USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 813 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 40 SER OG : rot 77:sc= -1.01 USER MOD Set 1.2: A 107 GLN : amide:sc= -0.497 K(o=-1.5,f=-5.7!) USER MOD Single : A 1 SER N :NH3+ 152:sc= 0.176 (180deg=0.00904) USER MOD Single : A 1 SER OG : rot 180:sc= 0.125 USER MOD Single : A 3 THR OG1 : rot -52:sc= 0.185 USER MOD Single : A 7 SER OG : rot -153:sc= 0.351 USER MOD Single : A 9 SER OG : rot -53:sc= 0.124 USER MOD Single : A 18 CYS SG : rot 175:sc= -0.418 USER MOD Single : A 19 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.34) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 23:sc= 0.00376 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -0.105 (180deg=-0.55) USER MOD Single : A 31 GLN : amide:sc= 1.12 K(o=1.1,f=-0.031) USER MOD Single : A 33 SER OG : rot -134:sc= 0.375 USER MOD Single : A 35 MET CE :methyl -150:sc= -3.01! (180deg=-6.42!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= -0.661 (180deg=-2.29!) USER MOD Single : A 39 SER OG : rot -57:sc= 0.0201 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -2.92 K(o=-2.9,f=-0.36) USER MOD Single : A 44 LYS NZ :NH3+ -131:sc= 1.17 (180deg=-0.21) USER MOD Single : A 52 ASN : amide:sc= 0.516 K(o=0.52,f=-1.1) USER MOD Single : A 54 GLN : amide:sc= -1.34 K(o=-1.3,f=0.57) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0166) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.31) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -60:sc= 1.35 USER MOD Single : A 80 SER OG : rot -170:sc= 0 USER MOD Single : A 82 THR OG1 : rot -83:sc= 0.547 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -56:sc= 0.962 USER MOD Single : A 91 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.47) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -4.9! C(o=-4.9!,f=-4.1!) USER MOD Single : A 105 MET CE :methyl -139:sc= -0.0905 (180deg=-1.04) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.978 0.530 0.507 1.00 0.00 N ATOM 2 CA SER A 1 2.692 -0.134 0.328 1.00 0.00 C ATOM 3 C SER A 1 2.826 -1.336 -0.602 1.00 0.00 C ATOM 4 O SER A 1 3.009 -1.183 -1.811 1.00 0.00 O ATOM 5 CB SER A 1 1.662 0.848 -0.234 1.00 0.00 C ATOM 6 OG SER A 1 1.798 2.126 0.363 1.00 0.00 O ATOM 0 H1 SER A 1 3.823 1.538 0.712 1.00 0.00 H new ATOM 0 H2 SER A 1 4.488 0.090 1.299 1.00 0.00 H new ATOM 0 H3 SER A 1 4.541 0.436 -0.362 1.00 0.00 H new ATOM 0 HA SER A 1 2.354 -0.487 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.786 0.932 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.656 0.466 -0.058 1.00 0.00 H new ATOM 0 HG SER A 1 1.130 2.736 -0.014 1.00 0.00 H new ATOM 12 N LEU A 2 2.733 -2.531 -0.030 1.00 0.00 N ATOM 13 CA LEU A 2 2.843 -3.761 -0.806 1.00 0.00 C ATOM 14 C LEU A 2 1.628 -4.657 -0.583 1.00 0.00 C ATOM 15 O LEU A 2 0.969 -4.581 0.455 1.00 0.00 O ATOM 16 CB LEU A 2 4.121 -4.512 -0.430 1.00 0.00 C ATOM 17 CG LEU A 2 4.481 -5.708 -1.313 1.00 0.00 C ATOM 18 CD1 LEU A 2 4.815 -5.249 -2.724 1.00 0.00 C ATOM 19 CD2 LEU A 2 5.646 -6.482 -0.712 1.00 0.00 C ATOM 0 H LEU A 2 2.582 -2.674 0.968 1.00 0.00 H new ATOM 0 HA LEU A 2 2.884 -3.493 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.952 -3.807 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.024 -4.861 0.598 1.00 0.00 H new ATOM 0 HG LEU A 2 3.617 -6.371 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.069 -6.114 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.953 -4.739 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.663 -4.565 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.889 -7.330 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.514 -5.828 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.370 -6.844 0.279 1.00 0.00 H new ATOM 31 N THR A 3 1.338 -5.508 -1.562 1.00 0.00 N ATOM 32 CA THR A 3 0.205 -6.419 -1.472 1.00 0.00 C ATOM 33 C THR A 3 -1.066 -5.678 -1.070 1.00 0.00 C ATOM 34 O THR A 3 -1.924 -6.228 -0.379 1.00 0.00 O ATOM 35 CB THR A 3 0.470 -7.548 -0.458 1.00 0.00 C ATOM 36 OG1 THR A 3 0.335 -7.048 0.877 1.00 0.00 O ATOM 37 CG2 THR A 3 1.862 -8.130 -0.648 1.00 0.00 C ATOM 0 H THR A 3 1.873 -5.585 -2.427 1.00 0.00 H new ATOM 0 HA THR A 3 0.071 -6.855 -2.462 1.00 0.00 H new ATOM 0 HB THR A 3 -0.263 -8.337 -0.626 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.888 -6.246 0.984 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.026 -8.925 0.079 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.952 -8.535 -1.656 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.607 -7.347 -0.504 1.00 0.00 H new ATOM 45 N ASP A 4 -1.180 -4.429 -1.507 1.00 0.00 N ATOM 46 CA ASP A 4 -2.347 -3.613 -1.194 1.00 0.00 C ATOM 47 C ASP A 4 -3.552 -4.048 -2.023 1.00 0.00 C ATOM 48 O ASP A 4 -4.463 -4.702 -1.515 1.00 0.00 O ATOM 49 CB ASP A 4 -2.045 -2.135 -1.446 1.00 0.00 C ATOM 50 CG ASP A 4 -3.258 -1.251 -1.230 1.00 0.00 C ATOM 51 OD1 ASP A 4 -3.854 -1.319 -0.134 1.00 0.00 O ATOM 52 OD2 ASP A 4 -3.611 -0.492 -2.156 1.00 0.00 O ATOM 0 H ASP A 4 -0.478 -3.959 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.585 -3.752 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.242 -1.813 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.685 -2.010 -2.467 1.00 0.00 H new ATOM 57 N ILE A 5 -3.549 -3.680 -3.299 1.00 0.00 N ATOM 58 CA ILE A 5 -4.642 -4.032 -4.198 1.00 0.00 C ATOM 59 C ILE A 5 -4.770 -5.544 -4.341 1.00 0.00 C ATOM 60 O ILE A 5 -5.843 -6.060 -4.658 1.00 0.00 O ATOM 61 CB ILE A 5 -4.447 -3.410 -5.593 1.00 0.00 C ATOM 62 CG1 ILE A 5 -5.797 -3.009 -6.191 1.00 0.00 C ATOM 63 CG2 ILE A 5 -3.723 -4.384 -6.510 1.00 0.00 C ATOM 64 CD1 ILE A 5 -5.857 -1.563 -6.631 1.00 0.00 C ATOM 0 H ILE A 5 -2.802 -3.138 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.555 -3.632 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.836 -2.513 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.011 -3.650 -7.046 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.580 -3.189 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.592 -3.930 -7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.747 -4.624 -6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.310 -5.297 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.842 -1.349 -7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.674 -0.914 -5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.097 -1.382 -7.391 1.00 0.00 H new ATOM 76 N LEU A 6 -3.670 -6.251 -4.104 1.00 0.00 N ATOM 77 CA LEU A 6 -3.659 -7.706 -4.205 1.00 0.00 C ATOM 78 C LEU A 6 -3.939 -8.348 -2.850 1.00 0.00 C ATOM 79 O LEU A 6 -4.313 -7.667 -1.894 1.00 0.00 O ATOM 80 CB LEU A 6 -2.311 -8.189 -4.742 1.00 0.00 C ATOM 81 CG LEU A 6 -2.350 -8.946 -6.070 1.00 0.00 C ATOM 82 CD1 LEU A 6 -1.172 -8.549 -6.946 1.00 0.00 C ATOM 83 CD2 LEU A 6 -2.354 -10.449 -5.827 1.00 0.00 C ATOM 0 H LEU A 6 -2.774 -5.840 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.447 -8.004 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.658 -7.324 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.854 -8.835 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.269 -8.680 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.217 -9.098 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.213 -7.479 -7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.240 -8.785 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.382 -10.972 -6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.452 -10.732 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.231 -10.720 -5.239 1.00 0.00 H new ATOM 95 N SER A 7 -3.754 -9.662 -2.773 1.00 0.00 N ATOM 96 CA SER A 7 -3.988 -10.396 -1.535 1.00 0.00 C ATOM 97 C SER A 7 -2.668 -10.806 -0.889 1.00 0.00 C ATOM 98 O SER A 7 -1.875 -11.556 -1.457 1.00 0.00 O ATOM 99 CB SER A 7 -4.842 -11.635 -1.806 1.00 0.00 C ATOM 100 OG SER A 7 -5.528 -12.048 -0.637 1.00 0.00 O ATOM 0 H SER A 7 -3.443 -10.240 -3.554 1.00 0.00 H new ATOM 0 HA SER A 7 -4.521 -9.739 -0.847 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.561 -11.419 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.208 -12.446 -2.165 1.00 0.00 H new ATOM 0 HG SER A 7 -5.701 -13.012 -0.682 1.00 0.00 H new ATOM 106 N PRO A 8 -2.425 -10.301 0.330 1.00 0.00 N ATOM 107 CA PRO A 8 -1.203 -10.600 1.082 1.00 0.00 C ATOM 108 C PRO A 8 -1.159 -12.046 1.564 1.00 0.00 C ATOM 109 O PRO A 8 -0.086 -12.590 1.828 1.00 0.00 O ATOM 110 CB PRO A 8 -1.275 -9.641 2.273 1.00 0.00 C ATOM 111 CG PRO A 8 -2.728 -9.363 2.448 1.00 0.00 C ATOM 112 CD PRO A 8 -3.326 -9.400 1.069 1.00 0.00 C ATOM 0 HA PRO A 8 -0.308 -10.476 0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.847 -10.090 3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.717 -8.725 2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.193 -10.107 3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.886 -8.391 2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.348 -9.778 1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.360 -8.408 0.619 1.00 0.00 H new ATOM 120 N SER A 9 -2.330 -12.664 1.678 1.00 0.00 N ATOM 121 CA SER A 9 -2.425 -14.046 2.132 1.00 0.00 C ATOM 122 C SER A 9 -2.490 -15.004 0.946 1.00 0.00 C ATOM 123 O SER A 9 -3.079 -16.082 1.037 1.00 0.00 O ATOM 124 CB SER A 9 -3.657 -14.230 3.019 1.00 0.00 C ATOM 125 OG SER A 9 -3.547 -15.402 3.809 1.00 0.00 O ATOM 0 H SER A 9 -3.227 -12.229 1.462 1.00 0.00 H new ATOM 0 HA SER A 9 -1.531 -14.274 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.776 -13.361 3.666 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.551 -14.289 2.398 1.00 0.00 H new ATOM 0 HG SER A 9 -3.356 -16.170 3.231 1.00 0.00 H new ATOM 131 N ASP A 10 -1.882 -14.603 -0.164 1.00 0.00 N ATOM 132 CA ASP A 10 -1.869 -15.425 -1.369 1.00 0.00 C ATOM 133 C ASP A 10 -0.511 -15.355 -2.060 1.00 0.00 C ATOM 134 O ASP A 10 0.054 -16.378 -2.446 1.00 0.00 O ATOM 135 CB ASP A 10 -2.970 -14.975 -2.331 1.00 0.00 C ATOM 136 CG ASP A 10 -4.358 -15.287 -1.809 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.520 -16.328 -1.138 1.00 0.00 O ATOM 138 OD2 ASP A 10 -5.283 -14.489 -2.070 1.00 0.00 O ATOM 0 H ASP A 10 -1.391 -13.713 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.054 -16.459 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.882 -13.902 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.829 -15.465 -3.295 1.00 0.00 H new ATOM 143 N ILE A 11 0.006 -14.140 -2.215 1.00 0.00 N ATOM 144 CA ILE A 11 1.297 -13.937 -2.860 1.00 0.00 C ATOM 145 C ILE A 11 2.389 -14.750 -2.173 1.00 0.00 C ATOM 146 O ILE A 11 3.400 -15.092 -2.785 1.00 0.00 O ATOM 147 CB ILE A 11 1.700 -12.451 -2.857 1.00 0.00 C ATOM 148 CG1 ILE A 11 0.643 -11.611 -3.577 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.062 -12.270 -3.510 1.00 0.00 C ATOM 150 CD1 ILE A 11 0.498 -10.213 -3.018 1.00 0.00 C ATOM 0 H ILE A 11 -0.449 -13.282 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 11 1.191 -14.274 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 11 1.766 -12.110 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.901 -11.546 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.319 -12.120 -3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.333 -11.214 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.809 -12.841 -2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.022 -12.625 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.268 -9.675 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.210 -10.269 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.448 -9.686 -3.106 1.00 0.00 H new ATOM 162 N ALA A 12 2.176 -15.057 -0.898 1.00 0.00 N ATOM 163 CA ALA A 12 3.140 -15.834 -0.129 1.00 0.00 C ATOM 164 C ALA A 12 2.978 -17.327 -0.392 1.00 0.00 C ATOM 165 O ALA A 12 3.924 -18.100 -0.240 1.00 0.00 O ATOM 166 CB ALA A 12 2.991 -15.539 1.357 1.00 0.00 C ATOM 0 H ALA A 12 1.345 -14.780 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 12 4.141 -15.542 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.717 -16.126 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.165 -14.478 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.984 -15.801 1.681 1.00 0.00 H new ATOM 172 N ALA A 13 1.774 -17.726 -0.786 1.00 0.00 N ATOM 173 CA ALA A 13 1.488 -19.127 -1.072 1.00 0.00 C ATOM 174 C ALA A 13 2.173 -19.575 -2.359 1.00 0.00 C ATOM 175 O ALA A 13 2.304 -20.771 -2.619 1.00 0.00 O ATOM 176 CB ALA A 13 -0.014 -19.351 -1.165 1.00 0.00 C ATOM 0 H ALA A 13 0.980 -17.099 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 13 1.883 -19.728 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.213 -20.401 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.482 -19.079 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.425 -18.734 -1.964 1.00 0.00 H new ATOM 182 N ALA A 14 2.607 -18.608 -3.161 1.00 0.00 N ATOM 183 CA ALA A 14 3.279 -18.904 -4.420 1.00 0.00 C ATOM 184 C ALA A 14 4.793 -18.805 -4.270 1.00 0.00 C ATOM 185 O ALA A 14 5.538 -19.583 -4.868 1.00 0.00 O ATOM 186 CB ALA A 14 2.792 -17.963 -5.511 1.00 0.00 C ATOM 0 H ALA A 14 2.505 -17.613 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 14 3.035 -19.928 -4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.302 -18.195 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.717 -18.085 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.007 -16.933 -5.226 1.00 0.00 H new ATOM 192 N LEU A 15 5.243 -17.844 -3.470 1.00 0.00 N ATOM 193 CA LEU A 15 6.669 -17.644 -3.243 1.00 0.00 C ATOM 194 C LEU A 15 7.306 -18.893 -2.642 1.00 0.00 C ATOM 195 O LEU A 15 8.487 -19.164 -2.858 1.00 0.00 O ATOM 196 CB LEU A 15 6.895 -16.447 -2.317 1.00 0.00 C ATOM 197 CG LEU A 15 6.673 -15.067 -2.938 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.938 -13.973 -1.916 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.560 -14.883 -4.160 1.00 0.00 C ATOM 0 H LEU A 15 4.640 -17.192 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 15 7.140 -17.446 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.232 -16.548 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.916 -16.493 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 15 5.633 -14.996 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.775 -12.998 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.261 -14.093 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.969 -14.042 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.389 -13.896 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.606 -14.975 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.322 -15.646 -4.901 1.00 0.00 H new ATOM 211 N ARG A 16 6.515 -19.650 -1.889 1.00 0.00 N ATOM 212 CA ARG A 16 7.001 -20.871 -1.257 1.00 0.00 C ATOM 213 C ARG A 16 6.722 -22.086 -2.137 1.00 0.00 C ATOM 214 O ARG A 16 7.383 -23.117 -2.016 1.00 0.00 O ATOM 215 CB ARG A 16 6.346 -21.058 0.112 1.00 0.00 C ATOM 216 CG ARG A 16 6.633 -22.410 0.745 1.00 0.00 C ATOM 217 CD ARG A 16 5.513 -23.401 0.474 1.00 0.00 C ATOM 218 NE ARG A 16 4.494 -23.376 1.519 1.00 0.00 N ATOM 219 CZ ARG A 16 3.405 -24.137 1.503 1.00 0.00 C ATOM 220 NH1 ARG A 16 3.196 -24.979 0.501 1.00 0.00 N ATOM 221 NH2 ARG A 16 2.523 -24.056 2.491 1.00 0.00 N ATOM 0 H ARG A 16 5.535 -19.439 -1.702 1.00 0.00 H new ATOM 0 HA ARG A 16 8.079 -20.778 -1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.693 -20.272 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.268 -20.936 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.571 -22.804 0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.761 -22.289 1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.052 -23.173 -0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.929 -24.406 0.397 1.00 0.00 H new ATOM 0 HE ARG A 16 4.625 -22.739 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.872 -25.044 -0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.359 -25.562 0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.681 -23.409 3.264 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.687 -24.641 2.478 1.00 0.00 H new ATOM 235 N ASP A 17 5.739 -21.956 -3.021 1.00 0.00 N ATOM 236 CA ASP A 17 5.372 -23.043 -3.921 1.00 0.00 C ATOM 237 C ASP A 17 6.072 -22.893 -5.268 1.00 0.00 C ATOM 238 O ASP A 17 5.641 -23.464 -6.271 1.00 0.00 O ATOM 239 CB ASP A 17 3.856 -23.079 -4.122 1.00 0.00 C ATOM 240 CG ASP A 17 3.392 -24.349 -4.807 1.00 0.00 C ATOM 241 OD1 ASP A 17 3.515 -25.432 -4.196 1.00 0.00 O ATOM 242 OD2 ASP A 17 2.906 -24.261 -5.953 1.00 0.00 O ATOM 0 H ASP A 17 5.182 -21.109 -3.134 1.00 0.00 H new ATOM 0 HA ASP A 17 5.693 -23.981 -3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.362 -22.991 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.551 -22.217 -4.716 1.00 0.00 H new ATOM 247 N CYS A 18 7.153 -22.120 -5.284 1.00 0.00 N ATOM 248 CA CYS A 18 7.912 -21.893 -6.509 1.00 0.00 C ATOM 249 C CYS A 18 9.410 -22.009 -6.249 1.00 0.00 C ATOM 250 O CYS A 18 10.225 -21.534 -7.040 1.00 0.00 O ATOM 251 CB CYS A 18 7.588 -20.514 -7.086 1.00 0.00 C ATOM 252 SG CYS A 18 8.314 -19.138 -6.164 1.00 0.00 S ATOM 0 H CYS A 18 7.523 -21.640 -4.463 1.00 0.00 H new ATOM 0 HA CYS A 18 7.626 -22.658 -7.231 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.939 -20.472 -8.117 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.506 -20.388 -7.113 1.00 0.00 H new ATOM 0 HG CYS A 18 8.082 -18.024 -6.793 1.00 0.00 H new ATOM 258 N GLN A 19 9.765 -22.643 -5.137 1.00 0.00 N ATOM 259 CA GLN A 19 11.166 -22.819 -4.772 1.00 0.00 C ATOM 260 C GLN A 19 11.905 -23.634 -5.829 1.00 0.00 C ATOM 261 O GLN A 19 13.133 -23.608 -5.900 1.00 0.00 O ATOM 262 CB GLN A 19 11.278 -23.508 -3.410 1.00 0.00 C ATOM 263 CG GLN A 19 11.011 -22.580 -2.236 1.00 0.00 C ATOM 264 CD GLN A 19 10.952 -23.316 -0.912 1.00 0.00 C ATOM 265 OE1 GLN A 19 11.645 -24.314 -0.713 1.00 0.00 O ATOM 266 NE2 GLN A 19 10.123 -22.826 0.001 1.00 0.00 N ATOM 0 H GLN A 19 9.102 -23.043 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 19 11.626 -21.833 -4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.574 -24.339 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.277 -23.932 -3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.793 -21.822 -2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.069 -22.056 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.568 -21.996 -0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.041 -23.279 0.911 1.00 0.00 H new ATOM 275 N ALA A 20 11.148 -24.357 -6.648 1.00 0.00 N ATOM 276 CA ALA A 20 11.731 -25.177 -7.702 1.00 0.00 C ATOM 277 C ALA A 20 12.214 -24.316 -8.864 1.00 0.00 C ATOM 278 O ALA A 20 11.773 -23.182 -9.053 1.00 0.00 O ATOM 279 CB ALA A 20 10.722 -26.207 -8.188 1.00 0.00 C ATOM 0 H ALA A 20 10.130 -24.391 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 20 12.594 -25.698 -7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.171 -26.813 -8.975 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.430 -26.850 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.842 -25.697 -8.580 1.00 0.00 H new ATOM 285 N PRO A 21 13.142 -24.865 -9.663 1.00 0.00 N ATOM 286 CA PRO A 21 13.704 -24.164 -10.821 1.00 0.00 C ATOM 287 C PRO A 21 12.690 -23.999 -11.948 1.00 0.00 C ATOM 288 O PRO A 21 11.877 -24.889 -12.198 1.00 0.00 O ATOM 289 CB PRO A 21 14.853 -25.074 -11.263 1.00 0.00 C ATOM 290 CG PRO A 21 14.470 -26.429 -10.778 1.00 0.00 C ATOM 291 CD PRO A 21 13.712 -26.212 -9.497 1.00 0.00 C ATOM 0 HA PRO A 21 14.017 -23.150 -10.571 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.974 -25.061 -12.346 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.801 -24.752 -10.832 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.854 -26.947 -11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.352 -27.047 -10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.934 -26.963 -9.358 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.367 -26.267 -8.628 1.00 0.00 H new ATOM 299 N ASP A 22 12.745 -22.857 -12.624 1.00 0.00 N ATOM 300 CA ASP A 22 11.832 -22.577 -13.726 1.00 0.00 C ATOM 301 C ASP A 22 10.408 -22.992 -13.371 1.00 0.00 C ATOM 302 O ASP A 22 9.642 -23.423 -14.233 1.00 0.00 O ATOM 303 CB ASP A 22 12.287 -23.306 -14.992 1.00 0.00 C ATOM 304 CG ASP A 22 12.111 -24.808 -14.890 1.00 0.00 C ATOM 305 OD1 ASP A 22 13.049 -25.486 -14.420 1.00 0.00 O ATOM 306 OD2 ASP A 22 11.034 -25.306 -15.279 1.00 0.00 O ATOM 0 H ASP A 22 13.412 -22.110 -12.428 1.00 0.00 H new ATOM 0 HA ASP A 22 11.844 -21.503 -13.910 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.720 -22.934 -15.846 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.336 -23.078 -15.182 1.00 0.00 H new ATOM 311 N SER A 23 10.059 -22.859 -12.095 1.00 0.00 N ATOM 312 CA SER A 23 8.728 -23.224 -11.624 1.00 0.00 C ATOM 313 C SER A 23 7.866 -21.983 -11.416 1.00 0.00 C ATOM 314 O SER A 23 6.638 -22.065 -11.377 1.00 0.00 O ATOM 315 CB SER A 23 8.826 -24.016 -10.318 1.00 0.00 C ATOM 316 OG SER A 23 7.579 -24.047 -9.646 1.00 0.00 O ATOM 0 H SER A 23 10.680 -22.501 -11.369 1.00 0.00 H new ATOM 0 HA SER A 23 8.258 -23.848 -12.385 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.154 -25.034 -10.530 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.580 -23.566 -9.672 1.00 0.00 H new ATOM 0 HG SER A 23 7.668 -24.560 -8.816 1.00 0.00 H new ATOM 322 N PHE A 24 8.518 -20.833 -11.282 1.00 0.00 N ATOM 323 CA PHE A 24 7.813 -19.573 -11.077 1.00 0.00 C ATOM 324 C PHE A 24 7.611 -18.841 -12.400 1.00 0.00 C ATOM 325 O PHE A 24 8.561 -18.615 -13.149 1.00 0.00 O ATOM 326 CB PHE A 24 8.587 -18.683 -10.102 1.00 0.00 C ATOM 327 CG PHE A 24 7.738 -17.633 -9.445 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.549 -17.976 -8.821 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.128 -16.304 -9.451 1.00 0.00 C ATOM 330 CE1 PHE A 24 5.765 -17.012 -8.215 1.00 0.00 C ATOM 331 CE2 PHE A 24 7.349 -15.336 -8.845 1.00 0.00 C ATOM 332 CZ PHE A 24 6.165 -15.691 -8.228 1.00 0.00 C ATOM 0 H PHE A 24 9.534 -20.747 -11.312 1.00 0.00 H new ATOM 0 HA PHE A 24 6.834 -19.799 -10.654 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.038 -19.308 -9.332 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.403 -18.197 -10.636 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.231 -19.008 -8.808 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.051 -16.021 -9.935 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.841 -17.292 -7.732 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.666 -14.303 -8.854 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.553 -14.936 -7.757 1.00 0.00 H new ATOM 342 N SER A 25 6.365 -18.473 -12.682 1.00 0.00 N ATOM 343 CA SER A 25 6.035 -17.771 -13.917 1.00 0.00 C ATOM 344 C SER A 25 4.958 -16.719 -13.672 1.00 0.00 C ATOM 345 O SER A 25 4.225 -16.762 -12.684 1.00 0.00 O ATOM 346 CB SER A 25 5.564 -18.762 -14.982 1.00 0.00 C ATOM 347 OG SER A 25 6.660 -19.296 -15.703 1.00 0.00 O ATOM 0 H SER A 25 5.567 -18.649 -12.072 1.00 0.00 H new ATOM 0 HA SER A 25 6.935 -17.269 -14.272 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.007 -19.571 -14.509 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.881 -18.264 -15.670 1.00 0.00 H new ATOM 0 HG SER A 25 7.475 -19.219 -15.164 1.00 0.00 H new ATOM 353 N PRO A 26 4.859 -15.749 -14.594 1.00 0.00 N ATOM 354 CA PRO A 26 3.875 -14.667 -14.502 1.00 0.00 C ATOM 355 C PRO A 26 2.449 -15.160 -14.726 1.00 0.00 C ATOM 356 O PRO A 26 1.512 -14.698 -14.074 1.00 0.00 O ATOM 357 CB PRO A 26 4.292 -13.712 -15.623 1.00 0.00 C ATOM 358 CG PRO A 26 5.011 -14.571 -16.605 1.00 0.00 C ATOM 359 CD PRO A 26 5.701 -15.635 -15.797 1.00 0.00 C ATOM 0 HA PRO A 26 3.865 -14.208 -13.513 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.425 -13.232 -16.077 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.936 -12.917 -15.247 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.316 -15.013 -17.319 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.731 -13.988 -17.179 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.757 -16.579 -16.339 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.723 -15.350 -15.547 1.00 0.00 H new ATOM 367 N LYS A 27 2.291 -16.101 -15.650 1.00 0.00 N ATOM 368 CA LYS A 27 0.980 -16.659 -15.959 1.00 0.00 C ATOM 369 C LYS A 27 0.719 -17.920 -15.142 1.00 0.00 C ATOM 370 O LYS A 27 0.062 -18.850 -15.610 1.00 0.00 O ATOM 371 CB LYS A 27 0.877 -16.975 -17.453 1.00 0.00 C ATOM 372 CG LYS A 27 1.874 -18.020 -17.924 1.00 0.00 C ATOM 373 CD LYS A 27 1.608 -18.437 -19.361 1.00 0.00 C ATOM 374 CE LYS A 27 1.827 -17.282 -20.325 1.00 0.00 C ATOM 375 NZ LYS A 27 2.193 -17.759 -21.688 1.00 0.00 N ATOM 0 H LYS A 27 3.056 -16.494 -16.199 1.00 0.00 H new ATOM 0 HA LYS A 27 0.226 -15.916 -15.698 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.132 -17.323 -17.674 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.029 -16.057 -18.021 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.886 -17.623 -17.841 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.820 -18.894 -17.275 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.264 -19.265 -19.628 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.584 -18.800 -19.452 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.920 -16.680 -20.382 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.616 -16.634 -19.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.334 -16.942 -22.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.072 -18.312 -21.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.429 -18.356 -22.064 1.00 0.00 H new ATOM 389 N LYS A 28 1.237 -17.945 -13.919 1.00 0.00 N ATOM 390 CA LYS A 28 1.059 -19.091 -13.035 1.00 0.00 C ATOM 391 C LYS A 28 0.619 -18.643 -11.645 1.00 0.00 C ATOM 392 O LYS A 28 -0.235 -19.272 -11.020 1.00 0.00 O ATOM 393 CB LYS A 28 2.358 -19.893 -12.937 1.00 0.00 C ATOM 394 CG LYS A 28 2.498 -20.960 -14.008 1.00 0.00 C ATOM 395 CD LYS A 28 1.686 -22.200 -13.670 1.00 0.00 C ATOM 396 CE LYS A 28 2.443 -23.120 -12.725 1.00 0.00 C ATOM 397 NZ LYS A 28 3.663 -23.688 -13.363 1.00 0.00 N ATOM 0 H LYS A 28 1.784 -17.184 -13.517 1.00 0.00 H new ATOM 0 HA LYS A 28 0.279 -19.725 -13.457 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.203 -19.208 -13.006 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.410 -20.366 -11.956 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.170 -20.559 -14.967 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.548 -21.231 -14.118 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.741 -21.905 -13.213 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.443 -22.738 -14.586 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.725 -22.567 -11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.789 -23.931 -12.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.930 -24.569 -12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.469 -23.889 -14.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.443 -23.004 -13.292 1.00 0.00 H new ATOM 411 N PHE A 29 1.207 -17.551 -11.167 1.00 0.00 N ATOM 412 CA PHE A 29 0.875 -17.018 -9.851 1.00 0.00 C ATOM 413 C PHE A 29 -0.293 -16.040 -9.939 1.00 0.00 C ATOM 414 O PHE A 29 -0.929 -15.722 -8.933 1.00 0.00 O ATOM 415 CB PHE A 29 2.092 -16.322 -9.237 1.00 0.00 C ATOM 416 CG PHE A 29 2.216 -14.877 -9.627 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.604 -14.523 -10.910 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.945 -13.873 -8.712 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.720 -13.194 -11.271 1.00 0.00 C ATOM 420 CE2 PHE A 29 2.059 -12.542 -9.067 1.00 0.00 C ATOM 421 CZ PHE A 29 2.446 -12.202 -10.349 1.00 0.00 C ATOM 0 H PHE A 29 1.916 -17.018 -11.671 1.00 0.00 H new ATOM 0 HA PHE A 29 0.581 -17.851 -9.213 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.032 -16.393 -8.151 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.995 -16.851 -9.541 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.818 -15.294 -11.635 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.641 -14.133 -7.709 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.025 -12.931 -12.273 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.846 -11.769 -8.343 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.534 -11.163 -10.630 1.00 0.00 H new ATOM 431 N PHE A 30 -0.570 -15.565 -11.149 1.00 0.00 N ATOM 432 CA PHE A 30 -1.660 -14.622 -11.369 1.00 0.00 C ATOM 433 C PHE A 30 -2.958 -15.138 -10.755 1.00 0.00 C ATOM 434 O PHE A 30 -3.792 -14.358 -10.296 1.00 0.00 O ATOM 435 CB PHE A 30 -1.854 -14.375 -12.867 1.00 0.00 C ATOM 436 CG PHE A 30 -2.524 -15.513 -13.581 1.00 0.00 C ATOM 437 CD1 PHE A 30 -1.872 -16.724 -13.747 1.00 0.00 C ATOM 438 CD2 PHE A 30 -3.807 -15.373 -14.086 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.486 -17.775 -14.403 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.426 -16.420 -14.742 1.00 0.00 C ATOM 441 CZ PHE A 30 -3.765 -17.621 -14.902 1.00 0.00 C ATOM 0 H PHE A 30 -0.055 -15.818 -11.992 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.398 -13.682 -10.883 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.448 -13.471 -13.004 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.882 -14.191 -13.325 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.872 -16.849 -13.359 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.329 -14.435 -13.966 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.967 -18.714 -14.525 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.427 -16.298 -15.129 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.247 -18.439 -15.417 1.00 0.00 H new ATOM 451 N GLN A 31 -3.121 -16.457 -10.753 1.00 0.00 N ATOM 452 CA GLN A 31 -4.318 -17.077 -10.197 1.00 0.00 C ATOM 453 C GLN A 31 -4.163 -17.313 -8.698 1.00 0.00 C ATOM 454 O GLN A 31 -5.139 -17.269 -7.949 1.00 0.00 O ATOM 455 CB GLN A 31 -4.608 -18.401 -10.906 1.00 0.00 C ATOM 456 CG GLN A 31 -3.721 -19.546 -10.444 1.00 0.00 C ATOM 457 CD GLN A 31 -3.527 -20.603 -11.514 1.00 0.00 C ATOM 458 OE1 GLN A 31 -4.494 -21.117 -12.076 1.00 0.00 O ATOM 459 NE2 GLN A 31 -2.274 -20.933 -11.800 1.00 0.00 N ATOM 0 H GLN A 31 -2.440 -17.116 -11.130 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.155 -16.397 -10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.651 -18.671 -10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.480 -18.264 -11.980 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.749 -19.151 -10.148 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.160 -20.007 -9.559 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.503 -20.481 -11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.082 -21.639 -12.511 1.00 0.00 H new ATOM 468 N ILE A 32 -2.931 -17.563 -8.268 1.00 0.00 N ATOM 469 CA ILE A 32 -2.649 -17.805 -6.859 1.00 0.00 C ATOM 470 C ILE A 32 -2.767 -16.520 -6.046 1.00 0.00 C ATOM 471 O ILE A 32 -3.665 -16.378 -5.217 1.00 0.00 O ATOM 472 CB ILE A 32 -1.241 -18.398 -6.660 1.00 0.00 C ATOM 473 CG1 ILE A 32 -1.111 -19.723 -7.413 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.954 -18.594 -5.179 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.304 -20.035 -7.847 1.00 0.00 C ATOM 0 H ILE A 32 -2.112 -17.603 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.390 -18.524 -6.508 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.508 -17.699 -7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.474 -20.530 -6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.755 -19.697 -8.292 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.044 -19.014 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.010 -17.633 -4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.690 -19.276 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.321 -20.989 -8.375 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.663 -19.247 -8.509 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.949 -20.094 -6.970 1.00 0.00 H new ATOM 487 N SER A 33 -1.854 -15.586 -6.292 1.00 0.00 N ATOM 488 CA SER A 33 -1.854 -14.312 -5.582 1.00 0.00 C ATOM 489 C SER A 33 -3.217 -13.634 -5.681 1.00 0.00 C ATOM 490 O SER A 33 -3.823 -13.281 -4.670 1.00 0.00 O ATOM 491 CB SER A 33 -0.771 -13.390 -6.145 1.00 0.00 C ATOM 492 OG SER A 33 -1.022 -13.081 -7.506 1.00 0.00 O ATOM 0 H SER A 33 -1.105 -15.687 -6.977 1.00 0.00 H new ATOM 0 HA SER A 33 -1.642 -14.510 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.732 -12.470 -5.561 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.204 -13.869 -6.051 1.00 0.00 H new ATOM 0 HG SER A 33 -0.196 -13.185 -8.023 1.00 0.00 H new ATOM 498 N GLY A 34 -3.695 -13.457 -6.909 1.00 0.00 N ATOM 499 CA GLY A 34 -4.983 -12.822 -7.120 1.00 0.00 C ATOM 500 C GLY A 34 -4.907 -11.667 -8.098 1.00 0.00 C ATOM 501 O GLY A 34 -5.483 -10.605 -7.861 1.00 0.00 O ATOM 0 H GLY A 34 -3.213 -13.742 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.693 -13.562 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.367 -12.461 -6.166 1.00 0.00 H new ATOM 505 N MET A 35 -4.194 -11.873 -9.201 1.00 0.00 N ATOM 506 CA MET A 35 -4.045 -10.839 -10.218 1.00 0.00 C ATOM 507 C MET A 35 -5.037 -11.050 -11.358 1.00 0.00 C ATOM 508 O MET A 35 -5.434 -10.100 -12.031 1.00 0.00 O ATOM 509 CB MET A 35 -2.616 -10.833 -10.764 1.00 0.00 C ATOM 510 CG MET A 35 -1.588 -10.317 -9.771 1.00 0.00 C ATOM 511 SD MET A 35 -0.268 -9.377 -10.563 1.00 0.00 S ATOM 512 CE MET A 35 0.210 -10.502 -11.872 1.00 0.00 C ATOM 0 H MET A 35 -3.711 -12.746 -9.413 1.00 0.00 H new ATOM 0 HA MET A 35 -4.253 -9.875 -9.754 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.345 -11.846 -11.061 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.582 -10.217 -11.663 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.085 -9.687 -9.033 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.155 -11.159 -9.231 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.268 -10.369 -12.097 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.033 -11.529 -11.552 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.380 -10.293 -12.765 1.00 0.00 H new ATOM 522 N SER A 36 -5.431 -12.302 -11.568 1.00 0.00 N ATOM 523 CA SER A 36 -6.373 -12.638 -12.629 1.00 0.00 C ATOM 524 C SER A 36 -7.643 -11.800 -12.514 1.00 0.00 C ATOM 525 O SER A 36 -8.266 -11.454 -13.518 1.00 0.00 O ATOM 526 CB SER A 36 -6.725 -14.126 -12.575 1.00 0.00 C ATOM 527 OG SER A 36 -7.904 -14.345 -11.821 1.00 0.00 O ATOM 0 H SER A 36 -5.113 -13.100 -11.018 1.00 0.00 H new ATOM 0 HA SER A 36 -5.898 -12.418 -13.585 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.861 -14.507 -13.587 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.899 -14.682 -12.133 1.00 0.00 H new ATOM 0 HG SER A 36 -8.108 -15.303 -11.803 1.00 0.00 H new ATOM 533 N LYS A 37 -8.021 -11.477 -11.282 1.00 0.00 N ATOM 534 CA LYS A 37 -9.215 -10.678 -11.032 1.00 0.00 C ATOM 535 C LYS A 37 -9.042 -9.259 -11.566 1.00 0.00 C ATOM 536 O LYS A 37 -10.015 -8.603 -11.939 1.00 0.00 O ATOM 537 CB LYS A 37 -9.522 -10.637 -9.534 1.00 0.00 C ATOM 538 CG LYS A 37 -8.318 -10.287 -8.676 1.00 0.00 C ATOM 539 CD LYS A 37 -8.718 -9.463 -7.463 1.00 0.00 C ATOM 540 CE LYS A 37 -7.772 -9.696 -6.295 1.00 0.00 C ATOM 541 NZ LYS A 37 -8.460 -9.536 -4.984 1.00 0.00 N ATOM 0 H LYS A 37 -7.517 -11.757 -10.440 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.050 -11.145 -11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.311 -9.907 -9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.909 -11.608 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.825 -11.202 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.595 -9.731 -9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.721 -8.405 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.735 -9.720 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.350 -10.699 -6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.940 -8.995 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.782 -9.703 -4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.841 -8.571 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.238 -10.222 -4.914 1.00 0.00 H new ATOM 555 N LYS A 38 -7.799 -8.793 -11.601 1.00 0.00 N ATOM 556 CA LYS A 38 -7.497 -7.453 -12.091 1.00 0.00 C ATOM 557 C LYS A 38 -8.154 -7.209 -13.446 1.00 0.00 C ATOM 558 O LYS A 38 -8.653 -8.138 -14.081 1.00 0.00 O ATOM 559 CB LYS A 38 -5.984 -7.257 -12.203 1.00 0.00 C ATOM 560 CG LYS A 38 -5.253 -7.397 -10.879 1.00 0.00 C ATOM 561 CD LYS A 38 -5.847 -6.490 -9.815 1.00 0.00 C ATOM 562 CE LYS A 38 -6.607 -7.285 -8.765 1.00 0.00 C ATOM 563 NZ LYS A 38 -6.331 -6.791 -7.387 1.00 0.00 N ATOM 0 H LYS A 38 -6.983 -9.324 -11.296 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.898 -6.733 -11.377 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.583 -7.985 -12.909 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.784 -6.268 -12.616 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.301 -8.433 -10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.199 -7.156 -11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.051 -5.920 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.518 -5.769 -10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.677 -7.222 -8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.331 -8.337 -8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.151 -6.986 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.493 -7.275 -7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.156 -5.766 -7.414 1.00 0.00 H new ATOM 577 N SER A 39 -8.147 -5.955 -13.885 1.00 0.00 N ATOM 578 CA SER A 39 -8.744 -5.589 -15.164 1.00 0.00 C ATOM 579 C SER A 39 -8.074 -4.346 -15.741 1.00 0.00 C ATOM 580 O SER A 39 -8.745 -3.397 -16.146 1.00 0.00 O ATOM 581 CB SER A 39 -10.245 -5.343 -14.999 1.00 0.00 C ATOM 582 OG SER A 39 -10.909 -5.386 -16.250 1.00 0.00 O ATOM 0 H SER A 39 -7.734 -5.175 -13.374 1.00 0.00 H new ATOM 0 HA SER A 39 -8.593 -6.417 -15.857 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.669 -6.094 -14.333 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.408 -4.373 -14.530 1.00 0.00 H new ATOM 0 HG SER A 39 -10.510 -4.726 -16.855 1.00 0.00 H new ATOM 588 N SER A 40 -6.745 -4.359 -15.773 1.00 0.00 N ATOM 589 CA SER A 40 -5.982 -3.231 -16.296 1.00 0.00 C ATOM 590 C SER A 40 -6.372 -1.937 -15.590 1.00 0.00 C ATOM 591 O SER A 40 -6.216 -0.846 -16.138 1.00 0.00 O ATOM 592 CB SER A 40 -6.207 -3.091 -17.803 1.00 0.00 C ATOM 593 OG SER A 40 -5.082 -3.550 -18.532 1.00 0.00 O ATOM 0 H SER A 40 -6.175 -5.138 -15.443 1.00 0.00 H new ATOM 0 HA SER A 40 -4.925 -3.422 -16.110 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.090 -3.658 -18.096 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.402 -2.047 -18.049 1.00 0.00 H new ATOM 0 HG SER A 40 -5.075 -4.530 -18.540 1.00 0.00 H new ATOM 599 N SER A 41 -6.881 -2.067 -14.369 1.00 0.00 N ATOM 600 CA SER A 41 -7.298 -0.908 -13.587 1.00 0.00 C ATOM 601 C SER A 41 -6.570 -0.866 -12.247 1.00 0.00 C ATOM 602 O SER A 41 -6.659 0.116 -11.512 1.00 0.00 O ATOM 603 CB SER A 41 -8.811 -0.939 -13.357 1.00 0.00 C ATOM 604 OG SER A 41 -9.424 0.242 -13.843 1.00 0.00 O ATOM 0 H SER A 41 -7.015 -2.963 -13.900 1.00 0.00 H new ATOM 0 HA SER A 41 -7.041 -0.010 -14.149 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.240 -1.808 -13.856 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.018 -1.049 -12.293 1.00 0.00 H new ATOM 0 HG SER A 41 -10.390 0.197 -13.686 1.00 0.00 H new ATOM 610 N GLN A 42 -5.850 -1.940 -11.939 1.00 0.00 N ATOM 611 CA GLN A 42 -5.106 -2.027 -10.687 1.00 0.00 C ATOM 612 C GLN A 42 -3.672 -2.483 -10.936 1.00 0.00 C ATOM 613 O GLN A 42 -2.839 -2.469 -10.030 1.00 0.00 O ATOM 614 CB GLN A 42 -5.800 -2.989 -9.722 1.00 0.00 C ATOM 615 CG GLN A 42 -7.258 -2.645 -9.463 1.00 0.00 C ATOM 616 CD GLN A 42 -8.213 -3.652 -10.073 1.00 0.00 C ATOM 617 OE1 GLN A 42 -9.198 -4.047 -9.449 1.00 0.00 O ATOM 618 NE2 GLN A 42 -7.926 -4.074 -11.299 1.00 0.00 N ATOM 0 H GLN A 42 -5.766 -2.761 -12.538 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.079 -1.033 -10.240 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.740 -4.000 -10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.262 -2.991 -8.774 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.429 -2.593 -8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.471 -1.656 -9.868 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.099 -3.720 -11.780 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.533 -4.752 -11.760 1.00 0.00 H new ATOM 627 N LEU A 43 -3.392 -2.889 -12.170 1.00 0.00 N ATOM 628 CA LEU A 43 -2.058 -3.351 -12.539 1.00 0.00 C ATOM 629 C LEU A 43 -1.029 -2.239 -12.363 1.00 0.00 C ATOM 630 O LEU A 43 -0.169 -2.307 -11.485 1.00 0.00 O ATOM 631 CB LEU A 43 -2.050 -3.844 -13.987 1.00 0.00 C ATOM 632 CG LEU A 43 -2.994 -5.004 -14.306 1.00 0.00 C ATOM 633 CD1 LEU A 43 -2.385 -5.912 -15.363 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.314 -5.793 -13.044 1.00 0.00 C ATOM 0 H LEU A 43 -4.070 -2.908 -12.931 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.791 -4.176 -11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.304 -3.006 -14.636 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.034 -4.148 -14.241 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.924 -4.593 -14.700 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.071 -6.732 -15.577 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.206 -5.341 -16.274 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.441 -6.315 -14.996 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.987 -6.615 -13.289 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.392 -6.193 -12.621 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.792 -5.137 -12.316 1.00 0.00 H new ATOM 646 N LYS A 44 -1.124 -1.213 -13.203 1.00 0.00 N ATOM 647 CA LYS A 44 -0.204 -0.084 -13.139 1.00 0.00 C ATOM 648 C LYS A 44 -0.487 0.780 -11.914 1.00 0.00 C ATOM 649 O LYS A 44 0.285 1.681 -11.587 1.00 0.00 O ATOM 650 CB LYS A 44 -0.314 0.762 -14.409 1.00 0.00 C ATOM 651 CG LYS A 44 -1.333 1.884 -14.307 1.00 0.00 C ATOM 652 CD LYS A 44 -2.741 1.342 -14.126 1.00 0.00 C ATOM 653 CE LYS A 44 -3.292 0.777 -15.427 1.00 0.00 C ATOM 654 NZ LYS A 44 -4.587 1.410 -15.802 1.00 0.00 N ATOM 0 H LYS A 44 -1.829 -1.141 -13.936 1.00 0.00 H new ATOM 0 HA LYS A 44 0.809 -0.477 -13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.663 1.189 -14.636 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.581 0.115 -15.244 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.080 2.531 -13.467 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.291 2.498 -15.207 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.737 0.564 -13.363 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.395 2.137 -13.767 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.567 0.932 -16.226 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.430 -0.300 -15.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.280 0.671 -16.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.941 1.975 -15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.446 2.027 -16.627 1.00 0.00 H new ATOM 668 N GLU A 45 -1.598 0.498 -11.240 1.00 0.00 N ATOM 669 CA GLU A 45 -1.981 1.250 -10.051 1.00 0.00 C ATOM 670 C GLU A 45 -0.838 1.287 -9.040 1.00 0.00 C ATOM 671 O GLU A 45 -0.516 2.341 -8.491 1.00 0.00 O ATOM 672 CB GLU A 45 -3.225 0.632 -9.409 1.00 0.00 C ATOM 673 CG GLU A 45 -3.707 1.378 -8.176 1.00 0.00 C ATOM 674 CD GLU A 45 -5.190 1.189 -7.923 1.00 0.00 C ATOM 675 OE1 GLU A 45 -5.927 0.912 -8.892 1.00 0.00 O ATOM 676 OE2 GLU A 45 -5.614 1.319 -6.756 1.00 0.00 O ATOM 0 H GLU A 45 -2.248 -0.245 -11.497 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.208 2.272 -10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.029 0.606 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.008 -0.401 -9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.147 1.035 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.495 2.441 -8.293 1.00 0.00 H new ATOM 683 N ILE A 46 -0.231 0.130 -8.799 1.00 0.00 N ATOM 684 CA ILE A 46 0.875 0.031 -7.855 1.00 0.00 C ATOM 685 C ILE A 46 2.203 0.358 -8.528 1.00 0.00 C ATOM 686 O ILE A 46 3.177 0.714 -7.864 1.00 0.00 O ATOM 687 CB ILE A 46 0.960 -1.376 -7.233 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.422 -1.834 -6.763 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.949 -1.385 -6.077 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.122 -2.748 -7.745 1.00 0.00 C ATOM 0 H ILE A 46 -0.486 -0.752 -9.244 1.00 0.00 H new ATOM 0 HA ILE A 46 0.682 0.757 -7.066 1.00 0.00 H new ATOM 0 HB ILE A 46 1.313 -2.073 -7.993 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.320 -2.350 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.046 -0.958 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.998 -2.386 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.936 -1.097 -6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.623 -0.679 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.096 -3.033 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.256 -2.228 -8.694 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.519 -3.642 -7.903 1.00 0.00 H new ATOM 702 N PHE A 47 2.236 0.237 -9.851 1.00 0.00 N ATOM 703 CA PHE A 47 3.445 0.521 -10.615 1.00 0.00 C ATOM 704 C PHE A 47 4.683 0.012 -9.883 1.00 0.00 C ATOM 705 O PHE A 47 5.728 0.663 -9.883 1.00 0.00 O ATOM 706 CB PHE A 47 3.571 2.024 -10.870 1.00 0.00 C ATOM 707 CG PHE A 47 3.392 2.859 -9.635 1.00 0.00 C ATOM 708 CD1 PHE A 47 4.473 3.155 -8.820 1.00 0.00 C ATOM 709 CD2 PHE A 47 2.143 3.349 -9.288 1.00 0.00 C ATOM 710 CE1 PHE A 47 4.311 3.923 -7.682 1.00 0.00 C ATOM 711 CE2 PHE A 47 1.975 4.117 -8.152 1.00 0.00 C ATOM 712 CZ PHE A 47 3.061 4.405 -7.348 1.00 0.00 C ATOM 0 H PHE A 47 1.439 -0.056 -10.416 1.00 0.00 H new ATOM 0 HA PHE A 47 3.371 0.002 -11.571 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.551 2.231 -11.299 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.829 2.322 -11.611 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.453 2.781 -9.077 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.291 3.128 -9.913 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.161 4.146 -7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.996 4.492 -7.893 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.932 5.006 -6.460 1.00 0.00 H new ATOM 722 N ARG A 48 4.557 -1.155 -9.259 1.00 0.00 N ATOM 723 CA ARG A 48 5.664 -1.750 -8.522 1.00 0.00 C ATOM 724 C ARG A 48 5.759 -3.248 -8.799 1.00 0.00 C ATOM 725 O ARG A 48 6.614 -3.939 -8.244 1.00 0.00 O ATOM 726 CB ARG A 48 5.493 -1.509 -7.021 1.00 0.00 C ATOM 727 CG ARG A 48 4.872 -2.683 -6.282 1.00 0.00 C ATOM 728 CD ARG A 48 4.640 -2.359 -4.815 1.00 0.00 C ATOM 729 NE ARG A 48 5.877 -2.411 -4.040 1.00 0.00 N ATOM 730 CZ ARG A 48 6.671 -1.363 -3.851 1.00 0.00 C ATOM 731 NH1 ARG A 48 6.359 -0.187 -4.377 1.00 0.00 N ATOM 732 NH2 ARG A 48 7.781 -1.490 -3.134 1.00 0.00 N ATOM 0 H ARG A 48 3.699 -1.707 -9.250 1.00 0.00 H new ATOM 0 HA ARG A 48 6.587 -1.276 -8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.467 -1.290 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.871 -0.627 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.925 -2.949 -6.751 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.524 -3.552 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.200 -1.366 -4.729 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.921 -3.064 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 48 6.146 -3.301 -3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.507 -0.085 -4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.971 0.616 -4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.025 -2.393 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.390 -0.684 -2.990 1.00 0.00 H new ATOM 746 N ILE A 49 4.877 -3.742 -9.661 1.00 0.00 N ATOM 747 CA ILE A 49 4.862 -5.156 -10.012 1.00 0.00 C ATOM 748 C ILE A 49 5.236 -5.363 -11.476 1.00 0.00 C ATOM 749 O ILE A 49 5.962 -6.298 -11.817 1.00 0.00 O ATOM 750 CB ILE A 49 3.481 -5.786 -9.753 1.00 0.00 C ATOM 751 CG1 ILE A 49 2.389 -4.985 -10.466 1.00 0.00 C ATOM 752 CG2 ILE A 49 3.203 -5.858 -8.259 1.00 0.00 C ATOM 753 CD1 ILE A 49 0.989 -5.473 -10.166 1.00 0.00 C ATOM 0 H ILE A 49 4.163 -3.184 -10.129 1.00 0.00 H new ATOM 0 HA ILE A 49 5.601 -5.646 -9.378 1.00 0.00 H new ATOM 0 HB ILE A 49 3.480 -6.800 -10.152 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.470 -3.937 -10.176 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.559 -5.032 -11.542 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.223 -6.306 -8.092 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.967 -6.467 -7.776 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.219 -4.853 -7.837 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.267 -4.860 -10.705 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.890 -6.512 -10.482 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.800 -5.400 -9.095 1.00 0.00 H new ATOM 765 N LEU A 50 4.738 -4.484 -12.338 1.00 0.00 N ATOM 766 CA LEU A 50 5.021 -4.568 -13.767 1.00 0.00 C ATOM 767 C LEU A 50 6.476 -4.212 -14.055 1.00 0.00 C ATOM 768 O LEU A 50 7.237 -5.033 -14.568 1.00 0.00 O ATOM 769 CB LEU A 50 4.092 -3.637 -14.547 1.00 0.00 C ATOM 770 CG LEU A 50 2.628 -3.622 -14.103 1.00 0.00 C ATOM 771 CD1 LEU A 50 1.972 -2.301 -14.471 1.00 0.00 C ATOM 772 CD2 LEU A 50 1.871 -4.788 -14.723 1.00 0.00 C ATOM 0 H LEU A 50 4.136 -3.705 -12.073 1.00 0.00 H new ATOM 0 HA LEU A 50 4.847 -5.595 -14.087 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.483 -2.622 -14.474 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.129 -3.918 -15.599 1.00 0.00 H new ATOM 0 HG LEU A 50 2.596 -3.730 -13.019 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.931 -2.309 -14.147 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.499 -1.484 -13.979 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.015 -2.162 -15.551 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.831 -4.762 -14.396 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.912 -4.712 -15.810 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.327 -5.727 -14.408 1.00 0.00 H new ATOM 784 N ASP A 51 6.856 -2.984 -13.722 1.00 0.00 N ATOM 785 CA ASP A 51 8.221 -2.519 -13.942 1.00 0.00 C ATOM 786 C ASP A 51 8.605 -1.457 -12.917 1.00 0.00 C ATOM 787 O ASP A 51 7.853 -0.514 -12.674 1.00 0.00 O ATOM 788 CB ASP A 51 8.370 -1.959 -15.357 1.00 0.00 C ATOM 789 CG ASP A 51 7.790 -0.564 -15.491 1.00 0.00 C ATOM 790 OD1 ASP A 51 6.677 -0.333 -14.975 1.00 0.00 O ATOM 791 OD2 ASP A 51 8.449 0.295 -16.113 1.00 0.00 O ATOM 0 H ASP A 51 6.238 -2.292 -13.298 1.00 0.00 H new ATOM 0 HA ASP A 51 8.892 -3.370 -13.825 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.426 -1.938 -15.627 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.874 -2.625 -16.063 1.00 0.00 H new ATOM 796 N ASN A 52 9.781 -1.616 -12.319 1.00 0.00 N ATOM 797 CA ASN A 52 10.265 -0.671 -11.319 1.00 0.00 C ATOM 798 C ASN A 52 11.133 0.405 -11.963 1.00 0.00 C ATOM 799 O ASN A 52 11.905 1.083 -11.284 1.00 0.00 O ATOM 800 CB ASN A 52 11.061 -1.404 -10.237 1.00 0.00 C ATOM 801 CG ASN A 52 10.763 -0.881 -8.845 1.00 0.00 C ATOM 802 OD1 ASN A 52 10.385 -1.639 -7.952 1.00 0.00 O ATOM 803 ND2 ASN A 52 10.932 0.423 -8.655 1.00 0.00 N ATOM 0 H ASN A 52 10.417 -2.391 -12.509 1.00 0.00 H new ATOM 0 HA ASN A 52 9.400 -0.190 -10.862 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.831 -2.469 -10.279 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.127 -1.300 -10.441 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.747 0.833 -7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.247 1.014 -9.424 1.00 0.00 H new ATOM 810 N ASP A 53 11.000 0.558 -13.276 1.00 0.00 N ATOM 811 CA ASP A 53 11.770 1.553 -14.012 1.00 0.00 C ATOM 812 C ASP A 53 10.882 2.714 -14.448 1.00 0.00 C ATOM 813 O ASP A 53 11.310 3.868 -14.446 1.00 0.00 O ATOM 814 CB ASP A 53 12.433 0.915 -15.234 1.00 0.00 C ATOM 815 CG ASP A 53 13.537 1.779 -15.812 1.00 0.00 C ATOM 816 OD1 ASP A 53 13.887 2.796 -15.178 1.00 0.00 O ATOM 817 OD2 ASP A 53 14.051 1.436 -16.897 1.00 0.00 O ATOM 0 H ASP A 53 10.366 0.005 -13.852 1.00 0.00 H new ATOM 0 HA ASP A 53 12.544 1.940 -13.349 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.844 -0.056 -14.955 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.679 0.734 -16.000 1.00 0.00 H new ATOM 822 N GLN A 54 9.646 2.400 -14.820 1.00 0.00 N ATOM 823 CA GLN A 54 8.699 3.418 -15.260 1.00 0.00 C ATOM 824 C GLN A 54 9.271 4.230 -16.417 1.00 0.00 C ATOM 825 O GLN A 54 8.859 5.365 -16.655 1.00 0.00 O ATOM 826 CB GLN A 54 8.339 4.346 -14.098 1.00 0.00 C ATOM 827 CG GLN A 54 7.055 3.956 -13.384 1.00 0.00 C ATOM 828 CD GLN A 54 7.059 2.513 -12.921 1.00 0.00 C ATOM 829 OE1 GLN A 54 8.023 2.047 -12.312 1.00 0.00 O ATOM 830 NE2 GLN A 54 5.979 1.796 -13.209 1.00 0.00 N ATOM 0 H GLN A 54 9.277 1.449 -14.826 1.00 0.00 H new ATOM 0 HA GLN A 54 7.797 2.914 -15.606 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.158 4.349 -13.379 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.241 5.364 -14.474 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.910 4.609 -12.523 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.209 4.117 -14.052 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.203 2.223 -13.716 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.925 0.818 -12.924 1.00 0.00 H new ATOM 839 N SER A 55 10.224 3.641 -17.133 1.00 0.00 N ATOM 840 CA SER A 55 10.856 4.312 -18.263 1.00 0.00 C ATOM 841 C SER A 55 10.013 4.161 -19.525 1.00 0.00 C ATOM 842 O SER A 55 10.063 5.000 -20.423 1.00 0.00 O ATOM 843 CB SER A 55 12.257 3.746 -18.501 1.00 0.00 C ATOM 844 OG SER A 55 12.980 4.543 -19.423 1.00 0.00 O ATOM 0 H SER A 55 10.575 2.701 -16.951 1.00 0.00 H new ATOM 0 HA SER A 55 10.936 5.373 -18.025 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.798 3.697 -17.556 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.181 2.726 -18.878 1.00 0.00 H new ATOM 0 HG SER A 55 13.872 4.161 -19.557 1.00 0.00 H new ATOM 850 N GLY A 56 9.237 3.083 -19.586 1.00 0.00 N ATOM 851 CA GLY A 56 8.393 2.840 -20.741 1.00 0.00 C ATOM 852 C GLY A 56 8.258 1.364 -21.060 1.00 0.00 C ATOM 853 O GLY A 56 7.149 0.860 -21.242 1.00 0.00 O ATOM 0 H GLY A 56 9.178 2.373 -18.856 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.404 3.261 -20.560 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.807 3.359 -21.605 1.00 0.00 H new ATOM 857 N PHE A 57 9.388 0.669 -21.130 1.00 0.00 N ATOM 858 CA PHE A 57 9.391 -0.758 -21.431 1.00 0.00 C ATOM 859 C PHE A 57 10.081 -1.547 -20.322 1.00 0.00 C ATOM 860 O PHE A 57 10.493 -0.982 -19.309 1.00 0.00 O ATOM 861 CB PHE A 57 10.090 -1.017 -22.767 1.00 0.00 C ATOM 862 CG PHE A 57 11.575 -1.205 -22.640 1.00 0.00 C ATOM 863 CD1 PHE A 57 12.371 -0.202 -22.112 1.00 0.00 C ATOM 864 CD2 PHE A 57 12.175 -2.385 -23.050 1.00 0.00 C ATOM 865 CE1 PHE A 57 13.738 -0.371 -21.993 1.00 0.00 C ATOM 866 CE2 PHE A 57 13.540 -2.561 -22.933 1.00 0.00 C ATOM 867 CZ PHE A 57 14.323 -1.552 -22.406 1.00 0.00 C ATOM 0 H PHE A 57 10.314 1.071 -20.982 1.00 0.00 H new ATOM 0 HA PHE A 57 8.356 -1.091 -21.499 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.658 -1.905 -23.228 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.894 -0.181 -23.439 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.918 0.724 -21.789 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.568 -3.176 -23.466 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.347 0.419 -21.578 1.00 0.00 H new ATOM 0 HE2 PHE A 57 13.995 -3.487 -23.253 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.391 -1.687 -22.317 1.00 0.00 H new ATOM 877 N ILE A 58 10.201 -2.855 -20.522 1.00 0.00 N ATOM 878 CA ILE A 58 10.840 -3.722 -19.540 1.00 0.00 C ATOM 879 C ILE A 58 11.929 -4.573 -20.184 1.00 0.00 C ATOM 880 O ILE A 58 11.881 -4.858 -21.380 1.00 0.00 O ATOM 881 CB ILE A 58 9.818 -4.648 -18.856 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.597 -3.847 -18.399 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.458 -5.366 -17.677 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.510 -4.700 -17.784 1.00 0.00 C ATOM 0 H ILE A 58 9.864 -3.338 -21.355 1.00 0.00 H new ATOM 0 HA ILE A 58 11.287 -3.071 -18.789 1.00 0.00 H new ATOM 0 HB ILE A 58 9.490 -5.397 -19.577 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.915 -3.099 -17.673 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.186 -3.308 -19.253 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.722 -6.017 -17.204 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.299 -5.964 -18.028 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.812 -4.632 -16.953 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.676 -4.066 -17.483 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.165 -5.432 -18.514 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.905 -5.218 -16.910 1.00 0.00 H new ATOM 896 N GLU A 59 12.910 -4.977 -19.382 1.00 0.00 N ATOM 897 CA GLU A 59 14.010 -5.797 -19.875 1.00 0.00 C ATOM 898 C GLU A 59 14.315 -6.937 -18.907 1.00 0.00 C ATOM 899 O GLU A 59 13.829 -6.951 -17.777 1.00 0.00 O ATOM 900 CB GLU A 59 15.261 -4.940 -20.081 1.00 0.00 C ATOM 901 CG GLU A 59 16.252 -5.538 -21.066 1.00 0.00 C ATOM 902 CD GLU A 59 15.598 -5.964 -22.366 1.00 0.00 C ATOM 903 OE1 GLU A 59 15.101 -7.108 -22.431 1.00 0.00 O ATOM 904 OE2 GLU A 59 15.583 -5.155 -23.317 1.00 0.00 O ATOM 0 H GLU A 59 12.965 -4.750 -18.389 1.00 0.00 H new ATOM 0 HA GLU A 59 13.710 -6.226 -20.831 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.961 -3.953 -20.434 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.757 -4.798 -19.121 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.033 -4.808 -21.279 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.738 -6.400 -20.609 1.00 0.00 H new ATOM 911 N GLU A 60 15.122 -7.891 -19.361 1.00 0.00 N ATOM 912 CA GLU A 60 15.490 -9.035 -18.536 1.00 0.00 C ATOM 913 C GLU A 60 16.180 -8.581 -17.252 1.00 0.00 C ATOM 914 O GLU A 60 16.235 -9.321 -16.270 1.00 0.00 O ATOM 915 CB GLU A 60 16.409 -9.979 -19.315 1.00 0.00 C ATOM 916 CG GLU A 60 15.684 -10.804 -20.365 1.00 0.00 C ATOM 917 CD GLU A 60 16.624 -11.685 -21.165 1.00 0.00 C ATOM 918 OE1 GLU A 60 17.715 -12.009 -20.652 1.00 0.00 O ATOM 919 OE2 GLU A 60 16.267 -12.050 -22.305 1.00 0.00 O ATOM 0 H GLU A 60 15.533 -7.894 -20.295 1.00 0.00 H new ATOM 0 HA GLU A 60 14.577 -9.566 -18.269 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.190 -9.394 -19.800 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.904 -10.652 -18.614 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.934 -11.427 -19.878 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.152 -10.136 -21.043 1.00 0.00 H new ATOM 926 N ASP A 61 16.704 -7.361 -17.269 1.00 0.00 N ATOM 927 CA ASP A 61 17.390 -6.807 -16.107 1.00 0.00 C ATOM 928 C ASP A 61 16.389 -6.364 -15.046 1.00 0.00 C ATOM 929 O ASP A 61 16.772 -5.962 -13.947 1.00 0.00 O ATOM 930 CB ASP A 61 18.269 -5.626 -16.522 1.00 0.00 C ATOM 931 CG ASP A 61 19.089 -5.082 -15.369 1.00 0.00 C ATOM 932 OD1 ASP A 61 19.865 -5.859 -14.774 1.00 0.00 O ATOM 933 OD2 ASP A 61 18.956 -3.879 -15.063 1.00 0.00 O ATOM 0 H ASP A 61 16.667 -6.736 -18.074 1.00 0.00 H new ATOM 0 HA ASP A 61 18.021 -7.587 -15.682 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.938 -5.939 -17.324 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.640 -4.832 -16.923 1.00 0.00 H new ATOM 938 N GLU A 62 15.105 -6.438 -15.382 1.00 0.00 N ATOM 939 CA GLU A 62 14.049 -6.042 -14.458 1.00 0.00 C ATOM 940 C GLU A 62 13.147 -7.227 -14.122 1.00 0.00 C ATOM 941 O GLU A 62 12.045 -7.054 -13.600 1.00 0.00 O ATOM 942 CB GLU A 62 13.216 -4.907 -15.056 1.00 0.00 C ATOM 943 CG GLU A 62 13.783 -3.525 -14.779 1.00 0.00 C ATOM 944 CD GLU A 62 13.092 -2.439 -15.581 1.00 0.00 C ATOM 945 OE1 GLU A 62 11.919 -2.135 -15.278 1.00 0.00 O ATOM 946 OE2 GLU A 62 13.723 -1.894 -16.510 1.00 0.00 O ATOM 0 H GLU A 62 14.771 -6.769 -16.287 1.00 0.00 H new ATOM 0 HA GLU A 62 14.519 -5.693 -13.539 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.142 -5.051 -16.134 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.203 -4.962 -14.657 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.687 -3.303 -13.716 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.848 -3.520 -15.010 1.00 0.00 H new ATOM 953 N LEU A 63 13.623 -8.429 -14.425 1.00 0.00 N ATOM 954 CA LEU A 63 12.861 -9.644 -14.157 1.00 0.00 C ATOM 955 C LEU A 63 13.502 -10.452 -13.033 1.00 0.00 C ATOM 956 O LEU A 63 12.843 -11.263 -12.382 1.00 0.00 O ATOM 957 CB LEU A 63 12.762 -10.498 -15.422 1.00 0.00 C ATOM 958 CG LEU A 63 12.434 -9.748 -16.714 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.355 -10.714 -17.886 1.00 0.00 C ATOM 960 CD2 LEU A 63 11.130 -8.977 -16.567 1.00 0.00 C ATOM 0 H LEU A 63 14.533 -8.589 -14.857 1.00 0.00 H new ATOM 0 HA LEU A 63 11.858 -9.352 -13.844 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.709 -11.020 -15.559 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.998 -11.259 -15.263 1.00 0.00 H new ATOM 0 HG LEU A 63 13.234 -9.035 -16.911 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.121 -10.163 -18.797 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.313 -11.221 -18.005 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.575 -11.452 -17.698 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.913 -8.450 -17.496 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.320 -9.672 -16.346 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.223 -8.257 -15.754 1.00 0.00 H new ATOM 972 N LYS A 64 14.791 -10.223 -12.808 1.00 0.00 N ATOM 973 CA LYS A 64 15.523 -10.927 -11.761 1.00 0.00 C ATOM 974 C LYS A 64 15.313 -10.256 -10.407 1.00 0.00 C ATOM 975 O LYS A 64 15.845 -10.706 -9.392 1.00 0.00 O ATOM 976 CB LYS A 64 17.015 -10.971 -12.095 1.00 0.00 C ATOM 977 CG LYS A 64 17.306 -11.363 -13.533 1.00 0.00 C ATOM 978 CD LYS A 64 18.780 -11.205 -13.868 1.00 0.00 C ATOM 979 CE LYS A 64 18.981 -10.800 -15.320 1.00 0.00 C ATOM 980 NZ LYS A 64 18.465 -11.833 -16.260 1.00 0.00 N ATOM 0 H LYS A 64 15.351 -9.555 -13.337 1.00 0.00 H new ATOM 0 HA LYS A 64 15.140 -11.946 -11.706 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.451 -9.992 -11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.507 -11.679 -11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.004 -12.397 -13.697 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.711 -10.746 -14.207 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.224 -10.454 -13.215 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.301 -12.143 -13.675 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.474 -9.853 -15.507 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.042 -10.636 -15.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.725 -11.577 -17.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.879 -12.757 -16.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.429 -11.887 -16.182 1.00 0.00 H new ATOM 994 N TYR A 65 14.535 -9.180 -10.399 1.00 0.00 N ATOM 995 CA TYR A 65 14.256 -8.447 -9.170 1.00 0.00 C ATOM 996 C TYR A 65 12.759 -8.423 -8.878 1.00 0.00 C ATOM 997 O TYR A 65 12.196 -7.380 -8.545 1.00 0.00 O ATOM 998 CB TYR A 65 14.790 -7.017 -9.271 1.00 0.00 C ATOM 999 CG TYR A 65 16.181 -6.931 -9.858 1.00 0.00 C ATOM 1000 CD1 TYR A 65 17.141 -7.892 -9.566 1.00 0.00 C ATOM 1001 CD2 TYR A 65 16.535 -5.888 -10.705 1.00 0.00 C ATOM 1002 CE1 TYR A 65 18.413 -7.817 -10.100 1.00 0.00 C ATOM 1003 CE2 TYR A 65 17.804 -5.805 -11.244 1.00 0.00 C ATOM 1004 CZ TYR A 65 18.740 -6.771 -10.938 1.00 0.00 C ATOM 1005 OH TYR A 65 20.005 -6.693 -11.473 1.00 0.00 O ATOM 0 H TYR A 65 14.086 -8.796 -11.230 1.00 0.00 H new ATOM 0 HA TYR A 65 14.760 -8.959 -8.350 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.109 -6.426 -9.883 1.00 0.00 H new ATOM 0 HB3 TYR A 65 14.796 -6.569 -8.277 1.00 0.00 H new ATOM 0 HD1 TYR A 65 16.888 -8.712 -8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 65 15.805 -5.129 -10.946 1.00 0.00 H new ATOM 0 HE1 TYR A 65 19.147 -8.573 -9.863 1.00 0.00 H new ATOM 0 HE2 TYR A 65 18.062 -4.988 -11.902 1.00 0.00 H new ATOM 0 HH TYR A 65 20.071 -5.898 -12.042 1.00 0.00 H new ATOM 1015 N PHE A 66 12.119 -9.581 -9.004 1.00 0.00 N ATOM 1016 CA PHE A 66 10.687 -9.694 -8.754 1.00 0.00 C ATOM 1017 C PHE A 66 10.415 -10.037 -7.292 1.00 0.00 C ATOM 1018 O PHE A 66 9.857 -9.230 -6.547 1.00 0.00 O ATOM 1019 CB PHE A 66 10.072 -10.762 -9.662 1.00 0.00 C ATOM 1020 CG PHE A 66 8.580 -10.871 -9.534 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.011 -11.596 -8.499 1.00 0.00 C ATOM 1022 CD2 PHE A 66 7.745 -10.248 -10.448 1.00 0.00 C ATOM 1023 CE1 PHE A 66 6.638 -11.699 -8.379 1.00 0.00 C ATOM 1024 CE2 PHE A 66 6.371 -10.346 -10.333 1.00 0.00 C ATOM 1025 CZ PHE A 66 5.817 -11.072 -9.297 1.00 0.00 C ATOM 0 H PHE A 66 12.570 -10.454 -9.278 1.00 0.00 H new ATOM 0 HA PHE A 66 10.228 -8.730 -8.975 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.324 -10.536 -10.698 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.520 -11.728 -9.429 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.648 -12.086 -7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.173 -9.679 -11.260 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.207 -12.269 -7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.732 -9.856 -11.052 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.744 -11.150 -9.204 1.00 0.00 H new ATOM 1035 N LEU A 67 10.813 -11.238 -6.888 1.00 0.00 N ATOM 1036 CA LEU A 67 10.613 -11.689 -5.516 1.00 0.00 C ATOM 1037 C LEU A 67 11.206 -10.694 -4.523 1.00 0.00 C ATOM 1038 O LEU A 67 10.771 -10.615 -3.375 1.00 0.00 O ATOM 1039 CB LEU A 67 11.247 -13.067 -5.313 1.00 0.00 C ATOM 1040 CG LEU A 67 10.981 -14.096 -6.413 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.620 -15.430 -6.060 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.486 -14.261 -6.639 1.00 0.00 C ATOM 0 H LEU A 67 11.276 -11.917 -7.492 1.00 0.00 H new ATOM 0 HA LEU A 67 9.540 -11.759 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.325 -12.938 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.889 -13.474 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 67 11.429 -13.735 -7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.421 -16.150 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.697 -15.300 -5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.201 -15.797 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.316 -14.997 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.014 -14.599 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.055 -13.305 -6.938 1.00 0.00 H new ATOM 1054 N GLN A 68 12.198 -9.934 -4.976 1.00 0.00 N ATOM 1055 CA GLN A 68 12.848 -8.942 -4.128 1.00 0.00 C ATOM 1056 C GLN A 68 11.834 -7.941 -3.586 1.00 0.00 C ATOM 1057 O GLN A 68 12.093 -7.255 -2.597 1.00 0.00 O ATOM 1058 CB GLN A 68 13.939 -8.209 -4.910 1.00 0.00 C ATOM 1059 CG GLN A 68 15.293 -8.215 -4.218 1.00 0.00 C ATOM 1060 CD GLN A 68 16.439 -8.454 -5.180 1.00 0.00 C ATOM 1061 OE1 GLN A 68 17.410 -7.696 -5.208 1.00 0.00 O ATOM 1062 NE2 GLN A 68 16.334 -9.511 -5.976 1.00 0.00 N ATOM 0 H GLN A 68 12.569 -9.986 -5.925 1.00 0.00 H new ATOM 0 HA GLN A 68 13.303 -9.463 -3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.041 -8.669 -5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.627 -7.177 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.442 -7.261 -3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.301 -8.989 -3.450 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.512 -10.112 -5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.075 -9.722 -6.644 1.00 0.00 H new ATOM 1071 N ARG A 69 10.680 -7.862 -4.239 1.00 0.00 N ATOM 1072 CA ARG A 69 9.627 -6.943 -3.823 1.00 0.00 C ATOM 1073 C ARG A 69 8.760 -7.567 -2.734 1.00 0.00 C ATOM 1074 O ARG A 69 8.635 -7.022 -1.637 1.00 0.00 O ATOM 1075 CB ARG A 69 8.759 -6.552 -5.021 1.00 0.00 C ATOM 1076 CG ARG A 69 9.181 -5.249 -5.680 1.00 0.00 C ATOM 1077 CD ARG A 69 8.795 -4.046 -4.834 1.00 0.00 C ATOM 1078 NE ARG A 69 9.858 -3.664 -3.909 1.00 0.00 N ATOM 1079 CZ ARG A 69 11.019 -3.147 -4.297 1.00 0.00 C ATOM 1080 NH1 ARG A 69 11.264 -2.952 -5.585 1.00 0.00 N ATOM 1081 NH2 ARG A 69 11.937 -2.824 -3.395 1.00 0.00 N ATOM 0 H ARG A 69 10.450 -8.423 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 69 10.099 -6.048 -3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.795 -7.352 -5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.723 -6.465 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.259 -5.253 -5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.715 -5.169 -6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.562 -3.204 -5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.890 -4.274 -4.272 1.00 0.00 H new ATOM 0 HE ARG A 69 9.701 -3.801 -2.911 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.560 -3.199 -6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.156 -2.555 -5.880 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.752 -2.973 -2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.828 -2.427 -3.694 1.00 0.00 H new ATOM 1095 N PHE A 70 8.162 -8.712 -3.045 1.00 0.00 N ATOM 1096 CA PHE A 70 7.304 -9.410 -2.094 1.00 0.00 C ATOM 1097 C PHE A 70 8.130 -10.031 -0.972 1.00 0.00 C ATOM 1098 O PHE A 70 7.998 -9.652 0.192 1.00 0.00 O ATOM 1099 CB PHE A 70 6.494 -10.495 -2.806 1.00 0.00 C ATOM 1100 CG PHE A 70 5.555 -9.955 -3.847 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.364 -9.350 -3.479 1.00 0.00 C ATOM 1102 CD2 PHE A 70 5.863 -10.054 -5.195 1.00 0.00 C ATOM 1103 CE1 PHE A 70 3.499 -8.852 -4.434 1.00 0.00 C ATOM 1104 CE2 PHE A 70 5.001 -9.558 -6.155 1.00 0.00 C ATOM 1105 CZ PHE A 70 3.817 -8.957 -5.774 1.00 0.00 C ATOM 0 H PHE A 70 8.256 -9.177 -3.948 1.00 0.00 H new ATOM 0 HA PHE A 70 6.619 -8.682 -1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.180 -11.199 -3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.921 -11.054 -2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.109 -9.267 -2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.787 -10.524 -5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.575 -8.381 -4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.253 -9.640 -7.202 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.141 -8.570 -6.522 1.00 0.00 H new ATOM 1115 N GLU A 71 8.981 -10.987 -1.330 1.00 0.00 N ATOM 1116 CA GLU A 71 9.828 -11.661 -0.353 1.00 0.00 C ATOM 1117 C GLU A 71 10.663 -10.654 0.431 1.00 0.00 C ATOM 1118 O GLU A 71 10.837 -10.784 1.642 1.00 0.00 O ATOM 1119 CB GLU A 71 10.745 -12.669 -1.049 1.00 0.00 C ATOM 1120 CG GLU A 71 11.709 -13.368 -0.105 1.00 0.00 C ATOM 1121 CD GLU A 71 11.006 -14.304 0.859 1.00 0.00 C ATOM 1122 OE1 GLU A 71 10.193 -15.131 0.396 1.00 0.00 O ATOM 1123 OE2 GLU A 71 11.268 -14.209 2.077 1.00 0.00 O ATOM 0 H GLU A 71 9.102 -11.312 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 71 9.181 -12.191 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.133 -13.419 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.316 -12.155 -1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.437 -13.932 -0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.264 -12.620 0.461 1.00 0.00 H new ATOM 1130 N SER A 72 11.179 -9.649 -0.270 1.00 0.00 N ATOM 1131 CA SER A 72 12.001 -8.621 0.358 1.00 0.00 C ATOM 1132 C SER A 72 13.275 -9.225 0.940 1.00 0.00 C ATOM 1133 O SER A 72 13.953 -8.603 1.757 1.00 0.00 O ATOM 1134 CB SER A 72 11.211 -7.909 1.458 1.00 0.00 C ATOM 1135 OG SER A 72 11.663 -6.577 1.630 1.00 0.00 O ATOM 0 H SER A 72 11.042 -9.525 -1.273 1.00 0.00 H new ATOM 0 HA SER A 72 12.280 -7.896 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.151 -7.907 1.205 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.314 -8.455 2.396 1.00 0.00 H new ATOM 0 HG SER A 72 11.141 -6.143 2.337 1.00 0.00 H new ATOM 1141 N GLY A 73 13.595 -10.442 0.512 1.00 0.00 N ATOM 1142 CA GLY A 73 14.787 -11.111 1.001 1.00 0.00 C ATOM 1143 C GLY A 73 15.618 -11.705 -0.119 1.00 0.00 C ATOM 1144 O GLY A 73 16.845 -11.757 -0.030 1.00 0.00 O ATOM 0 H GLY A 73 13.050 -10.977 -0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.394 -10.401 1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.498 -11.901 1.694 1.00 0.00 H new ATOM 1148 N ALA A 74 14.949 -12.157 -1.175 1.00 0.00 N ATOM 1149 CA ALA A 74 15.634 -12.750 -2.316 1.00 0.00 C ATOM 1150 C ALA A 74 16.727 -11.826 -2.843 1.00 0.00 C ATOM 1151 O ALA A 74 16.860 -10.688 -2.392 1.00 0.00 O ATOM 1152 CB ALA A 74 14.638 -13.075 -3.419 1.00 0.00 C ATOM 0 H ALA A 74 13.933 -12.124 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 74 16.106 -13.674 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.164 -13.517 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.897 -13.780 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.139 -12.161 -3.740 1.00 0.00 H new ATOM 1158 N ARG A 75 17.507 -12.322 -3.798 1.00 0.00 N ATOM 1159 CA ARG A 75 18.589 -11.541 -4.383 1.00 0.00 C ATOM 1160 C ARG A 75 18.500 -11.545 -5.907 1.00 0.00 C ATOM 1161 O ARG A 75 18.786 -10.541 -6.559 1.00 0.00 O ATOM 1162 CB ARG A 75 19.944 -12.094 -3.939 1.00 0.00 C ATOM 1163 CG ARG A 75 20.006 -13.612 -3.921 1.00 0.00 C ATOM 1164 CD ARG A 75 21.379 -14.120 -4.334 1.00 0.00 C ATOM 1165 NE ARG A 75 21.776 -15.303 -3.576 1.00 0.00 N ATOM 1166 CZ ARG A 75 21.252 -16.509 -3.769 1.00 0.00 C ATOM 1167 NH1 ARG A 75 20.315 -16.689 -4.690 1.00 0.00 N ATOM 1168 NH2 ARG A 75 21.665 -17.537 -3.040 1.00 0.00 N ATOM 0 H ARG A 75 17.409 -13.262 -4.183 1.00 0.00 H new ATOM 0 HA ARG A 75 18.492 -10.513 -4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.718 -11.715 -4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 75 20.171 -11.718 -2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.769 -13.975 -2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 75 19.250 -14.016 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.373 -14.357 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 75 22.117 -13.331 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 75 22.494 -15.198 -2.860 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.995 -15.901 -5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.915 -17.616 -4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 75 22.385 -17.402 -2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 75 21.262 -18.462 -3.189 1.00 0.00 H new ATOM 1182 N VAL A 76 18.102 -12.683 -6.468 1.00 0.00 N ATOM 1183 CA VAL A 76 17.974 -12.818 -7.914 1.00 0.00 C ATOM 1184 C VAL A 76 17.175 -14.064 -8.281 1.00 0.00 C ATOM 1185 O VAL A 76 17.018 -14.976 -7.468 1.00 0.00 O ATOM 1186 CB VAL A 76 19.354 -12.888 -8.595 1.00 0.00 C ATOM 1187 CG1 VAL A 76 19.782 -11.511 -9.078 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.388 -13.474 -7.644 1.00 0.00 C ATOM 0 H VAL A 76 17.863 -13.524 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 76 17.446 -11.933 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 76 19.279 -13.543 -9.463 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.759 -11.581 -9.556 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.053 -11.134 -9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.841 -10.830 -8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.357 -13.516 -8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.463 -12.846 -6.756 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.086 -14.480 -7.353 1.00 0.00 H new ATOM 1198 N LEU A 77 16.672 -14.096 -9.510 1.00 0.00 N ATOM 1199 CA LEU A 77 15.888 -15.231 -9.986 1.00 0.00 C ATOM 1200 C LEU A 77 16.694 -16.074 -10.969 1.00 0.00 C ATOM 1201 O LEU A 77 17.813 -15.717 -11.340 1.00 0.00 O ATOM 1202 CB LEU A 77 14.600 -14.743 -10.651 1.00 0.00 C ATOM 1203 CG LEU A 77 13.442 -14.411 -9.709 1.00 0.00 C ATOM 1204 CD1 LEU A 77 12.896 -13.022 -10.002 1.00 0.00 C ATOM 1205 CD2 LEU A 77 12.342 -15.455 -9.828 1.00 0.00 C ATOM 0 H LEU A 77 16.793 -13.350 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 77 15.633 -15.852 -9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.832 -13.854 -11.237 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.264 -15.508 -11.352 1.00 0.00 H new ATOM 0 HG LEU A 77 13.817 -14.422 -8.686 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.073 -12.804 -9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.686 -12.284 -9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.537 -12.982 -11.030 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.526 -15.203 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.970 -15.476 -10.852 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.741 -16.435 -9.566 1.00 0.00 H new ATOM 1217 N THR A 78 16.116 -17.195 -11.391 1.00 0.00 N ATOM 1218 CA THR A 78 16.779 -18.089 -12.332 1.00 0.00 C ATOM 1219 C THR A 78 16.736 -17.526 -13.748 1.00 0.00 C ATOM 1220 O THR A 78 16.045 -16.543 -14.015 1.00 0.00 O ATOM 1221 CB THR A 78 16.133 -19.487 -12.328 1.00 0.00 C ATOM 1222 OG1 THR A 78 14.765 -19.397 -12.741 1.00 0.00 O ATOM 1223 CG2 THR A 78 16.210 -20.115 -10.945 1.00 0.00 C ATOM 0 H THR A 78 15.190 -17.505 -11.096 1.00 0.00 H new ATOM 0 HA THR A 78 17.817 -18.175 -12.009 1.00 0.00 H new ATOM 0 HB THR A 78 16.682 -20.118 -13.027 1.00 0.00 H new ATOM 0 HG1 THR A 78 14.273 -18.821 -12.119 1.00 0.00 H new ATOM 0 HG21 THR A 78 15.747 -21.102 -10.967 1.00 0.00 H new ATOM 0 HG22 THR A 78 17.254 -20.210 -10.646 1.00 0.00 H new ATOM 0 HG23 THR A 78 15.684 -19.484 -10.229 1.00 0.00 H new ATOM 1231 N ALA A 79 17.479 -18.156 -14.653 1.00 0.00 N ATOM 1232 CA ALA A 79 17.523 -17.719 -16.043 1.00 0.00 C ATOM 1233 C ALA A 79 16.254 -18.122 -16.786 1.00 0.00 C ATOM 1234 O ALA A 79 16.023 -17.693 -17.916 1.00 0.00 O ATOM 1235 CB ALA A 79 18.749 -18.293 -16.737 1.00 0.00 C ATOM 0 H ALA A 79 18.058 -18.970 -14.448 1.00 0.00 H new ATOM 0 HA ALA A 79 17.588 -16.631 -16.055 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.770 -17.959 -17.774 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.649 -17.950 -16.227 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.708 -19.382 -16.707 1.00 0.00 H new ATOM 1241 N SER A 80 15.436 -18.950 -16.144 1.00 0.00 N ATOM 1242 CA SER A 80 14.192 -19.415 -16.746 1.00 0.00 C ATOM 1243 C SER A 80 13.018 -18.545 -16.307 1.00 0.00 C ATOM 1244 O SER A 80 12.293 -17.998 -17.138 1.00 0.00 O ATOM 1245 CB SER A 80 13.931 -20.874 -16.367 1.00 0.00 C ATOM 1246 OG SER A 80 14.738 -21.752 -17.133 1.00 0.00 O ATOM 0 H SER A 80 15.612 -19.313 -15.207 1.00 0.00 H new ATOM 0 HA SER A 80 14.291 -19.341 -17.829 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.135 -21.020 -15.306 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.879 -21.111 -16.525 1.00 0.00 H new ATOM 0 HG SER A 80 14.444 -22.676 -16.989 1.00 0.00 H new ATOM 1252 N GLU A 81 12.837 -18.423 -14.996 1.00 0.00 N ATOM 1253 CA GLU A 81 11.750 -17.622 -14.446 1.00 0.00 C ATOM 1254 C GLU A 81 11.688 -16.254 -15.121 1.00 0.00 C ATOM 1255 O GLU A 81 10.618 -15.794 -15.521 1.00 0.00 O ATOM 1256 CB GLU A 81 11.927 -17.449 -12.936 1.00 0.00 C ATOM 1257 CG GLU A 81 11.661 -18.718 -12.144 1.00 0.00 C ATOM 1258 CD GLU A 81 12.240 -18.664 -10.743 1.00 0.00 C ATOM 1259 OE1 GLU A 81 13.468 -18.474 -10.616 1.00 0.00 O ATOM 1260 OE2 GLU A 81 11.465 -18.810 -9.775 1.00 0.00 O ATOM 0 H GLU A 81 13.429 -18.869 -14.295 1.00 0.00 H new ATOM 0 HA GLU A 81 10.814 -18.146 -14.637 1.00 0.00 H new ATOM 0 HB2 GLU A 81 12.943 -17.111 -12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.255 -16.665 -12.587 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.586 -18.885 -12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.086 -19.569 -12.676 1.00 0.00 H new ATOM 1267 N THR A 82 12.843 -15.608 -15.245 1.00 0.00 N ATOM 1268 CA THR A 82 12.921 -14.294 -15.869 1.00 0.00 C ATOM 1269 C THR A 82 12.654 -14.380 -17.367 1.00 0.00 C ATOM 1270 O THR A 82 11.874 -13.601 -17.916 1.00 0.00 O ATOM 1271 CB THR A 82 14.299 -13.644 -15.641 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.336 -14.530 -16.075 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.499 -13.301 -14.172 1.00 0.00 C ATOM 0 H THR A 82 13.738 -15.974 -14.921 1.00 0.00 H new ATOM 0 HA THR A 82 12.155 -13.676 -15.401 1.00 0.00 H new ATOM 0 HB THR A 82 14.343 -12.723 -16.222 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.536 -15.173 -15.363 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.479 -12.843 -14.035 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.725 -12.603 -13.853 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.437 -14.210 -13.574 1.00 0.00 H new ATOM 1281 N LYS A 83 13.307 -15.332 -18.026 1.00 0.00 N ATOM 1282 CA LYS A 83 13.139 -15.522 -19.462 1.00 0.00 C ATOM 1283 C LYS A 83 11.662 -15.548 -19.838 1.00 0.00 C ATOM 1284 O LYS A 83 11.246 -14.915 -20.809 1.00 0.00 O ATOM 1285 CB LYS A 83 13.813 -16.823 -19.906 1.00 0.00 C ATOM 1286 CG LYS A 83 13.554 -17.175 -21.361 1.00 0.00 C ATOM 1287 CD LYS A 83 14.593 -18.148 -21.892 1.00 0.00 C ATOM 1288 CE LYS A 83 14.508 -19.493 -21.187 1.00 0.00 C ATOM 1289 NZ LYS A 83 15.495 -20.467 -21.730 1.00 0.00 N ATOM 0 H LYS A 83 13.958 -15.984 -17.588 1.00 0.00 H new ATOM 0 HA LYS A 83 13.610 -14.682 -19.973 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.888 -16.738 -19.747 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.461 -17.639 -19.275 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.561 -17.613 -21.459 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.563 -16.267 -21.963 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.448 -18.288 -22.963 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.590 -17.727 -21.757 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.683 -19.355 -20.120 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.501 -19.897 -21.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.405 -21.371 -21.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.313 -20.618 -22.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.457 -20.093 -21.603 1.00 0.00 H new ATOM 1303 N THR A 84 10.870 -16.283 -19.063 1.00 0.00 N ATOM 1304 CA THR A 84 9.439 -16.391 -19.315 1.00 0.00 C ATOM 1305 C THR A 84 8.661 -15.349 -18.520 1.00 0.00 C ATOM 1306 O THR A 84 7.584 -15.631 -17.995 1.00 0.00 O ATOM 1307 CB THR A 84 8.909 -17.793 -18.959 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.517 -17.887 -19.280 1.00 0.00 O ATOM 1309 CG2 THR A 84 9.115 -18.089 -17.481 1.00 0.00 C ATOM 0 H THR A 84 11.197 -16.813 -18.255 1.00 0.00 H new ATOM 0 HA THR A 84 9.292 -16.216 -20.381 1.00 0.00 H new ATOM 0 HB THR A 84 9.466 -18.527 -19.542 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.027 -17.173 -18.821 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.733 -19.084 -17.253 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.178 -18.045 -17.246 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.581 -17.350 -16.884 1.00 0.00 H new ATOM 1317 N PHE A 85 9.212 -14.142 -18.437 1.00 0.00 N ATOM 1318 CA PHE A 85 8.569 -13.057 -17.705 1.00 0.00 C ATOM 1319 C PHE A 85 8.377 -11.836 -18.600 1.00 0.00 C ATOM 1320 O PHE A 85 7.344 -11.167 -18.545 1.00 0.00 O ATOM 1321 CB PHE A 85 9.400 -12.678 -16.478 1.00 0.00 C ATOM 1322 CG PHE A 85 8.641 -11.867 -15.467 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.277 -10.558 -15.742 1.00 0.00 C ATOM 1324 CD2 PHE A 85 8.293 -12.412 -14.242 1.00 0.00 C ATOM 1325 CE1 PHE A 85 7.578 -9.809 -14.814 1.00 0.00 C ATOM 1326 CE2 PHE A 85 7.594 -11.668 -13.311 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.237 -10.364 -13.596 1.00 0.00 C ATOM 0 H PHE A 85 10.102 -13.891 -18.868 1.00 0.00 H new ATOM 0 HA PHE A 85 7.589 -13.404 -17.378 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.766 -13.588 -16.002 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.275 -12.114 -16.802 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.543 -10.118 -16.692 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.571 -13.430 -14.012 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.299 -8.791 -15.041 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.327 -12.106 -12.361 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.693 -9.780 -12.868 1.00 0.00 H new ATOM 1337 N LEU A 86 9.379 -11.552 -19.425 1.00 0.00 N ATOM 1338 CA LEU A 86 9.322 -10.411 -20.332 1.00 0.00 C ATOM 1339 C LEU A 86 9.247 -10.873 -21.784 1.00 0.00 C ATOM 1340 O LEU A 86 8.671 -10.194 -22.633 1.00 0.00 O ATOM 1341 CB LEU A 86 10.546 -9.515 -20.134 1.00 0.00 C ATOM 1342 CG LEU A 86 10.641 -8.295 -21.052 1.00 0.00 C ATOM 1343 CD1 LEU A 86 11.260 -8.679 -22.387 1.00 0.00 C ATOM 1344 CD2 LEU A 86 9.267 -7.674 -21.257 1.00 0.00 C ATOM 0 H LEU A 86 10.240 -12.096 -19.484 1.00 0.00 H new ATOM 0 HA LEU A 86 8.421 -9.842 -20.103 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.554 -9.169 -19.101 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.441 -10.121 -20.274 1.00 0.00 H new ATOM 0 HG LEU A 86 11.284 -7.555 -20.576 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.320 -7.799 -23.027 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.261 -9.077 -22.223 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.643 -9.437 -22.869 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.354 -6.807 -21.913 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.600 -8.407 -21.711 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.862 -7.362 -20.295 1.00 0.00 H new ATOM 1356 N ALA A 87 9.830 -12.035 -22.061 1.00 0.00 N ATOM 1357 CA ALA A 87 9.825 -12.591 -23.408 1.00 0.00 C ATOM 1358 C ALA A 87 8.472 -13.208 -23.742 1.00 0.00 C ATOM 1359 O ALA A 87 8.252 -13.679 -24.858 1.00 0.00 O ATOM 1360 CB ALA A 87 10.931 -13.625 -23.557 1.00 0.00 C ATOM 0 H ALA A 87 10.312 -12.610 -21.370 1.00 0.00 H new ATOM 0 HA ALA A 87 10.007 -11.778 -24.111 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.915 -14.032 -24.568 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.896 -13.155 -23.370 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.775 -14.431 -22.839 1.00 0.00 H new ATOM 1366 N ALA A 88 7.567 -13.203 -22.768 1.00 0.00 N ATOM 1367 CA ALA A 88 6.235 -13.762 -22.960 1.00 0.00 C ATOM 1368 C ALA A 88 5.273 -12.712 -23.505 1.00 0.00 C ATOM 1369 O ALA A 88 4.463 -12.997 -24.387 1.00 0.00 O ATOM 1370 CB ALA A 88 5.709 -14.334 -21.652 1.00 0.00 C ATOM 0 H ALA A 88 7.733 -12.818 -21.838 1.00 0.00 H new ATOM 0 HA ALA A 88 6.307 -14.566 -23.692 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.713 -14.748 -21.810 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.378 -15.121 -21.304 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.658 -13.543 -20.903 1.00 0.00 H new ATOM 1376 N ALA A 89 5.366 -11.497 -22.974 1.00 0.00 N ATOM 1377 CA ALA A 89 4.505 -10.405 -23.409 1.00 0.00 C ATOM 1378 C ALA A 89 5.175 -9.580 -24.502 1.00 0.00 C ATOM 1379 O ALA A 89 4.801 -8.432 -24.743 1.00 0.00 O ATOM 1380 CB ALA A 89 4.138 -9.520 -22.227 1.00 0.00 C ATOM 0 H ALA A 89 6.030 -11.245 -22.242 1.00 0.00 H new ATOM 0 HA ALA A 89 3.594 -10.836 -23.823 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.495 -8.708 -22.566 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.611 -10.112 -21.479 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.045 -9.105 -21.788 1.00 0.00 H new ATOM 1386 N ASP A 90 6.165 -10.171 -25.160 1.00 0.00 N ATOM 1387 CA ASP A 90 6.887 -9.490 -26.229 1.00 0.00 C ATOM 1388 C ASP A 90 6.059 -9.457 -27.509 1.00 0.00 C ATOM 1389 O ASP A 90 6.366 -10.153 -28.478 1.00 0.00 O ATOM 1390 CB ASP A 90 8.226 -10.182 -26.491 1.00 0.00 C ATOM 1391 CG ASP A 90 8.065 -11.658 -26.796 1.00 0.00 C ATOM 1392 OD1 ASP A 90 6.909 -12.120 -26.901 1.00 0.00 O ATOM 1393 OD2 ASP A 90 9.094 -12.352 -26.929 1.00 0.00 O ATOM 0 H ASP A 90 6.487 -11.121 -24.972 1.00 0.00 H new ATOM 0 HA ASP A 90 7.073 -8.464 -25.911 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.726 -9.694 -27.327 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.870 -10.062 -25.620 1.00 0.00 H new ATOM 1398 N HIS A 91 5.006 -8.646 -27.506 1.00 0.00 N ATOM 1399 CA HIS A 91 4.132 -8.523 -28.668 1.00 0.00 C ATOM 1400 C HIS A 91 3.895 -7.057 -29.017 1.00 0.00 C ATOM 1401 O HIS A 91 3.069 -6.738 -29.871 1.00 0.00 O ATOM 1402 CB HIS A 91 2.796 -9.218 -28.403 1.00 0.00 C ATOM 1403 CG HIS A 91 2.769 -10.651 -28.840 1.00 0.00 C ATOM 1404 ND1 HIS A 91 3.341 -11.089 -30.016 1.00 0.00 N ATOM 1405 CD2 HIS A 91 2.237 -11.746 -28.251 1.00 0.00 C ATOM 1406 CE1 HIS A 91 3.160 -12.393 -30.131 1.00 0.00 C ATOM 1407 NE2 HIS A 91 2.492 -12.816 -29.073 1.00 0.00 N ATOM 0 H HIS A 91 4.737 -8.064 -26.712 1.00 0.00 H new ATOM 0 HA HIS A 91 4.623 -9.005 -29.514 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.575 -9.168 -27.337 1.00 0.00 H new ATOM 0 HB3 HIS A 91 2.004 -8.674 -28.919 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.710 -11.774 -27.309 1.00 0.00 H new ATOM 0 HE1 HIS A 91 3.500 -13.008 -30.951 1.00 0.00 H new ATOM 0 HE2 HIS A 91 2.211 -13.780 -28.895 1.00 0.00 H new ATOM 1415 N ASP A 92 4.625 -6.170 -28.350 1.00 0.00 N ATOM 1416 CA ASP A 92 4.495 -4.737 -28.589 1.00 0.00 C ATOM 1417 C ASP A 92 5.198 -4.337 -29.883 1.00 0.00 C ATOM 1418 O ASP A 92 4.892 -3.301 -30.473 1.00 0.00 O ATOM 1419 CB ASP A 92 5.073 -3.947 -27.414 1.00 0.00 C ATOM 1420 CG ASP A 92 3.996 -3.306 -26.562 1.00 0.00 C ATOM 1421 OD1 ASP A 92 2.977 -2.860 -27.130 1.00 0.00 O ATOM 1422 OD2 ASP A 92 4.172 -3.249 -25.326 1.00 0.00 O ATOM 0 H ASP A 92 5.313 -6.418 -27.639 1.00 0.00 H new ATOM 0 HA ASP A 92 3.435 -4.504 -28.685 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.675 -4.612 -26.794 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.741 -3.173 -27.793 1.00 0.00 H new ATOM 1427 N GLY A 93 6.143 -5.164 -30.317 1.00 0.00 N ATOM 1428 CA GLY A 93 6.876 -4.878 -31.537 1.00 0.00 C ATOM 1429 C GLY A 93 8.335 -5.277 -31.444 1.00 0.00 C ATOM 1430 O GLY A 93 8.903 -5.809 -32.398 1.00 0.00 O ATOM 0 H GLY A 93 6.415 -6.027 -29.846 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.410 -5.406 -32.369 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.807 -3.813 -31.757 1.00 0.00 H new ATOM 1434 N ASP A 94 8.945 -5.019 -30.292 1.00 0.00 N ATOM 1435 CA ASP A 94 10.348 -5.354 -30.078 1.00 0.00 C ATOM 1436 C ASP A 94 10.571 -5.879 -28.663 1.00 0.00 C ATOM 1437 O ASP A 94 11.660 -5.747 -28.106 1.00 0.00 O ATOM 1438 CB ASP A 94 11.230 -4.129 -30.326 1.00 0.00 C ATOM 1439 CG ASP A 94 12.694 -4.492 -30.480 1.00 0.00 C ATOM 1440 OD1 ASP A 94 13.000 -5.400 -31.281 1.00 0.00 O ATOM 1441 OD2 ASP A 94 13.535 -3.868 -29.799 1.00 0.00 O ATOM 0 H ASP A 94 8.490 -4.579 -29.492 1.00 0.00 H new ATOM 0 HA ASP A 94 10.621 -6.138 -30.784 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.889 -3.616 -31.225 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.117 -3.430 -29.497 1.00 0.00 H new ATOM 1446 N GLY A 95 9.531 -6.474 -28.087 1.00 0.00 N ATOM 1447 CA GLY A 95 9.634 -7.009 -26.742 1.00 0.00 C ATOM 1448 C GLY A 95 9.660 -5.922 -25.686 1.00 0.00 C ATOM 1449 O GLY A 95 10.147 -6.135 -24.576 1.00 0.00 O ATOM 0 H GLY A 95 8.619 -6.595 -28.528 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.791 -7.674 -26.553 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.539 -7.611 -26.662 1.00 0.00 H new ATOM 1453 N LYS A 96 9.137 -4.751 -26.032 1.00 0.00 N ATOM 1454 CA LYS A 96 9.102 -3.624 -25.107 1.00 0.00 C ATOM 1455 C LYS A 96 7.687 -3.391 -24.587 1.00 0.00 C ATOM 1456 O LYS A 96 6.822 -2.902 -25.314 1.00 0.00 O ATOM 1457 CB LYS A 96 9.620 -2.358 -25.793 1.00 0.00 C ATOM 1458 CG LYS A 96 9.075 -2.160 -27.197 1.00 0.00 C ATOM 1459 CD LYS A 96 8.821 -0.692 -27.495 1.00 0.00 C ATOM 1460 CE LYS A 96 7.867 -0.518 -28.666 1.00 0.00 C ATOM 1461 NZ LYS A 96 7.308 0.861 -28.727 1.00 0.00 N ATOM 0 H LYS A 96 8.731 -4.557 -26.947 1.00 0.00 H new ATOM 0 HA LYS A 96 9.747 -3.861 -24.261 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.357 -1.492 -25.185 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.708 -2.398 -25.837 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.782 -2.562 -27.923 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.147 -2.721 -27.311 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.406 -0.207 -26.611 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.766 -0.196 -27.717 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.390 -0.739 -29.596 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.052 -1.237 -28.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.663 0.938 -29.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.787 1.063 -27.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.084 1.546 -28.835 1.00 0.00 H new ATOM 1475 N ILE A 97 7.459 -3.743 -23.326 1.00 0.00 N ATOM 1476 CA ILE A 97 6.150 -3.569 -22.709 1.00 0.00 C ATOM 1477 C ILE A 97 5.684 -2.120 -22.808 1.00 0.00 C ATOM 1478 O ILE A 97 6.495 -1.194 -22.798 1.00 0.00 O ATOM 1479 CB ILE A 97 6.165 -3.992 -21.228 1.00 0.00 C ATOM 1480 CG1 ILE A 97 6.728 -5.407 -21.086 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.764 -3.912 -20.641 1.00 0.00 C ATOM 1482 CD1 ILE A 97 5.983 -6.440 -21.902 1.00 0.00 C ATOM 0 H ILE A 97 8.164 -4.150 -22.712 1.00 0.00 H new ATOM 0 HA ILE A 97 5.456 -4.209 -23.254 1.00 0.00 H new ATOM 0 HB ILE A 97 6.809 -3.308 -20.676 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.775 -5.404 -21.388 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.700 -5.697 -20.036 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.790 -4.214 -19.594 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.397 -2.888 -20.714 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.100 -4.576 -21.193 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.438 -7.419 -21.752 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.941 -6.472 -21.585 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.033 -6.175 -22.958 1.00 0.00 H new ATOM 1494 N GLY A 98 4.372 -1.931 -22.901 1.00 0.00 N ATOM 1495 CA GLY A 98 3.820 -0.592 -22.998 1.00 0.00 C ATOM 1496 C GLY A 98 2.471 -0.471 -22.317 1.00 0.00 C ATOM 1497 O GLY A 98 1.520 0.052 -22.898 1.00 0.00 O ATOM 0 H GLY A 98 3.681 -2.681 -22.911 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.515 0.118 -22.549 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.719 -0.319 -24.048 1.00 0.00 H new ATOM 1501 N ALA A 99 2.387 -0.955 -21.082 1.00 0.00 N ATOM 1502 CA ALA A 99 1.145 -0.898 -20.322 1.00 0.00 C ATOM 1503 C ALA A 99 -0.011 -1.500 -21.112 1.00 0.00 C ATOM 1504 O ALA A 99 -1.166 -1.118 -20.928 1.00 0.00 O ATOM 1505 CB ALA A 99 0.830 0.539 -19.933 1.00 0.00 C ATOM 0 H ALA A 99 3.165 -1.391 -20.587 1.00 0.00 H new ATOM 0 HA ALA A 99 1.276 -1.488 -19.415 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.100 0.567 -19.366 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.640 0.936 -19.321 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.724 1.145 -20.833 1.00 0.00 H new ATOM 1511 N GLU A 100 0.308 -2.442 -21.994 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.706 -3.095 -22.814 1.00 0.00 C ATOM 1513 C GLU A 100 -0.411 -4.585 -22.959 1.00 0.00 C ATOM 1514 O GLU A 100 -1.323 -5.411 -22.969 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.776 -2.441 -24.195 1.00 0.00 C ATOM 1516 CG GLU A 100 0.534 -2.496 -24.962 1.00 0.00 C ATOM 1517 CD GLU A 100 0.592 -1.488 -26.093 1.00 0.00 C ATOM 1518 OE1 GLU A 100 -0.052 -1.729 -27.136 1.00 0.00 O ATOM 1519 OE2 GLU A 100 1.280 -0.458 -25.936 1.00 0.00 O ATOM 0 H GLU A 100 1.260 -2.770 -22.159 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.669 -2.979 -22.316 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.552 -2.933 -24.782 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.076 -1.400 -24.080 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.360 -2.313 -24.275 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.672 -3.499 -25.367 1.00 0.00 H new ATOM 1526 N GLU A 101 0.871 -4.921 -23.073 1.00 0.00 N ATOM 1527 CA GLU A 101 1.286 -6.311 -23.220 1.00 0.00 C ATOM 1528 C GLU A 101 1.080 -7.080 -21.918 1.00 0.00 C ATOM 1529 O GLU A 101 0.285 -8.019 -21.858 1.00 0.00 O ATOM 1530 CB GLU A 101 2.754 -6.386 -23.643 1.00 0.00 C ATOM 1531 CG GLU A 101 2.970 -6.179 -25.133 1.00 0.00 C ATOM 1532 CD GLU A 101 2.117 -7.104 -25.979 1.00 0.00 C ATOM 1533 OE1 GLU A 101 1.727 -8.178 -25.475 1.00 0.00 O ATOM 1534 OE2 GLU A 101 1.840 -6.754 -27.146 1.00 0.00 O ATOM 0 H GLU A 101 1.639 -4.250 -23.066 1.00 0.00 H new ATOM 0 HA GLU A 101 0.669 -6.768 -23.994 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.320 -5.633 -23.094 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.156 -7.358 -23.358 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.742 -5.144 -25.389 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.021 -6.342 -25.370 1.00 0.00 H new ATOM 1541 N PHE A 102 1.803 -6.676 -20.879 1.00 0.00 N ATOM 1542 CA PHE A 102 1.701 -7.328 -19.578 1.00 0.00 C ATOM 1543 C PHE A 102 0.244 -7.451 -19.144 1.00 0.00 C ATOM 1544 O PHE A 102 -0.205 -8.524 -18.741 1.00 0.00 O ATOM 1545 CB PHE A 102 2.494 -6.546 -18.529 1.00 0.00 C ATOM 1546 CG PHE A 102 2.972 -7.393 -17.385 1.00 0.00 C ATOM 1547 CD1 PHE A 102 2.182 -7.574 -16.261 1.00 0.00 C ATOM 1548 CD2 PHE A 102 4.213 -8.008 -17.432 1.00 0.00 C ATOM 1549 CE1 PHE A 102 2.620 -8.352 -15.207 1.00 0.00 C ATOM 1550 CE2 PHE A 102 4.657 -8.788 -16.381 1.00 0.00 C ATOM 1551 CZ PHE A 102 3.859 -8.961 -15.267 1.00 0.00 C ATOM 0 H PHE A 102 2.465 -5.901 -20.912 1.00 0.00 H new ATOM 0 HA PHE A 102 2.120 -8.330 -19.668 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.354 -6.079 -19.009 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.871 -5.741 -18.139 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.212 -7.101 -16.208 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.841 -7.876 -18.301 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.995 -8.484 -14.337 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.626 -9.261 -16.431 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.203 -9.571 -14.445 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.488 -6.345 -19.228 1.00 0.00 N ATOM 1562 CA GLN A 103 -1.894 -6.329 -18.842 1.00 0.00 C ATOM 1563 C GLN A 103 -2.660 -7.454 -19.531 1.00 0.00 C ATOM 1564 O GLN A 103 -3.524 -8.088 -18.927 1.00 0.00 O ATOM 1565 CB GLN A 103 -2.525 -4.979 -19.190 1.00 0.00 C ATOM 1566 CG GLN A 103 -2.260 -3.899 -18.154 1.00 0.00 C ATOM 1567 CD GLN A 103 -0.781 -3.687 -17.897 1.00 0.00 C ATOM 1568 OE1 GLN A 103 -0.333 -3.675 -16.750 1.00 0.00 O ATOM 1569 NE2 GLN A 103 -0.012 -3.518 -18.967 1.00 0.00 N ATOM 0 H GLN A 103 -0.131 -5.449 -19.560 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.951 -6.482 -17.764 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.143 -4.647 -20.155 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.602 -5.108 -19.301 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.704 -2.962 -18.490 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.752 -4.169 -17.220 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.425 -3.535 -19.900 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.991 -3.371 -18.856 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.338 -7.694 -20.798 1.00 0.00 N ATOM 1579 CA GLU A 104 -2.998 -8.742 -21.568 1.00 0.00 C ATOM 1580 C GLU A 104 -2.446 -10.117 -21.200 1.00 0.00 C ATOM 1581 O GLU A 104 -3.130 -11.129 -21.341 1.00 0.00 O ATOM 1582 CB GLU A 104 -2.820 -8.493 -23.067 1.00 0.00 C ATOM 1583 CG GLU A 104 -3.865 -7.561 -23.658 1.00 0.00 C ATOM 1584 CD GLU A 104 -5.190 -8.255 -23.908 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -5.318 -8.929 -24.951 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -6.098 -8.124 -23.061 1.00 0.00 O ATOM 0 H GLU A 104 -1.625 -7.178 -21.313 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.061 -8.720 -21.327 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.830 -8.072 -23.242 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.858 -9.447 -23.592 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.021 -6.721 -22.982 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.491 -7.150 -24.596 1.00 0.00 H new ATOM 1593 N MET A 105 -1.203 -10.142 -20.730 1.00 0.00 N ATOM 1594 CA MET A 105 -0.559 -11.392 -20.342 1.00 0.00 C ATOM 1595 C MET A 105 -1.210 -11.973 -19.091 1.00 0.00 C ATOM 1596 O MET A 105 -1.502 -13.168 -19.029 1.00 0.00 O ATOM 1597 CB MET A 105 0.934 -11.166 -20.096 1.00 0.00 C ATOM 1598 CG MET A 105 1.621 -12.337 -19.412 1.00 0.00 C ATOM 1599 SD MET A 105 3.355 -12.495 -19.880 1.00 0.00 S ATOM 1600 CE MET A 105 4.083 -11.154 -18.942 1.00 0.00 C ATOM 0 H MET A 105 -0.622 -9.312 -20.609 1.00 0.00 H new ATOM 0 HA MET A 105 -0.682 -12.104 -21.158 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.426 -10.973 -21.049 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.062 -10.273 -19.485 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.550 -12.214 -18.331 1.00 0.00 H new ATOM 0 HG3 MET A 105 1.096 -13.258 -19.663 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.828 -10.645 -19.554 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.305 -10.447 -18.654 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.560 -11.553 -18.047 1.00 0.00 H new ATOM 1610 N VAL A 106 -1.435 -11.122 -18.096 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.052 -11.551 -16.847 1.00 0.00 C ATOM 1612 C VAL A 106 -3.565 -11.673 -16.995 1.00 0.00 C ATOM 1613 O VAL A 106 -4.140 -12.730 -16.738 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.737 -10.573 -15.699 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -2.325 -11.078 -14.391 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -0.235 -10.367 -15.574 1.00 0.00 C ATOM 0 H VAL A 106 -1.199 -10.130 -18.131 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.633 -12.528 -16.607 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.195 -9.611 -15.927 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.092 -10.374 -13.592 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.407 -11.170 -14.490 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.898 -12.052 -14.152 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.029 -9.674 -14.759 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.247 -11.322 -15.368 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.155 -9.957 -16.506 1.00 0.00 H new ATOM 1626 N GLN A 107 -4.203 -10.583 -17.410 1.00 0.00 N ATOM 1627 CA GLN A 107 -5.649 -10.568 -17.592 1.00 0.00 C ATOM 1628 C GLN A 107 -6.072 -11.552 -18.679 1.00 0.00 C ATOM 1629 O GLN A 107 -7.219 -11.996 -18.716 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.125 -9.159 -17.950 1.00 0.00 C ATOM 1631 CG GLN A 107 -5.623 -8.087 -16.996 1.00 0.00 C ATOM 1632 CD GLN A 107 -5.726 -6.692 -17.581 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -4.817 -5.875 -17.429 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -6.836 -6.412 -18.254 1.00 0.00 N ATOM 0 H GLN A 107 -3.741 -9.700 -17.626 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.111 -10.872 -16.653 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.794 -8.918 -18.960 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.215 -9.144 -17.959 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.197 -8.132 -16.070 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.584 -8.293 -16.738 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.563 -7.120 -18.355 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.961 -5.489 -18.670 1.00 0.00 H new ATOM 1643 N SER A 108 -5.137 -11.887 -19.562 1.00 0.00 N ATOM 1644 CA SER A 108 -5.413 -12.815 -20.652 1.00 0.00 C ATOM 1645 C SER A 108 -4.196 -13.687 -20.946 1.00 0.00 C ATOM 1646 O SER A 108 -4.329 -14.851 -21.319 1.00 0.00 O ATOM 1647 CB SER A 108 -5.821 -12.048 -21.912 1.00 0.00 C ATOM 1648 OG SER A 108 -5.378 -12.715 -23.081 1.00 0.00 O ATOM 0 H SER A 108 -4.182 -11.530 -19.544 1.00 0.00 H new ATOM 0 HA SER A 108 -6.235 -13.461 -20.346 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.905 -11.939 -21.940 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.401 -11.043 -21.882 1.00 0.00 H new ATOM 0 HG SER A 108 -5.652 -12.206 -23.872 1.00 0.00 H new TER 1654 SER A 108