USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 716 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 10 THR OG1 : rot 180:sc= -0.0341 USER MOD Set 1.2: A 81 LYS NZ :NH3+ -177:sc= -2.04! (180deg=-3.28!) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0128) USER MOD Single : A 2 SER OG : rot 44:sc= 0.792 USER MOD Single : A 3 SER OG : rot 28:sc= 0.281 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 7:sc= 0.102 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.0685 X(o=-0.069,f=-0.28) USER MOD Single : A 17 HIS : no HD1:sc= -0.72 X(o=-0.72,f=-1.1) USER MOD Single : A 21 GLN : amide:sc= -0.875 K(o=-0.88,f=-1.5) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 55 ASN : amide:sc= -3.87 K(o=-3.9,f=-4.6!) USER MOD Single : A 57 GLN : amide:sc= -2.65! K(o=-2.7!,f=-0.48) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 177:sc= -0.737 USER MOD Single : A 64 HIS : no HE2:sc= -9.86! C(o=-9.9!,f=-10!) USER MOD Single : A 72 THR OG1 : rot 80:sc= 0.235 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -5.14! C(o=-5.1!,f=-6.2!) USER MOD Single : A 82 THR OG1 : rot 25:sc= 0.959 USER MOD Single : A 83 MET CE :methyl 160:sc= -0.36 (180deg=-0.449) USER MOD Single : A 87 THR OG1 : rot -170:sc= -0.965 USER MOD Single : A 88 TYR OH : rot 135:sc= -1.14 USER MOD Single : A 92 THR OG1 : rot -28:sc= 1.13 USER MOD Single : A 94 GLN : amide:sc= -2.94! C(o=-2.9!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.010 21.812 -16.570 1.00 0.00 N ATOM 2 CA GLY A 1 4.939 21.536 -17.509 1.00 0.00 C ATOM 3 C GLY A 1 4.138 20.305 -17.131 1.00 0.00 C ATOM 4 O GLY A 1 2.909 20.313 -17.194 1.00 0.00 O ATOM 0 H1 GLY A 1 6.473 22.708 -16.825 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.619 21.885 -15.609 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.707 21.041 -16.602 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.273 22.398 -17.559 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.360 21.400 -18.505 1.00 0.00 H new ATOM 8 N SER A 2 4.837 19.245 -16.737 1.00 0.00 N ATOM 9 CA SER A 2 4.183 17.999 -16.353 1.00 0.00 C ATOM 10 C SER A 2 4.644 17.549 -14.970 1.00 0.00 C ATOM 11 O SER A 2 5.591 16.774 -14.841 1.00 0.00 O ATOM 12 CB SER A 2 4.477 16.906 -17.382 1.00 0.00 C ATOM 13 OG SER A 2 5.870 16.666 -17.488 1.00 0.00 O ATOM 0 H SER A 2 5.855 19.224 -16.675 1.00 0.00 H new ATOM 0 HA SER A 2 3.108 18.176 -16.319 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.967 15.986 -17.096 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.081 17.201 -18.354 1.00 0.00 H new ATOM 0 HG SER A 2 6.266 16.637 -16.592 1.00 0.00 H new ATOM 19 N SER A 3 3.966 18.041 -13.938 1.00 0.00 N ATOM 20 CA SER A 3 4.306 17.693 -12.563 1.00 0.00 C ATOM 21 C SER A 3 3.053 17.353 -11.763 1.00 0.00 C ATOM 22 O SER A 3 2.166 18.189 -11.591 1.00 0.00 O ATOM 23 CB SER A 3 5.056 18.847 -11.894 1.00 0.00 C ATOM 24 OG SER A 3 4.324 20.056 -11.993 1.00 0.00 O ATOM 0 H SER A 3 3.178 18.682 -14.028 1.00 0.00 H new ATOM 0 HA SER A 3 4.951 16.814 -12.585 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.233 18.610 -10.845 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.033 18.970 -12.362 1.00 0.00 H new ATOM 0 HG SER A 3 3.366 19.855 -12.043 1.00 0.00 H new ATOM 30 N GLY A 4 2.987 16.119 -11.274 1.00 0.00 N ATOM 31 CA GLY A 4 1.840 15.688 -10.497 1.00 0.00 C ATOM 32 C GLY A 4 1.416 14.270 -10.825 1.00 0.00 C ATOM 33 O GLY A 4 1.277 13.912 -11.994 1.00 0.00 O ATOM 0 H GLY A 4 3.708 15.409 -11.402 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.078 15.756 -9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.006 16.365 -10.681 1.00 0.00 H new ATOM 37 N SER A 5 1.212 13.461 -9.791 1.00 0.00 N ATOM 38 CA SER A 5 0.807 12.072 -9.975 1.00 0.00 C ATOM 39 C SER A 5 -0.578 11.990 -10.609 1.00 0.00 C ATOM 40 O SER A 5 -1.517 12.648 -10.162 1.00 0.00 O ATOM 41 CB SER A 5 0.812 11.335 -8.634 1.00 0.00 C ATOM 42 OG SER A 5 2.090 11.393 -8.025 1.00 0.00 O ATOM 0 H SER A 5 1.320 13.743 -8.817 1.00 0.00 H new ATOM 0 HA SER A 5 1.523 11.596 -10.645 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.069 11.777 -7.970 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.525 10.295 -8.786 1.00 0.00 H new ATOM 0 HG SER A 5 2.066 10.916 -7.169 1.00 0.00 H new ATOM 48 N SER A 6 -0.696 11.176 -11.654 1.00 0.00 N ATOM 49 CA SER A 6 -1.965 11.010 -12.353 1.00 0.00 C ATOM 50 C SER A 6 -2.134 9.573 -12.837 1.00 0.00 C ATOM 51 O SER A 6 -1.200 8.970 -13.364 1.00 0.00 O ATOM 52 CB SER A 6 -2.048 11.972 -13.539 1.00 0.00 C ATOM 53 OG SER A 6 -2.284 13.300 -13.103 1.00 0.00 O ATOM 0 H SER A 6 0.071 10.622 -12.035 1.00 0.00 H new ATOM 0 HA SER A 6 -2.769 11.237 -11.653 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.120 11.933 -14.109 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.848 11.659 -14.210 1.00 0.00 H new ATOM 0 HG SER A 6 -2.228 13.338 -12.125 1.00 0.00 H new ATOM 59 N GLY A 7 -3.334 9.030 -12.653 1.00 0.00 N ATOM 60 CA GLY A 7 -3.605 7.668 -13.075 1.00 0.00 C ATOM 61 C GLY A 7 -3.539 6.681 -11.927 1.00 0.00 C ATOM 62 O GLY A 7 -4.484 5.930 -11.690 1.00 0.00 O ATOM 0 H GLY A 7 -4.123 9.509 -12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.593 7.623 -13.533 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.886 7.378 -13.841 1.00 0.00 H new ATOM 66 N VAL A 8 -2.417 6.680 -11.213 1.00 0.00 N ATOM 67 CA VAL A 8 -2.231 5.777 -10.084 1.00 0.00 C ATOM 68 C VAL A 8 -2.954 6.291 -8.844 1.00 0.00 C ATOM 69 O VAL A 8 -2.941 7.488 -8.555 1.00 0.00 O ATOM 70 CB VAL A 8 -0.738 5.591 -9.754 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.560 4.580 -8.632 1.00 0.00 C ATOM 72 CG2 VAL A 8 0.032 5.164 -10.995 1.00 0.00 C ATOM 0 H VAL A 8 -1.624 7.294 -11.397 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.654 4.815 -10.375 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.337 6.546 -9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.501 4.462 -8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.078 4.932 -7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.976 3.620 -8.938 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.085 5.037 -10.744 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.369 4.221 -11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.068 5.928 -11.766 1.00 0.00 H new ATOM 82 N THR A 9 -3.584 5.378 -8.112 1.00 0.00 N ATOM 83 CA THR A 9 -4.314 5.738 -6.902 1.00 0.00 C ATOM 84 C THR A 9 -3.431 5.601 -5.667 1.00 0.00 C ATOM 85 O THR A 9 -2.851 4.544 -5.419 1.00 0.00 O ATOM 86 CB THR A 9 -5.569 4.865 -6.722 1.00 0.00 C ATOM 87 OG1 THR A 9 -6.373 4.912 -7.906 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.387 5.332 -5.528 1.00 0.00 C ATOM 0 H THR A 9 -3.604 4.383 -8.336 1.00 0.00 H new ATOM 0 HA THR A 9 -4.619 6.779 -7.014 1.00 0.00 H new ATOM 0 HB THR A 9 -5.248 3.839 -6.543 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.168 4.353 -7.784 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.269 4.700 -5.421 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.782 5.266 -4.624 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.698 6.365 -5.682 1.00 0.00 H new ATOM 96 N THR A 10 -3.334 6.678 -4.893 1.00 0.00 N ATOM 97 CA THR A 10 -2.522 6.677 -3.682 1.00 0.00 C ATOM 98 C THR A 10 -3.394 6.769 -2.435 1.00 0.00 C ATOM 99 O THR A 10 -4.366 7.523 -2.400 1.00 0.00 O ATOM 100 CB THR A 10 -1.517 7.845 -3.680 1.00 0.00 C ATOM 101 OG1 THR A 10 -0.882 7.948 -4.959 1.00 0.00 O ATOM 102 CG2 THR A 10 -0.465 7.651 -2.599 1.00 0.00 C ATOM 0 H THR A 10 -3.807 7.561 -5.083 1.00 0.00 H new ATOM 0 HA THR A 10 -1.974 5.735 -3.669 1.00 0.00 H new ATOM 0 HB THR A 10 -2.063 8.765 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.246 8.694 -4.949 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.233 8.488 -2.617 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.950 7.603 -1.624 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.076 6.723 -2.781 1.00 0.00 H new ATOM 110 N ALA A 11 -3.039 5.998 -1.413 1.00 0.00 N ATOM 111 CA ALA A 11 -3.788 5.995 -0.162 1.00 0.00 C ATOM 112 C ALA A 11 -2.881 6.313 1.022 1.00 0.00 C ATOM 113 O ALA A 11 -1.728 5.883 1.065 1.00 0.00 O ATOM 114 CB ALA A 11 -4.471 4.650 0.040 1.00 0.00 C ATOM 0 H ALA A 11 -2.237 5.367 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.550 6.772 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.027 4.661 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.157 4.463 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.719 3.862 0.073 1.00 0.00 H new ATOM 120 N ILE A 12 -3.409 7.068 1.979 1.00 0.00 N ATOM 121 CA ILE A 12 -2.646 7.443 3.163 1.00 0.00 C ATOM 122 C ILE A 12 -3.242 6.821 4.421 1.00 0.00 C ATOM 123 O ILE A 12 -4.462 6.761 4.578 1.00 0.00 O ATOM 124 CB ILE A 12 -2.592 8.973 3.337 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.110 9.638 2.046 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.684 9.342 4.501 1.00 0.00 C ATOM 127 CD1 ILE A 12 -0.719 9.213 1.630 1.00 0.00 C ATOM 0 H ILE A 12 -4.362 7.432 1.958 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.634 7.066 3.018 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.596 9.335 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.808 9.403 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.127 10.720 2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.656 10.426 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.067 8.894 5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.677 8.971 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.443 9.724 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.009 9.473 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.701 8.135 1.467 1.00 0.00 H new ATOM 139 N ILE A 13 -2.374 6.359 5.315 1.00 0.00 N ATOM 140 CA ILE A 13 -2.815 5.744 6.560 1.00 0.00 C ATOM 141 C ILE A 13 -2.332 6.540 7.768 1.00 0.00 C ATOM 142 O ILE A 13 -1.391 7.329 7.669 1.00 0.00 O ATOM 143 CB ILE A 13 -2.312 4.293 6.680 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.740 3.479 5.458 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.834 3.656 7.959 1.00 0.00 C ATOM 146 CD1 ILE A 13 -4.165 2.976 5.537 1.00 0.00 C ATOM 0 H ILE A 13 -1.361 6.399 5.200 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.905 5.742 6.542 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.223 4.303 6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.629 4.094 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.068 2.628 5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.470 2.631 8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.483 4.226 8.819 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.924 3.654 7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.400 2.407 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.277 2.335 6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.846 3.823 5.619 1.00 0.00 H new ATOM 158 N HIS A 14 -2.980 6.326 8.909 1.00 0.00 N ATOM 159 CA HIS A 14 -2.614 7.021 10.137 1.00 0.00 C ATOM 160 C HIS A 14 -2.167 6.032 11.210 1.00 0.00 C ATOM 161 O HIS A 14 -2.993 5.386 11.854 1.00 0.00 O ATOM 162 CB HIS A 14 -3.793 7.849 10.650 1.00 0.00 C ATOM 163 CG HIS A 14 -3.990 9.135 9.909 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.945 9.941 9.509 1.00 0.00 N ATOM 165 CD2 HIS A 14 -5.120 9.753 9.492 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.423 11.000 8.881 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.741 10.910 8.857 1.00 0.00 N ATOM 0 H HIS A 14 -3.761 5.677 9.008 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.781 7.687 9.913 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.703 7.254 10.577 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.640 8.068 11.707 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.131 9.401 9.633 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.837 11.803 8.459 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.374 11.590 8.435 1.00 0.00 H new ATOM 175 N ARG A 15 -0.856 5.919 11.394 1.00 0.00 N ATOM 176 CA ARG A 15 -0.300 5.007 12.386 1.00 0.00 C ATOM 177 C ARG A 15 0.329 5.779 13.542 1.00 0.00 C ATOM 178 O ARG A 15 1.535 6.025 13.574 1.00 0.00 O ATOM 179 CB ARG A 15 0.744 4.093 11.741 1.00 0.00 C ATOM 180 CG ARG A 15 0.158 2.825 11.144 1.00 0.00 C ATOM 181 CD ARG A 15 1.245 1.905 10.612 1.00 0.00 C ATOM 182 NE ARG A 15 2.185 1.507 11.657 1.00 0.00 N ATOM 183 CZ ARG A 15 3.094 0.550 11.503 1.00 0.00 C ATOM 184 NH1 ARG A 15 3.185 -0.103 10.352 1.00 0.00 N ATOM 185 NH2 ARG A 15 3.914 0.245 12.500 1.00 0.00 N ATOM 0 H ARG A 15 -0.159 6.448 10.869 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.114 4.397 12.779 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.265 4.646 10.959 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.489 3.822 12.489 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.425 2.301 11.901 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.527 3.085 10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.787 1.016 10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.786 2.408 9.810 1.00 0.00 H new ATOM 0 HE ARG A 15 2.141 1.990 12.554 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.557 0.129 9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.884 -0.837 10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.847 0.745 13.386 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.611 -0.490 12.380 1.00 0.00 H new ATOM 199 N PRO A 16 -0.506 6.172 14.515 1.00 0.00 N ATOM 200 CA PRO A 16 -0.055 6.922 15.691 1.00 0.00 C ATOM 201 C PRO A 16 0.796 6.072 16.629 1.00 0.00 C ATOM 202 O PRO A 16 1.520 6.599 17.475 1.00 0.00 O ATOM 203 CB PRO A 16 -1.362 7.329 16.375 1.00 0.00 C ATOM 204 CG PRO A 16 -2.353 6.306 15.939 1.00 0.00 C ATOM 205 CD PRO A 16 -1.956 5.914 14.543 1.00 0.00 C ATOM 0 HA PRO A 16 0.579 7.765 15.418 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.255 7.339 17.460 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.670 8.331 16.076 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.342 5.443 16.605 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.365 6.710 15.958 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.182 4.867 14.340 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.484 6.505 13.794 1.00 0.00 H new ATOM 213 N HIS A 17 0.703 4.755 16.475 1.00 0.00 N ATOM 214 CA HIS A 17 1.466 3.832 17.308 1.00 0.00 C ATOM 215 C HIS A 17 2.269 2.861 16.448 1.00 0.00 C ATOM 216 O HIS A 17 1.905 2.580 15.307 1.00 0.00 O ATOM 217 CB HIS A 17 0.529 3.057 18.235 1.00 0.00 C ATOM 218 CG HIS A 17 1.152 2.695 19.549 1.00 0.00 C ATOM 219 ND1 HIS A 17 1.452 1.398 19.907 1.00 0.00 N ATOM 220 CD2 HIS A 17 1.532 3.469 20.592 1.00 0.00 C ATOM 221 CE1 HIS A 17 1.989 1.390 21.114 1.00 0.00 C ATOM 222 NE2 HIS A 17 2.049 2.634 21.551 1.00 0.00 N ATOM 0 H HIS A 17 0.107 4.303 15.781 1.00 0.00 H new ATOM 0 HA HIS A 17 2.162 4.415 17.911 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.364 3.655 18.418 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.205 2.146 17.732 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.445 4.543 20.658 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.322 0.515 21.652 1.00 0.00 H new ATOM 0 HE2 HIS A 17 2.420 2.927 22.455 1.00 0.00 H new ATOM 230 N ALA A 18 3.363 2.352 17.005 1.00 0.00 N ATOM 231 CA ALA A 18 4.217 1.412 16.289 1.00 0.00 C ATOM 232 C ALA A 18 3.809 -0.029 16.579 1.00 0.00 C ATOM 233 O ALA A 18 3.865 -0.889 15.699 1.00 0.00 O ATOM 234 CB ALA A 18 5.675 1.634 16.661 1.00 0.00 C ATOM 0 H ALA A 18 3.679 2.575 17.949 1.00 0.00 H new ATOM 0 HA ALA A 18 4.095 1.590 15.220 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.301 0.925 16.119 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.967 2.651 16.398 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.804 1.485 17.733 1.00 0.00 H new ATOM 240 N ARG A 19 3.400 -0.286 17.817 1.00 0.00 N ATOM 241 CA ARG A 19 2.985 -1.624 18.222 1.00 0.00 C ATOM 242 C ARG A 19 1.526 -1.875 17.855 1.00 0.00 C ATOM 243 O ARG A 19 0.833 -2.645 18.519 1.00 0.00 O ATOM 244 CB ARG A 19 3.183 -1.808 19.728 1.00 0.00 C ATOM 245 CG ARG A 19 4.596 -2.215 20.112 1.00 0.00 C ATOM 246 CD ARG A 19 4.617 -2.986 21.422 1.00 0.00 C ATOM 247 NE ARG A 19 3.941 -4.276 21.309 1.00 0.00 N ATOM 248 CZ ARG A 19 3.997 -5.219 22.243 1.00 0.00 C ATOM 249 NH1 ARG A 19 4.693 -5.017 23.353 1.00 0.00 N ATOM 250 NH2 ARG A 19 3.355 -6.367 22.067 1.00 0.00 N ATOM 0 H ARG A 19 3.347 0.414 18.557 1.00 0.00 H new ATOM 0 HA ARG A 19 3.604 -2.346 17.690 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.932 -0.876 20.235 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.486 -2.565 20.088 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.027 -2.828 19.321 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.220 -1.326 20.202 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.650 -3.144 21.733 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.137 -2.392 22.200 1.00 0.00 H new ATOM 0 HE ARG A 19 3.396 -4.463 20.467 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.187 -4.136 23.492 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.734 -5.743 24.068 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.818 -6.526 21.214 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.398 -7.091 22.784 1.00 0.00 H new ATOM 264 N GLU A 20 1.067 -1.219 16.794 1.00 0.00 N ATOM 265 CA GLU A 20 -0.311 -1.371 16.340 1.00 0.00 C ATOM 266 C GLU A 20 -0.357 -1.844 14.890 1.00 0.00 C ATOM 267 O GLU A 20 0.423 -1.390 14.054 1.00 0.00 O ATOM 268 CB GLU A 20 -1.066 -0.048 16.481 1.00 0.00 C ATOM 269 CG GLU A 20 -1.366 0.332 17.921 1.00 0.00 C ATOM 270 CD GLU A 20 -2.521 -0.459 18.505 1.00 0.00 C ATOM 271 OE1 GLU A 20 -2.287 -1.594 18.968 1.00 0.00 O ATOM 272 OE2 GLU A 20 -3.658 0.058 18.498 1.00 0.00 O ATOM 0 H GLU A 20 1.628 -0.578 16.233 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.792 -2.124 16.965 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.479 0.746 16.019 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.003 -0.114 15.929 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.476 0.170 18.529 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.597 1.396 17.971 1.00 0.00 H new ATOM 279 N GLN A 21 -1.277 -2.758 14.601 1.00 0.00 N ATOM 280 CA GLN A 21 -1.425 -3.294 13.253 1.00 0.00 C ATOM 281 C GLN A 21 -1.962 -2.231 12.301 1.00 0.00 C ATOM 282 O GLN A 21 -2.171 -1.081 12.691 1.00 0.00 O ATOM 283 CB GLN A 21 -2.358 -4.506 13.262 1.00 0.00 C ATOM 284 CG GLN A 21 -3.792 -4.167 13.633 1.00 0.00 C ATOM 285 CD GLN A 21 -4.044 -4.252 15.126 1.00 0.00 C ATOM 286 OE1 GLN A 21 -3.570 -5.169 15.796 1.00 0.00 O ATOM 287 NE2 GLN A 21 -4.794 -3.292 15.655 1.00 0.00 N ATOM 0 H GLN A 21 -1.931 -3.143 15.282 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.441 -3.605 12.903 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.347 -4.970 12.276 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.974 -5.244 13.966 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.025 -3.160 13.286 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.468 -4.847 13.115 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.167 -2.551 15.062 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.997 -3.296 16.655 1.00 0.00 H new ATOM 296 N LEU A 22 -2.184 -2.622 11.051 1.00 0.00 N ATOM 297 CA LEU A 22 -2.698 -1.702 10.041 1.00 0.00 C ATOM 298 C LEU A 22 -4.127 -2.065 9.651 1.00 0.00 C ATOM 299 O LEU A 22 -4.955 -1.189 9.402 1.00 0.00 O ATOM 300 CB LEU A 22 -1.799 -1.718 8.804 1.00 0.00 C ATOM 301 CG LEU A 22 -0.647 -0.712 8.797 1.00 0.00 C ATOM 302 CD1 LEU A 22 0.361 -1.061 7.714 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.176 0.702 8.601 1.00 0.00 C ATOM 0 H LEU A 22 -2.016 -3.569 10.712 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.701 -0.699 10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.381 -2.719 8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.419 -1.535 7.927 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.142 -0.760 9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.173 -0.334 7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.763 -2.057 7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.130 -1.043 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.343 1.405 8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.706 0.764 7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.859 0.951 9.414 1.00 0.00 H new ATOM 315 N GLY A 23 -4.410 -3.363 9.600 1.00 0.00 N ATOM 316 CA GLY A 23 -5.740 -3.819 9.242 1.00 0.00 C ATOM 317 C GLY A 23 -5.768 -4.531 7.904 1.00 0.00 C ATOM 318 O GLY A 23 -6.517 -5.490 7.718 1.00 0.00 O ATOM 0 H GLY A 23 -3.742 -4.107 9.800 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.111 -4.491 10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.417 -2.965 9.210 1.00 0.00 H new ATOM 322 N PHE A 24 -4.950 -4.060 6.968 1.00 0.00 N ATOM 323 CA PHE A 24 -4.886 -4.656 5.639 1.00 0.00 C ATOM 324 C PHE A 24 -3.717 -5.632 5.536 1.00 0.00 C ATOM 325 O PHE A 24 -2.648 -5.398 6.100 1.00 0.00 O ATOM 326 CB PHE A 24 -4.749 -3.566 4.573 1.00 0.00 C ATOM 327 CG PHE A 24 -3.445 -2.824 4.639 1.00 0.00 C ATOM 328 CD1 PHE A 24 -3.311 -1.701 5.439 1.00 0.00 C ATOM 329 CD2 PHE A 24 -2.352 -3.250 3.901 1.00 0.00 C ATOM 330 CE1 PHE A 24 -2.113 -1.016 5.501 1.00 0.00 C ATOM 331 CE2 PHE A 24 -1.151 -2.569 3.959 1.00 0.00 C ATOM 332 CZ PHE A 24 -1.031 -1.451 4.761 1.00 0.00 C ATOM 0 H PHE A 24 -4.323 -3.268 7.106 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.812 -5.205 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.851 -4.019 3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.568 -2.856 4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.153 -1.357 6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.440 -4.124 3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.023 -0.141 6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.307 -2.911 3.378 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.093 -0.918 4.809 1.00 0.00 H new ATOM 342 N CYS A 25 -3.930 -6.727 4.814 1.00 0.00 N ATOM 343 CA CYS A 25 -2.896 -7.740 4.639 1.00 0.00 C ATOM 344 C CYS A 25 -2.354 -7.722 3.213 1.00 0.00 C ATOM 345 O CYS A 25 -3.117 -7.724 2.247 1.00 0.00 O ATOM 346 CB CYS A 25 -3.450 -9.127 4.969 1.00 0.00 C ATOM 347 SG CYS A 25 -3.799 -9.383 6.725 1.00 0.00 S ATOM 0 H CYS A 25 -4.809 -6.935 4.341 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.078 -7.511 5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.366 -9.285 4.400 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.735 -9.880 4.638 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.265 -10.583 6.904 1.00 0.00 H new ATOM 353 N VAL A 26 -1.030 -7.703 3.089 1.00 0.00 N ATOM 354 CA VAL A 26 -0.385 -7.684 1.782 1.00 0.00 C ATOM 355 C VAL A 26 0.345 -8.994 1.510 1.00 0.00 C ATOM 356 O VAL A 26 1.174 -9.431 2.309 1.00 0.00 O ATOM 357 CB VAL A 26 0.615 -6.518 1.667 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.404 -6.617 0.370 1.00 0.00 C ATOM 359 CG2 VAL A 26 -0.110 -5.184 1.759 1.00 0.00 C ATOM 0 H VAL A 26 -0.384 -7.700 3.878 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.174 -7.551 1.042 1.00 0.00 H new ATOM 0 HB VAL A 26 1.318 -6.582 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.105 -5.785 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.954 -7.558 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.719 -6.579 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.612 -4.371 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.837 -5.108 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.625 -5.115 2.717 1.00 0.00 H new ATOM 369 N GLU A 27 0.032 -9.616 0.378 1.00 0.00 N ATOM 370 CA GLU A 27 0.659 -10.878 0.002 1.00 0.00 C ATOM 371 C GLU A 27 1.439 -10.730 -1.301 1.00 0.00 C ATOM 372 O GLU A 27 0.854 -10.572 -2.373 1.00 0.00 O ATOM 373 CB GLU A 27 -0.398 -11.974 -0.146 1.00 0.00 C ATOM 374 CG GLU A 27 -1.067 -12.355 1.164 1.00 0.00 C ATOM 375 CD GLU A 27 -0.140 -13.117 2.092 1.00 0.00 C ATOM 376 OE1 GLU A 27 0.649 -12.465 2.808 1.00 0.00 O ATOM 377 OE2 GLU A 27 -0.203 -14.364 2.103 1.00 0.00 O ATOM 0 H GLU A 27 -0.651 -9.267 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 27 1.355 -11.159 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.160 -11.639 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.067 -12.860 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.416 -11.452 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.947 -12.964 0.955 1.00 0.00 H new ATOM 384 N ASP A 28 2.763 -10.782 -1.201 1.00 0.00 N ATOM 385 CA ASP A 28 3.624 -10.655 -2.370 1.00 0.00 C ATOM 386 C ASP A 28 3.450 -9.290 -3.028 1.00 0.00 C ATOM 387 O ASP A 28 3.567 -9.156 -4.245 1.00 0.00 O ATOM 388 CB ASP A 28 3.318 -11.763 -3.379 1.00 0.00 C ATOM 389 CG ASP A 28 3.931 -13.092 -2.982 1.00 0.00 C ATOM 390 OD1 ASP A 28 5.116 -13.105 -2.590 1.00 0.00 O ATOM 391 OD2 ASP A 28 3.225 -14.119 -3.064 1.00 0.00 O ATOM 0 H ASP A 28 3.263 -10.911 -0.321 1.00 0.00 H new ATOM 0 HA ASP A 28 4.658 -10.750 -2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.238 -11.878 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.694 -11.471 -4.360 1.00 0.00 H new ATOM 396 N GLY A 29 3.167 -8.277 -2.213 1.00 0.00 N ATOM 397 CA GLY A 29 2.979 -6.936 -2.734 1.00 0.00 C ATOM 398 C GLY A 29 1.580 -6.714 -3.272 1.00 0.00 C ATOM 399 O GLY A 29 1.349 -5.795 -4.059 1.00 0.00 O ATOM 0 H GLY A 29 3.065 -8.362 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.181 -6.211 -1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.703 -6.753 -3.528 1.00 0.00 H new ATOM 403 N ILE A 30 0.644 -7.557 -2.848 1.00 0.00 N ATOM 404 CA ILE A 30 -0.740 -7.448 -3.294 1.00 0.00 C ATOM 405 C ILE A 30 -1.708 -7.640 -2.131 1.00 0.00 C ATOM 406 O ILE A 30 -1.792 -8.724 -1.553 1.00 0.00 O ATOM 407 CB ILE A 30 -1.061 -8.479 -4.391 1.00 0.00 C ATOM 408 CG1 ILE A 30 0.124 -8.625 -5.347 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.314 -8.071 -5.151 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.263 -9.143 -6.715 1.00 0.00 C ATOM 0 H ILE A 30 0.819 -8.322 -2.197 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.862 -6.445 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.244 -9.444 -3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.612 -7.657 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.856 -9.301 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.528 -8.810 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.156 -8.013 -4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.158 -7.097 -5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.627 -9.221 -7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.724 -10.126 -6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.971 -8.456 -7.177 1.00 0.00 H new ATOM 422 N ILE A 31 -2.438 -6.582 -1.796 1.00 0.00 N ATOM 423 CA ILE A 31 -3.403 -6.636 -0.704 1.00 0.00 C ATOM 424 C ILE A 31 -4.510 -7.642 -0.999 1.00 0.00 C ATOM 425 O ILE A 31 -5.004 -7.726 -2.124 1.00 0.00 O ATOM 426 CB ILE A 31 -4.035 -5.256 -0.443 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.949 -4.224 -0.133 1.00 0.00 C ATOM 428 CG2 ILE A 31 -5.036 -5.339 0.700 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.319 -2.815 -0.541 1.00 0.00 C ATOM 0 H ILE A 31 -2.380 -5.678 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.857 -6.950 0.185 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.565 -4.940 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.739 -4.240 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.030 -4.512 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.474 -4.356 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.824 -6.047 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.528 -5.674 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.503 -2.138 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.501 -2.783 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.221 -2.508 -0.011 1.00 0.00 H new ATOM 441 N CYS A 32 -4.897 -8.402 0.020 1.00 0.00 N ATOM 442 CA CYS A 32 -5.948 -9.403 -0.129 1.00 0.00 C ATOM 443 C CYS A 32 -7.127 -9.094 0.788 1.00 0.00 C ATOM 444 O CYS A 32 -8.253 -8.911 0.328 1.00 0.00 O ATOM 445 CB CYS A 32 -5.400 -10.797 0.177 1.00 0.00 C ATOM 446 SG CYS A 32 -6.271 -12.136 -0.670 1.00 0.00 S ATOM 0 H CYS A 32 -4.499 -8.344 0.957 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.297 -9.377 -1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.347 -10.830 -0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.451 -10.968 1.252 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.733 -13.275 -0.349 1.00 0.00 H new ATOM 452 N SER A 33 -6.859 -9.039 2.089 1.00 0.00 N ATOM 453 CA SER A 33 -7.899 -8.758 3.072 1.00 0.00 C ATOM 454 C SER A 33 -7.730 -7.359 3.656 1.00 0.00 C ATOM 455 O SER A 33 -6.635 -6.795 3.641 1.00 0.00 O ATOM 456 CB SER A 33 -7.865 -9.798 4.193 1.00 0.00 C ATOM 457 OG SER A 33 -7.826 -11.114 3.667 1.00 0.00 O ATOM 0 H SER A 33 -5.931 -9.185 2.487 1.00 0.00 H new ATOM 0 HA SER A 33 -8.864 -8.809 2.568 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.992 -9.629 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.744 -9.682 4.827 1.00 0.00 H new ATOM 0 HG SER A 33 -7.803 -11.760 4.403 1.00 0.00 H new ATOM 463 N LEU A 34 -8.822 -6.804 4.171 1.00 0.00 N ATOM 464 CA LEU A 34 -8.797 -5.470 4.761 1.00 0.00 C ATOM 465 C LEU A 34 -9.668 -5.411 6.011 1.00 0.00 C ATOM 466 O LEU A 34 -10.833 -5.811 5.989 1.00 0.00 O ATOM 467 CB LEU A 34 -9.273 -4.431 3.744 1.00 0.00 C ATOM 468 CG LEU A 34 -8.872 -2.983 4.025 1.00 0.00 C ATOM 469 CD1 LEU A 34 -9.299 -2.079 2.879 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.479 -2.507 5.337 1.00 0.00 C ATOM 0 H LEU A 34 -9.736 -7.257 4.192 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.769 -5.245 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.888 -4.710 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.360 -4.481 3.686 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.786 -2.937 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.005 -1.052 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.817 -2.407 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.381 -2.129 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.183 -1.474 5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.566 -2.568 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.123 -3.137 6.152 1.00 0.00 H new ATOM 482 N LEU A 35 -9.098 -4.908 7.100 1.00 0.00 N ATOM 483 CA LEU A 35 -9.824 -4.794 8.361 1.00 0.00 C ATOM 484 C LEU A 35 -10.929 -3.747 8.260 1.00 0.00 C ATOM 485 O LEU A 35 -10.677 -2.549 8.390 1.00 0.00 O ATOM 486 CB LEU A 35 -8.863 -4.430 9.494 1.00 0.00 C ATOM 487 CG LEU A 35 -9.371 -4.688 10.913 1.00 0.00 C ATOM 488 CD1 LEU A 35 -9.419 -6.180 11.200 1.00 0.00 C ATOM 489 CD2 LEU A 35 -8.493 -3.975 11.931 1.00 0.00 C ATOM 0 H LEU A 35 -8.135 -4.572 7.136 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.282 -5.759 8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.938 -4.990 9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.613 -3.373 9.406 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.383 -4.291 10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.783 -6.344 12.214 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.090 -6.666 10.491 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.419 -6.602 11.101 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.869 -4.169 12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.470 -4.342 11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.510 -2.902 11.739 1.00 0.00 H new ATOM 501 N ARG A 36 -12.154 -4.208 8.030 1.00 0.00 N ATOM 502 CA ARG A 36 -13.298 -3.312 7.913 1.00 0.00 C ATOM 503 C ARG A 36 -13.532 -2.556 9.217 1.00 0.00 C ATOM 504 O ARG A 36 -14.206 -3.048 10.120 1.00 0.00 O ATOM 505 CB ARG A 36 -14.554 -4.101 7.536 1.00 0.00 C ATOM 506 CG ARG A 36 -15.558 -3.297 6.726 1.00 0.00 C ATOM 507 CD ARG A 36 -16.782 -4.127 6.374 1.00 0.00 C ATOM 508 NE ARG A 36 -16.523 -5.043 5.267 1.00 0.00 N ATOM 509 CZ ARG A 36 -16.411 -4.654 4.002 1.00 0.00 C ATOM 510 NH1 ARG A 36 -16.535 -3.372 3.686 1.00 0.00 N ATOM 511 NH2 ARG A 36 -16.174 -5.547 3.050 1.00 0.00 N ATOM 0 H ARG A 36 -12.380 -5.197 7.921 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.082 -2.588 7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.262 -4.982 6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.036 -4.457 8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.864 -2.418 7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.085 -2.938 5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.098 -4.696 7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.606 -3.464 6.110 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.423 -6.036 5.477 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.717 -2.682 4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.449 -3.076 2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.078 -6.534 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.088 -5.247 2.079 1.00 0.00 H new ATOM 525 N GLY A 37 -12.969 -1.354 9.307 1.00 0.00 N ATOM 526 CA GLY A 37 -13.126 -0.549 10.505 1.00 0.00 C ATOM 527 C GLY A 37 -11.802 -0.052 11.047 1.00 0.00 C ATOM 528 O GLY A 37 -11.738 1.002 11.678 1.00 0.00 O ATOM 0 H GLY A 37 -12.407 -0.924 8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.768 0.304 10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.631 -1.138 11.271 1.00 0.00 H new ATOM 532 N GLY A 38 -10.740 -0.814 10.803 1.00 0.00 N ATOM 533 CA GLY A 38 -9.425 -0.429 11.281 1.00 0.00 C ATOM 534 C GLY A 38 -8.965 0.897 10.707 1.00 0.00 C ATOM 535 O GLY A 38 -9.779 1.780 10.439 1.00 0.00 O ATOM 0 H GLY A 38 -10.767 -1.691 10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.442 -0.364 12.369 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.705 -1.204 11.019 1.00 0.00 H new ATOM 539 N ILE A 39 -7.657 1.037 10.520 1.00 0.00 N ATOM 540 CA ILE A 39 -7.090 2.264 9.976 1.00 0.00 C ATOM 541 C ILE A 39 -7.065 2.229 8.451 1.00 0.00 C ATOM 542 O ILE A 39 -7.203 3.260 7.794 1.00 0.00 O ATOM 543 CB ILE A 39 -5.661 2.504 10.496 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.543 2.054 11.954 1.00 0.00 C ATOM 545 CG2 ILE A 39 -5.286 3.972 10.358 1.00 0.00 C ATOM 546 CD1 ILE A 39 -4.139 2.158 12.506 1.00 0.00 C ATOM 0 H ILE A 39 -6.970 0.315 10.737 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.730 3.081 10.308 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.968 1.914 9.896 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.212 2.658 12.567 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.881 1.021 12.036 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.273 4.125 10.730 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.335 4.263 9.309 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.981 4.581 10.936 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.130 1.823 13.543 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.469 1.532 11.917 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.805 3.194 12.457 1.00 0.00 H new ATOM 558 N ALA A 40 -6.890 1.035 7.895 1.00 0.00 N ATOM 559 CA ALA A 40 -6.851 0.864 6.448 1.00 0.00 C ATOM 560 C ALA A 40 -8.107 1.431 5.795 1.00 0.00 C ATOM 561 O ALA A 40 -8.048 2.436 5.086 1.00 0.00 O ATOM 562 CB ALA A 40 -6.688 -0.606 6.095 1.00 0.00 C ATOM 0 H ALA A 40 -6.773 0.171 8.425 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.993 1.416 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.660 -0.719 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.759 -0.982 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.528 -1.172 6.498 1.00 0.00 H new ATOM 568 N GLU A 41 -9.240 0.781 6.037 1.00 0.00 N ATOM 569 CA GLU A 41 -10.510 1.221 5.470 1.00 0.00 C ATOM 570 C GLU A 41 -10.682 2.729 5.626 1.00 0.00 C ATOM 571 O GLU A 41 -10.996 3.431 4.665 1.00 0.00 O ATOM 572 CB GLU A 41 -11.674 0.491 6.142 1.00 0.00 C ATOM 573 CG GLU A 41 -13.003 0.679 5.429 1.00 0.00 C ATOM 574 CD GLU A 41 -13.954 -0.480 5.653 1.00 0.00 C ATOM 575 OE1 GLU A 41 -14.303 -0.746 6.822 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.350 -1.123 4.658 1.00 0.00 O ATOM 0 H GLU A 41 -9.305 -0.052 6.622 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.506 0.982 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.445 -0.574 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.769 0.844 7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.471 1.600 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.824 0.796 4.360 1.00 0.00 H new ATOM 583 N ARG A 42 -10.473 3.219 6.843 1.00 0.00 N ATOM 584 CA ARG A 42 -10.607 4.643 7.127 1.00 0.00 C ATOM 585 C ARG A 42 -9.629 5.459 6.286 1.00 0.00 C ATOM 586 O ARG A 42 -9.925 6.585 5.888 1.00 0.00 O ATOM 587 CB ARG A 42 -10.366 4.914 8.613 1.00 0.00 C ATOM 588 CG ARG A 42 -11.585 4.655 9.484 1.00 0.00 C ATOM 589 CD ARG A 42 -11.259 4.817 10.960 1.00 0.00 C ATOM 590 NE ARG A 42 -11.131 6.221 11.342 1.00 0.00 N ATOM 591 CZ ARG A 42 -12.163 6.991 11.670 1.00 0.00 C ATOM 592 NH1 ARG A 42 -13.392 6.494 11.663 1.00 0.00 N ATOM 593 NH2 ARG A 42 -11.966 8.259 12.006 1.00 0.00 N ATOM 0 H ARG A 42 -10.210 2.651 7.649 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.622 4.945 6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.543 4.289 8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.053 5.951 8.739 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.383 5.344 9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.957 3.647 9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.041 4.349 11.557 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.330 4.294 11.185 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.198 6.633 11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.546 5.519 11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.183 7.086 11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.021 8.644 12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.759 8.849 12.258 1.00 0.00 H new ATOM 607 N GLY A 43 -8.461 4.882 6.019 1.00 0.00 N ATOM 608 CA GLY A 43 -7.457 5.570 5.228 1.00 0.00 C ATOM 609 C GLY A 43 -7.799 5.593 3.751 1.00 0.00 C ATOM 610 O GLY A 43 -7.667 6.623 3.092 1.00 0.00 O ATOM 0 H GLY A 43 -8.192 3.951 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.352 6.593 5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.492 5.082 5.367 1.00 0.00 H new ATOM 614 N GLY A 44 -8.239 4.452 3.229 1.00 0.00 N ATOM 615 CA GLY A 44 -8.592 4.366 1.824 1.00 0.00 C ATOM 616 C GLY A 44 -7.889 3.224 1.118 1.00 0.00 C ATOM 617 O GLY A 44 -7.438 3.372 -0.019 1.00 0.00 O ATOM 0 H GLY A 44 -8.357 3.586 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.670 4.238 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.339 5.305 1.331 1.00 0.00 H new ATOM 621 N ILE A 45 -7.793 2.083 1.792 1.00 0.00 N ATOM 622 CA ILE A 45 -7.139 0.912 1.222 1.00 0.00 C ATOM 623 C ILE A 45 -8.131 0.049 0.450 1.00 0.00 C ATOM 624 O ILE A 45 -9.289 -0.088 0.846 1.00 0.00 O ATOM 625 CB ILE A 45 -6.469 0.055 2.312 1.00 0.00 C ATOM 626 CG1 ILE A 45 -5.503 0.906 3.139 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.740 -1.124 1.685 1.00 0.00 C ATOM 628 CD1 ILE A 45 -4.509 1.680 2.300 1.00 0.00 C ATOM 0 H ILE A 45 -8.160 1.945 2.734 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.373 1.280 0.539 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.242 -0.332 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.077 1.606 3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.959 0.259 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.272 -1.720 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.451 -1.741 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.974 -0.757 1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.856 2.260 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.909 0.985 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.044 2.353 1.630 1.00 0.00 H new ATOM 640 N ARG A 46 -7.670 -0.533 -0.652 1.00 0.00 N ATOM 641 CA ARG A 46 -8.517 -1.384 -1.478 1.00 0.00 C ATOM 642 C ARG A 46 -7.821 -2.706 -1.790 1.00 0.00 C ATOM 643 O ARG A 46 -6.749 -2.728 -2.394 1.00 0.00 O ATOM 644 CB ARG A 46 -8.880 -0.668 -2.780 1.00 0.00 C ATOM 645 CG ARG A 46 -10.092 0.242 -2.657 1.00 0.00 C ATOM 646 CD ARG A 46 -11.381 -0.503 -2.964 1.00 0.00 C ATOM 647 NE ARG A 46 -12.563 0.286 -2.627 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.088 0.338 -1.408 1.00 0.00 C ATOM 649 NH1 ARG A 46 -12.539 -0.349 -0.416 1.00 0.00 N ATOM 650 NH2 ARG A 46 -14.165 1.079 -1.179 1.00 0.00 N ATOM 0 H ARG A 46 -6.714 -0.431 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.429 -1.596 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.025 -0.078 -3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.072 -1.412 -3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.139 0.653 -1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.986 1.085 -3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.407 -0.761 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.400 -1.440 -2.407 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.010 0.826 -3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.711 -0.920 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.944 -0.307 0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.590 1.609 -1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.567 1.118 -0.243 1.00 0.00 H new ATOM 664 N VAL A 47 -8.438 -3.807 -1.372 1.00 0.00 N ATOM 665 CA VAL A 47 -7.879 -5.132 -1.606 1.00 0.00 C ATOM 666 C VAL A 47 -7.904 -5.485 -3.089 1.00 0.00 C ATOM 667 O VAL A 47 -8.681 -4.922 -3.859 1.00 0.00 O ATOM 668 CB VAL A 47 -8.646 -6.212 -0.820 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.576 -5.936 0.674 1.00 0.00 C ATOM 670 CG2 VAL A 47 -10.091 -6.287 -1.289 1.00 0.00 C ATOM 0 H VAL A 47 -9.326 -3.807 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.846 -5.105 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.176 -7.177 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.123 -6.709 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.535 -5.937 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.020 -4.963 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.618 -7.055 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.575 -5.323 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.117 -6.536 -2.350 1.00 0.00 H new ATOM 680 N GLY A 48 -7.048 -6.423 -3.484 1.00 0.00 N ATOM 681 CA GLY A 48 -6.989 -6.836 -4.874 1.00 0.00 C ATOM 682 C GLY A 48 -6.072 -5.956 -5.701 1.00 0.00 C ATOM 683 O GLY A 48 -5.833 -6.230 -6.878 1.00 0.00 O ATOM 0 H GLY A 48 -6.394 -6.904 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.644 -7.868 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.992 -6.812 -5.300 1.00 0.00 H new ATOM 687 N HIS A 49 -5.559 -4.896 -5.086 1.00 0.00 N ATOM 688 CA HIS A 49 -4.664 -3.972 -5.774 1.00 0.00 C ATOM 689 C HIS A 49 -3.207 -4.377 -5.576 1.00 0.00 C ATOM 690 O HIS A 49 -2.903 -5.266 -4.780 1.00 0.00 O ATOM 691 CB HIS A 49 -4.882 -2.545 -5.268 1.00 0.00 C ATOM 692 CG HIS A 49 -6.055 -1.859 -5.898 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.075 -0.509 -6.180 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.252 -2.344 -6.303 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.234 -0.193 -6.729 1.00 0.00 C ATOM 696 NE2 HIS A 49 -7.966 -1.289 -6.816 1.00 0.00 N ATOM 0 H HIS A 49 -5.747 -4.655 -4.113 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.892 -4.011 -6.839 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.023 -2.569 -4.187 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.983 -1.959 -5.459 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.584 -3.370 -6.235 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.532 0.794 -7.052 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.909 -1.343 -7.202 1.00 0.00 H new ATOM 704 N ARG A 50 -2.310 -3.720 -6.304 1.00 0.00 N ATOM 705 CA ARG A 50 -0.886 -4.014 -6.209 1.00 0.00 C ATOM 706 C ARG A 50 -0.107 -2.785 -5.748 1.00 0.00 C ATOM 707 O ARG A 50 -0.415 -1.660 -6.140 1.00 0.00 O ATOM 708 CB ARG A 50 -0.351 -4.492 -7.560 1.00 0.00 C ATOM 709 CG ARG A 50 -0.457 -5.995 -7.760 1.00 0.00 C ATOM 710 CD ARG A 50 0.654 -6.517 -8.659 1.00 0.00 C ATOM 711 NE ARG A 50 0.269 -7.748 -9.344 1.00 0.00 N ATOM 712 CZ ARG A 50 1.129 -8.530 -9.987 1.00 0.00 C ATOM 713 NH1 ARG A 50 2.415 -8.210 -10.033 1.00 0.00 N ATOM 714 NH2 ARG A 50 0.703 -9.635 -10.587 1.00 0.00 N ATOM 0 H ARG A 50 -2.545 -2.980 -6.966 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.752 -4.806 -5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.899 -3.989 -8.357 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.693 -4.194 -7.654 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.410 -6.496 -6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.425 -6.238 -8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.911 -5.757 -9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.548 -6.698 -8.063 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.713 -8.022 -9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.746 -7.361 -9.574 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.073 -8.812 -10.527 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.286 -9.884 -10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.364 -10.235 -11.080 1.00 0.00 H new ATOM 728 N ILE A 51 0.902 -3.010 -4.913 1.00 0.00 N ATOM 729 CA ILE A 51 1.725 -1.922 -4.399 1.00 0.00 C ATOM 730 C ILE A 51 2.912 -1.650 -5.317 1.00 0.00 C ATOM 731 O ILE A 51 3.763 -2.516 -5.521 1.00 0.00 O ATOM 732 CB ILE A 51 2.246 -2.231 -2.983 1.00 0.00 C ATOM 733 CG1 ILE A 51 1.077 -2.522 -2.039 1.00 0.00 C ATOM 734 CG2 ILE A 51 3.079 -1.070 -2.461 1.00 0.00 C ATOM 735 CD1 ILE A 51 0.127 -1.357 -1.876 1.00 0.00 C ATOM 0 H ILE A 51 1.169 -3.936 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 51 1.090 -1.037 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 51 2.880 -3.116 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.523 -3.382 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.471 -2.799 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.440 -1.303 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.928 -0.905 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.466 -0.169 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.676 -1.635 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.667 -0.501 -1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.296 -1.094 -2.846 1.00 0.00 H new ATOM 747 N ILE A 52 2.963 -0.441 -5.866 1.00 0.00 N ATOM 748 CA ILE A 52 4.048 -0.053 -6.759 1.00 0.00 C ATOM 749 C ILE A 52 5.011 0.908 -6.070 1.00 0.00 C ATOM 750 O ILE A 52 6.196 0.953 -6.396 1.00 0.00 O ATOM 751 CB ILE A 52 3.511 0.608 -8.042 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.566 1.760 -7.692 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.802 -0.420 -8.911 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.278 2.681 -8.857 1.00 0.00 C ATOM 0 H ILE A 52 2.266 0.287 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 52 4.580 -0.967 -7.025 1.00 0.00 H new ATOM 0 HB ILE A 52 4.353 1.012 -8.604 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.626 1.349 -7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.000 2.341 -6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.428 0.063 -9.814 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.502 -1.210 -9.185 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.967 -0.851 -8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.602 3.473 -8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.210 3.121 -9.212 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.814 2.113 -9.664 1.00 0.00 H new ATOM 766 N GLU A 53 4.492 1.673 -5.115 1.00 0.00 N ATOM 767 CA GLU A 53 5.307 2.633 -4.379 1.00 0.00 C ATOM 768 C GLU A 53 4.780 2.818 -2.959 1.00 0.00 C ATOM 769 O GLU A 53 3.588 2.651 -2.702 1.00 0.00 O ATOM 770 CB GLU A 53 5.330 3.979 -5.106 1.00 0.00 C ATOM 771 CG GLU A 53 6.578 4.800 -4.827 1.00 0.00 C ATOM 772 CD GLU A 53 6.355 6.287 -5.025 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.506 6.859 -4.310 1.00 0.00 O ATOM 774 OE2 GLU A 53 7.028 6.877 -5.895 1.00 0.00 O ATOM 0 H GLU A 53 3.512 1.647 -4.833 1.00 0.00 H new ATOM 0 HA GLU A 53 6.323 2.241 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.253 3.804 -6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.453 4.556 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.906 4.619 -3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.382 4.466 -5.483 1.00 0.00 H new ATOM 781 N ILE A 54 5.677 3.164 -2.042 1.00 0.00 N ATOM 782 CA ILE A 54 5.303 3.372 -0.648 1.00 0.00 C ATOM 783 C ILE A 54 6.179 4.437 0.002 1.00 0.00 C ATOM 784 O ILE A 54 7.370 4.540 -0.291 1.00 0.00 O ATOM 785 CB ILE A 54 5.411 2.068 0.164 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.874 1.643 0.296 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.590 0.967 -0.490 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.561 2.211 1.519 1.00 0.00 C ATOM 0 H ILE A 54 6.668 3.306 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 54 4.266 3.707 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 54 5.013 2.246 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.926 0.555 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.417 1.958 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.677 0.052 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.544 1.271 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.960 0.788 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.595 1.868 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.541 3.300 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.042 1.875 2.417 1.00 0.00 H new ATOM 800 N ASN A 55 5.581 5.227 0.889 1.00 0.00 N ATOM 801 CA ASN A 55 6.307 6.284 1.583 1.00 0.00 C ATOM 802 C ASN A 55 7.308 6.959 0.650 1.00 0.00 C ATOM 803 O ASN A 55 8.404 7.334 1.065 1.00 0.00 O ATOM 804 CB ASN A 55 7.034 5.715 2.804 1.00 0.00 C ATOM 805 CG ASN A 55 6.284 4.559 3.436 1.00 0.00 C ATOM 806 OD1 ASN A 55 6.889 3.593 3.902 1.00 0.00 O ATOM 807 ND2 ASN A 55 4.960 4.652 3.454 1.00 0.00 N ATOM 0 H ASN A 55 4.596 5.155 1.144 1.00 0.00 H new ATOM 0 HA ASN A 55 5.585 7.030 1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.029 5.381 2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.169 6.504 3.543 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.402 3.904 3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.501 5.471 3.056 1.00 0.00 H new ATOM 814 N GLY A 56 6.922 7.112 -0.613 1.00 0.00 N ATOM 815 CA GLY A 56 7.797 7.742 -1.585 1.00 0.00 C ATOM 816 C GLY A 56 8.953 6.850 -1.989 1.00 0.00 C ATOM 817 O GLY A 56 10.075 7.323 -2.170 1.00 0.00 O ATOM 0 H GLY A 56 6.019 6.811 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.220 8.007 -2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.187 8.671 -1.169 1.00 0.00 H new ATOM 821 N GLN A 57 8.681 5.557 -2.128 1.00 0.00 N ATOM 822 CA GLN A 57 9.709 4.597 -2.510 1.00 0.00 C ATOM 823 C GLN A 57 9.164 3.585 -3.513 1.00 0.00 C ATOM 824 O GLN A 57 8.178 2.899 -3.243 1.00 0.00 O ATOM 825 CB GLN A 57 10.244 3.871 -1.275 1.00 0.00 C ATOM 826 CG GLN A 57 11.250 4.686 -0.478 1.00 0.00 C ATOM 827 CD GLN A 57 11.578 4.059 0.863 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.747 3.882 1.209 1.00 0.00 O ATOM 829 NE2 GLN A 57 10.547 3.719 1.626 1.00 0.00 N ATOM 0 H GLN A 57 7.757 5.150 -1.982 1.00 0.00 H new ATOM 0 HA GLN A 57 10.524 5.146 -2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.407 3.608 -0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.711 2.937 -1.587 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.166 4.793 -1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.854 5.689 -0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.595 3.884 1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.707 3.293 2.539 1.00 0.00 H new ATOM 838 N SER A 58 9.811 3.497 -4.670 1.00 0.00 N ATOM 839 CA SER A 58 9.389 2.572 -5.715 1.00 0.00 C ATOM 840 C SER A 58 9.637 1.127 -5.293 1.00 0.00 C ATOM 841 O SER A 58 10.782 0.688 -5.184 1.00 0.00 O ATOM 842 CB SER A 58 10.130 2.869 -7.019 1.00 0.00 C ATOM 843 OG SER A 58 9.892 4.198 -7.450 1.00 0.00 O ATOM 0 H SER A 58 10.631 4.056 -4.908 1.00 0.00 H new ATOM 0 HA SER A 58 8.319 2.707 -5.875 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.200 2.716 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.808 2.170 -7.791 1.00 0.00 H new ATOM 0 HG SER A 58 10.378 4.363 -8.285 1.00 0.00 H new ATOM 849 N VAL A 59 8.555 0.391 -5.058 1.00 0.00 N ATOM 850 CA VAL A 59 8.653 -1.005 -4.650 1.00 0.00 C ATOM 851 C VAL A 59 8.009 -1.925 -5.680 1.00 0.00 C ATOM 852 O VAL A 59 7.823 -3.117 -5.434 1.00 0.00 O ATOM 853 CB VAL A 59 7.986 -1.238 -3.281 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.834 -0.645 -2.166 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.583 -0.650 -3.266 1.00 0.00 C ATOM 0 H VAL A 59 7.600 0.739 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 59 9.715 -1.238 -4.573 1.00 0.00 H new ATOM 0 HB VAL A 59 7.907 -2.312 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.347 -0.819 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.816 -1.117 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.947 0.427 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.126 -0.823 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.636 0.422 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.980 -1.127 -4.039 1.00 0.00 H new ATOM 865 N VAL A 60 7.670 -1.365 -6.837 1.00 0.00 N ATOM 866 CA VAL A 60 7.048 -2.135 -7.907 1.00 0.00 C ATOM 867 C VAL A 60 7.751 -3.474 -8.100 1.00 0.00 C ATOM 868 O VAL A 60 7.105 -4.507 -8.273 1.00 0.00 O ATOM 869 CB VAL A 60 7.064 -1.362 -9.238 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.448 -0.792 -9.508 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.616 -2.260 -10.381 1.00 0.00 C ATOM 0 H VAL A 60 7.816 -0.380 -7.057 1.00 0.00 H new ATOM 0 HA VAL A 60 6.014 -2.310 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 60 6.363 -0.531 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.440 -0.249 -10.453 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.725 -0.113 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.172 -1.605 -9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.633 -1.697 -11.314 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.290 -3.113 -10.459 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.603 -2.614 -10.190 1.00 0.00 H new ATOM 881 N ALA A 61 9.080 -3.448 -8.070 1.00 0.00 N ATOM 882 CA ALA A 61 9.872 -4.660 -8.240 1.00 0.00 C ATOM 883 C ALA A 61 10.426 -5.145 -6.904 1.00 0.00 C ATOM 884 O ALA A 61 10.663 -6.338 -6.715 1.00 0.00 O ATOM 885 CB ALA A 61 11.004 -4.416 -9.226 1.00 0.00 C ATOM 0 H ALA A 61 9.630 -2.601 -7.930 1.00 0.00 H new ATOM 0 HA ALA A 61 9.220 -5.438 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.587 -5.329 -9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.589 -4.124 -10.191 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.648 -3.620 -8.851 1.00 0.00 H new ATOM 891 N THR A 62 10.632 -4.212 -5.980 1.00 0.00 N ATOM 892 CA THR A 62 11.160 -4.544 -4.663 1.00 0.00 C ATOM 893 C THR A 62 10.478 -5.782 -4.093 1.00 0.00 C ATOM 894 O THR A 62 9.265 -5.961 -4.209 1.00 0.00 O ATOM 895 CB THR A 62 10.984 -3.375 -3.676 1.00 0.00 C ATOM 896 OG1 THR A 62 11.701 -2.227 -4.144 1.00 0.00 O ATOM 897 CG2 THR A 62 11.479 -3.758 -2.289 1.00 0.00 C ATOM 0 H THR A 62 10.441 -3.220 -6.120 1.00 0.00 H new ATOM 0 HA THR A 62 12.224 -4.745 -4.791 1.00 0.00 H new ATOM 0 HB THR A 62 9.922 -3.139 -3.613 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.544 -1.474 -3.537 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.344 -2.916 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.911 -4.614 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.536 -4.018 -2.339 1.00 0.00 H new ATOM 905 N PRO A 63 11.273 -6.659 -3.462 1.00 0.00 N ATOM 906 CA PRO A 63 10.766 -7.896 -2.860 1.00 0.00 C ATOM 907 C PRO A 63 9.912 -7.632 -1.625 1.00 0.00 C ATOM 908 O PRO A 63 10.211 -6.741 -0.829 1.00 0.00 O ATOM 909 CB PRO A 63 12.041 -8.652 -2.477 1.00 0.00 C ATOM 910 CG PRO A 63 13.072 -7.591 -2.300 1.00 0.00 C ATOM 911 CD PRO A 63 12.727 -6.510 -3.287 1.00 0.00 C ATOM 0 HA PRO A 63 10.117 -8.445 -3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.901 -9.225 -1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.330 -9.359 -3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.064 -7.206 -1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.072 -7.984 -2.485 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.987 -5.522 -2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.260 -6.640 -4.229 1.00 0.00 H new ATOM 919 N HIS A 64 8.847 -8.412 -1.470 1.00 0.00 N ATOM 920 CA HIS A 64 7.949 -8.263 -0.330 1.00 0.00 C ATOM 921 C HIS A 64 8.737 -8.015 0.953 1.00 0.00 C ATOM 922 O HIS A 64 8.509 -7.027 1.651 1.00 0.00 O ATOM 923 CB HIS A 64 7.077 -9.509 -0.174 1.00 0.00 C ATOM 924 CG HIS A 64 6.372 -9.585 1.145 1.00 0.00 C ATOM 925 ND1 HIS A 64 5.002 -9.694 1.261 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.855 -9.570 2.409 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.673 -9.740 2.540 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.780 -9.667 3.258 1.00 0.00 N ATOM 0 H HIS A 64 8.585 -9.154 -2.119 1.00 0.00 H new ATOM 0 HA HIS A 64 7.308 -7.401 -0.514 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.337 -9.527 -0.974 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.699 -10.396 -0.296 1.00 0.00 H new ATOM 0 HD1 HIS A 64 4.345 -9.733 0.481 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.893 -9.496 2.697 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.670 -9.823 2.932 1.00 0.00 H new ATOM 936 N ALA A 65 9.662 -8.918 1.257 1.00 0.00 N ATOM 937 CA ALA A 65 10.484 -8.796 2.455 1.00 0.00 C ATOM 938 C ALA A 65 10.815 -7.337 2.748 1.00 0.00 C ATOM 939 O ALA A 65 10.498 -6.822 3.821 1.00 0.00 O ATOM 940 CB ALA A 65 11.761 -9.609 2.304 1.00 0.00 C ATOM 0 H ALA A 65 9.862 -9.742 0.691 1.00 0.00 H new ATOM 0 HA ALA A 65 9.914 -9.188 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.365 -9.509 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.508 -10.658 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.326 -9.243 1.446 1.00 0.00 H new ATOM 946 N ARG A 66 11.453 -6.676 1.788 1.00 0.00 N ATOM 947 CA ARG A 66 11.828 -5.275 1.944 1.00 0.00 C ATOM 948 C ARG A 66 10.596 -4.404 2.166 1.00 0.00 C ATOM 949 O ARG A 66 10.545 -3.612 3.108 1.00 0.00 O ATOM 950 CB ARG A 66 12.594 -4.790 0.712 1.00 0.00 C ATOM 951 CG ARG A 66 12.854 -3.292 0.708 1.00 0.00 C ATOM 952 CD ARG A 66 13.636 -2.859 1.938 1.00 0.00 C ATOM 953 NE ARG A 66 14.450 -1.674 1.680 1.00 0.00 N ATOM 954 CZ ARG A 66 14.879 -0.856 2.634 1.00 0.00 C ATOM 955 NH1 ARG A 66 14.574 -1.092 3.902 1.00 0.00 N ATOM 956 NH2 ARG A 66 15.616 0.202 2.320 1.00 0.00 N ATOM 0 H ARG A 66 11.721 -7.087 0.894 1.00 0.00 H new ATOM 0 HA ARG A 66 12.472 -5.193 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.547 -5.316 0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.031 -5.055 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.408 -3.020 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.905 -2.757 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.943 -2.652 2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.279 -3.676 2.265 1.00 0.00 H new ATOM 0 HE ARG A 66 14.703 -1.463 0.715 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.008 -1.904 4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.905 -0.461 4.632 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.853 0.387 1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.945 0.830 3.053 1.00 0.00 H new ATOM 970 N ILE A 67 9.606 -4.555 1.293 1.00 0.00 N ATOM 971 CA ILE A 67 8.374 -3.783 1.395 1.00 0.00 C ATOM 972 C ILE A 67 7.869 -3.738 2.833 1.00 0.00 C ATOM 973 O ILE A 67 7.453 -2.688 3.323 1.00 0.00 O ATOM 974 CB ILE A 67 7.269 -4.364 0.493 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.739 -4.408 -0.963 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.995 -3.542 0.619 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.746 -5.059 -1.899 1.00 0.00 C ATOM 0 H ILE A 67 9.633 -5.205 0.507 1.00 0.00 H new ATOM 0 HA ILE A 67 8.608 -2.771 1.064 1.00 0.00 H new ATOM 0 HB ILE A 67 7.055 -5.382 0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.935 -3.391 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.684 -4.949 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.224 -3.965 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.653 -3.557 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.194 -2.514 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.145 -5.055 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.568 -6.087 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.808 -4.505 -1.876 1.00 0.00 H new ATOM 989 N ILE A 68 7.911 -4.884 3.504 1.00 0.00 N ATOM 990 CA ILE A 68 7.460 -4.975 4.887 1.00 0.00 C ATOM 991 C ILE A 68 8.281 -4.064 5.794 1.00 0.00 C ATOM 992 O ILE A 68 7.730 -3.249 6.533 1.00 0.00 O ATOM 993 CB ILE A 68 7.549 -6.420 5.414 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.690 -7.352 4.558 1.00 0.00 C ATOM 995 CG2 ILE A 68 7.115 -6.480 6.871 1.00 0.00 C ATOM 996 CD1 ILE A 68 5.213 -7.030 4.609 1.00 0.00 C ATOM 0 H ILE A 68 8.253 -5.762 3.113 1.00 0.00 H new ATOM 0 HA ILE A 68 6.418 -4.655 4.901 1.00 0.00 H new ATOM 0 HB ILE A 68 8.585 -6.751 5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.030 -7.298 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.841 -8.379 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.183 -7.507 7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.765 -5.843 7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.085 -6.133 6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.666 -7.731 3.979 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.858 -7.112 5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.049 -6.014 4.249 1.00 0.00 H new ATOM 1008 N GLU A 69 9.601 -4.208 5.729 1.00 0.00 N ATOM 1009 CA GLU A 69 10.498 -3.396 6.544 1.00 0.00 C ATOM 1010 C GLU A 69 10.197 -1.910 6.368 1.00 0.00 C ATOM 1011 O GLU A 69 10.249 -1.137 7.326 1.00 0.00 O ATOM 1012 CB GLU A 69 11.955 -3.680 6.175 1.00 0.00 C ATOM 1013 CG GLU A 69 12.576 -4.813 6.975 1.00 0.00 C ATOM 1014 CD GLU A 69 12.995 -4.383 8.367 1.00 0.00 C ATOM 1015 OE1 GLU A 69 12.114 -4.287 9.248 1.00 0.00 O ATOM 1016 OE2 GLU A 69 14.202 -4.144 8.577 1.00 0.00 O ATOM 0 H GLU A 69 10.073 -4.878 5.122 1.00 0.00 H new ATOM 0 HA GLU A 69 10.338 -3.660 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.012 -3.922 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.543 -2.775 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.862 -5.633 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.445 -5.197 6.440 1.00 0.00 H new ATOM 1023 N LEU A 70 9.883 -1.518 5.139 1.00 0.00 N ATOM 1024 CA LEU A 70 9.574 -0.125 4.836 1.00 0.00 C ATOM 1025 C LEU A 70 8.266 0.299 5.495 1.00 0.00 C ATOM 1026 O LEU A 70 8.251 1.162 6.374 1.00 0.00 O ATOM 1027 CB LEU A 70 9.486 0.082 3.323 1.00 0.00 C ATOM 1028 CG LEU A 70 10.776 -0.156 2.537 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.509 -0.093 1.041 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.837 0.860 2.934 1.00 0.00 C ATOM 0 H LEU A 70 9.836 -2.145 4.336 1.00 0.00 H new ATOM 0 HA LEU A 70 10.378 0.494 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.717 -0.582 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.152 1.103 3.135 1.00 0.00 H new ATOM 0 HG LEU A 70 11.147 -1.152 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.438 -0.265 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.783 -0.859 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.114 0.890 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.748 0.676 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.474 1.866 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.049 0.767 3.999 1.00 0.00 H new ATOM 1042 N LEU A 71 7.168 -0.315 5.067 1.00 0.00 N ATOM 1043 CA LEU A 71 5.853 -0.003 5.618 1.00 0.00 C ATOM 1044 C LEU A 71 5.919 0.144 7.134 1.00 0.00 C ATOM 1045 O LEU A 71 5.320 1.055 7.707 1.00 0.00 O ATOM 1046 CB LEU A 71 4.850 -1.096 5.243 1.00 0.00 C ATOM 1047 CG LEU A 71 4.120 -0.909 3.913 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.556 -2.233 3.423 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.012 0.125 4.054 1.00 0.00 C ATOM 0 H LEU A 71 7.162 -1.031 4.341 1.00 0.00 H new ATOM 0 HA LEU A 71 5.524 0.946 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.376 -2.050 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.106 -1.166 6.036 1.00 0.00 H new ATOM 0 HG LEU A 71 4.836 -0.547 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.040 -2.080 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.369 -2.945 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.854 -2.624 4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.503 0.245 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.297 -0.208 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.442 1.079 4.359 1.00 0.00 H new ATOM 1061 N THR A 72 6.652 -0.757 7.781 1.00 0.00 N ATOM 1062 CA THR A 72 6.798 -0.726 9.230 1.00 0.00 C ATOM 1063 C THR A 72 7.661 0.450 9.672 1.00 0.00 C ATOM 1064 O THR A 72 7.360 1.114 10.664 1.00 0.00 O ATOM 1065 CB THR A 72 7.420 -2.032 9.760 1.00 0.00 C ATOM 1066 OG1 THR A 72 6.610 -3.150 9.381 1.00 0.00 O ATOM 1067 CG2 THR A 72 7.559 -1.990 11.274 1.00 0.00 C ATOM 0 H THR A 72 7.154 -1.518 7.323 1.00 0.00 H new ATOM 0 HA THR A 72 5.797 -0.614 9.645 1.00 0.00 H new ATOM 0 HB THR A 72 8.413 -2.139 9.323 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.796 -3.388 8.449 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.000 -2.923 11.625 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.201 -1.156 11.557 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.576 -1.861 11.726 1.00 0.00 H new ATOM 1075 N GLU A 73 8.733 0.703 8.929 1.00 0.00 N ATOM 1076 CA GLU A 73 9.639 1.801 9.246 1.00 0.00 C ATOM 1077 C GLU A 73 8.931 3.146 9.113 1.00 0.00 C ATOM 1078 O GLU A 73 9.443 4.175 9.554 1.00 0.00 O ATOM 1079 CB GLU A 73 10.862 1.764 8.327 1.00 0.00 C ATOM 1080 CG GLU A 73 12.005 0.920 8.868 1.00 0.00 C ATOM 1081 CD GLU A 73 13.321 1.206 8.173 1.00 0.00 C ATOM 1082 OE1 GLU A 73 13.873 2.308 8.378 1.00 0.00 O ATOM 1083 OE2 GLU A 73 13.800 0.330 7.423 1.00 0.00 O ATOM 0 H GLU A 73 8.996 0.163 8.104 1.00 0.00 H new ATOM 0 HA GLU A 73 9.965 1.682 10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.563 1.375 7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.217 2.782 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.115 1.106 9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.759 -0.135 8.752 1.00 0.00 H new ATOM 1090 N ALA A 74 7.751 3.130 8.503 1.00 0.00 N ATOM 1091 CA ALA A 74 6.972 4.347 8.313 1.00 0.00 C ATOM 1092 C ALA A 74 5.868 4.460 9.359 1.00 0.00 C ATOM 1093 O ALA A 74 4.966 3.624 9.417 1.00 0.00 O ATOM 1094 CB ALA A 74 6.380 4.382 6.912 1.00 0.00 C ATOM 0 H ALA A 74 7.313 2.287 8.132 1.00 0.00 H new ATOM 0 HA ALA A 74 7.640 5.200 8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.801 5.297 6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.184 4.356 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.730 3.518 6.770 1.00 0.00 H new ATOM 1100 N TYR A 75 5.945 5.498 10.183 1.00 0.00 N ATOM 1101 CA TYR A 75 4.953 5.719 11.230 1.00 0.00 C ATOM 1102 C TYR A 75 4.058 6.906 10.890 1.00 0.00 C ATOM 1103 O TYR A 75 4.325 7.650 9.947 1.00 0.00 O ATOM 1104 CB TYR A 75 5.644 5.955 12.574 1.00 0.00 C ATOM 1105 CG TYR A 75 6.757 4.974 12.864 1.00 0.00 C ATOM 1106 CD1 TYR A 75 7.970 5.050 12.190 1.00 0.00 C ATOM 1107 CD2 TYR A 75 6.596 3.971 13.812 1.00 0.00 C ATOM 1108 CE1 TYR A 75 8.989 4.154 12.451 1.00 0.00 C ATOM 1109 CE2 TYR A 75 7.610 3.073 14.081 1.00 0.00 C ATOM 1110 CZ TYR A 75 8.804 3.168 13.398 1.00 0.00 C ATOM 1111 OH TYR A 75 9.818 2.275 13.662 1.00 0.00 O ATOM 0 H TYR A 75 6.684 6.200 10.147 1.00 0.00 H new ATOM 0 HA TYR A 75 4.331 4.827 11.301 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.049 6.967 12.592 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.902 5.895 13.370 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.119 5.822 11.450 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.662 3.892 14.348 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.925 4.225 11.917 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.469 2.300 14.822 1.00 0.00 H new ATOM 0 HH TYR A 75 9.528 1.646 14.355 1.00 0.00 H new ATOM 1121 N GLY A 76 2.992 7.077 11.667 1.00 0.00 N ATOM 1122 CA GLY A 76 2.072 8.175 11.433 1.00 0.00 C ATOM 1123 C GLY A 76 1.541 8.195 10.014 1.00 0.00 C ATOM 1124 O GLY A 76 0.796 7.302 9.611 1.00 0.00 O ATOM 0 H GLY A 76 2.749 6.475 12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.237 8.099 12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.577 9.118 11.642 1.00 0.00 H new ATOM 1128 N GLU A 77 1.923 9.217 9.255 1.00 0.00 N ATOM 1129 CA GLU A 77 1.478 9.350 7.873 1.00 0.00 C ATOM 1130 C GLU A 77 2.162 8.320 6.979 1.00 0.00 C ATOM 1131 O GLU A 77 3.240 8.568 6.439 1.00 0.00 O ATOM 1132 CB GLU A 77 1.764 10.761 7.355 1.00 0.00 C ATOM 1133 CG GLU A 77 0.781 11.232 6.295 1.00 0.00 C ATOM 1134 CD GLU A 77 0.732 12.742 6.175 1.00 0.00 C ATOM 1135 OE1 GLU A 77 1.759 13.341 5.792 1.00 0.00 O ATOM 1136 OE2 GLU A 77 -0.333 13.326 6.463 1.00 0.00 O ATOM 0 H GLU A 77 2.539 9.965 9.574 1.00 0.00 H new ATOM 0 HA GLU A 77 0.403 9.172 7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.743 11.458 8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.772 10.790 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.058 10.804 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.214 10.858 6.536 1.00 0.00 H new ATOM 1143 N VAL A 78 1.528 7.161 6.828 1.00 0.00 N ATOM 1144 CA VAL A 78 2.074 6.093 6.000 1.00 0.00 C ATOM 1145 C VAL A 78 1.440 6.093 4.614 1.00 0.00 C ATOM 1146 O VAL A 78 0.312 5.633 4.435 1.00 0.00 O ATOM 1147 CB VAL A 78 1.859 4.713 6.650 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.311 3.605 5.712 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.594 4.631 7.980 1.00 0.00 C ATOM 0 H VAL A 78 0.635 6.938 7.269 1.00 0.00 H new ATOM 0 HA VAL A 78 3.144 6.281 5.907 1.00 0.00 H new ATOM 0 HB VAL A 78 0.794 4.582 6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.152 2.638 6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.736 3.654 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.370 3.728 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.431 3.650 8.426 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.661 4.783 7.816 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.217 5.402 8.652 1.00 0.00 H new ATOM 1159 N HIS A 79 2.173 6.613 3.634 1.00 0.00 N ATOM 1160 CA HIS A 79 1.682 6.673 2.261 1.00 0.00 C ATOM 1161 C HIS A 79 1.823 5.317 1.575 1.00 0.00 C ATOM 1162 O HIS A 79 2.840 4.638 1.724 1.00 0.00 O ATOM 1163 CB HIS A 79 2.442 7.739 1.472 1.00 0.00 C ATOM 1164 CG HIS A 79 2.383 9.100 2.093 1.00 0.00 C ATOM 1165 ND1 HIS A 79 2.185 10.253 1.363 1.00 0.00 N ATOM 1166 CD2 HIS A 79 2.495 9.489 3.385 1.00 0.00 C ATOM 1167 CE1 HIS A 79 2.180 11.292 2.178 1.00 0.00 C ATOM 1168 NE2 HIS A 79 2.366 10.856 3.411 1.00 0.00 N ATOM 0 H HIS A 79 3.108 6.999 3.765 1.00 0.00 H new ATOM 0 HA HIS A 79 0.625 6.938 2.289 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.485 7.436 1.379 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.034 7.791 0.462 1.00 0.00 H new ATOM 0 HD1 HIS A 79 2.062 10.297 0.351 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.656 8.844 4.236 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.047 12.323 1.886 1.00 0.00 H new ATOM 1176 N ILE A 80 0.797 4.930 0.825 1.00 0.00 N ATOM 1177 CA ILE A 80 0.807 3.657 0.116 1.00 0.00 C ATOM 1178 C ILE A 80 0.268 3.812 -1.302 1.00 0.00 C ATOM 1179 O ILE A 80 -0.902 4.142 -1.500 1.00 0.00 O ATOM 1180 CB ILE A 80 -0.025 2.593 0.856 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.706 2.128 2.117 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.314 1.414 -0.060 1.00 0.00 C ATOM 1183 CD1 ILE A 80 -0.181 1.384 3.091 1.00 0.00 C ATOM 0 H ILE A 80 -0.052 5.480 0.693 1.00 0.00 H new ATOM 0 HA ILE A 80 1.846 3.329 0.073 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.975 3.038 1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.536 1.483 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.135 2.995 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.903 0.671 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.872 1.758 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.625 0.967 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.404 1.085 3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.997 2.033 3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.590 0.497 2.606 1.00 0.00 H new ATOM 1195 N LYS A 81 1.127 3.570 -2.286 1.00 0.00 N ATOM 1196 CA LYS A 81 0.737 3.680 -3.687 1.00 0.00 C ATOM 1197 C LYS A 81 0.096 2.385 -4.176 1.00 0.00 C ATOM 1198 O LYS A 81 0.758 1.352 -4.279 1.00 0.00 O ATOM 1199 CB LYS A 81 1.954 4.017 -4.551 1.00 0.00 C ATOM 1200 CG LYS A 81 1.625 4.884 -5.754 1.00 0.00 C ATOM 1201 CD LYS A 81 1.801 6.361 -5.441 1.00 0.00 C ATOM 1202 CE LYS A 81 1.834 7.199 -6.710 1.00 0.00 C ATOM 1203 NZ LYS A 81 0.478 7.357 -7.306 1.00 0.00 N ATOM 0 H LYS A 81 2.099 3.296 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 81 0.005 4.483 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.695 4.529 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.412 3.090 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.269 4.609 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.598 4.697 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.985 6.698 -4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.725 6.508 -4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.249 8.182 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.498 6.731 -7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.550 7.891 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.071 6.419 -7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.135 7.872 -6.642 1.00 0.00 H new ATOM 1217 N THR A 82 -1.197 2.448 -4.478 1.00 0.00 N ATOM 1218 CA THR A 82 -1.927 1.281 -4.957 1.00 0.00 C ATOM 1219 C THR A 82 -2.198 1.378 -6.454 1.00 0.00 C ATOM 1220 O THR A 82 -2.393 2.469 -6.989 1.00 0.00 O ATOM 1221 CB THR A 82 -3.266 1.113 -4.214 1.00 0.00 C ATOM 1222 OG1 THR A 82 -3.929 2.377 -4.106 1.00 0.00 O ATOM 1223 CG2 THR A 82 -3.046 0.529 -2.827 1.00 0.00 C ATOM 0 H THR A 82 -1.760 3.295 -4.399 1.00 0.00 H new ATOM 0 HA THR A 82 -1.299 0.412 -4.760 1.00 0.00 H new ATOM 0 HB THR A 82 -3.889 0.425 -4.785 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.632 2.965 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.006 0.420 -2.322 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.569 -0.447 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.406 1.195 -2.249 1.00 0.00 H new ATOM 1231 N MET A 83 -2.210 0.231 -7.124 1.00 0.00 N ATOM 1232 CA MET A 83 -2.459 0.187 -8.560 1.00 0.00 C ATOM 1233 C MET A 83 -3.018 -1.170 -8.975 1.00 0.00 C ATOM 1234 O MET A 83 -2.558 -2.221 -8.526 1.00 0.00 O ATOM 1235 CB MET A 83 -1.171 0.479 -9.332 1.00 0.00 C ATOM 1236 CG MET A 83 -1.348 0.453 -10.842 1.00 0.00 C ATOM 1237 SD MET A 83 -1.770 2.070 -11.519 1.00 0.00 S ATOM 1238 CE MET A 83 -0.692 2.130 -12.949 1.00 0.00 C ATOM 0 H MET A 83 -2.050 -0.681 -6.696 1.00 0.00 H new ATOM 0 HA MET A 83 -3.198 0.952 -8.798 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.793 1.458 -9.036 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.414 -0.253 -9.050 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.428 0.098 -11.306 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.131 -0.260 -11.100 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.067 2.870 -13.656 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.315 2.406 -12.635 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.667 1.151 -13.427 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.033 -1.151 -9.851 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.676 -2.373 -10.345 1.00 0.00 C ATOM 1250 C PRO A 84 -3.765 -3.174 -11.268 1.00 0.00 C ATOM 1251 O PRO A 84 -3.400 -2.713 -12.349 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.890 -1.849 -11.115 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.511 -0.468 -11.525 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.632 0.064 -10.427 1.00 0.00 C ATOM 0 HA PRO A 84 -4.931 -3.056 -9.534 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.109 -2.473 -11.981 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.784 -1.846 -10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.983 -0.475 -12.479 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.395 0.157 -11.655 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.872 0.742 -10.814 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.207 0.619 -9.686 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.401 -4.377 -10.835 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.534 -5.244 -11.625 1.00 0.00 C ATOM 1264 C ALA A 85 -2.892 -5.175 -13.106 1.00 0.00 C ATOM 1265 O ALA A 85 -2.012 -5.129 -13.965 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.624 -6.678 -11.124 1.00 0.00 C ATOM 0 H ALA A 85 -3.693 -4.773 -9.942 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.508 -4.894 -11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.972 -7.314 -11.723 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.312 -6.719 -10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.652 -7.030 -11.210 1.00 0.00 H new ATOM 1272 N ALA A 86 -4.189 -5.169 -13.397 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.662 -5.105 -14.774 1.00 0.00 C ATOM 1274 C ALA A 86 -3.992 -3.964 -15.532 1.00 0.00 C ATOM 1275 O ALA A 86 -3.201 -4.193 -16.448 1.00 0.00 O ATOM 1276 CB ALA A 86 -6.175 -4.945 -14.805 1.00 0.00 C ATOM 0 H ALA A 86 -4.930 -5.208 -12.698 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.396 -6.040 -15.268 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.515 -4.899 -15.840 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.641 -5.796 -14.308 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.454 -4.026 -14.290 1.00 0.00 H new ATOM 1282 N THR A 87 -4.314 -2.733 -15.145 1.00 0.00 N ATOM 1283 CA THR A 87 -3.745 -1.556 -15.790 1.00 0.00 C ATOM 1284 C THR A 87 -2.267 -1.761 -16.102 1.00 0.00 C ATOM 1285 O THR A 87 -1.865 -1.784 -17.265 1.00 0.00 O ATOM 1286 CB THR A 87 -3.903 -0.302 -14.910 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.290 -0.062 -14.644 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.294 0.915 -15.588 1.00 0.00 C ATOM 0 H THR A 87 -4.966 -2.526 -14.388 1.00 0.00 H new ATOM 0 HA THR A 87 -4.293 -1.409 -16.721 1.00 0.00 H new ATOM 0 HB THR A 87 -3.378 -0.476 -13.971 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.395 0.816 -14.222 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.418 1.788 -14.948 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.232 0.741 -15.763 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.795 1.090 -16.540 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.461 -1.909 -15.056 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.026 -2.110 -15.218 1.00 0.00 C ATOM 1298 C TYR A 88 0.261 -3.109 -16.336 1.00 0.00 C ATOM 1299 O TYR A 88 0.853 -2.761 -17.357 1.00 0.00 O ATOM 1300 CB TYR A 88 0.593 -2.601 -13.909 1.00 0.00 C ATOM 1301 CG TYR A 88 2.070 -2.302 -13.788 1.00 0.00 C ATOM 1302 CD1 TYR A 88 2.932 -2.515 -14.856 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.603 -1.806 -12.604 1.00 0.00 C ATOM 1304 CE1 TYR A 88 4.282 -2.243 -14.749 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.952 -1.530 -12.489 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.787 -1.751 -13.564 1.00 0.00 C ATOM 1307 OH TYR A 88 6.132 -1.478 -13.454 1.00 0.00 O ATOM 0 H TYR A 88 -1.778 -1.893 -14.086 1.00 0.00 H new ATOM 0 HA TYR A 88 0.421 -1.153 -15.486 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.068 -2.139 -13.073 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.441 -3.677 -13.826 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.540 -2.900 -15.786 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.952 -1.633 -11.760 1.00 0.00 H new ATOM 0 HE1 TYR A 88 4.939 -2.415 -15.589 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.350 -1.143 -11.563 1.00 0.00 H new ATOM 0 HH TYR A 88 6.255 -0.608 -13.019 1.00 0.00 H new ATOM 1317 N ARG A 89 -0.165 -4.351 -16.133 1.00 0.00 N ATOM 1318 CA ARG A 89 0.046 -5.402 -17.122 1.00 0.00 C ATOM 1319 C ARG A 89 -0.232 -4.886 -18.531 1.00 0.00 C ATOM 1320 O ARG A 89 0.504 -5.189 -19.471 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.852 -6.603 -16.821 1.00 0.00 C ATOM 1322 CG ARG A 89 -0.430 -7.384 -15.587 1.00 0.00 C ATOM 1323 CD ARG A 89 -0.793 -8.856 -15.708 1.00 0.00 C ATOM 1324 NE ARG A 89 -0.092 -9.675 -14.723 1.00 0.00 N ATOM 1325 CZ ARG A 89 -0.280 -10.983 -14.588 1.00 0.00 C ATOM 1326 NH1 ARG A 89 -1.140 -11.617 -15.373 1.00 0.00 N ATOM 1327 NH2 ARG A 89 0.395 -11.660 -13.668 1.00 0.00 N ATOM 0 H ARG A 89 -0.658 -4.655 -15.293 1.00 0.00 H new ATOM 0 HA ARG A 89 1.089 -5.714 -17.067 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.877 -6.256 -16.688 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.851 -7.272 -17.682 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.646 -7.284 -15.442 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.911 -6.961 -14.705 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.869 -8.976 -15.580 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.551 -9.208 -16.711 1.00 0.00 H new ATOM 0 HE ARG A 89 0.578 -9.218 -14.105 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.659 -11.100 -16.083 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.282 -12.621 -15.267 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.059 -11.176 -13.064 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.250 -12.664 -13.565 1.00 0.00 H new ATOM 1341 N LEU A 90 -1.298 -4.105 -18.670 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.674 -3.547 -19.964 1.00 0.00 C ATOM 1343 C LEU A 90 -0.709 -2.442 -20.382 1.00 0.00 C ATOM 1344 O LEU A 90 -0.485 -2.216 -21.571 1.00 0.00 O ATOM 1345 CB LEU A 90 -3.102 -3.000 -19.910 1.00 0.00 C ATOM 1346 CG LEU A 90 -4.214 -3.993 -20.248 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.567 -3.445 -19.821 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -4.211 -4.311 -21.736 1.00 0.00 C ATOM 0 H LEU A 90 -1.917 -3.844 -17.902 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.625 -4.345 -20.704 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.283 -2.610 -18.908 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.173 -2.157 -20.598 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.029 -4.916 -19.699 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.346 -4.165 -20.070 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.565 -3.269 -18.745 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.760 -2.507 -20.342 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.009 -5.019 -21.958 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.370 -3.395 -22.304 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.251 -4.747 -22.013 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.140 -1.758 -19.396 1.00 0.00 N ATOM 1361 CA LEU A 91 0.804 -0.677 -19.660 1.00 0.00 C ATOM 1362 C LEU A 91 2.101 -1.219 -20.253 1.00 0.00 C ATOM 1363 O LEU A 91 2.620 -0.684 -21.233 1.00 0.00 O ATOM 1364 CB LEU A 91 1.101 0.094 -18.373 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.089 0.802 -17.725 1.00 0.00 C ATOM 1366 CD1 LEU A 91 0.199 1.100 -16.262 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.421 2.083 -18.477 1.00 0.00 C ATOM 0 H LEU A 91 -0.315 -1.932 -18.406 1.00 0.00 H new ATOM 0 HA LEU A 91 0.350 -0.001 -20.384 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.525 -0.600 -17.647 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.868 0.838 -18.588 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.953 0.140 -17.776 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.659 1.604 -15.818 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.387 0.167 -15.731 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.076 1.743 -16.187 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.270 2.574 -18.002 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.441 2.750 -18.458 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.672 1.844 -19.510 1.00 0.00 H new ATOM 1379 N THR A 92 2.619 -2.286 -19.653 1.00 0.00 N ATOM 1380 CA THR A 92 3.854 -2.902 -20.121 1.00 0.00 C ATOM 1381 C THR A 92 3.566 -4.131 -20.975 1.00 0.00 C ATOM 1382 O THR A 92 4.407 -5.020 -21.105 1.00 0.00 O ATOM 1383 CB THR A 92 4.760 -3.310 -18.944 1.00 0.00 C ATOM 1384 OG1 THR A 92 5.985 -3.862 -19.438 1.00 0.00 O ATOM 1385 CG2 THR A 92 4.063 -4.325 -18.051 1.00 0.00 C ATOM 0 H THR A 92 2.202 -2.742 -18.841 1.00 0.00 H new ATOM 0 HA THR A 92 4.370 -2.156 -20.725 1.00 0.00 H new ATOM 0 HB THR A 92 4.976 -2.419 -18.354 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.830 -4.268 -20.316 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.722 -4.598 -17.227 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.146 -3.891 -17.653 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.821 -5.215 -18.632 1.00 0.00 H new ATOM 1393 N GLY A 93 2.371 -4.176 -21.558 1.00 0.00 N ATOM 1394 CA GLY A 93 1.994 -5.301 -22.393 1.00 0.00 C ATOM 1395 C GLY A 93 2.830 -5.392 -23.654 1.00 0.00 C ATOM 1396 O GLY A 93 2.916 -4.433 -24.420 1.00 0.00 O ATOM 0 H GLY A 93 1.658 -3.453 -21.466 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.100 -6.224 -21.823 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.942 -5.212 -22.664 1.00 0.00 H new ATOM 1400 N GLN A 94 3.449 -6.549 -23.869 1.00 0.00 N ATOM 1401 CA GLN A 94 4.285 -6.760 -25.045 1.00 0.00 C ATOM 1402 C GLN A 94 3.805 -7.968 -25.843 1.00 0.00 C ATOM 1403 O GLN A 94 3.059 -8.805 -25.334 1.00 0.00 O ATOM 1404 CB GLN A 94 5.745 -6.954 -24.631 1.00 0.00 C ATOM 1405 CG GLN A 94 5.956 -8.114 -23.671 1.00 0.00 C ATOM 1406 CD GLN A 94 5.655 -9.458 -24.304 1.00 0.00 C ATOM 1407 OE1 GLN A 94 6.128 -9.760 -25.400 1.00 0.00 O ATOM 1408 NE2 GLN A 94 4.865 -10.273 -23.616 1.00 0.00 N ATOM 0 H GLN A 94 3.387 -7.353 -23.245 1.00 0.00 H new ATOM 0 HA GLN A 94 4.209 -5.876 -25.678 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.348 -7.118 -25.524 1.00 0.00 H new ATOM 0 HB3 GLN A 94 6.107 -6.037 -24.165 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.987 -8.106 -23.318 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.319 -7.978 -22.797 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.495 -9.981 -22.711 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.628 -11.191 -23.992 1.00 0.00 H new TER 1417 GLN A 94