ATOM 732 CE1 HIS B 67 6.731 -16.618 -9.085 1.00 0.00 C ATOM 733 NE2 HIS B 67 7.823 -15.876 -9.055 1.00 0.00 N ATOM 0 H HIS B 67 9.948 -18.839 -9.167 1.00 0.00 H new ATOM 0 HA HIS B 67 10.615 -19.667 -11.708 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.537 -18.308 -12.355 1.00 0.00 H new ATOM 0 HB3 HIS B 67 8.331 -19.552 -11.138 1.00 0.00 H new ATOM 0 HD2 HIS B 67 9.771 -16.076 -10.043 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.816 -16.417 -8.548 1.00 0.00 H new ATOM 0 HE2 HIS B 67 7.941 -15.017 -8.519 1.00 0.00 H new ATOM 741 N PHE B 68 10.941 -17.592 -13.275 1.00 0.00 N ATOM 742 CA PHE B 68 11.559 -16.546 -14.080 1.00 0.00 C ATOM 743 C PHE B 68 10.864 -15.206 -13.857 1.00 0.00 C ATOM 744 O PHE B 68 11.508 -14.157 -13.832 1.00 0.00 O ATOM 745 CB PHE B 68 11.511 -16.918 -15.563 1.00 0.00 C ATOM 746 CG PHE B 68 12.829 -16.758 -16.265 1.00 0.00 C ATOM 747 CD1 PHE B 68 13.920 -17.531 -15.903 1.00 0.00 C ATOM 748 CD2 PHE B 68 12.977 -15.834 -17.287 1.00 0.00 C ATOM 749 CE1 PHE B 68 15.134 -17.387 -16.547 1.00 0.00 C ATOM 750 CE2 PHE B 68 14.189 -15.685 -17.935 1.00 0.00 C ATOM 751 CZ PHE B 68 15.269 -16.462 -17.563 1.00 0.00 C ATOM 0 H PHE B 68 10.468 -18.316 -13.816 1.00 0.00 H new ATOM 0 HA PHE B 68 12.600 -16.451 -13.770 1.00 0.00 H new ATOM 0 HB2 PHE B 68 11.181 -17.952 -15.659 1.00 0.00 H new ATOM 0 HB3 PHE B 68 10.766 -16.298 -16.061 1.00 0.00 H new ATOM 0 HD1 PHE B 68 13.821 -18.255 -15.108 1.00 0.00 H new ATOM 0 HD2 PHE B 68 12.136 -15.223 -17.581 1.00 0.00 H new ATOM 0 HE1 PHE B 68 15.976 -17.997 -16.256 1.00 0.00 H new ATOM 0 HE2 PHE B 68 14.291 -14.962 -18.731 1.00 0.00 H new ATOM 0 HZ PHE B 68 16.218 -16.346 -18.066 1.00 0.00 H new ATOM 761 N SER B 69 9.545 -15.250 -13.697 1.00 0.00 N ATOM 762 CA SER B 69 8.761 -14.039 -13.480 1.00 0.00 C ATOM 763 C SER B 69 9.132 -12.963 -14.496 1.00 0.00 C ATOM 764 O SER B 69 9.781 -13.243 -15.503 1.00 0.00 O ATOM 765 CB SER B 69 8.977 -13.513 -12.060 1.00 0.00 C ATOM 766 OG SER B 69 7.999 -12.545 -11.721 1.00 0.00 O ATOM 0 H SER B 69 8.997 -16.110 -13.713 1.00 0.00 H new ATOM 0 HA SER B 69 7.708 -14.289 -13.610 1.00 0.00 H new ATOM 0 HB2 SER B 69 8.935 -14.341 -11.352 1.00 0.00 H new ATOM 0 HB3 SER B 69 9.971 -13.074 -11.979 1.00 0.00 H new ATOM 0 HG SER B 69 8.158 -12.225 -10.808 1.00 0.00 H new ATOM 772 N GLU B 70 8.713 -11.731 -14.223 1.00 0.00 N ATOM 773 CA GLU B 70 9.000 -10.612 -15.113 1.00 0.00 C ATOM 774 C GLU B 70 8.559 -10.925 -16.540 1.00 0.00 C ATOM 775 O GLU B 70 9.375 -11.089 -17.447 1.00 0.00 O ATOM 776 CB GLU B 70 10.495 -10.284 -15.090 1.00 0.00 C ATOM 777 CG GLU B 70 11.099 -10.297 -13.696 1.00 0.00 C ATOM 778 CD GLU B 70 12.566 -9.914 -13.692 1.00 0.00 C ATOM 779 OE1 GLU B 70 13.094 -9.574 -14.772 1.00 0.00 O ATOM 780 OE2 GLU B 70 13.187 -9.954 -12.609 1.00 0.00 O ATOM 0 H GLU B 70 8.174 -11.483 -13.393 1.00 0.00 H new ATOM 0 HA GLU B 70 8.440 -9.747 -14.759 1.00 0.00 H new ATOM 0 HB2 GLU B 70 11.026 -11.003 -15.714 1.00 0.00 H new ATOM 0 HB3 GLU B 70 10.650 -9.301 -15.535 1.00 0.00 H new ATOM 0 HG2 GLU B 70 10.546 -9.608 -13.058 1.00 0.00 H new ATOM 0 HG3 GLU B 70 10.986 -11.291 -13.264 1.00 0.00 H new ATOM 787 N PRO B 71 7.236 -11.011 -16.744 1.00 0.00 N ATOM 788 CA PRO B 71 6.656 -11.305 -18.058 1.00 0.00 C ATOM 789 C PRO B 71 6.832 -10.152 -19.040 1.00 0.00 C ATOM 790 O PRO B 71 6.090 -9.172 -18.999 1.00 0.00 O ATOM 791 CB PRO B 71 5.173 -11.524 -17.749 1.00 0.00 C ATOM 792 CG PRO B 71 4.928 -10.752 -16.498 1.00 0.00 C ATOM 793 CD PRO B 71 6.206 -10.828 -15.709 1.00 0.00 C ATOM 0 HA PRO B 71 7.137 -12.159 -18.535 1.00 0.00 H new ATOM 0 HB2 PRO B 71 4.542 -11.168 -18.564 1.00 0.00 H new ATOM 0 HB3 PRO B 71 4.949 -12.582 -17.611 1.00 0.00 H new ATOM 0 HG2 PRO B 71 4.668 -9.717 -16.722 1.00 0.00 H new ATOM 0 HG3 PRO B 71 4.096 -11.175 -15.935 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.375 -9.920 -15.130 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.194 -11.659 -15.003 1.00 0.00 H new ATOM 801 N GLU B 72 7.818 -10.278 -19.923 1.00 0.00 N ATOM 802 CA GLU B 72 8.090 -9.245 -20.915 1.00 0.00 C ATOM 803 C GLU B 72 6.823 -8.882 -21.684 1.00 0.00 C ATOM 804 O GLU B 72 6.404 -7.725 -21.701 1.00 0.00 O ATOM 805 CB GLU B 72 9.174 -9.714 -21.888 1.00 0.00 C ATOM 806 CG GLU B 72 9.945 -8.576 -22.535 1.00 0.00 C ATOM 807 CD GLU B 72 10.980 -9.064 -23.530 1.00 0.00 C ATOM 808 OE1 GLU B 72 11.578 -10.134 -23.287 1.00 0.00 O ATOM 809 OE2 GLU B 72 11.192 -8.378 -24.551 1.00 0.00 O ATOM 0 H GLU B 72 8.441 -11.084 -19.971 1.00 0.00 H new ATOM 0 HA GLU B 72 8.443 -8.357 -20.390 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.873 -10.359 -21.356 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.713 -10.319 -22.669 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.246 -7.910 -23.041 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.439 -7.990 -21.760 1.00 0.00 H new ATOM 816 N ILE B 73 6.218 -9.880 -22.321 1.00 0.00 N ATOM 817 CA ILE B 73 4.999 -9.667 -23.091 1.00 0.00 C ATOM 818 C ILE B 73 3.964 -8.895 -22.280 1.00 0.00 C ATOM 819 O ILE B 73 3.459 -7.861 -22.718 1.00 0.00 O ATOM 820 CB ILE B 73 4.384 -11.001 -23.552 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.387 -11.785 -24.399 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.103 -10.751 -24.334 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.901 -13.163 -24.790 1.00 0.00 C ATOM 0 H ILE B 73 6.553 -10.844 -22.319 1.00 0.00 H new ATOM 0 HA ILE B 73 5.278 -9.083 -23.968 1.00 0.00 H new ATOM 0 HB ILE B 73 4.139 -11.595 -22.671 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.609 -11.217 -25.302 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.321 -11.882 -23.845 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.680 -11.703 -24.653 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.386 -10.229 -23.700 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.324 -10.141 -25.210 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.663 -13.661 -25.389 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.706 -13.748 -23.892 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.983 -13.074 -25.371 1.00 0.00 H new ATOM 835 N THR B 74 3.652 -9.404 -21.092 1.00 0.00 N ATOM 836 CA THR B 74 2.678 -8.763 -20.218 1.00 0.00 C ATOM 837 C THR B 74 2.971 -7.275 -20.065 1.00 0.00 C ATOM 838 O THR B 74 2.073 -6.440 -20.182 1.00 0.00 O ATOM 839 CB THR B 74 2.659 -9.417 -18.823 1.00 0.00 C ATOM 840 OG1 THR B 74 2.305 -10.800 -18.935 1.00 0.00 O ATOM 841 CG2 THR B 74 1.672 -8.708 -17.907 1.00 0.00 C ATOM 0 H THR B 74 4.060 -10.259 -20.713 1.00 0.00 H new ATOM 0 HA THR B 74 1.702 -8.892 -20.685 1.00 0.00 H new ATOM 0 HB THR B 74 3.657 -9.332 -18.392 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.297 -11.209 -18.044 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.676 -9.187 -16.928 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.961 -7.662 -17.801 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.671 -8.766 -18.336 1.00 0.00 H new ATOM 849 N LEU B 75 4.232 -6.949 -19.804 1.00 0.00 N ATOM 850 CA LEU B 75 4.644 -5.560 -19.637 1.00 0.00 C ATOM 851 C LEU B 75 4.268 -4.729 -20.859 1.00 0.00 C ATOM 852 O LEU B 75 3.674 -3.658 -20.735 1.00 0.00 O ATOM 853 CB LEU B 75 6.152 -5.480 -19.396 1.00 0.00 C ATOM 854 CG LEU B 75 6.652 -6.061 -18.072 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.168 -5.968 -17.987 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.005 -5.344 -16.897 1.00 0.00 C ATOM 0 H LEU B 75 4.987 -7.628 -19.703 1.00 0.00 H new ATOM 0 HA LEU B 75 4.122 -5.154 -18.771 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.658 -5.998 -20.211 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.453 -4.434 -19.447 1.00 0.00 H new ATOM 0 HG LEU B 75 6.370 -7.113 -18.029 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.506 -6.386 -17.039 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.614 -6.528 -18.809 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.473 -4.923 -18.052 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.372 -5.770 -15.964 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.255 -4.284 -16.935 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.923 -5.463 -16.949 1.00 0.00 H new ATOM 868 N ILE B 76 4.617 -5.231 -22.039 1.00 0.00 N ATOM 869 CA ILE B 76 4.313 -4.536 -23.284 1.00 0.00 C ATOM 870 C ILE B 76 2.820 -4.251 -23.405 1.00 0.00 C ATOM 871 O ILE B 76 2.416 -3.138 -23.741 1.00 0.00 O ATOM 872 CB ILE B 76 4.770 -5.351 -24.509 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.249 -5.720 -24.381 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.522 -4.567 -25.789 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.168 -4.520 -24.327 1.00 0.00 C ATOM 0 H ILE B 76 5.110 -6.116 -22.159 1.00 0.00 H new ATOM 0 HA ILE B 76 4.859 -3.593 -23.260 1.00 0.00 H new ATOM 0 HB ILE B 76 4.188 -6.272 -24.552 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.390 -6.316 -23.479 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.533 -6.347 -25.226 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.850 -5.156 -26.646 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.458 -4.351 -25.883 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.080 -3.631 -25.757 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.201 -4.856 -24.236 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.056 -3.935 -25.240 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.910 -3.903 -23.466 1.00 0.00 H new ATOM 887 N ILE B 77 2.006 -5.264 -23.127 1.00 0.00 N ATOM 888 CA ILE B 77 0.557 -5.121 -23.201 1.00 0.00 C ATOM 889 C ILE B 77 0.053 -4.097 -22.191 1.00 0.00 C ATOM 890 O ILE B 77 -0.706 -3.190 -22.535 1.00 0.00 O ATOM 891 CB ILE B 77 -0.154 -6.464 -22.952 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.208 -7.469 -24.047 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.661 -6.262 -22.889 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.396 -7.139 -25.394 1.00 0.00 C ATOM 0 H ILE B 77 2.325 -6.192 -22.849 1.00 0.00 H new ATOM 0 HA ILE B 77 0.325 -4.777 -24.209 1.00 0.00 H new ATOM 0 HB ILE B 77 0.180 -6.863 -21.994 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.293 -7.512 -24.145 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.124 -8.461 -23.742 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.149 -7.220 -22.713 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.903 -5.577 -22.077 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.012 -5.844 -23.833 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.097 -7.894 -26.121 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.483 -7.125 -25.312 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.044 -6.161 -25.721 1.00 0.00 H new ATOM 906 N PHE B 78 0.482 -4.245 -20.942 1.00 0.00 N ATOM 907 CA PHE B 78 0.074 -3.332 -19.880 1.00 0.00 C ATOM 908 C PHE B 78 0.384 -1.887 -20.257 1.00 0.00 C ATOM 909 O PHE B 78 -0.460 -1.002 -20.115 1.00 0.00 O ATOM 910 CB PHE B 78 0.780 -3.691 -18.571 1.00 0.00 C ATOM 911 CG PHE B 78 0.635 -2.644 -17.504 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.433 -2.679 -16.622 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.565 -1.625 -17.384 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.570 -1.716 -15.640 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.434 -0.659 -16.404 1.00 0.00 C ATOM 916 CZ PHE B 78 0.365 -0.705 -15.530 1.00 0.00 C ATOM 0 H PHE B 78 1.112 -4.988 -20.640 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.003 -3.431 -19.744 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.381 -4.635 -18.199 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.840 -3.850 -18.771 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.167 -3.468 -16.703 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.403 -1.585 -18.064 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.407 -1.754 -14.959 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.166 0.131 -16.322 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.261 0.048 -14.763 1.00 0.00 H new ATOM 926 N GLY B 79 1.601 -1.654 -20.740 1.00 0.00 N ATOM 927 CA GLY B 79 2.001 -0.315 -21.130 1.00 0.00 C ATOM 928 C GLY B 79 1.072 0.290 -22.163 1.00 0.00 C ATOM 929 O GLY B 79 0.545 1.386 -21.970 1.00 0.00 O ATOM 0 H GLY B 79 2.317 -2.369 -20.868 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.025 0.325 -20.248 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.015 -0.344 -21.530 1.00 0.00 H new ATOM 933 N VAL B 80 0.871 -0.425 -23.266 1.00 0.00 N ATOM 934 CA VAL B 80 -0.001 0.048 -24.335 1.00 0.00 C ATOM 935 C VAL B 80 -1.436 0.207 -23.845 1.00 0.00 C ATOM 936 O VAL B 80 -2.151 1.113 -24.271 1.00 0.00 O ATOM 937 CB VAL B 80 0.015 -0.912 -25.539 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.848 -0.369 -26.667 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.441 -1.148 -26.013 1.00 0.00 C ATOM 0 H VAL B 80 1.300 -1.333 -23.442 1.00 0.00 H new ATOM 0 HA VAL B 80 0.382 1.019 -24.649 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.402 -1.869 -25.224 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.824 -1.061 -27.509 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.875 -0.257 -26.318 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.465 0.601 -26.984 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.433 -1.829 -26.864 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.887 -0.199 -26.311 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.026 -1.586 -25.204 1.00 0.00 H new ATOM 949 N MET B 81 -1.849 -0.680 -22.946 1.00 0.00 N ATOM 950 CA MET B 81 -3.199 -0.637 -22.395 1.00 0.00 C ATOM 951 C MET B 81 -3.405 0.621 -21.558 1.00 0.00 C ATOM 952 O MET B 81 -4.428 1.296 -21.676 1.00 0.00 O ATOM 953 CB MET B 81 -3.465 -1.880 -21.543 1.00 0.00 C ATOM 954 CG MET B 81 -3.756 -3.127 -22.362 1.00 0.00 C ATOM 955 SD MET B 81 -5.439 -3.159 -23.007 1.00 0.00 S ATOM 956 CE MET B 81 -5.143 -3.649 -24.704 1.00 0.00 C ATOM 0 H MET B 81 -1.269 -1.437 -22.584 1.00 0.00 H new ATOM 0 HA MET B 81 -3.903 -0.618 -23.227 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.600 -2.067 -20.907 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.310 -1.684 -20.882 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.052 -3.184 -23.192 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.591 -4.009 -21.744 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.093 -3.713 -25.235 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.504 -2.911 -25.190 1.00 0.00 H new ATOM 0 HE3 MET B 81 -4.651 -4.622 -24.721 1.00 0.00 H new ATOM 966 N ALA B 82 -2.428 0.931 -20.713 1.00 0.00 N ATOM 967 CA ALA B 82 -2.502 2.109 -19.858 1.00 0.00 C ATOM 968 C ALA B 82 -2.467 3.390 -20.684 1.00 0.00 C ATOM 969 O ALA B 82 -3.268 4.300 -20.471 1.00 0.00 O ATOM 970 CB ALA B 82 -1.365 2.100 -18.847 1.00 0.00 C ATOM 0 H ALA B 82 -1.575 0.382 -20.602 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.451 2.079 -19.322 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.433 2.986 -18.215 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.436 1.206 -18.227 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.410 2.102 -19.373 1.00 0.00 H new ATOM 976 N GLY B 83 -1.532 3.455 -21.628 1.00 0.00 N ATOM 977 CA GLY B 83 -1.411 4.630 -22.471 1.00 0.00 C ATOM 978 C GLY B 83 -2.656 4.882 -23.298 1.00 0.00 C ATOM 979 O GLY B 83 -3.208 5.982 -23.283 1.00 0.00 O ATOM 0 H GLY B 83 -0.857 2.716 -21.823 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.210 5.501 -21.848 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.555 4.510 -23.136 1.00 0.00 H new ATOM 983 N VAL B 84 -3.099 3.860 -24.023 1.00 0.00 N ATOM 984 CA VAL B 84 -4.287 3.976 -24.861 1.00 0.00 C ATOM 985 C VAL B 84 -5.476 4.497 -24.060 1.00 0.00 C ATOM 986 O VAL B 84 -6.051 5.535 -24.388 1.00 0.00 O ATOM 987 CB VAL B 84 -4.662 2.623 -25.494 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.033 2.700 -26.148 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.605 2.195 -26.500 1.00 0.00 C ATOM 0 H VAL B 84 -2.654 2.943 -24.047 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.047 4.685 -25.653 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.705 1.872 -24.705 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.280 1.735 -26.590 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.780 2.958 -25.397 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.022 3.463 -26.926 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.886 1.237 -26.938 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.527 2.945 -27.287 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.643 2.096 -25.997 1.00 0.00 H new ATOM 999 N ILE B 85 -5.838 3.769 -23.009 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.957 4.159 -22.160 1.00 0.00 C ATOM 1001 C ILE B 85 -6.771 5.573 -21.619 1.00 0.00 C ATOM 1002 O ILE B 85 -7.716 6.358 -21.567 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.131 3.188 -20.977 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.433 1.778 -21.487 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.238 3.672 -20.053 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.757 1.668 -22.211 1.00 0.00 C ATOM 0 H ILE B 85 -5.373 2.907 -22.725 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.851 4.126 -22.782 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.200 3.157 -20.411 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.634 1.464 -22.158 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.431 1.087 -20.644 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.349 2.975 -19.222 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.984 4.659 -19.667 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.175 3.729 -20.607 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.905 0.641 -22.545 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.565 1.950 -21.536 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.756 2.333 -23.074 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.543 5.891 -21.220 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.254 7.211 -20.690 1.00 0.00 C ATOM 1020 C GLY B 86 -5.572 8.315 -21.679 1.00 0.00 C ATOM 1021 O GLY B 86 -6.276 9.270 -21.350 1.00 0.00 O ATOM 0 H GLY B 86 -4.744 5.258 -21.254 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.830 7.367 -19.778 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.201 7.266 -20.415 1.00 0.00 H new ATOM 1025 N THR B 87 -5.051 8.186 -22.895 1.00 0.00 N ATOM 1026 CA THR B 87 -5.281 9.182 -23.934 1.00 0.00 C ATOM 1027 C THR B 87 -6.771 9.374 -24.192 1.00 0.00 C ATOM 1028 O THR B 87 -7.251 10.503 -24.302 1.00 0.00 O ATOM 1029 CB THR B 87 -4.591 8.787 -25.253 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.319 8.187 -24.980 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.402 10.001 -26.150 1.00 0.00 C ATOM 0 H THR B 87 -4.467 7.402 -23.185 1.00 0.00 H new ATOM 0 HA THR B 87 -4.854 10.118 -23.574 1.00 0.00 H new ATOM 0 HB THR B 87 -5.228 8.069 -25.770 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.812 8.759 -24.367 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.913 9.697 -27.075 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.374 10.438 -26.380 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.784 10.739 -25.638 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.498 8.266 -24.286 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.935 8.314 -24.528 1.00 0.00 C ATOM 1041 C ILE B 88 -9.638 9.188 -23.495 1.00 0.00 C ATOM 1042 O ILE B 88 -10.409 10.083 -23.844 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.558 6.906 -24.502 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.908 6.018 -25.566 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.061 6.988 -24.719 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.043 4.538 -25.281 1.00 0.00 C ATOM 0 H ILE B 88 -7.116 7.324 -24.198 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.073 8.745 -25.520 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.376 6.462 -23.524 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.358 6.236 -26.534 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.850 6.270 -25.642 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.487 5.985 -24.698 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.510 7.590 -23.929 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.264 7.448 -25.686 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.560 3.969 -26.075 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.568 4.306 -24.328 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.099 4.271 -25.234 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.366 8.924 -22.222 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.971 9.688 -21.136 1.00 0.00 C ATOM 1060 C LEU B 89 -9.680 11.177 -21.290 1.00 0.00 C ATOM 1061 O LEU B 89 -10.594 12.003 -21.287 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.450 9.192 -19.786 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.026 7.864 -19.291 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.087 7.217 -18.284 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.403 8.075 -18.679 1.00 0.00 C ATOM 0 H LEU B 89 -8.731 8.187 -21.916 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.050 9.541 -21.179 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.366 9.093 -19.851 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.656 9.956 -19.037 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.128 7.194 -20.145 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.513 6.274 -17.943 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.122 7.030 -18.755 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.952 7.883 -17.432 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.797 7.120 -18.332 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.325 8.763 -17.837 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.074 8.494 -19.429 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.402 11.514 -21.426 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.990 12.905 -21.584 1.00 0.00 C ATOM 1079 C LEU B 90 -8.668 13.539 -22.794 1.00 0.00 C ATOM 1080 O LEU B 90 -9.270 14.608 -22.691 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.470 12.993 -21.731 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.656 12.722 -20.466 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.192 12.501 -20.810 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.807 13.871 -19.479 1.00 0.00 C ATOM 0 H LEU B 90 -7.633 10.844 -21.430 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.295 13.453 -20.692 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.158 12.285 -22.498 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.217 13.989 -22.095 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.038 11.815 -19.998 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.629 12.310 -19.897 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.101 11.645 -21.479 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.796 13.390 -21.301 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.221 13.661 -18.584 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.452 14.794 -19.938 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.857 13.982 -19.207 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.567 12.873 -23.939 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.173 13.370 -25.168 1.00 0.00 C ATOM 1098 C ILE B 91 -10.664 13.632 -24.979 1.00 0.00 C ATOM 1099 O ILE B 91 -11.171 14.690 -25.352 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.981 12.379 -26.332 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.512 12.335 -26.755 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.865 12.766 -27.508 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.012 13.637 -27.341 1.00 0.00 C ATOM 0 H ILE B 91 -8.071 11.988 -24.041 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.670 14.306 -25.412 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.273 11.384 -25.995 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.901 12.077 -25.890 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.377 11.540 -27.489 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.718 12.057 -28.322 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.910 12.751 -27.198 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.601 13.768 -27.847 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.963 13.532 -27.618 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.598 13.887 -28.225 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.114 14.432 -26.602 1.00 0.00 H new ATOM 1115 N SER B 92 -11.360 12.662 -24.395 1.00 0.00 N ATOM 1116 CA SER B 92 -12.793 12.786 -24.158 1.00 0.00 C ATOM 1117 C SER B 92 -13.104 14.046 -23.356 1.00 0.00 C ATOM 1118 O SER B 92 -14.154 14.664 -23.531 1.00 0.00 O ATOM 1119 CB SER B 92 -13.318 11.554 -23.417 1.00 0.00 C ATOM 1120 OG SER B 92 -14.735 11.523 -23.420 1.00 0.00 O ATOM 0 H SER B 92 -10.955 11.782 -24.077 1.00 0.00 H new ATOM 0 HA SER B 92 -13.291 12.859 -25.125 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.930 10.650 -23.887 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.953 11.561 -22.390 1.00 0.00 H new ATOM 0 HG SER B 92 -15.046 10.726 -22.942 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.183 14.421 -22.476 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.357 15.606 -21.644 1.00 0.00 C ATOM 1128 C TYR B 93 -12.214 16.879 -22.472 1.00 0.00 C ATOM 1129 O TYR B 93 -12.908 17.867 -22.238 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.339 15.609 -20.503 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.883 15.060 -19.204 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -13.004 15.621 -18.605 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.276 13.980 -18.574 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -13.505 15.123 -17.418 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.770 13.475 -17.388 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.885 14.050 -16.813 1.00 0.00 C ATOM 1137 OH TYR B 93 -13.380 13.550 -15.630 1.00 0.00 O ATOM 0 H TYR B 93 -11.308 13.921 -22.320 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.362 15.579 -21.224 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.471 15.021 -20.801 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.992 16.629 -20.339 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.492 16.461 -19.076 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.403 13.528 -19.020 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -14.377 15.571 -16.966 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -11.286 12.634 -16.913 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.829 12.794 -15.338 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.306 16.846 -23.444 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.087 18.002 -24.294 1.00 0.00 C ATOM 1149 C GLY B 94 -12.292 18.326 -25.154 1.00 0.00 C ATOM 1150 O GLY B 94 -12.602 19.495 -25.385 1.00 0.00 O ATOM 0 H GLY B 94 -10.719 16.040 -23.657 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.845 18.865 -23.673 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -10.225 17.819 -24.936 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.972 17.289 -25.632 1.00 0.00 N ATOM 1155 CA ILE B 95 -14.149 17.469 -26.472 1.00 0.00 C ATOM 1156 C ILE B 95 -15.283 18.130 -25.695 1.00 0.00 C ATOM 1157 O ILE B 95 -16.090 18.867 -26.262 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.645 16.127 -27.042 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.543 15.459 -27.866 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.892 16.340 -27.888 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.090 16.284 -29.050 1.00 0.00 C ATOM 0 H ILE B 95 -12.728 16.315 -25.452 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.852 18.116 -27.297 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.901 15.469 -26.212 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.686 15.263 -27.221 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.902 14.493 -28.222 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.231 15.383 -28.284 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.679 16.777 -27.273 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.661 17.013 -28.714 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.308 15.749 -29.588 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.935 16.458 -29.716 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.701 17.240 -28.700 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.337 17.862 -24.395 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.372 18.430 -23.540 1.00 0.00 C ATOM 1175 C ARG B 96 -16.094 19.904 -23.258 1.00 0.00 C ATOM 1176 O ARG B 96 -17.015 20.682 -23.005 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.458 17.656 -22.223 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.564 16.613 -22.202 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.903 17.230 -21.831 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.618 17.732 -23.001 1.00 0.00 N ATOM 1181 CZ ARG B 96 -20.646 18.569 -22.931 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -21.078 18.997 -21.753 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -21.245 18.981 -24.041 1.00 0.00 N ATOM 0 H ARG B 96 -14.676 17.255 -23.910 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.325 18.350 -24.063 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.503 17.165 -22.037 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.619 18.360 -21.407 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.639 16.140 -23.181 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.313 15.829 -21.488 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -19.517 16.486 -21.323 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.743 18.046 -21.126 1.00 0.00 H new ATOM 0 HE ARG B 96 -19.311 17.422 -23.923 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -20.620 18.683 -20.897 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.868 19.640 -21.702 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.916 18.655 -24.950 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -22.035 19.624 -23.986 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.821 20.280 -23.302 1.00 0.00 N ATOM 1198 CA ARG B 97 -14.422 21.660 -23.049 1.00 0.00 C ATOM 1199 C ARG B 97 -14.453 21.970 -21.556 1.00 0.00 C ATOM 1200 O ARG B 97 -13.532 22.589 -21.020 1.00 0.00 O ATOM 1201 CB ARG B 97 -15.342 22.624 -23.800 1.00 0.00 C ATOM 1202 CG ARG B 97 -14.612 23.806 -24.418 1.00 0.00 C ATOM 1203 CD ARG B 97 -15.557 24.968 -24.683 1.00 0.00 C ATOM 1204 NE ARG B 97 -15.819 25.746 -23.475 1.00 0.00 N ATOM 1205 CZ ARG B 97 -16.616 26.808 -23.444 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -17.227 27.215 -24.548 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -16.805 27.465 -22.306 1.00 0.00 N ATOM 0 H ARG B 97 -14.047 19.649 -23.510 1.00 0.00 H new ATOM 0 HA ARG B 97 -13.401 21.788 -23.408 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -15.862 22.078 -24.587 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -16.103 22.996 -23.114 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -13.813 24.130 -23.751 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -14.143 23.497 -25.352 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -15.128 25.617 -25.447 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -16.498 24.587 -25.080 1.00 0.00 H new ATOM 0 HE ARG B 97 -15.365 25.458 -22.608 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -17.086 26.712 -25.424 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -17.839 28.031 -24.521 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -16.338 27.154 -21.454 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -17.417 28.280 -22.284 1.00 0.00 H new ATOM 1221 N LEU B 98 -15.517 21.537 -20.889 1.00 0.00 N ATOM 1222 CA LEU B 98 -15.668 21.768 -19.456 1.00 0.00 C ATOM 1223 C LEU B 98 -14.872 20.745 -18.652 1.00 0.00 C ATOM 1224 O LEU B 98 -13.712 20.976 -18.311 1.00 0.00 O ATOM 1225 CB LEU B 98 -17.145 21.705 -19.063 1.00 0.00 C ATOM 1226 CG LEU B 98 -17.464 22.016 -17.600 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -17.321 23.506 -17.328 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -18.865 21.539 -17.246 1.00 0.00 C ATOM 0 H LEU B 98 -16.288 21.024 -21.317 1.00 0.00 H new ATOM 0 HA LEU B 98 -15.280 22.761 -19.230 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -17.698 22.404 -19.691 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -17.519 20.707 -19.291 1.00 0.00 H new ATOM 0 HG LEU B 98 -16.751 21.483 -16.971 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -17.552 23.709 -16.282 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -16.299 23.818 -17.541 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -18.010 24.060 -17.966 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -19.074 21.769 -16.201 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -19.593 22.044 -17.881 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -18.933 20.462 -17.401 1.00 0.00 H new TER 1240 LEU B 98