USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 961 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 85 GLN : amide:sc= 1.98 K(o=3.2,f=-0.78!) USER MOD Set 1.2: A 125 SER OG : rot 40:sc= 1.17 USER MOD Set 2.1: A 107 SER OG : rot -59:sc= 1.4 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.647 K(o=2,f=0.48) USER MOD Set 3.1: A 99 MET CE :methyl -138:sc= -0.0432 (180deg=-0.113) USER MOD Set 3.2: A 102 GLN : amide:sc= 0.843 K(o=0.8,f=-0.1) USER MOD Set 4.1: A 77 ASN : amide:sc= 1.01 K(o=1.2,f=-0.43) USER MOD Set 4.2: A 82 HIS : no HE2:sc= 0.141 K(o=1.2,f=-2.3!) USER MOD Set 5.1: A 56 ASN : amide:sc= 1.02 K(o=2.2,f=0.4) USER MOD Set 5.2: A 57 SER OG : rot -64:sc= 1.22 USER MOD Set 6.1: A 40 SER OG : rot 180:sc= 0.806 USER MOD Set 6.2: A 55 SER OG : rot -106:sc= 0.889 USER MOD Set 7.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.0121) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.00907) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 6 GLN : amide:sc= 2.03 K(o=2,f=-4.1!) USER MOD Single : A 9 LYS NZ :NH3+ -113:sc= 0.428 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= 0.042 K(o=0.042,f=-0.6) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.0288 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.429 X(o=-0.43,f=-0.49) USER MOD Single : A 42 TYR OH : rot -6:sc= 1.08 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -150:sc= 1.23 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 91:sc= 0.0745 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 159:sc= 0.983 USER MOD Single : A 78 ASN : amide:sc= 1.16 K(o=1.2,f=-5.2!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 92:sc= 1.25 USER MOD Single : A 95 SER OG : rot 79:sc= 0.858 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.09) USER MOD Single : A 104 MET CE :methyl -161:sc= 0 (180deg=-0.0821) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 CYS SG : rot -22:sc= 0.396 USER MOD Single : A 115 HIS : no HD1:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 118 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 119 GLN : amide:sc= 0.571 K(o=0.57,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.363 -17.054 -1.641 1.00 0.00 N ATOM 2 CA MET A 1 11.201 -16.786 -2.541 1.00 0.00 C ATOM 3 C MET A 1 10.409 -15.560 -2.055 1.00 0.00 C ATOM 4 O MET A 1 10.682 -14.453 -2.518 1.00 0.00 O ATOM 5 CB MET A 1 10.303 -18.031 -2.765 1.00 0.00 C ATOM 6 CG MET A 1 10.981 -19.121 -3.610 1.00 0.00 C ATOM 7 SD MET A 1 9.981 -20.613 -3.904 1.00 0.00 S ATOM 8 CE MET A 1 8.739 -19.973 -5.066 1.00 0.00 C ATOM 0 H1 MET A 1 12.923 -17.842 -2.023 1.00 0.00 H new ATOM 0 H2 MET A 1 12.958 -16.203 -1.580 1.00 0.00 H new ATOM 0 H3 MET A 1 12.017 -17.303 -0.692 1.00 0.00 H new ATOM 0 HA MET A 1 11.603 -16.551 -3.526 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.026 -18.450 -1.798 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.380 -17.722 -3.255 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.255 -18.692 -4.574 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.907 -19.416 -3.117 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.084 -20.785 -5.382 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.148 -19.199 -4.577 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.239 -19.551 -5.937 1.00 0.00 H new ATOM 20 N ALA A 2 9.452 -15.719 -1.130 1.00 0.00 N ATOM 21 CA ALA A 2 8.671 -14.617 -0.550 1.00 0.00 C ATOM 22 C ALA A 2 9.471 -13.799 0.487 1.00 0.00 C ATOM 23 O ALA A 2 10.514 -14.236 0.980 1.00 0.00 O ATOM 24 CB ALA A 2 7.389 -15.208 0.059 1.00 0.00 C ATOM 0 H ALA A 2 9.194 -16.633 -0.757 1.00 0.00 H new ATOM 0 HA ALA A 2 8.418 -13.909 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.792 -14.408 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.813 -15.707 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.653 -15.929 0.833 1.00 0.00 H new ATOM 30 N SER A 3 8.972 -12.614 0.843 1.00 0.00 N ATOM 31 CA SER A 3 9.604 -11.719 1.832 1.00 0.00 C ATOM 32 C SER A 3 9.589 -12.303 3.269 1.00 0.00 C ATOM 33 O SER A 3 8.620 -12.977 3.642 1.00 0.00 O ATOM 34 CB SER A 3 8.900 -10.350 1.825 1.00 0.00 C ATOM 35 OG SER A 3 8.914 -9.766 0.528 1.00 0.00 O ATOM 0 H SER A 3 8.108 -12.238 0.452 1.00 0.00 H new ATOM 0 HA SER A 3 10.648 -11.610 1.538 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.870 -10.467 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.393 -9.682 2.532 1.00 0.00 H new ATOM 0 HG SER A 3 8.458 -8.899 0.555 1.00 0.00 H new ATOM 41 N PRO A 4 10.621 -12.029 4.100 1.00 0.00 N ATOM 42 CA PRO A 4 10.726 -12.567 5.458 1.00 0.00 C ATOM 43 C PRO A 4 9.827 -11.848 6.479 1.00 0.00 C ATOM 44 O PRO A 4 9.558 -12.407 7.541 1.00 0.00 O ATOM 45 CB PRO A 4 12.205 -12.412 5.827 1.00 0.00 C ATOM 46 CG PRO A 4 12.629 -11.161 5.061 1.00 0.00 C ATOM 47 CD PRO A 4 11.826 -11.275 3.765 1.00 0.00 C ATOM 0 HA PRO A 4 10.384 -13.602 5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.341 -12.291 6.902 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.788 -13.283 5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.388 -10.250 5.608 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.702 -11.145 4.873 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.573 -10.289 3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.402 -11.785 2.993 1.00 0.00 H new ATOM 55 N HIS A 5 9.354 -10.629 6.182 1.00 0.00 N ATOM 56 CA HIS A 5 8.523 -9.802 7.065 1.00 0.00 C ATOM 57 C HIS A 5 7.727 -8.745 6.258 1.00 0.00 C ATOM 58 O HIS A 5 8.015 -8.508 5.078 1.00 0.00 O ATOM 59 CB HIS A 5 9.435 -9.157 8.132 1.00 0.00 C ATOM 60 CG HIS A 5 8.689 -8.507 9.269 1.00 0.00 C ATOM 61 ND1 HIS A 5 8.600 -7.157 9.528 1.00 0.00 N ATOM 62 CD2 HIS A 5 7.962 -9.151 10.236 1.00 0.00 C ATOM 63 CE1 HIS A 5 7.831 -6.993 10.618 1.00 0.00 C ATOM 64 NE2 HIS A 5 7.416 -8.185 11.092 1.00 0.00 N ATOM 0 H HIS A 5 9.547 -10.177 5.288 1.00 0.00 H new ATOM 0 HA HIS A 5 7.779 -10.422 7.564 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.099 -9.921 8.537 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.066 -8.409 7.651 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.832 -10.220 10.323 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.580 -6.037 11.054 1.00 0.00 H new ATOM 0 HE2 HIS A 5 6.825 -8.350 11.907 1.00 0.00 H new ATOM 72 N GLN A 6 6.739 -8.095 6.884 1.00 0.00 N ATOM 73 CA GLN A 6 5.857 -7.096 6.265 1.00 0.00 C ATOM 74 C GLN A 6 5.338 -6.128 7.345 1.00 0.00 C ATOM 75 O GLN A 6 4.912 -6.566 8.413 1.00 0.00 O ATOM 76 CB GLN A 6 4.715 -7.841 5.546 1.00 0.00 C ATOM 77 CG GLN A 6 3.643 -6.916 4.943 1.00 0.00 C ATOM 78 CD GLN A 6 2.600 -7.694 4.137 1.00 0.00 C ATOM 79 OE1 GLN A 6 2.407 -7.477 2.947 1.00 0.00 O ATOM 80 NE2 GLN A 6 1.879 -8.617 4.739 1.00 0.00 N ATOM 0 H GLN A 6 6.523 -8.255 7.868 1.00 0.00 H new ATOM 0 HA GLN A 6 6.393 -6.496 5.529 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.140 -8.454 4.751 1.00 0.00 H new ATOM 0 HB3 GLN A 6 4.238 -8.521 6.252 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.147 -6.367 5.743 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.122 -6.178 4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.025 -8.812 5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.175 -9.136 4.215 1.00 0.00 H new ATOM 89 N GLU A 7 5.368 -4.818 7.076 1.00 0.00 N ATOM 90 CA GLU A 7 5.114 -3.765 8.070 1.00 0.00 C ATOM 91 C GLU A 7 3.886 -2.916 7.696 1.00 0.00 C ATOM 92 O GLU A 7 3.973 -2.118 6.752 1.00 0.00 O ATOM 93 CB GLU A 7 6.346 -2.846 8.191 1.00 0.00 C ATOM 94 CG GLU A 7 7.544 -3.545 8.844 1.00 0.00 C ATOM 95 CD GLU A 7 8.771 -2.622 8.868 1.00 0.00 C ATOM 96 OE1 GLU A 7 8.904 -1.811 9.816 1.00 0.00 O ATOM 97 OE2 GLU A 7 9.617 -2.708 7.946 1.00 0.00 O ATOM 0 H GLU A 7 5.573 -4.452 6.146 1.00 0.00 H new ATOM 0 HA GLU A 7 4.917 -4.254 9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.631 -2.496 7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.081 -1.965 8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.287 -3.841 9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.781 -4.457 8.296 1.00 0.00 H new ATOM 104 N PRO A 8 2.755 -3.049 8.424 1.00 0.00 N ATOM 105 CA PRO A 8 1.616 -2.145 8.310 1.00 0.00 C ATOM 106 C PRO A 8 1.975 -0.732 8.785 1.00 0.00 C ATOM 107 O PRO A 8 2.898 -0.545 9.582 1.00 0.00 O ATOM 108 CB PRO A 8 0.506 -2.744 9.182 1.00 0.00 C ATOM 109 CG PRO A 8 0.923 -4.196 9.394 1.00 0.00 C ATOM 110 CD PRO A 8 2.447 -4.118 9.362 1.00 0.00 C ATOM 0 HA PRO A 8 1.300 -2.048 7.271 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.418 -2.214 10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.464 -2.678 8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.558 -4.587 10.344 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.535 -4.847 8.611 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.851 -3.902 10.351 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.883 -5.063 9.039 1.00 0.00 H new ATOM 118 N LYS A 9 1.234 0.274 8.310 1.00 0.00 N ATOM 119 CA LYS A 9 1.463 1.687 8.655 1.00 0.00 C ATOM 120 C LYS A 9 0.489 2.171 9.743 1.00 0.00 C ATOM 121 O LYS A 9 -0.685 1.785 9.723 1.00 0.00 O ATOM 122 CB LYS A 9 1.379 2.546 7.376 1.00 0.00 C ATOM 123 CG LYS A 9 2.719 2.670 6.628 1.00 0.00 C ATOM 124 CD LYS A 9 3.469 1.339 6.466 1.00 0.00 C ATOM 125 CE LYS A 9 4.649 1.497 5.496 1.00 0.00 C ATOM 126 NZ LYS A 9 5.391 0.219 5.327 1.00 0.00 N ATOM 0 H LYS A 9 0.452 0.133 7.670 1.00 0.00 H new ATOM 0 HA LYS A 9 2.463 1.792 9.077 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.637 2.113 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.026 3.543 7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.535 3.094 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.358 3.373 7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.832 1.000 7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.787 0.574 6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.282 1.837 4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.326 2.266 5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.343 0.314 5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.881 -0.546 5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.469 -0.006 4.315 1.00 0.00 H new ATOM 140 N PRO A 10 0.951 3.008 10.696 1.00 0.00 N ATOM 141 CA PRO A 10 0.141 3.410 11.835 1.00 0.00 C ATOM 142 C PRO A 10 -1.002 4.317 11.372 1.00 0.00 C ATOM 143 O PRO A 10 -0.801 5.260 10.606 1.00 0.00 O ATOM 144 CB PRO A 10 1.111 4.038 12.842 1.00 0.00 C ATOM 145 CG PRO A 10 2.187 4.628 11.931 1.00 0.00 C ATOM 146 CD PRO A 10 2.281 3.593 10.809 1.00 0.00 C ATOM 0 HA PRO A 10 -0.366 2.579 12.326 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.628 4.803 13.450 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.521 3.297 13.529 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.904 5.610 11.553 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.137 4.748 12.452 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.584 4.059 9.871 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.025 2.831 11.041 1.00 0.00 H new ATOM 154 N GLY A 11 -2.217 3.971 11.808 1.00 0.00 N ATOM 155 CA GLY A 11 -3.469 4.592 11.372 1.00 0.00 C ATOM 156 C GLY A 11 -4.076 3.974 10.116 1.00 0.00 C ATOM 157 O GLY A 11 -5.014 4.557 9.576 1.00 0.00 O ATOM 0 H GLY A 11 -2.359 3.230 12.494 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.195 4.525 12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.291 5.652 11.191 1.00 0.00 H new ATOM 161 N ASP A 12 -3.551 2.853 9.612 1.00 0.00 N ATOM 162 CA ASP A 12 -4.049 2.182 8.401 1.00 0.00 C ATOM 163 C ASP A 12 -4.592 0.758 8.652 1.00 0.00 C ATOM 164 O ASP A 12 -4.265 0.090 9.638 1.00 0.00 O ATOM 165 CB ASP A 12 -2.988 2.229 7.286 1.00 0.00 C ATOM 166 CG ASP A 12 -3.604 2.504 5.900 1.00 0.00 C ATOM 167 OD1 ASP A 12 -4.804 2.201 5.695 1.00 0.00 O ATOM 168 OD2 ASP A 12 -2.883 3.064 5.043 1.00 0.00 O ATOM 0 H ASP A 12 -2.756 2.377 10.038 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.920 2.743 8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.257 3.004 7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.450 1.281 7.260 1.00 0.00 H new ATOM 173 N LEU A 13 -5.450 0.317 7.728 1.00 0.00 N ATOM 174 CA LEU A 13 -6.294 -0.879 7.820 1.00 0.00 C ATOM 175 C LEU A 13 -5.662 -2.119 7.195 1.00 0.00 C ATOM 176 O LEU A 13 -5.291 -2.123 6.025 1.00 0.00 O ATOM 177 CB LEU A 13 -7.648 -0.589 7.146 1.00 0.00 C ATOM 178 CG LEU A 13 -8.353 0.662 7.691 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.619 0.952 6.881 1.00 0.00 C ATOM 180 CD2 LEU A 13 -8.721 0.488 9.172 1.00 0.00 C ATOM 0 H LEU A 13 -5.582 0.812 6.846 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.423 -1.101 8.879 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.492 -0.469 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.302 -1.451 7.279 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.663 1.501 7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.109 1.841 7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.353 1.120 5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.298 0.102 6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.219 1.389 9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.390 -0.365 9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.816 0.317 9.754 1.00 0.00 H new ATOM 192 N ILE A 14 -5.610 -3.193 7.974 1.00 0.00 N ATOM 193 CA ILE A 14 -4.961 -4.465 7.651 1.00 0.00 C ATOM 194 C ILE A 14 -6.028 -5.542 7.419 1.00 0.00 C ATOM 195 O ILE A 14 -6.874 -5.764 8.288 1.00 0.00 O ATOM 196 CB ILE A 14 -4.024 -4.931 8.801 1.00 0.00 C ATOM 197 CG1 ILE A 14 -3.331 -3.790 9.584 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.988 -5.920 8.225 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.571 -4.281 10.821 1.00 0.00 C ATOM 0 H ILE A 14 -6.042 -3.204 8.898 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.364 -4.317 6.751 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.656 -5.416 9.544 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.637 -3.272 8.921 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.081 -3.062 9.892 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.323 -6.255 9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.504 -6.779 7.797 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.404 -5.424 7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.108 -3.432 11.325 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.265 -4.773 11.503 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.799 -4.987 10.517 1.00 0.00 H new ATOM 211 N GLU A 15 -5.977 -6.222 6.278 1.00 0.00 N ATOM 212 CA GLU A 15 -6.768 -7.419 6.001 1.00 0.00 C ATOM 213 C GLU A 15 -5.918 -8.630 6.404 1.00 0.00 C ATOM 214 O GLU A 15 -4.805 -8.788 5.902 1.00 0.00 O ATOM 215 CB GLU A 15 -7.123 -7.502 4.510 1.00 0.00 C ATOM 216 CG GLU A 15 -8.114 -6.419 4.080 1.00 0.00 C ATOM 217 CD GLU A 15 -8.613 -6.665 2.649 1.00 0.00 C ATOM 218 OE1 GLU A 15 -7.939 -6.226 1.684 1.00 0.00 O ATOM 219 OE2 GLU A 15 -9.690 -7.287 2.481 1.00 0.00 O ATOM 0 H GLU A 15 -5.372 -5.951 5.503 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.702 -7.392 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.212 -7.412 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.547 -8.483 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.961 -6.403 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.637 -5.441 4.139 1.00 0.00 H new ATOM 226 N ILE A 16 -6.411 -9.475 7.312 1.00 0.00 N ATOM 227 CA ILE A 16 -5.690 -10.637 7.861 1.00 0.00 C ATOM 228 C ILE A 16 -6.505 -11.909 7.599 1.00 0.00 C ATOM 229 O ILE A 16 -7.666 -12.005 7.999 1.00 0.00 O ATOM 230 CB ILE A 16 -5.412 -10.438 9.377 1.00 0.00 C ATOM 231 CG1 ILE A 16 -4.590 -9.147 9.631 1.00 0.00 C ATOM 232 CG2 ILE A 16 -4.683 -11.671 9.954 1.00 0.00 C ATOM 233 CD1 ILE A 16 -4.351 -8.814 11.109 1.00 0.00 C ATOM 0 H ILE A 16 -7.349 -9.371 7.700 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.724 -10.737 7.365 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.369 -10.328 9.887 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.624 -9.245 9.135 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.105 -8.308 9.163 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.495 -11.518 11.017 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.304 -12.557 9.819 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.735 -11.810 9.434 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.768 -7.896 11.186 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.309 -8.679 11.611 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.805 -9.630 11.582 1.00 0.00 H new ATOM 245 N PHE A 17 -5.890 -12.911 6.969 1.00 0.00 N ATOM 246 CA PHE A 17 -6.510 -14.190 6.604 1.00 0.00 C ATOM 247 C PHE A 17 -6.575 -15.158 7.809 1.00 0.00 C ATOM 248 O PHE A 17 -6.101 -16.292 7.749 1.00 0.00 O ATOM 249 CB PHE A 17 -5.756 -14.746 5.380 1.00 0.00 C ATOM 250 CG PHE A 17 -6.441 -15.911 4.683 1.00 0.00 C ATOM 251 CD1 PHE A 17 -7.656 -15.703 4.004 1.00 0.00 C ATOM 252 CD2 PHE A 17 -5.859 -17.195 4.687 1.00 0.00 C ATOM 253 CE1 PHE A 17 -8.284 -16.764 3.327 1.00 0.00 C ATOM 254 CE2 PHE A 17 -6.491 -18.258 4.014 1.00 0.00 C ATOM 255 CZ PHE A 17 -7.699 -18.043 3.328 1.00 0.00 C ATOM 0 H PHE A 17 -4.911 -12.854 6.688 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.554 -14.052 6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.618 -13.940 4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.763 -15.064 5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.109 -14.723 4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.927 -17.363 5.207 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.215 -16.597 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.046 -19.242 4.025 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.176 -18.857 2.803 1.00 0.00 H new ATOM 265 N ARG A 18 -7.144 -14.694 8.931 1.00 0.00 N ATOM 266 CA ARG A 18 -7.116 -15.357 10.250 1.00 0.00 C ATOM 267 C ARG A 18 -7.753 -16.755 10.313 1.00 0.00 C ATOM 268 O ARG A 18 -7.413 -17.528 11.209 1.00 0.00 O ATOM 269 CB ARG A 18 -7.727 -14.406 11.310 1.00 0.00 C ATOM 270 CG ARG A 18 -6.790 -14.153 12.507 1.00 0.00 C ATOM 271 CD ARG A 18 -6.650 -15.341 13.471 1.00 0.00 C ATOM 272 NE ARG A 18 -5.698 -15.043 14.559 1.00 0.00 N ATOM 273 CZ ARG A 18 -5.597 -15.652 15.738 1.00 0.00 C ATOM 274 NH1 ARG A 18 -6.432 -16.600 16.116 1.00 0.00 N ATOM 275 NH2 ARG A 18 -4.636 -15.315 16.571 1.00 0.00 N ATOM 0 H ARG A 18 -7.657 -13.813 8.949 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.065 -15.552 10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.969 -13.454 10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.664 -14.830 11.673 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.802 -13.890 12.129 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.158 -13.291 13.064 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.624 -15.584 13.895 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.313 -16.220 12.921 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.041 -14.282 14.387 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.188 -16.890 15.496 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.321 -17.043 17.028 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.969 -14.588 16.313 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.558 -15.781 17.475 1.00 0.00 H new ATOM 289 N LEU A 19 -8.704 -17.071 9.423 1.00 0.00 N ATOM 290 CA LEU A 19 -9.651 -18.186 9.624 1.00 0.00 C ATOM 291 C LEU A 19 -10.320 -18.718 8.335 1.00 0.00 C ATOM 292 O LEU A 19 -11.438 -19.236 8.374 1.00 0.00 O ATOM 293 CB LEU A 19 -10.631 -17.791 10.759 1.00 0.00 C ATOM 294 CG LEU A 19 -11.347 -16.425 10.659 1.00 0.00 C ATOM 295 CD1 LEU A 19 -12.273 -16.301 9.445 1.00 0.00 C ATOM 296 CD2 LEU A 19 -12.157 -16.179 11.942 1.00 0.00 C ATOM 0 H LEU A 19 -8.841 -16.567 8.547 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.091 -19.067 9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.396 -18.565 10.823 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.079 -17.810 11.698 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.567 -15.674 10.534 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.740 -15.316 9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.694 -16.430 8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.045 -17.068 9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.663 -15.216 11.874 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.897 -16.970 12.062 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.486 -16.176 12.801 1.00 0.00 H new ATOM 308 N GLY A 20 -9.652 -18.569 7.181 1.00 0.00 N ATOM 309 CA GLY A 20 -10.200 -18.911 5.853 1.00 0.00 C ATOM 310 C GLY A 20 -10.962 -17.764 5.178 1.00 0.00 C ATOM 311 O GLY A 20 -11.559 -17.953 4.118 1.00 0.00 O ATOM 0 H GLY A 20 -8.701 -18.202 7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.382 -19.222 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.868 -19.766 5.956 1.00 0.00 H new ATOM 315 N TYR A 21 -10.932 -16.575 5.787 1.00 0.00 N ATOM 316 CA TYR A 21 -11.530 -15.320 5.318 1.00 0.00 C ATOM 317 C TYR A 21 -10.663 -14.135 5.784 1.00 0.00 C ATOM 318 O TYR A 21 -10.028 -14.209 6.841 1.00 0.00 O ATOM 319 CB TYR A 21 -12.963 -15.217 5.869 1.00 0.00 C ATOM 320 CG TYR A 21 -13.719 -13.958 5.483 1.00 0.00 C ATOM 321 CD1 TYR A 21 -14.128 -13.761 4.149 1.00 0.00 C ATOM 322 CD2 TYR A 21 -14.020 -12.982 6.458 1.00 0.00 C ATOM 323 CE1 TYR A 21 -14.838 -12.600 3.786 1.00 0.00 C ATOM 324 CE2 TYR A 21 -14.732 -11.821 6.103 1.00 0.00 C ATOM 325 CZ TYR A 21 -15.142 -11.625 4.765 1.00 0.00 C ATOM 326 OH TYR A 21 -15.833 -10.501 4.424 1.00 0.00 O ATOM 0 H TYR A 21 -10.457 -16.455 6.682 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.573 -15.299 4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -13.530 -16.081 5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -12.921 -15.277 6.957 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.896 -14.504 3.401 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -13.703 -13.127 7.480 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -15.150 -12.454 2.762 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -14.965 -11.080 6.853 1.00 0.00 H new ATOM 0 HH TYR A 21 -15.956 -9.939 5.218 1.00 0.00 H new ATOM 336 N GLU A 22 -10.616 -13.057 4.996 1.00 0.00 N ATOM 337 CA GLU A 22 -9.842 -11.854 5.314 1.00 0.00 C ATOM 338 C GLU A 22 -10.641 -10.947 6.265 1.00 0.00 C ATOM 339 O GLU A 22 -11.620 -10.315 5.866 1.00 0.00 O ATOM 340 CB GLU A 22 -9.445 -11.113 4.027 1.00 0.00 C ATOM 341 CG GLU A 22 -8.445 -11.924 3.195 1.00 0.00 C ATOM 342 CD GLU A 22 -7.999 -11.154 1.942 1.00 0.00 C ATOM 343 OE1 GLU A 22 -8.699 -11.232 0.903 1.00 0.00 O ATOM 344 OE2 GLU A 22 -6.930 -10.501 1.979 1.00 0.00 O ATOM 0 H GLU A 22 -11.119 -12.994 4.111 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.923 -12.146 5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.336 -10.913 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.008 -10.147 4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.574 -12.165 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.899 -12.870 2.900 1.00 0.00 H new ATOM 351 N HIS A 23 -10.226 -10.889 7.532 1.00 0.00 N ATOM 352 CA HIS A 23 -10.861 -10.090 8.585 1.00 0.00 C ATOM 353 C HIS A 23 -9.999 -8.862 8.951 1.00 0.00 C ATOM 354 O HIS A 23 -8.781 -8.868 8.757 1.00 0.00 O ATOM 355 CB HIS A 23 -11.139 -11.002 9.797 1.00 0.00 C ATOM 356 CG HIS A 23 -12.396 -10.639 10.554 1.00 0.00 C ATOM 357 ND1 HIS A 23 -12.496 -10.282 11.882 1.00 0.00 N ATOM 358 CD2 HIS A 23 -13.676 -10.693 10.064 1.00 0.00 C ATOM 359 CE1 HIS A 23 -13.799 -10.128 12.174 1.00 0.00 C ATOM 360 NE2 HIS A 23 -14.562 -10.359 11.092 1.00 0.00 N ATOM 0 H HIS A 23 -9.415 -11.411 7.865 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.810 -9.691 8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.217 -12.034 9.454 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -10.289 -10.956 10.478 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -11.718 -10.157 12.529 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -13.953 -10.951 9.052 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.181 -9.855 13.147 1.00 0.00 H new ATOM 368 N TRP A 24 -10.617 -7.797 9.475 1.00 0.00 N ATOM 369 CA TRP A 24 -9.948 -6.501 9.656 1.00 0.00 C ATOM 370 C TRP A 24 -9.177 -6.306 10.972 1.00 0.00 C ATOM 371 O TRP A 24 -9.579 -6.769 12.044 1.00 0.00 O ATOM 372 CB TRP A 24 -10.975 -5.371 9.541 1.00 0.00 C ATOM 373 CG TRP A 24 -11.493 -5.081 8.169 1.00 0.00 C ATOM 374 CD1 TRP A 24 -12.780 -5.189 7.788 1.00 0.00 C ATOM 375 CD2 TRP A 24 -10.792 -4.536 7.008 1.00 0.00 C ATOM 376 NE1 TRP A 24 -12.922 -4.823 6.469 1.00 0.00 N ATOM 377 CE2 TRP A 24 -11.726 -4.397 5.936 1.00 0.00 C ATOM 378 CE3 TRP A 24 -9.470 -4.110 6.767 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -11.363 -3.892 4.678 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -9.097 -3.591 5.514 1.00 0.00 C ATOM 381 CH2 TRP A 24 -10.034 -3.493 4.468 1.00 0.00 C ATOM 0 H TRP A 24 -11.589 -7.807 9.784 1.00 0.00 H new ATOM 0 HA TRP A 24 -9.198 -6.480 8.866 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -11.823 -5.613 10.182 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -10.526 -4.460 9.936 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.587 -5.517 8.427 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.801 -4.862 5.952 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.734 -4.183 7.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -12.093 -3.812 3.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.080 -3.264 5.353 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.730 -3.111 3.505 1.00 0.00 H new ATOM 392 N ALA A 25 -8.125 -5.487 10.874 1.00 0.00 N ATOM 393 CA ALA A 25 -7.338 -4.927 11.969 1.00 0.00 C ATOM 394 C ALA A 25 -6.821 -3.518 11.604 1.00 0.00 C ATOM 395 O ALA A 25 -6.896 -3.102 10.448 1.00 0.00 O ATOM 396 CB ALA A 25 -6.211 -5.905 12.333 1.00 0.00 C ATOM 0 H ALA A 25 -7.780 -5.179 9.965 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.963 -4.799 12.853 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.620 -5.491 13.150 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.642 -6.857 12.642 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.570 -6.061 11.465 1.00 0.00 H new ATOM 402 N LEU A 26 -6.296 -2.781 12.583 1.00 0.00 N ATOM 403 CA LEU A 26 -5.825 -1.397 12.465 1.00 0.00 C ATOM 404 C LEU A 26 -4.575 -1.216 13.325 1.00 0.00 C ATOM 405 O LEU A 26 -4.618 -1.448 14.530 1.00 0.00 O ATOM 406 CB LEU A 26 -6.989 -0.473 12.881 1.00 0.00 C ATOM 407 CG LEU A 26 -6.687 1.031 13.069 1.00 0.00 C ATOM 408 CD1 LEU A 26 -5.835 1.675 11.966 1.00 0.00 C ATOM 409 CD2 LEU A 26 -8.007 1.804 13.123 1.00 0.00 C ATOM 0 H LEU A 26 -6.181 -3.149 13.527 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.537 -1.144 11.445 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.774 -0.565 12.130 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.398 -0.852 13.818 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.110 1.087 13.992 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.682 2.730 12.194 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.870 1.172 11.911 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.348 1.581 11.009 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.801 2.866 13.256 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.555 1.654 12.193 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.606 1.443 13.959 1.00 0.00 H new ATOM 421 N TYR A 27 -3.461 -0.821 12.710 1.00 0.00 N ATOM 422 CA TYR A 27 -2.172 -0.609 13.382 1.00 0.00 C ATOM 423 C TYR A 27 -2.194 0.687 14.220 1.00 0.00 C ATOM 424 O TYR A 27 -2.354 1.779 13.677 1.00 0.00 O ATOM 425 CB TYR A 27 -1.081 -0.599 12.297 1.00 0.00 C ATOM 426 CG TYR A 27 0.327 -1.002 12.699 1.00 0.00 C ATOM 427 CD1 TYR A 27 0.664 -2.368 12.799 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.344 -0.033 12.798 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.010 -2.763 12.929 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.691 -0.420 12.917 1.00 0.00 C ATOM 431 CZ TYR A 27 3.032 -1.786 12.950 1.00 0.00 C ATOM 432 OH TYR A 27 4.343 -2.156 12.995 1.00 0.00 O ATOM 0 H TYR A 27 -3.425 -0.634 11.708 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.963 -1.411 14.090 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.402 -1.263 11.494 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.034 0.407 11.879 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.115 -3.116 12.776 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.088 1.016 12.782 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.261 -3.810 13.012 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.464 0.331 12.983 1.00 0.00 H new ATOM 0 HH TYR A 27 4.909 -1.356 13.003 1.00 0.00 H new ATOM 442 N ILE A 28 -2.054 0.579 15.545 1.00 0.00 N ATOM 443 CA ILE A 28 -2.142 1.722 16.488 1.00 0.00 C ATOM 444 C ILE A 28 -0.796 2.158 17.087 1.00 0.00 C ATOM 445 O ILE A 28 -0.690 3.253 17.642 1.00 0.00 O ATOM 446 CB ILE A 28 -3.141 1.410 17.623 1.00 0.00 C ATOM 447 CG1 ILE A 28 -2.786 0.130 18.418 1.00 0.00 C ATOM 448 CG2 ILE A 28 -4.568 1.340 17.049 1.00 0.00 C ATOM 449 CD1 ILE A 28 -3.363 0.130 19.838 1.00 0.00 C ATOM 0 H ILE A 28 -1.874 -0.312 16.009 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.494 2.563 15.890 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.080 2.224 18.345 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.159 -0.741 17.880 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.702 0.031 18.472 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.272 1.120 17.851 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.824 2.297 16.594 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.619 0.554 16.295 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.081 -0.792 20.345 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.970 0.983 20.391 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.450 0.199 19.789 1.00 0.00 H new ATOM 461 N GLY A 29 0.223 1.306 16.981 1.00 0.00 N ATOM 462 CA GLY A 29 1.587 1.522 17.471 1.00 0.00 C ATOM 463 C GLY A 29 2.541 0.520 16.836 1.00 0.00 C ATOM 464 O GLY A 29 2.112 -0.315 16.042 1.00 0.00 O ATOM 0 H GLY A 29 0.115 0.399 16.528 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.908 2.537 17.239 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.611 1.420 18.556 1.00 0.00 H new ATOM 468 N ASP A 30 3.827 0.591 17.175 1.00 0.00 N ATOM 469 CA ASP A 30 4.871 -0.214 16.532 1.00 0.00 C ATOM 470 C ASP A 30 4.720 -1.722 16.848 1.00 0.00 C ATOM 471 O ASP A 30 5.200 -2.230 17.867 1.00 0.00 O ATOM 472 CB ASP A 30 6.250 0.334 16.934 1.00 0.00 C ATOM 473 CG ASP A 30 7.405 -0.436 16.272 1.00 0.00 C ATOM 474 OD1 ASP A 30 7.400 -0.573 15.026 1.00 0.00 O ATOM 475 OD2 ASP A 30 8.328 -0.878 16.998 1.00 0.00 O ATOM 0 H ASP A 30 4.178 1.210 17.906 1.00 0.00 H new ATOM 0 HA ASP A 30 4.766 -0.132 15.450 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.314 1.387 16.658 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.357 0.282 18.018 1.00 0.00 H new ATOM 480 N GLY A 31 4.003 -2.427 15.969 1.00 0.00 N ATOM 481 CA GLY A 31 3.607 -3.832 16.106 1.00 0.00 C ATOM 482 C GLY A 31 2.318 -4.054 16.904 1.00 0.00 C ATOM 483 O GLY A 31 1.937 -5.200 17.108 1.00 0.00 O ATOM 0 H GLY A 31 3.666 -2.014 15.100 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.482 -4.260 15.111 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.417 -4.379 16.589 1.00 0.00 H new ATOM 487 N TYR A 32 1.638 -2.996 17.352 1.00 0.00 N ATOM 488 CA TYR A 32 0.387 -3.062 18.125 1.00 0.00 C ATOM 489 C TYR A 32 -0.844 -2.793 17.242 1.00 0.00 C ATOM 490 O TYR A 32 -0.847 -1.844 16.456 1.00 0.00 O ATOM 491 CB TYR A 32 0.456 -2.057 19.283 1.00 0.00 C ATOM 492 CG TYR A 32 1.510 -2.390 20.322 1.00 0.00 C ATOM 493 CD1 TYR A 32 1.237 -3.354 21.313 1.00 0.00 C ATOM 494 CD2 TYR A 32 2.765 -1.748 20.300 1.00 0.00 C ATOM 495 CE1 TYR A 32 2.209 -3.676 22.277 1.00 0.00 C ATOM 496 CE2 TYR A 32 3.742 -2.060 21.264 1.00 0.00 C ATOM 497 CZ TYR A 32 3.464 -3.027 22.259 1.00 0.00 C ATOM 498 OH TYR A 32 4.407 -3.350 23.188 1.00 0.00 O ATOM 0 H TYR A 32 1.949 -2.039 17.184 1.00 0.00 H new ATOM 0 HA TYR A 32 0.278 -4.071 18.523 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.658 -1.065 18.879 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.518 -2.010 19.770 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.277 -3.848 21.332 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.978 -1.012 19.539 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.996 -4.419 23.031 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.701 -1.563 21.244 1.00 0.00 H new ATOM 0 HH TYR A 32 5.213 -2.814 23.036 1.00 0.00 H new ATOM 508 N VAL A 33 -1.906 -3.593 17.382 1.00 0.00 N ATOM 509 CA VAL A 33 -3.100 -3.543 16.518 1.00 0.00 C ATOM 510 C VAL A 33 -4.410 -3.641 17.298 1.00 0.00 C ATOM 511 O VAL A 33 -4.480 -4.275 18.348 1.00 0.00 O ATOM 512 CB VAL A 33 -3.103 -4.664 15.441 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.980 -4.488 14.413 1.00 0.00 C ATOM 514 CG2 VAL A 33 -3.001 -6.083 16.025 1.00 0.00 C ATOM 0 H VAL A 33 -1.966 -4.306 18.109 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.041 -2.567 16.037 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.073 -4.559 14.955 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.025 -5.296 13.683 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.099 -3.532 13.904 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.015 -4.511 14.920 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.009 -6.812 15.214 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.073 -6.178 16.589 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.848 -6.266 16.686 1.00 0.00 H new ATOM 524 N ILE A 34 -5.459 -3.029 16.750 1.00 0.00 N ATOM 525 CA ILE A 34 -6.860 -3.175 17.181 1.00 0.00 C ATOM 526 C ILE A 34 -7.548 -4.041 16.124 1.00 0.00 C ATOM 527 O ILE A 34 -7.247 -3.926 14.942 1.00 0.00 O ATOM 528 CB ILE A 34 -7.513 -1.790 17.396 1.00 0.00 C ATOM 529 CG1 ILE A 34 -6.813 -1.178 18.630 1.00 0.00 C ATOM 530 CG2 ILE A 34 -9.042 -1.885 17.587 1.00 0.00 C ATOM 531 CD1 ILE A 34 -7.380 0.142 19.143 1.00 0.00 C ATOM 0 H ILE A 34 -5.358 -2.391 15.961 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.951 -3.667 18.150 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.384 -1.160 16.516 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.852 -1.905 19.441 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.761 -1.027 18.387 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.453 -0.886 17.734 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.492 -2.336 16.702 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.262 -2.500 18.459 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.807 0.472 20.010 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.316 0.895 18.358 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.423 0.004 19.428 1.00 0.00 H new ATOM 543 N HIS A 35 -8.444 -4.935 16.523 1.00 0.00 N ATOM 544 CA HIS A 35 -8.995 -5.970 15.643 1.00 0.00 C ATOM 545 C HIS A 35 -10.361 -6.467 16.140 1.00 0.00 C ATOM 546 O HIS A 35 -10.640 -6.431 17.338 1.00 0.00 O ATOM 547 CB HIS A 35 -7.973 -7.124 15.553 1.00 0.00 C ATOM 548 CG HIS A 35 -7.545 -7.682 16.896 1.00 0.00 C ATOM 549 ND1 HIS A 35 -7.970 -8.855 17.483 1.00 0.00 N ATOM 550 CD2 HIS A 35 -6.672 -7.097 17.773 1.00 0.00 C ATOM 551 CE1 HIS A 35 -7.371 -8.961 18.683 1.00 0.00 C ATOM 552 NE2 HIS A 35 -6.578 -7.900 18.912 1.00 0.00 N ATOM 0 H HIS A 35 -8.815 -4.966 17.473 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.165 -5.552 14.651 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.403 -7.930 14.958 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.090 -6.771 15.021 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.624 -9.525 17.078 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.144 -6.169 17.611 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.508 -9.785 19.368 1.00 0.00 H new ATOM 560 N LEU A 36 -11.207 -6.949 15.225 1.00 0.00 N ATOM 561 CA LEU A 36 -12.526 -7.492 15.552 1.00 0.00 C ATOM 562 C LEU A 36 -12.457 -9.021 15.671 1.00 0.00 C ATOM 563 O LEU A 36 -12.029 -9.698 14.736 1.00 0.00 O ATOM 564 CB LEU A 36 -13.507 -7.030 14.455 1.00 0.00 C ATOM 565 CG LEU A 36 -14.988 -7.383 14.700 1.00 0.00 C ATOM 566 CD1 LEU A 36 -15.567 -6.606 15.891 1.00 0.00 C ATOM 567 CD2 LEU A 36 -15.792 -7.045 13.441 1.00 0.00 C ATOM 0 H LEU A 36 -10.992 -6.973 14.228 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.875 -7.126 16.517 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.422 -5.949 14.347 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.198 -7.470 13.507 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.053 -8.447 14.928 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.612 -6.882 16.032 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.003 -6.848 16.792 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.497 -5.536 15.696 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.842 -7.291 13.603 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.698 -5.981 13.224 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.410 -7.622 12.599 1.00 0.00 H new ATOM 579 N ALA A 37 -12.896 -9.568 16.804 1.00 0.00 N ATOM 580 CA ALA A 37 -13.109 -11.001 16.997 1.00 0.00 C ATOM 581 C ALA A 37 -14.540 -11.369 16.540 1.00 0.00 C ATOM 582 O ALA A 37 -15.473 -10.626 16.869 1.00 0.00 O ATOM 583 CB ALA A 37 -12.878 -11.337 18.477 1.00 0.00 C ATOM 0 H ALA A 37 -13.118 -9.014 17.631 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.408 -11.584 16.399 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.034 -12.404 18.636 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.857 -11.074 18.755 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.579 -10.772 19.092 1.00 0.00 H new ATOM 589 N PRO A 38 -14.740 -12.478 15.796 1.00 0.00 N ATOM 590 CA PRO A 38 -16.030 -12.833 15.197 1.00 0.00 C ATOM 591 C PRO A 38 -17.047 -13.350 16.237 1.00 0.00 C ATOM 592 O PRO A 38 -16.662 -13.627 17.375 1.00 0.00 O ATOM 593 CB PRO A 38 -15.693 -13.903 14.147 1.00 0.00 C ATOM 594 CG PRO A 38 -14.474 -14.600 14.748 1.00 0.00 C ATOM 595 CD PRO A 38 -13.721 -13.445 15.402 1.00 0.00 C ATOM 0 HA PRO A 38 -16.516 -11.962 14.757 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.521 -14.596 13.996 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.467 -13.460 13.177 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.759 -15.361 15.474 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.873 -15.096 13.986 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.153 -13.788 16.267 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.008 -13.000 14.708 1.00 0.00 H new ATOM 603 N PRO A 39 -18.337 -13.505 15.857 1.00 0.00 N ATOM 604 CA PRO A 39 -19.388 -14.034 16.732 1.00 0.00 C ATOM 605 C PRO A 39 -19.164 -15.464 17.248 1.00 0.00 C ATOM 606 O PRO A 39 -19.655 -15.792 18.327 1.00 0.00 O ATOM 607 CB PRO A 39 -20.686 -13.966 15.914 1.00 0.00 C ATOM 608 CG PRO A 39 -20.417 -12.854 14.907 1.00 0.00 C ATOM 609 CD PRO A 39 -18.932 -13.031 14.611 1.00 0.00 C ATOM 0 HA PRO A 39 -19.408 -13.432 17.641 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -20.898 -14.913 15.418 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -21.545 -13.737 16.544 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -21.026 -12.963 14.009 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -20.634 -11.870 15.322 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -18.776 -13.748 13.805 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -18.481 -12.091 14.294 1.00 0.00 H new ATOM 617 N SER A 40 -18.453 -16.314 16.501 1.00 0.00 N ATOM 618 CA SER A 40 -18.195 -17.726 16.843 1.00 0.00 C ATOM 619 C SER A 40 -16.804 -17.950 17.476 1.00 0.00 C ATOM 620 O SER A 40 -15.839 -17.249 17.157 1.00 0.00 O ATOM 621 CB SER A 40 -18.320 -18.606 15.587 1.00 0.00 C ATOM 622 OG SER A 40 -19.547 -18.394 14.898 1.00 0.00 O ATOM 0 H SER A 40 -18.027 -16.037 15.617 1.00 0.00 H new ATOM 0 HA SER A 40 -18.944 -18.005 17.584 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.488 -18.396 14.915 1.00 0.00 H new ATOM 0 HB3 SER A 40 -18.243 -19.655 15.872 1.00 0.00 H new ATOM 0 HG SER A 40 -19.582 -18.972 14.107 1.00 0.00 H new ATOM 628 N GLU A 41 -16.680 -18.966 18.341 1.00 0.00 N ATOM 629 CA GLU A 41 -15.398 -19.399 18.915 1.00 0.00 C ATOM 630 C GLU A 41 -14.422 -19.897 17.834 1.00 0.00 C ATOM 631 O GLU A 41 -14.793 -20.659 16.939 1.00 0.00 O ATOM 632 CB GLU A 41 -15.632 -20.497 19.967 1.00 0.00 C ATOM 633 CG GLU A 41 -16.099 -19.936 21.315 1.00 0.00 C ATOM 634 CD GLU A 41 -14.952 -19.249 22.073 1.00 0.00 C ATOM 635 OE1 GLU A 41 -14.134 -19.963 22.703 1.00 0.00 O ATOM 636 OE2 GLU A 41 -14.871 -17.997 22.057 1.00 0.00 O ATOM 0 H GLU A 41 -17.475 -19.516 18.665 1.00 0.00 H new ATOM 0 HA GLU A 41 -14.942 -18.532 19.393 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -16.377 -21.200 19.593 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -14.709 -21.058 20.112 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -16.906 -19.222 21.152 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -16.505 -20.743 21.924 1.00 0.00 H new ATOM 643 N TYR A 42 -13.148 -19.495 17.937 1.00 0.00 N ATOM 644 CA TYR A 42 -12.112 -19.766 16.931 1.00 0.00 C ATOM 645 C TYR A 42 -11.914 -21.254 16.543 1.00 0.00 C ATOM 646 O TYR A 42 -11.873 -21.541 15.340 1.00 0.00 O ATOM 647 CB TYR A 42 -10.799 -19.078 17.348 1.00 0.00 C ATOM 648 CG TYR A 42 -9.717 -19.138 16.286 1.00 0.00 C ATOM 649 CD1 TYR A 42 -9.718 -18.200 15.238 1.00 0.00 C ATOM 650 CD2 TYR A 42 -8.732 -20.147 16.319 1.00 0.00 C ATOM 651 CE1 TYR A 42 -8.753 -18.274 14.217 1.00 0.00 C ATOM 652 CE2 TYR A 42 -7.762 -20.224 15.300 1.00 0.00 C ATOM 653 CZ TYR A 42 -7.777 -19.296 14.234 1.00 0.00 C ATOM 654 OH TYR A 42 -6.859 -19.384 13.232 1.00 0.00 O ATOM 0 H TYR A 42 -12.802 -18.963 18.736 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.476 -19.332 16.000 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.005 -18.034 17.586 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -10.427 -19.545 18.260 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.463 -17.419 15.217 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.721 -20.863 17.128 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.758 -17.548 13.418 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -7.005 -20.994 15.334 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.071 -18.728 12.535 1.00 0.00 H new ATOM 664 N PRO A 43 -11.820 -22.207 17.496 1.00 0.00 N ATOM 665 CA PRO A 43 -11.682 -23.637 17.208 1.00 0.00 C ATOM 666 C PRO A 43 -13.027 -24.325 16.891 1.00 0.00 C ATOM 667 O PRO A 43 -13.041 -25.536 16.664 1.00 0.00 O ATOM 668 CB PRO A 43 -11.039 -24.222 18.469 1.00 0.00 C ATOM 669 CG PRO A 43 -11.645 -23.369 19.581 1.00 0.00 C ATOM 670 CD PRO A 43 -11.714 -21.987 18.932 1.00 0.00 C ATOM 0 HA PRO A 43 -11.082 -23.800 16.313 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.278 -25.278 18.593 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.952 -24.142 18.444 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.630 -23.728 19.878 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.023 -23.367 20.476 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.573 -21.427 19.303 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.825 -21.402 19.170 1.00 0.00 H new ATOM 678 N GLY A 44 -14.159 -23.602 16.906 1.00 0.00 N ATOM 679 CA GLY A 44 -15.499 -24.187 16.789 1.00 0.00 C ATOM 680 C GLY A 44 -15.894 -24.871 18.097 1.00 0.00 C ATOM 681 O GLY A 44 -15.890 -24.238 19.152 1.00 0.00 O ATOM 0 H GLY A 44 -14.166 -22.586 17.001 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.223 -23.410 16.544 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.518 -24.909 15.973 1.00 0.00 H new ATOM 685 N ALA A 45 -16.211 -26.168 18.040 1.00 0.00 N ATOM 686 CA ALA A 45 -16.547 -27.014 19.194 1.00 0.00 C ATOM 687 C ALA A 45 -15.300 -27.472 19.990 1.00 0.00 C ATOM 688 O ALA A 45 -15.072 -28.670 20.185 1.00 0.00 O ATOM 689 CB ALA A 45 -17.423 -28.174 18.694 1.00 0.00 C ATOM 0 H ALA A 45 -16.242 -26.678 17.157 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.114 -26.434 19.922 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -17.687 -28.818 19.533 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.332 -27.775 18.243 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.872 -28.752 17.952 1.00 0.00 H new ATOM 695 N GLY A 46 -14.487 -26.511 20.452 1.00 0.00 N ATOM 696 CA GLY A 46 -13.338 -26.755 21.331 1.00 0.00 C ATOM 697 C GLY A 46 -13.816 -26.986 22.759 1.00 0.00 C ATOM 698 O GLY A 46 -14.187 -26.034 23.443 1.00 0.00 O ATOM 0 H GLY A 46 -14.613 -25.526 20.220 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.779 -27.623 20.981 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.658 -25.904 21.299 1.00 0.00 H new ATOM 702 N SER A 47 -13.796 -28.238 23.216 1.00 0.00 N ATOM 703 CA SER A 47 -14.413 -28.694 24.477 1.00 0.00 C ATOM 704 C SER A 47 -13.932 -27.947 25.734 1.00 0.00 C ATOM 705 O SER A 47 -14.701 -27.779 26.681 1.00 0.00 O ATOM 706 CB SER A 47 -14.161 -30.202 24.656 1.00 0.00 C ATOM 707 OG SER A 47 -14.556 -30.937 23.502 1.00 0.00 O ATOM 0 H SER A 47 -13.336 -28.993 22.707 1.00 0.00 H new ATOM 0 HA SER A 47 -15.476 -28.474 24.384 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.103 -30.374 24.854 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.711 -30.563 25.525 1.00 0.00 H new ATOM 0 HG SER A 47 -14.382 -31.891 23.646 1.00 0.00 H new ATOM 713 N SER A 48 -12.690 -27.448 25.747 1.00 0.00 N ATOM 714 CA SER A 48 -12.150 -26.633 26.852 1.00 0.00 C ATOM 715 C SER A 48 -12.845 -25.259 26.992 1.00 0.00 C ATOM 716 O SER A 48 -12.792 -24.646 28.061 1.00 0.00 O ATOM 717 CB SER A 48 -10.638 -26.422 26.653 1.00 0.00 C ATOM 718 OG SER A 48 -9.951 -27.647 26.425 1.00 0.00 O ATOM 0 H SER A 48 -12.024 -27.597 24.989 1.00 0.00 H new ATOM 0 HA SER A 48 -12.344 -27.185 27.771 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.474 -25.753 25.809 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.222 -25.932 27.533 1.00 0.00 H new ATOM 0 HG SER A 48 -8.995 -27.468 26.302 1.00 0.00 H new ATOM 724 N SER A 49 -13.507 -24.769 25.935 1.00 0.00 N ATOM 725 CA SER A 49 -14.286 -23.519 25.930 1.00 0.00 C ATOM 726 C SER A 49 -15.803 -23.743 25.738 1.00 0.00 C ATOM 727 O SER A 49 -16.594 -23.204 26.518 1.00 0.00 O ATOM 728 CB SER A 49 -13.763 -22.590 24.822 1.00 0.00 C ATOM 729 OG SER A 49 -14.397 -21.323 24.889 1.00 0.00 O ATOM 0 H SER A 49 -13.517 -25.244 25.032 1.00 0.00 H new ATOM 0 HA SER A 49 -14.155 -23.065 26.912 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.684 -22.468 24.922 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.944 -23.042 23.847 1.00 0.00 H new ATOM 0 HG SER A 49 -14.451 -20.936 23.990 1.00 0.00 H new ATOM 735 N VAL A 50 -16.232 -24.528 24.734 1.00 0.00 N ATOM 736 CA VAL A 50 -17.641 -24.653 24.300 1.00 0.00 C ATOM 737 C VAL A 50 -17.961 -26.018 23.676 1.00 0.00 C ATOM 738 O VAL A 50 -17.072 -26.711 23.184 1.00 0.00 O ATOM 739 CB VAL A 50 -18.042 -23.556 23.276 1.00 0.00 C ATOM 740 CG1 VAL A 50 -18.115 -22.147 23.884 1.00 0.00 C ATOM 741 CG2 VAL A 50 -17.131 -23.548 22.038 1.00 0.00 C ATOM 0 H VAL A 50 -15.596 -25.108 24.187 1.00 0.00 H new ATOM 0 HA VAL A 50 -18.218 -24.536 25.217 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.050 -23.827 22.963 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -18.400 -21.432 23.112 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -18.856 -22.133 24.683 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.140 -21.874 24.289 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -17.454 -22.763 21.354 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -16.102 -23.361 22.345 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -17.190 -24.514 21.536 1.00 0.00 H new ATOM 751 N PHE A 51 -19.259 -26.348 23.639 1.00 0.00 N ATOM 752 CA PHE A 51 -19.820 -27.499 22.915 1.00 0.00 C ATOM 753 C PHE A 51 -21.343 -27.396 22.708 1.00 0.00 C ATOM 754 O PHE A 51 -21.846 -27.782 21.656 1.00 0.00 O ATOM 755 CB PHE A 51 -19.449 -28.821 23.623 1.00 0.00 C ATOM 756 CG PHE A 51 -19.901 -28.941 25.070 1.00 0.00 C ATOM 757 CD1 PHE A 51 -19.060 -28.494 26.108 1.00 0.00 C ATOM 758 CD2 PHE A 51 -21.159 -29.495 25.382 1.00 0.00 C ATOM 759 CE1 PHE A 51 -19.478 -28.589 27.448 1.00 0.00 C ATOM 760 CE2 PHE A 51 -21.577 -29.585 26.723 1.00 0.00 C ATOM 761 CZ PHE A 51 -20.738 -29.130 27.757 1.00 0.00 C ATOM 0 H PHE A 51 -19.971 -25.805 24.127 1.00 0.00 H new ATOM 0 HA PHE A 51 -19.373 -27.491 21.921 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -19.878 -29.648 23.057 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -18.366 -28.939 23.588 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -18.091 -28.077 25.874 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -21.803 -29.851 24.591 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -18.830 -28.246 28.241 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -22.544 -30.004 26.959 1.00 0.00 H new ATOM 0 HZ PHE A 51 -21.061 -29.196 28.785 1.00 0.00 H new ATOM 771 N SER A 52 -22.074 -26.862 23.691 1.00 0.00 N ATOM 772 CA SER A 52 -23.549 -26.769 23.664 1.00 0.00 C ATOM 773 C SER A 52 -24.075 -25.623 22.774 1.00 0.00 C ATOM 774 O SER A 52 -25.121 -25.758 22.133 1.00 0.00 O ATOM 775 CB SER A 52 -24.060 -26.600 25.104 1.00 0.00 C ATOM 776 OG SER A 52 -23.461 -25.473 25.735 1.00 0.00 O ATOM 0 H SER A 52 -21.660 -26.476 24.540 1.00 0.00 H new ATOM 0 HA SER A 52 -23.928 -27.691 23.222 1.00 0.00 H new ATOM 0 HB2 SER A 52 -25.144 -26.482 25.096 1.00 0.00 H new ATOM 0 HB3 SER A 52 -23.841 -27.500 25.678 1.00 0.00 H new ATOM 0 HG SER A 52 -23.805 -25.388 26.649 1.00 0.00 H new ATOM 782 N VAL A 53 -23.329 -24.515 22.700 1.00 0.00 N ATOM 783 CA VAL A 53 -23.521 -23.383 21.773 1.00 0.00 C ATOM 784 C VAL A 53 -22.158 -22.730 21.496 1.00 0.00 C ATOM 785 O VAL A 53 -21.370 -22.525 22.419 1.00 0.00 O ATOM 786 CB VAL A 53 -24.593 -22.382 22.281 1.00 0.00 C ATOM 787 CG1 VAL A 53 -24.230 -21.689 23.607 1.00 0.00 C ATOM 788 CG2 VAL A 53 -24.915 -21.325 21.213 1.00 0.00 C ATOM 0 H VAL A 53 -22.530 -24.372 23.317 1.00 0.00 H new ATOM 0 HA VAL A 53 -23.919 -23.752 20.828 1.00 0.00 H new ATOM 0 HB VAL A 53 -25.476 -22.989 22.479 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.031 -21.006 23.892 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -24.099 -22.440 24.386 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -23.303 -21.129 23.483 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.669 -20.638 21.597 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -24.010 -20.770 20.966 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -25.295 -21.817 20.317 1.00 0.00 H new ATOM 798 N LEU A 54 -21.863 -22.454 20.218 1.00 0.00 N ATOM 799 CA LEU A 54 -20.526 -22.048 19.749 1.00 0.00 C ATOM 800 C LEU A 54 -20.357 -20.541 19.492 1.00 0.00 C ATOM 801 O LEU A 54 -19.259 -20.099 19.153 1.00 0.00 O ATOM 802 CB LEU A 54 -20.198 -22.850 18.469 1.00 0.00 C ATOM 803 CG LEU A 54 -20.383 -24.383 18.556 1.00 0.00 C ATOM 804 CD1 LEU A 54 -19.907 -25.017 17.243 1.00 0.00 C ATOM 805 CD2 LEU A 54 -19.620 -25.000 19.737 1.00 0.00 C ATOM 0 H LEU A 54 -22.554 -22.506 19.469 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.828 -22.269 20.557 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -20.825 -22.475 17.660 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -19.164 -22.645 18.192 1.00 0.00 H new ATOM 0 HG LEU A 54 -21.442 -24.584 18.720 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -20.033 -26.098 17.294 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -20.495 -24.622 16.414 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -18.854 -24.782 17.086 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -19.783 -26.078 19.753 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -18.555 -24.796 19.628 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -19.979 -24.565 20.670 1.00 0.00 H new ATOM 817 N SER A 55 -21.426 -19.751 19.607 1.00 0.00 N ATOM 818 CA SER A 55 -21.449 -18.326 19.230 1.00 0.00 C ATOM 819 C SER A 55 -22.255 -17.445 20.204 1.00 0.00 C ATOM 820 O SER A 55 -23.094 -17.936 20.962 1.00 0.00 O ATOM 821 CB SER A 55 -22.030 -18.166 17.810 1.00 0.00 C ATOM 822 OG SER A 55 -21.371 -18.985 16.853 1.00 0.00 O ATOM 0 H SER A 55 -22.319 -20.084 19.971 1.00 0.00 H new ATOM 0 HA SER A 55 -20.414 -17.985 19.268 1.00 0.00 H new ATOM 0 HB2 SER A 55 -23.091 -18.414 17.826 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.951 -17.123 17.505 1.00 0.00 H new ATOM 0 HG SER A 55 -20.802 -18.428 16.282 1.00 0.00 H new ATOM 828 N ASN A 56 -22.027 -16.125 20.150 1.00 0.00 N ATOM 829 CA ASN A 56 -22.749 -15.123 20.949 1.00 0.00 C ATOM 830 C ASN A 56 -22.851 -13.771 20.221 1.00 0.00 C ATOM 831 O ASN A 56 -23.941 -13.340 19.856 1.00 0.00 O ATOM 832 CB ASN A 56 -22.038 -14.956 22.304 1.00 0.00 C ATOM 833 CG ASN A 56 -22.757 -13.951 23.201 1.00 0.00 C ATOM 834 OD1 ASN A 56 -22.489 -12.755 23.154 1.00 0.00 O ATOM 835 ND2 ASN A 56 -23.705 -14.393 24.009 1.00 0.00 N ATOM 0 H ASN A 56 -21.322 -15.715 19.538 1.00 0.00 H new ATOM 0 HA ASN A 56 -23.769 -15.475 21.105 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -21.985 -15.921 22.808 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -21.012 -14.627 22.138 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -24.219 -13.738 24.598 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -23.923 -15.389 24.043 1.00 0.00 H new ATOM 842 N SER A 57 -21.718 -13.095 20.007 1.00 0.00 N ATOM 843 CA SER A 57 -21.608 -11.756 19.410 1.00 0.00 C ATOM 844 C SER A 57 -20.128 -11.412 19.130 1.00 0.00 C ATOM 845 O SER A 57 -19.234 -11.978 19.766 1.00 0.00 O ATOM 846 CB SER A 57 -22.255 -10.677 20.302 1.00 0.00 C ATOM 847 OG SER A 57 -21.695 -10.629 21.609 1.00 0.00 O ATOM 0 H SER A 57 -20.808 -13.483 20.256 1.00 0.00 H new ATOM 0 HA SER A 57 -22.153 -11.770 18.466 1.00 0.00 H new ATOM 0 HB2 SER A 57 -22.139 -9.703 19.827 1.00 0.00 H new ATOM 0 HB3 SER A 57 -23.325 -10.869 20.378 1.00 0.00 H new ATOM 0 HG SER A 57 -21.871 -11.475 22.072 1.00 0.00 H new ATOM 853 N ALA A 58 -19.855 -10.512 18.174 1.00 0.00 N ATOM 854 CA ALA A 58 -18.492 -10.062 17.867 1.00 0.00 C ATOM 855 C ALA A 58 -17.960 -9.116 18.958 1.00 0.00 C ATOM 856 O ALA A 58 -18.745 -8.510 19.689 1.00 0.00 O ATOM 857 CB ALA A 58 -18.491 -9.406 16.480 1.00 0.00 C ATOM 0 H ALA A 58 -20.572 -10.077 17.594 1.00 0.00 H new ATOM 0 HA ALA A 58 -17.816 -10.917 17.851 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.484 -9.067 16.239 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -18.818 -10.131 15.734 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -19.171 -8.554 16.480 1.00 0.00 H new ATOM 863 N GLU A 59 -16.640 -8.953 19.063 1.00 0.00 N ATOM 864 CA GLU A 59 -16.001 -8.127 20.099 1.00 0.00 C ATOM 865 C GLU A 59 -14.769 -7.402 19.545 1.00 0.00 C ATOM 866 O GLU A 59 -13.939 -8.021 18.886 1.00 0.00 O ATOM 867 CB GLU A 59 -15.623 -9.007 21.305 1.00 0.00 C ATOM 868 CG GLU A 59 -15.107 -8.200 22.504 1.00 0.00 C ATOM 869 CD GLU A 59 -14.838 -9.112 23.710 1.00 0.00 C ATOM 870 OE1 GLU A 59 -15.796 -9.756 24.201 1.00 0.00 O ATOM 871 OE2 GLU A 59 -13.677 -9.190 24.175 1.00 0.00 O ATOM 0 H GLU A 59 -15.975 -9.393 18.427 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.710 -7.366 20.425 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.495 -9.585 21.612 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.858 -9.721 21.000 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.191 -7.678 22.228 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.838 -7.439 22.776 1.00 0.00 H new ATOM 878 N VAL A 60 -14.632 -6.106 19.833 1.00 0.00 N ATOM 879 CA VAL A 60 -13.451 -5.307 19.462 1.00 0.00 C ATOM 880 C VAL A 60 -12.358 -5.504 20.516 1.00 0.00 C ATOM 881 O VAL A 60 -12.597 -5.303 21.706 1.00 0.00 O ATOM 882 CB VAL A 60 -13.785 -3.806 19.319 1.00 0.00 C ATOM 883 CG1 VAL A 60 -12.536 -2.990 18.933 1.00 0.00 C ATOM 884 CG2 VAL A 60 -14.870 -3.580 18.253 1.00 0.00 C ATOM 0 H VAL A 60 -15.342 -5.572 20.335 1.00 0.00 H new ATOM 0 HA VAL A 60 -13.102 -5.653 18.489 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.151 -3.469 20.289 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.804 -1.937 18.840 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.774 -3.104 19.704 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.146 -3.351 17.981 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.085 -2.514 18.173 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -14.518 -3.952 17.291 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.777 -4.113 18.538 1.00 0.00 H new ATOM 894 N LYS A 61 -11.158 -5.892 20.076 1.00 0.00 N ATOM 895 CA LYS A 61 -10.018 -6.288 20.920 1.00 0.00 C ATOM 896 C LYS A 61 -8.692 -5.637 20.455 1.00 0.00 C ATOM 897 O LYS A 61 -8.645 -4.961 19.423 1.00 0.00 O ATOM 898 CB LYS A 61 -9.940 -7.836 20.945 1.00 0.00 C ATOM 899 CG LYS A 61 -11.237 -8.484 21.474 1.00 0.00 C ATOM 900 CD LYS A 61 -11.130 -10.002 21.673 1.00 0.00 C ATOM 901 CE LYS A 61 -10.308 -10.342 22.926 1.00 0.00 C ATOM 902 NZ LYS A 61 -10.265 -11.810 23.180 1.00 0.00 N ATOM 0 H LYS A 61 -10.941 -5.942 19.081 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.175 -5.922 21.935 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.739 -8.203 19.939 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.102 -8.144 21.570 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.504 -8.020 22.423 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.048 -8.274 20.777 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.128 -10.431 21.762 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.666 -10.454 20.797 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.293 -9.964 22.808 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.738 -9.836 23.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.701 -11.998 24.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.232 -12.167 23.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.832 -12.291 22.366 1.00 0.00 H new ATOM 916 N ARG A 62 -7.618 -5.795 21.245 1.00 0.00 N ATOM 917 CA ARG A 62 -6.333 -5.096 21.050 1.00 0.00 C ATOM 918 C ARG A 62 -5.145 -5.905 21.591 1.00 0.00 C ATOM 919 O ARG A 62 -5.110 -6.187 22.788 1.00 0.00 O ATOM 920 CB ARG A 62 -6.445 -3.709 21.724 1.00 0.00 C ATOM 921 CG ARG A 62 -5.205 -2.802 21.608 1.00 0.00 C ATOM 922 CD ARG A 62 -4.179 -2.926 22.747 1.00 0.00 C ATOM 923 NE ARG A 62 -4.717 -2.440 24.035 1.00 0.00 N ATOM 924 CZ ARG A 62 -5.076 -3.146 25.106 1.00 0.00 C ATOM 925 NH1 ARG A 62 -5.099 -4.463 25.126 1.00 0.00 N ATOM 926 NH2 ARG A 62 -5.433 -2.513 26.201 1.00 0.00 N ATOM 0 H ARG A 62 -7.616 -6.421 22.050 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.137 -4.976 19.985 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.297 -3.184 21.291 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.665 -3.857 22.781 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.703 -3.023 20.666 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.539 -1.766 21.556 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.877 -3.968 22.851 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.284 -2.359 22.491 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.828 -1.429 24.114 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.834 -4.990 24.294 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.382 -4.955 25.973 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.433 -1.493 26.224 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.710 -3.041 27.028 1.00 0.00 H new ATOM 940 N GLU A 63 -4.133 -6.152 20.755 1.00 0.00 N ATOM 941 CA GLU A 63 -2.841 -6.787 21.090 1.00 0.00 C ATOM 942 C GLU A 63 -1.845 -6.657 19.924 1.00 0.00 C ATOM 943 O GLU A 63 -2.004 -5.774 19.080 1.00 0.00 O ATOM 944 CB GLU A 63 -3.012 -8.228 21.624 1.00 0.00 C ATOM 945 CG GLU A 63 -3.514 -9.267 20.616 1.00 0.00 C ATOM 946 CD GLU A 63 -3.839 -10.582 21.349 1.00 0.00 C ATOM 947 OE1 GLU A 63 -2.924 -11.157 21.988 1.00 0.00 O ATOM 948 OE2 GLU A 63 -5.011 -11.026 21.329 1.00 0.00 O ATOM 0 H GLU A 63 -4.190 -5.902 19.768 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.400 -6.241 21.924 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.052 -8.565 22.014 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.706 -8.202 22.464 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.402 -8.894 20.106 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.757 -9.442 19.852 1.00 0.00 H new ATOM 955 N ARG A 64 -0.784 -7.470 19.883 1.00 0.00 N ATOM 956 CA ARG A 64 0.277 -7.364 18.870 1.00 0.00 C ATOM 957 C ARG A 64 -0.020 -8.105 17.557 1.00 0.00 C ATOM 958 O ARG A 64 -0.616 -9.187 17.542 1.00 0.00 O ATOM 959 CB ARG A 64 1.632 -7.790 19.456 1.00 0.00 C ATOM 960 CG ARG A 64 2.147 -6.734 20.451 1.00 0.00 C ATOM 961 CD ARG A 64 3.596 -6.984 20.895 1.00 0.00 C ATOM 962 NE ARG A 64 4.531 -6.955 19.756 1.00 0.00 N ATOM 963 CZ ARG A 64 5.029 -5.907 19.118 1.00 0.00 C ATOM 964 NH1 ARG A 64 4.782 -4.661 19.470 1.00 0.00 N ATOM 965 NH2 ARG A 64 5.799 -6.155 18.087 1.00 0.00 N ATOM 0 H ARG A 64 -0.634 -8.224 20.553 1.00 0.00 H new ATOM 0 HA ARG A 64 0.319 -6.310 18.597 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.531 -8.752 19.958 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.356 -7.924 18.652 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.078 -5.747 19.993 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.501 -6.724 21.329 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.888 -6.228 21.624 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.661 -7.951 21.394 1.00 0.00 H new ATOM 0 HE ARG A 64 4.836 -7.866 19.413 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.180 -4.467 20.270 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.193 -3.891 18.942 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.988 -7.119 17.812 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.209 -5.384 17.560 1.00 0.00 H new ATOM 979 N LEU A 65 0.463 -7.538 16.444 1.00 0.00 N ATOM 980 CA LEU A 65 0.284 -8.027 15.069 1.00 0.00 C ATOM 981 C LEU A 65 0.658 -9.504 14.950 1.00 0.00 C ATOM 982 O LEU A 65 -0.163 -10.291 14.495 1.00 0.00 O ATOM 983 CB LEU A 65 1.137 -7.154 14.121 1.00 0.00 C ATOM 984 CG LEU A 65 1.057 -7.559 12.630 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.315 -7.223 12.028 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.148 -6.844 11.828 1.00 0.00 C ATOM 0 H LEU A 65 1.017 -6.683 16.479 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.767 -7.948 14.790 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.820 -6.116 14.220 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.178 -7.201 14.442 1.00 0.00 H new ATOM 0 HG LEU A 65 1.204 -8.638 12.575 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.335 -7.521 10.980 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.092 -7.759 12.573 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.493 -6.150 12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.081 -7.138 10.780 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.014 -5.766 11.912 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.127 -7.119 12.220 1.00 0.00 H new ATOM 998 N GLU A 66 1.852 -9.888 15.399 1.00 0.00 N ATOM 999 CA GLU A 66 2.357 -11.258 15.311 1.00 0.00 C ATOM 1000 C GLU A 66 1.442 -12.299 15.987 1.00 0.00 C ATOM 1001 O GLU A 66 1.356 -13.424 15.494 1.00 0.00 O ATOM 1002 CB GLU A 66 3.809 -11.344 15.829 1.00 0.00 C ATOM 1003 CG GLU A 66 4.064 -10.807 17.250 1.00 0.00 C ATOM 1004 CD GLU A 66 4.525 -9.338 17.276 1.00 0.00 C ATOM 1005 OE1 GLU A 66 3.902 -8.492 16.599 1.00 0.00 O ATOM 1006 OE2 GLU A 66 5.485 -9.009 18.012 1.00 0.00 O ATOM 0 H GLU A 66 2.508 -9.244 15.842 1.00 0.00 H new ATOM 0 HA GLU A 66 2.355 -11.519 14.253 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.121 -12.388 15.797 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.451 -10.798 15.138 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.150 -10.903 17.836 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.820 -11.426 17.734 1.00 0.00 H new ATOM 1013 N ASP A 67 0.699 -11.935 17.045 1.00 0.00 N ATOM 1014 CA ASP A 67 -0.292 -12.835 17.656 1.00 0.00 C ATOM 1015 C ASP A 67 -1.603 -12.828 16.851 1.00 0.00 C ATOM 1016 O ASP A 67 -2.141 -13.887 16.526 1.00 0.00 O ATOM 1017 CB ASP A 67 -0.544 -12.442 19.116 1.00 0.00 C ATOM 1018 CG ASP A 67 -1.295 -13.563 19.857 1.00 0.00 C ATOM 1019 OD1 ASP A 67 -2.528 -13.699 19.678 1.00 0.00 O ATOM 1020 OD2 ASP A 67 -0.633 -14.331 20.597 1.00 0.00 O ATOM 0 H ASP A 67 0.766 -11.022 17.495 1.00 0.00 H new ATOM 0 HA ASP A 67 0.107 -13.849 17.640 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.405 -12.242 19.613 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.125 -11.520 19.155 1.00 0.00 H new ATOM 1025 N VAL A 68 -2.083 -11.639 16.462 1.00 0.00 N ATOM 1026 CA VAL A 68 -3.303 -11.490 15.645 1.00 0.00 C ATOM 1027 C VAL A 68 -3.175 -12.175 14.283 1.00 0.00 C ATOM 1028 O VAL A 68 -4.144 -12.750 13.800 1.00 0.00 O ATOM 1029 CB VAL A 68 -3.740 -10.014 15.503 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -5.013 -9.852 14.651 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -4.022 -9.430 16.896 1.00 0.00 C ATOM 0 H VAL A 68 -1.640 -10.752 16.703 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.097 -12.004 16.187 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.926 -9.488 15.004 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.274 -8.796 14.584 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.834 -10.245 13.650 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.833 -10.400 15.114 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.330 -8.389 16.799 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.817 -10.001 17.376 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.119 -9.485 17.503 1.00 0.00 H new ATOM 1041 N VAL A 69 -1.981 -12.182 13.701 1.00 0.00 N ATOM 1042 CA VAL A 69 -1.691 -12.845 12.427 1.00 0.00 C ATOM 1043 C VAL A 69 -1.433 -14.343 12.630 1.00 0.00 C ATOM 1044 O VAL A 69 -1.977 -15.146 11.879 1.00 0.00 O ATOM 1045 CB VAL A 69 -0.513 -12.134 11.732 1.00 0.00 C ATOM 1046 CG1 VAL A 69 -0.048 -12.865 10.469 1.00 0.00 C ATOM 1047 CG2 VAL A 69 -0.941 -10.703 11.359 1.00 0.00 C ATOM 0 H VAL A 69 -1.168 -11.718 14.107 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.561 -12.770 11.774 1.00 0.00 H new ATOM 0 HB VAL A 69 0.324 -12.124 12.430 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.783 -12.322 10.019 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.276 -13.872 10.730 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.872 -12.922 9.757 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.113 -10.192 10.867 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.796 -10.743 10.684 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.217 -10.159 12.262 1.00 0.00 H new ATOM 1057 N GLY A 70 -0.630 -14.743 13.628 1.00 0.00 N ATOM 1058 CA GLY A 70 -0.438 -16.158 13.991 1.00 0.00 C ATOM 1059 C GLY A 70 0.203 -17.024 12.897 1.00 0.00 C ATOM 1060 O GLY A 70 -0.014 -18.236 12.875 1.00 0.00 O ATOM 0 H GLY A 70 -0.095 -14.096 14.207 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.184 -16.208 14.885 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.406 -16.586 14.252 1.00 0.00 H new ATOM 1064 N GLY A 71 0.941 -16.408 11.962 1.00 0.00 N ATOM 1065 CA GLY A 71 1.537 -17.062 10.782 1.00 0.00 C ATOM 1066 C GLY A 71 0.659 -17.053 9.519 1.00 0.00 C ATOM 1067 O GLY A 71 1.072 -17.610 8.500 1.00 0.00 O ATOM 0 H GLY A 71 1.147 -15.410 12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.482 -16.571 10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.769 -18.096 11.037 1.00 0.00 H new ATOM 1071 N CYS A 72 -0.528 -16.432 9.559 1.00 0.00 N ATOM 1072 CA CYS A 72 -1.415 -16.256 8.397 1.00 0.00 C ATOM 1073 C CYS A 72 -0.879 -15.217 7.384 1.00 0.00 C ATOM 1074 O CYS A 72 0.071 -14.479 7.657 1.00 0.00 O ATOM 1075 CB CYS A 72 -2.824 -15.856 8.887 1.00 0.00 C ATOM 1076 SG CYS A 72 -3.529 -17.143 9.966 1.00 0.00 S ATOM 0 H CYS A 72 -0.907 -16.030 10.416 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.458 -17.208 7.867 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.770 -14.912 9.429 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.479 -15.695 8.031 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.226 -16.886 11.204 1.00 0.00 H new ATOM 1082 N CYS A 73 -1.527 -15.130 6.215 1.00 0.00 N ATOM 1083 CA CYS A 73 -1.294 -14.057 5.238 1.00 0.00 C ATOM 1084 C CYS A 73 -2.020 -12.759 5.651 1.00 0.00 C ATOM 1085 O CYS A 73 -3.065 -12.800 6.304 1.00 0.00 O ATOM 1086 CB CYS A 73 -1.733 -14.536 3.844 1.00 0.00 C ATOM 1087 SG CYS A 73 -0.650 -15.884 3.284 1.00 0.00 S ATOM 0 H CYS A 73 -2.231 -15.805 5.918 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.230 -13.824 5.208 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.767 -14.878 3.877 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.693 -13.708 3.136 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.029 -16.284 2.107 1.00 0.00 H new ATOM 1093 N TYR A 74 -1.485 -11.607 5.238 1.00 0.00 N ATOM 1094 CA TYR A 74 -2.075 -10.280 5.482 1.00 0.00 C ATOM 1095 C TYR A 74 -1.577 -9.202 4.500 1.00 0.00 C ATOM 1096 O TYR A 74 -0.613 -9.436 3.765 1.00 0.00 O ATOM 1097 CB TYR A 74 -1.857 -9.851 6.950 1.00 0.00 C ATOM 1098 CG TYR A 74 -0.424 -9.588 7.379 1.00 0.00 C ATOM 1099 CD1 TYR A 74 0.425 -10.667 7.690 1.00 0.00 C ATOM 1100 CD2 TYR A 74 0.049 -8.267 7.522 1.00 0.00 C ATOM 1101 CE1 TYR A 74 1.730 -10.433 8.160 1.00 0.00 C ATOM 1102 CE2 TYR A 74 1.353 -8.026 7.996 1.00 0.00 C ATOM 1103 CZ TYR A 74 2.193 -9.112 8.331 1.00 0.00 C ATOM 1104 OH TYR A 74 3.450 -8.903 8.803 1.00 0.00 O ATOM 0 H TYR A 74 -0.611 -11.566 4.713 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.146 -10.374 5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.437 -8.946 7.130 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.268 -10.627 7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.072 -11.680 7.567 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.592 -7.436 7.267 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.378 -11.266 8.390 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.711 -7.013 8.103 1.00 0.00 H new ATOM 0 HH TYR A 74 3.748 -8.004 8.552 1.00 0.00 H new ATOM 1114 N ARG A 75 -2.209 -8.018 4.502 1.00 0.00 N ATOM 1115 CA ARG A 75 -1.860 -6.845 3.665 1.00 0.00 C ATOM 1116 C ARG A 75 -2.607 -5.584 4.146 1.00 0.00 C ATOM 1117 O ARG A 75 -3.703 -5.712 4.684 1.00 0.00 O ATOM 1118 CB ARG A 75 -2.216 -7.163 2.187 1.00 0.00 C ATOM 1119 CG ARG A 75 -1.536 -6.285 1.121 1.00 0.00 C ATOM 1120 CD ARG A 75 -0.015 -6.486 1.067 1.00 0.00 C ATOM 1121 NE ARG A 75 0.582 -5.773 -0.078 1.00 0.00 N ATOM 1122 CZ ARG A 75 1.876 -5.731 -0.384 1.00 0.00 C ATOM 1123 NH1 ARG A 75 2.793 -6.305 0.367 1.00 0.00 N ATOM 1124 NH2 ARG A 75 2.266 -5.095 -1.466 1.00 0.00 N ATOM 0 H ARG A 75 -3.009 -7.838 5.108 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.792 -6.644 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.959 -8.204 1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.296 -7.073 2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.963 -6.512 0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.752 -5.237 1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.434 -6.129 1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.211 -7.550 0.993 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.056 -5.266 -0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.520 -6.802 1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.776 -6.252 0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.578 -4.638 -2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.256 -5.059 -1.707 1.00 0.00 H new ATOM 1138 N VAL A 76 -2.058 -4.376 3.948 1.00 0.00 N ATOM 1139 CA VAL A 76 -2.802 -3.113 4.178 1.00 0.00 C ATOM 1140 C VAL A 76 -3.601 -2.737 2.927 1.00 0.00 C ATOM 1141 O VAL A 76 -3.106 -2.829 1.806 1.00 0.00 O ATOM 1142 CB VAL A 76 -1.908 -1.938 4.649 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -2.608 -0.561 4.712 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -1.372 -2.237 6.057 1.00 0.00 C ATOM 0 H VAL A 76 -1.099 -4.240 3.628 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.489 -3.301 5.003 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.123 -1.866 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.898 0.193 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.974 -0.293 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.446 -0.610 5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.743 -1.411 6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.208 -2.357 6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.785 -3.155 6.035 1.00 0.00 H new ATOM 1154 N ASN A 77 -4.838 -2.291 3.148 1.00 0.00 N ATOM 1155 CA ASN A 77 -5.800 -1.863 2.133 1.00 0.00 C ATOM 1156 C ASN A 77 -6.879 -1.007 2.810 1.00 0.00 C ATOM 1157 O ASN A 77 -7.713 -1.524 3.550 1.00 0.00 O ATOM 1158 CB ASN A 77 -6.411 -3.104 1.456 1.00 0.00 C ATOM 1159 CG ASN A 77 -7.614 -2.794 0.561 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -7.797 -1.691 0.057 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -8.476 -3.771 0.353 1.00 0.00 N ATOM 0 H ASN A 77 -5.216 -2.215 4.092 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.311 -1.265 1.364 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.643 -3.595 0.858 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.717 -3.812 2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.298 -3.610 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.320 -4.687 0.774 1.00 0.00 H new ATOM 1168 N ASN A 78 -6.880 0.304 2.571 1.00 0.00 N ATOM 1169 CA ASN A 78 -7.825 1.212 3.226 1.00 0.00 C ATOM 1170 C ASN A 78 -9.192 1.261 2.526 1.00 0.00 C ATOM 1171 O ASN A 78 -10.221 1.471 3.168 1.00 0.00 O ATOM 1172 CB ASN A 78 -7.209 2.611 3.278 1.00 0.00 C ATOM 1173 CG ASN A 78 -7.900 3.448 4.340 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -9.015 3.918 4.152 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -7.280 3.613 5.491 1.00 0.00 N ATOM 0 H ASN A 78 -6.236 0.763 1.927 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.008 0.834 4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.144 2.539 3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.303 3.094 2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.729 4.139 6.241 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -6.351 3.215 5.632 1.00 0.00 H new ATOM 1182 N SER A 79 -9.195 1.107 1.202 1.00 0.00 N ATOM 1183 CA SER A 79 -10.323 1.169 0.265 1.00 0.00 C ATOM 1184 C SER A 79 -10.818 2.603 0.003 1.00 0.00 C ATOM 1185 O SER A 79 -10.888 3.023 -1.152 1.00 0.00 O ATOM 1186 CB SER A 79 -11.434 0.219 0.721 1.00 0.00 C ATOM 1187 OG SER A 79 -12.369 -0.021 -0.317 1.00 0.00 O ATOM 0 H SER A 79 -8.323 0.917 0.708 1.00 0.00 H new ATOM 0 HA SER A 79 -9.969 0.828 -0.708 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.997 -0.726 1.044 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.947 0.644 1.583 1.00 0.00 H new ATOM 0 HG SER A 79 -13.065 -0.632 0.004 1.00 0.00 H new ATOM 1193 N LEU A 80 -11.098 3.377 1.060 1.00 0.00 N ATOM 1194 CA LEU A 80 -11.688 4.726 0.949 1.00 0.00 C ATOM 1195 C LEU A 80 -10.670 5.869 0.996 1.00 0.00 C ATOM 1196 O LEU A 80 -10.837 6.852 0.281 1.00 0.00 O ATOM 1197 CB LEU A 80 -12.791 4.916 2.006 1.00 0.00 C ATOM 1198 CG LEU A 80 -13.987 3.948 1.879 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -15.089 4.391 2.853 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -14.559 3.887 0.452 1.00 0.00 C ATOM 0 H LEU A 80 -10.922 3.088 2.022 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.126 4.781 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.350 4.797 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.162 5.939 1.943 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.628 2.948 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.940 3.714 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -14.704 4.370 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -15.407 5.404 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.397 3.190 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.901 4.878 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.784 3.549 -0.236 1.00 0.00 H new ATOM 1212 N ASP A 81 -9.571 5.735 1.744 1.00 0.00 N ATOM 1213 CA ASP A 81 -8.458 6.700 1.684 1.00 0.00 C ATOM 1214 C ASP A 81 -7.824 6.782 0.280 1.00 0.00 C ATOM 1215 O ASP A 81 -7.290 7.816 -0.117 1.00 0.00 O ATOM 1216 CB ASP A 81 -7.417 6.325 2.740 1.00 0.00 C ATOM 1217 CG ASP A 81 -6.345 7.407 2.898 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -6.589 8.353 3.683 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -5.240 7.259 2.322 1.00 0.00 O ATOM 0 H ASP A 81 -9.424 4.968 2.400 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.853 7.694 1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.913 6.164 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.943 5.383 2.464 1.00 0.00 H new ATOM 1224 N HIS A 82 -7.940 5.701 -0.501 1.00 0.00 N ATOM 1225 CA HIS A 82 -7.515 5.644 -1.903 1.00 0.00 C ATOM 1226 C HIS A 82 -8.482 6.389 -2.859 1.00 0.00 C ATOM 1227 O HIS A 82 -8.119 6.661 -4.007 1.00 0.00 O ATOM 1228 CB HIS A 82 -7.372 4.166 -2.316 1.00 0.00 C ATOM 1229 CG HIS A 82 -6.629 3.281 -1.336 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -5.547 3.627 -0.554 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -6.935 1.981 -1.038 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -5.223 2.564 0.205 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -6.053 1.536 -0.044 1.00 0.00 N ATOM 0 H HIS A 82 -8.340 4.824 -0.168 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.557 6.157 -1.987 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -8.369 3.752 -2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.859 4.124 -3.277 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -5.075 4.531 -0.551 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.722 1.397 -1.492 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.410 2.540 0.915 1.00 0.00 H new ATOM 1241 N GLU A 83 -9.697 6.727 -2.400 1.00 0.00 N ATOM 1242 CA GLU A 83 -10.711 7.468 -3.161 1.00 0.00 C ATOM 1243 C GLU A 83 -10.684 8.974 -2.857 1.00 0.00 C ATOM 1244 O GLU A 83 -10.910 9.792 -3.754 1.00 0.00 O ATOM 1245 CB GLU A 83 -12.120 6.915 -2.869 1.00 0.00 C ATOM 1246 CG GLU A 83 -12.348 5.482 -3.366 1.00 0.00 C ATOM 1247 CD GLU A 83 -12.362 5.402 -4.901 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -13.354 5.848 -5.527 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -11.392 4.877 -5.499 1.00 0.00 O ATOM 0 H GLU A 83 -10.009 6.484 -1.460 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.471 7.332 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.295 6.947 -1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.858 7.570 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.563 4.834 -2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.294 5.108 -2.975 1.00 0.00 H new ATOM 1256 N TYR A 84 -10.383 9.343 -1.606 1.00 0.00 N ATOM 1257 CA TYR A 84 -10.473 10.709 -1.057 1.00 0.00 C ATOM 1258 C TYR A 84 -9.879 10.821 0.364 1.00 0.00 C ATOM 1259 O TYR A 84 -9.697 9.806 1.035 1.00 0.00 O ATOM 1260 CB TYR A 84 -11.942 11.201 -1.094 1.00 0.00 C ATOM 1261 CG TYR A 84 -13.003 10.191 -0.667 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -13.125 9.801 0.682 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -13.867 9.632 -1.630 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -14.089 8.850 1.068 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -14.832 8.680 -1.253 1.00 0.00 C ATOM 1266 CZ TYR A 84 -14.947 8.284 0.098 1.00 0.00 C ATOM 1267 OH TYR A 84 -15.885 7.368 0.457 1.00 0.00 O ATOM 0 H TYR A 84 -10.055 8.669 -0.914 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.866 11.357 -1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -12.026 12.078 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.168 11.527 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -12.474 10.235 1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.788 9.936 -2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -14.173 8.554 2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.486 8.251 -1.998 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.387 7.086 -0.336 1.00 0.00 H new ATOM 1277 N GLN A 85 -9.648 12.063 0.826 1.00 0.00 N ATOM 1278 CA GLN A 85 -9.372 12.529 2.203 1.00 0.00 C ATOM 1279 C GLN A 85 -7.873 12.558 2.610 1.00 0.00 C ATOM 1280 O GLN A 85 -7.081 11.780 2.070 1.00 0.00 O ATOM 1281 CB GLN A 85 -10.270 11.790 3.216 1.00 0.00 C ATOM 1282 CG GLN A 85 -9.652 10.576 3.953 1.00 0.00 C ATOM 1283 CD GLN A 85 -10.659 9.467 4.257 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -11.147 9.314 5.368 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -11.019 8.651 3.291 1.00 0.00 N ATOM 0 H GLN A 85 -9.650 12.850 0.178 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.639 13.586 2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.597 12.510 3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -11.162 11.449 2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.845 10.166 3.346 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.207 10.917 4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.624 8.761 2.357 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.693 7.908 3.476 1.00 0.00 H new ATOM 1294 N PRO A 86 -7.478 13.420 3.580 1.00 0.00 N ATOM 1295 CA PRO A 86 -6.134 13.445 4.166 1.00 0.00 C ATOM 1296 C PRO A 86 -5.965 12.477 5.354 1.00 0.00 C ATOM 1297 O PRO A 86 -4.865 11.965 5.557 1.00 0.00 O ATOM 1298 CB PRO A 86 -5.936 14.893 4.626 1.00 0.00 C ATOM 1299 CG PRO A 86 -7.342 15.336 5.025 1.00 0.00 C ATOM 1300 CD PRO A 86 -8.245 14.573 4.051 1.00 0.00 C ATOM 0 HA PRO A 86 -5.395 13.118 3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.242 14.956 5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.530 15.516 3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.564 15.082 6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.466 16.414 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.162 14.252 4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.538 15.209 3.216 1.00 0.00 H new ATOM 1308 N ARG A 87 -7.044 12.245 6.127 1.00 0.00 N ATOM 1309 CA ARG A 87 -7.186 11.300 7.245 1.00 0.00 C ATOM 1310 C ARG A 87 -6.402 11.691 8.529 1.00 0.00 C ATOM 1311 O ARG A 87 -5.170 11.615 8.543 1.00 0.00 O ATOM 1312 CB ARG A 87 -6.862 9.880 6.748 1.00 0.00 C ATOM 1313 CG ARG A 87 -7.482 8.835 7.678 1.00 0.00 C ATOM 1314 CD ARG A 87 -7.493 7.404 7.134 1.00 0.00 C ATOM 1315 NE ARG A 87 -6.252 6.667 7.456 1.00 0.00 N ATOM 1316 CZ ARG A 87 -5.108 6.637 6.776 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -4.920 7.291 5.655 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -4.108 5.924 7.241 1.00 0.00 N ATOM 0 H ARG A 87 -7.911 12.759 5.969 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.225 11.337 7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.243 9.747 5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.782 9.741 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.938 8.844 8.622 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.508 9.131 7.899 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.348 6.868 7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.626 7.431 6.052 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.276 6.109 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.672 7.858 5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.022 7.232 5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.214 5.403 8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.225 5.891 6.732 1.00 0.00 H new ATOM 1332 N PRO A 88 -7.088 12.053 9.643 1.00 0.00 N ATOM 1333 CA PRO A 88 -6.449 12.405 10.913 1.00 0.00 C ATOM 1334 C PRO A 88 -6.059 11.134 11.685 1.00 0.00 C ATOM 1335 O PRO A 88 -6.840 10.602 12.472 1.00 0.00 O ATOM 1336 CB PRO A 88 -7.479 13.272 11.649 1.00 0.00 C ATOM 1337 CG PRO A 88 -8.811 12.681 11.199 1.00 0.00 C ATOM 1338 CD PRO A 88 -8.527 12.287 9.748 1.00 0.00 C ATOM 0 HA PRO A 88 -5.516 12.954 10.788 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.356 13.213 12.731 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.391 14.323 11.375 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.098 11.821 11.804 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.621 13.406 11.271 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.084 11.391 9.476 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.840 13.077 9.065 1.00 0.00 H new ATOM 1346 N VAL A 89 -4.839 10.644 11.448 1.00 0.00 N ATOM 1347 CA VAL A 89 -4.333 9.358 11.974 1.00 0.00 C ATOM 1348 C VAL A 89 -4.454 9.261 13.501 1.00 0.00 C ATOM 1349 O VAL A 89 -4.858 8.221 14.013 1.00 0.00 O ATOM 1350 CB VAL A 89 -2.874 9.130 11.495 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -2.073 8.122 12.338 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -2.890 8.670 10.026 1.00 0.00 C ATOM 0 H VAL A 89 -4.155 11.136 10.873 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.960 8.561 11.574 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.365 10.087 11.611 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.066 8.026 11.931 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.016 8.474 13.368 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.569 7.152 12.313 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.868 8.508 9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.452 7.740 9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.362 9.436 9.410 1.00 0.00 H new ATOM 1362 N GLU A 90 -4.175 10.345 14.227 1.00 0.00 N ATOM 1363 CA GLU A 90 -4.201 10.376 15.693 1.00 0.00 C ATOM 1364 C GLU A 90 -5.630 10.235 16.227 1.00 0.00 C ATOM 1365 O GLU A 90 -5.882 9.478 17.164 1.00 0.00 O ATOM 1366 CB GLU A 90 -3.614 11.708 16.203 1.00 0.00 C ATOM 1367 CG GLU A 90 -2.138 11.971 15.867 1.00 0.00 C ATOM 1368 CD GLU A 90 -1.833 12.220 14.376 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -2.727 12.667 13.619 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -0.680 11.962 13.957 1.00 0.00 O ATOM 0 H GLU A 90 -3.921 11.240 13.808 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.604 9.537 16.051 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.209 12.524 15.793 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.730 11.741 17.286 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.801 12.836 16.439 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.549 11.118 16.203 1.00 0.00 H new ATOM 1377 N VAL A 91 -6.582 10.933 15.604 1.00 0.00 N ATOM 1378 CA VAL A 91 -7.999 10.942 16.016 1.00 0.00 C ATOM 1379 C VAL A 91 -8.666 9.611 15.649 1.00 0.00 C ATOM 1380 O VAL A 91 -9.529 9.128 16.378 1.00 0.00 O ATOM 1381 CB VAL A 91 -8.733 12.155 15.393 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -10.219 12.217 15.778 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -8.050 13.471 15.817 1.00 0.00 C ATOM 0 H VAL A 91 -6.395 11.517 14.789 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.059 11.049 17.099 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.674 12.026 14.312 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.680 13.088 15.312 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.722 11.313 15.435 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.311 12.294 16.861 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.577 14.315 15.371 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.075 13.560 16.903 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.014 13.470 15.477 1.00 0.00 H new ATOM 1393 N ILE A 92 -8.216 8.963 14.568 1.00 0.00 N ATOM 1394 CA ILE A 92 -8.663 7.619 14.155 1.00 0.00 C ATOM 1395 C ILE A 92 -8.078 6.523 15.056 1.00 0.00 C ATOM 1396 O ILE A 92 -8.829 5.657 15.494 1.00 0.00 O ATOM 1397 CB ILE A 92 -8.388 7.455 12.642 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -9.474 8.285 11.913 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -8.381 5.981 12.182 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -9.166 8.582 10.450 1.00 0.00 C ATOM 0 H ILE A 92 -7.517 9.362 13.941 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.738 7.506 14.294 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.387 7.813 12.402 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.422 7.750 11.970 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.608 9.229 12.442 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.183 5.935 11.111 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.604 5.436 12.719 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.351 5.530 12.391 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.979 9.167 10.019 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.236 9.147 10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.063 7.645 9.902 1.00 0.00 H new ATOM 1412 N ILE A 93 -6.801 6.602 15.451 1.00 0.00 N ATOM 1413 CA ILE A 93 -6.228 5.700 16.476 1.00 0.00 C ATOM 1414 C ILE A 93 -6.902 5.921 17.838 1.00 0.00 C ATOM 1415 O ILE A 93 -7.163 4.969 18.565 1.00 0.00 O ATOM 1416 CB ILE A 93 -4.689 5.875 16.521 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -4.062 5.259 15.243 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -4.075 5.235 17.785 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -2.577 5.591 15.054 1.00 0.00 C ATOM 0 H ILE A 93 -6.138 7.282 15.079 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.428 4.663 16.208 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.468 6.942 16.561 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.180 4.176 15.279 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.616 5.611 14.373 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.995 5.380 17.778 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.498 5.705 18.673 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.298 4.168 17.798 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.213 5.124 14.139 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.452 6.672 14.984 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.009 5.214 15.904 1.00 0.00 H new ATOM 1431 N SER A 94 -7.244 7.161 18.179 1.00 0.00 N ATOM 1432 CA SER A 94 -7.960 7.483 19.426 1.00 0.00 C ATOM 1433 C SER A 94 -9.387 6.910 19.416 1.00 0.00 C ATOM 1434 O SER A 94 -9.846 6.323 20.394 1.00 0.00 O ATOM 1435 CB SER A 94 -7.985 9.002 19.658 1.00 0.00 C ATOM 1436 OG SER A 94 -6.673 9.546 19.722 1.00 0.00 O ATOM 0 H SER A 94 -7.036 7.977 17.603 1.00 0.00 H new ATOM 0 HA SER A 94 -7.421 7.016 20.251 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.540 9.484 18.853 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.515 9.220 20.585 1.00 0.00 H new ATOM 0 HG SER A 94 -6.394 9.833 18.827 1.00 0.00 H new ATOM 1442 N SER A 95 -10.077 7.010 18.276 1.00 0.00 N ATOM 1443 CA SER A 95 -11.400 6.421 18.052 1.00 0.00 C ATOM 1444 C SER A 95 -11.357 4.887 18.123 1.00 0.00 C ATOM 1445 O SER A 95 -12.213 4.270 18.761 1.00 0.00 O ATOM 1446 CB SER A 95 -11.930 6.870 16.681 1.00 0.00 C ATOM 1447 OG SER A 95 -12.212 8.262 16.658 1.00 0.00 O ATOM 0 H SER A 95 -9.722 7.515 17.464 1.00 0.00 H new ATOM 0 HA SER A 95 -12.067 6.768 18.841 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.195 6.635 15.912 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.834 6.311 16.439 1.00 0.00 H new ATOM 0 HG SER A 95 -11.377 8.763 16.548 1.00 0.00 H new ATOM 1453 N ALA A 96 -10.326 4.271 17.533 1.00 0.00 N ATOM 1454 CA ALA A 96 -10.081 2.836 17.621 1.00 0.00 C ATOM 1455 C ALA A 96 -9.885 2.389 19.077 1.00 0.00 C ATOM 1456 O ALA A 96 -10.566 1.474 19.536 1.00 0.00 O ATOM 1457 CB ALA A 96 -8.877 2.510 16.727 1.00 0.00 C ATOM 0 H ALA A 96 -9.631 4.767 16.974 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.947 2.277 17.266 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.669 1.441 16.772 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.100 2.793 15.698 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.005 3.064 17.074 1.00 0.00 H new ATOM 1463 N LYS A 97 -9.021 3.071 19.842 1.00 0.00 N ATOM 1464 CA LYS A 97 -8.835 2.798 21.273 1.00 0.00 C ATOM 1465 C LYS A 97 -10.153 2.905 22.066 1.00 0.00 C ATOM 1466 O LYS A 97 -10.470 1.995 22.834 1.00 0.00 O ATOM 1467 CB LYS A 97 -7.733 3.706 21.850 1.00 0.00 C ATOM 1468 CG LYS A 97 -6.333 3.244 21.401 1.00 0.00 C ATOM 1469 CD LYS A 97 -5.192 4.031 22.063 1.00 0.00 C ATOM 1470 CE LYS A 97 -5.242 5.535 21.748 1.00 0.00 C ATOM 1471 NZ LYS A 97 -4.066 6.254 22.318 1.00 0.00 N ATOM 0 H LYS A 97 -8.433 3.825 19.487 1.00 0.00 H new ATOM 0 HA LYS A 97 -8.509 1.763 21.378 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.900 4.734 21.527 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.788 3.701 22.939 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.216 2.185 21.632 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.254 3.345 20.319 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.238 3.889 23.143 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.237 3.626 21.729 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.270 5.681 20.668 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.161 5.962 22.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.132 7.266 22.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.054 6.135 23.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.191 5.863 21.914 1.00 0.00 H new ATOM 1485 N GLU A 98 -10.976 3.929 21.815 1.00 0.00 N ATOM 1486 CA GLU A 98 -12.282 4.097 22.470 1.00 0.00 C ATOM 1487 C GLU A 98 -13.247 2.927 22.206 1.00 0.00 C ATOM 1488 O GLU A 98 -14.034 2.574 23.087 1.00 0.00 O ATOM 1489 CB GLU A 98 -12.934 5.424 22.047 1.00 0.00 C ATOM 1490 CG GLU A 98 -12.298 6.655 22.706 1.00 0.00 C ATOM 1491 CD GLU A 98 -12.626 6.741 24.205 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -13.739 7.199 24.560 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -11.771 6.360 25.040 1.00 0.00 O ATOM 0 H GLU A 98 -10.756 4.669 21.149 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.086 4.111 23.542 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -12.865 5.525 20.964 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.994 5.395 22.297 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.217 6.619 22.573 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.651 7.557 22.206 1.00 0.00 H new ATOM 1500 N MET A 99 -13.157 2.275 21.039 1.00 0.00 N ATOM 1501 CA MET A 99 -13.940 1.066 20.720 1.00 0.00 C ATOM 1502 C MET A 99 -13.459 -0.210 21.442 1.00 0.00 C ATOM 1503 O MET A 99 -14.224 -1.173 21.510 1.00 0.00 O ATOM 1504 CB MET A 99 -13.977 0.811 19.201 1.00 0.00 C ATOM 1505 CG MET A 99 -14.782 1.864 18.431 1.00 0.00 C ATOM 1506 SD MET A 99 -14.985 1.497 16.663 1.00 0.00 S ATOM 1507 CE MET A 99 -16.274 0.224 16.745 1.00 0.00 C ATOM 0 H MET A 99 -12.537 2.570 20.284 1.00 0.00 H new ATOM 0 HA MET A 99 -14.943 1.278 21.090 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.957 0.791 18.818 1.00 0.00 H new ATOM 0 HB3 MET A 99 -14.407 -0.173 19.015 1.00 0.00 H new ATOM 0 HG2 MET A 99 -15.768 1.957 18.887 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.289 2.831 18.536 1.00 0.00 H new ATOM 0 HE1 MET A 99 -16.038 -0.578 16.046 1.00 0.00 H new ATOM 0 HE2 MET A 99 -16.324 -0.179 17.757 1.00 0.00 H new ATOM 0 HE3 MET A 99 -17.236 0.663 16.482 1.00 0.00 H new ATOM 1517 N VAL A 100 -12.237 -0.265 21.984 1.00 0.00 N ATOM 1518 CA VAL A 100 -11.690 -1.492 22.602 1.00 0.00 C ATOM 1519 C VAL A 100 -12.573 -1.949 23.767 1.00 0.00 C ATOM 1520 O VAL A 100 -12.857 -1.188 24.693 1.00 0.00 O ATOM 1521 CB VAL A 100 -10.219 -1.360 23.059 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -9.690 -2.647 23.719 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -9.319 -1.065 21.853 1.00 0.00 C ATOM 0 H VAL A 100 -11.599 0.530 22.010 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.696 -2.249 21.818 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.196 -0.549 23.787 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.653 -2.501 24.021 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.294 -2.881 24.596 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.748 -3.471 23.008 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.285 -0.974 22.185 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.398 -1.879 21.132 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.633 -0.133 21.384 1.00 0.00 H new ATOM 1533 N GLY A 101 -12.991 -3.215 23.691 1.00 0.00 N ATOM 1534 CA GLY A 101 -13.855 -3.887 24.662 1.00 0.00 C ATOM 1535 C GLY A 101 -15.341 -3.887 24.299 1.00 0.00 C ATOM 1536 O GLY A 101 -16.109 -4.539 25.008 1.00 0.00 O ATOM 0 H GLY A 101 -12.725 -3.825 22.918 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.521 -4.919 24.773 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.731 -3.406 25.632 1.00 0.00 H new ATOM 1540 N GLN A 102 -15.773 -3.197 23.231 1.00 0.00 N ATOM 1541 CA GLN A 102 -17.180 -3.200 22.831 1.00 0.00 C ATOM 1542 C GLN A 102 -17.556 -4.483 22.083 1.00 0.00 C ATOM 1543 O GLN A 102 -16.752 -5.079 21.364 1.00 0.00 O ATOM 1544 CB GLN A 102 -17.584 -1.934 22.038 1.00 0.00 C ATOM 1545 CG GLN A 102 -17.350 -1.928 20.507 1.00 0.00 C ATOM 1546 CD GLN A 102 -18.295 -0.946 19.817 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -18.001 0.231 19.655 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -19.475 -1.384 19.415 1.00 0.00 N ATOM 0 H GLN A 102 -15.167 -2.634 22.634 1.00 0.00 H new ATOM 0 HA GLN A 102 -17.758 -3.178 23.755 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -18.645 -1.754 22.214 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -17.043 -1.088 22.462 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.316 -1.656 20.294 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -17.505 -2.930 20.107 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -19.727 -2.364 19.547 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -20.134 -0.743 18.973 1.00 0.00 H new ATOM 1557 N LYS A 103 -18.826 -4.852 22.212 1.00 0.00 N ATOM 1558 CA LYS A 103 -19.480 -5.898 21.426 1.00 0.00 C ATOM 1559 C LYS A 103 -20.045 -5.312 20.119 1.00 0.00 C ATOM 1560 O LYS A 103 -20.294 -4.106 20.024 1.00 0.00 O ATOM 1561 CB LYS A 103 -20.600 -6.560 22.253 1.00 0.00 C ATOM 1562 CG LYS A 103 -20.126 -7.337 23.487 1.00 0.00 C ATOM 1563 CD LYS A 103 -19.230 -8.529 23.123 1.00 0.00 C ATOM 1564 CE LYS A 103 -19.301 -9.545 24.265 1.00 0.00 C ATOM 1565 NZ LYS A 103 -18.407 -10.711 24.043 1.00 0.00 N ATOM 0 H LYS A 103 -19.452 -4.417 22.890 1.00 0.00 H new ATOM 0 HA LYS A 103 -18.742 -6.658 21.169 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -21.297 -5.787 22.576 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -21.155 -7.240 21.606 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -19.579 -6.664 24.148 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -20.993 -7.695 24.042 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -19.561 -8.983 22.189 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -18.202 -8.200 22.970 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -19.030 -9.056 25.200 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -20.328 -9.894 24.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.439 -11.336 24.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -18.723 -11.235 23.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -17.432 -10.378 23.898 1.00 0.00 H new ATOM 1579 N MET A 104 -20.262 -6.163 19.115 1.00 0.00 N ATOM 1580 CA MET A 104 -20.871 -5.820 17.815 1.00 0.00 C ATOM 1581 C MET A 104 -21.756 -6.970 17.304 1.00 0.00 C ATOM 1582 O MET A 104 -21.474 -8.139 17.566 1.00 0.00 O ATOM 1583 CB MET A 104 -19.784 -5.452 16.779 1.00 0.00 C ATOM 1584 CG MET A 104 -18.840 -4.339 17.265 1.00 0.00 C ATOM 1585 SD MET A 104 -17.712 -3.681 16.016 1.00 0.00 S ATOM 1586 CE MET A 104 -18.827 -2.499 15.222 1.00 0.00 C ATOM 0 H MET A 104 -20.011 -7.149 19.181 1.00 0.00 H new ATOM 0 HA MET A 104 -21.507 -4.947 17.958 1.00 0.00 H new ATOM 0 HB2 MET A 104 -19.198 -6.341 16.545 1.00 0.00 H new ATOM 0 HB3 MET A 104 -20.265 -5.134 15.854 1.00 0.00 H new ATOM 0 HG2 MET A 104 -19.443 -3.519 17.654 1.00 0.00 H new ATOM 0 HG3 MET A 104 -18.250 -4.724 18.097 1.00 0.00 H new ATOM 0 HE1 MET A 104 -18.441 -2.241 14.236 1.00 0.00 H new ATOM 0 HE2 MET A 104 -19.816 -2.945 15.119 1.00 0.00 H new ATOM 0 HE3 MET A 104 -18.896 -1.598 15.832 1.00 0.00 H new ATOM 1596 N LYS A 105 -22.824 -6.643 16.569 1.00 0.00 N ATOM 1597 CA LYS A 105 -23.847 -7.598 16.090 1.00 0.00 C ATOM 1598 C LYS A 105 -24.765 -6.961 15.012 1.00 0.00 C ATOM 1599 O LYS A 105 -24.330 -6.067 14.284 1.00 0.00 O ATOM 1600 CB LYS A 105 -24.617 -8.168 17.317 1.00 0.00 C ATOM 1601 CG LYS A 105 -24.989 -9.648 17.127 1.00 0.00 C ATOM 1602 CD LYS A 105 -25.748 -10.186 18.347 1.00 0.00 C ATOM 1603 CE LYS A 105 -25.957 -11.707 18.259 1.00 0.00 C ATOM 1604 NZ LYS A 105 -26.982 -12.103 17.253 1.00 0.00 N ATOM 0 H LYS A 105 -23.012 -5.683 16.279 1.00 0.00 H new ATOM 0 HA LYS A 105 -23.368 -8.436 15.583 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -24.004 -8.060 18.212 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -25.523 -7.584 17.479 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -25.603 -9.760 16.234 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -24.085 -10.236 16.968 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -25.195 -9.946 19.255 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -26.715 -9.689 18.423 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -25.009 -12.183 18.009 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -26.254 -12.083 19.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -27.076 -13.139 17.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -27.897 -11.675 17.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -26.690 -11.772 16.311 1.00 0.00 H new ATOM 1618 N TYR A 106 -26.017 -7.427 14.876 1.00 0.00 N ATOM 1619 CA TYR A 106 -27.095 -6.811 14.068 1.00 0.00 C ATOM 1620 C TYR A 106 -26.806 -6.748 12.549 1.00 0.00 C ATOM 1621 O TYR A 106 -27.345 -5.904 11.831 1.00 0.00 O ATOM 1622 CB TYR A 106 -27.460 -5.432 14.662 1.00 0.00 C ATOM 1623 CG TYR A 106 -27.659 -5.433 16.170 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -28.764 -6.101 16.734 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -26.720 -4.801 17.011 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -28.930 -6.145 18.133 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -26.879 -4.843 18.410 1.00 0.00 C ATOM 1628 CZ TYR A 106 -27.985 -5.516 18.976 1.00 0.00 C ATOM 1629 OH TYR A 106 -28.134 -5.557 20.329 1.00 0.00 O ATOM 0 H TYR A 106 -26.324 -8.280 15.344 1.00 0.00 H new ATOM 0 HA TYR A 106 -27.960 -7.471 14.134 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -26.672 -4.722 14.412 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -28.374 -5.075 14.187 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -29.487 -6.581 16.091 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -25.876 -4.283 16.581 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -29.778 -6.659 18.561 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -26.155 -4.361 19.050 1.00 0.00 H new ATOM 0 HH TYR A 106 -27.394 -5.075 20.754 1.00 0.00 H new ATOM 1639 N SER A 107 -25.920 -7.617 12.057 1.00 0.00 N ATOM 1640 CA SER A 107 -25.378 -7.592 10.686 1.00 0.00 C ATOM 1641 C SER A 107 -24.639 -8.896 10.326 1.00 0.00 C ATOM 1642 O SER A 107 -24.171 -9.627 11.206 1.00 0.00 O ATOM 1643 CB SER A 107 -24.457 -6.365 10.500 1.00 0.00 C ATOM 1644 OG SER A 107 -23.546 -6.182 11.577 1.00 0.00 O ATOM 0 H SER A 107 -25.545 -8.384 12.615 1.00 0.00 H new ATOM 0 HA SER A 107 -26.221 -7.510 10.000 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.896 -6.477 9.572 1.00 0.00 H new ATOM 0 HB3 SER A 107 -25.071 -5.470 10.395 1.00 0.00 H new ATOM 0 HG SER A 107 -24.046 -6.060 12.411 1.00 0.00 H new ATOM 1650 N ILE A 108 -24.528 -9.196 9.024 1.00 0.00 N ATOM 1651 CA ILE A 108 -23.754 -10.339 8.487 1.00 0.00 C ATOM 1652 C ILE A 108 -22.254 -10.000 8.572 1.00 0.00 C ATOM 1653 O ILE A 108 -21.895 -8.838 8.402 1.00 0.00 O ATOM 1654 CB ILE A 108 -24.228 -10.661 7.041 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -25.716 -11.094 7.051 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -23.360 -11.751 6.374 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -26.338 -11.277 5.660 1.00 0.00 C ATOM 0 H ILE A 108 -24.980 -8.644 8.295 1.00 0.00 H new ATOM 0 HA ILE A 108 -23.923 -11.241 9.075 1.00 0.00 H new ATOM 0 HB ILE A 108 -24.119 -9.751 6.451 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -25.804 -12.031 7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -26.294 -10.349 7.598 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -23.728 -11.943 5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -22.325 -11.412 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -23.414 -12.668 6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -27.380 -11.580 5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -26.287 -10.336 5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -25.790 -12.045 5.114 1.00 0.00 H new ATOM 1669 N VAL A 109 -21.377 -10.985 8.813 1.00 0.00 N ATOM 1670 CA VAL A 109 -19.937 -10.781 9.129 1.00 0.00 C ATOM 1671 C VAL A 109 -19.226 -9.844 8.139 1.00 0.00 C ATOM 1672 O VAL A 109 -18.447 -8.989 8.560 1.00 0.00 O ATOM 1673 CB VAL A 109 -19.172 -12.126 9.242 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -17.664 -11.949 9.488 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -19.744 -12.978 10.392 1.00 0.00 C ATOM 0 H VAL A 109 -21.644 -11.969 8.796 1.00 0.00 H new ATOM 0 HA VAL A 109 -19.922 -10.291 10.102 1.00 0.00 H new ATOM 0 HB VAL A 109 -19.306 -12.621 8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -17.189 -12.928 9.557 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.224 -11.390 8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -17.509 -11.404 10.419 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -19.195 -13.918 10.456 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -19.645 -12.435 11.332 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -20.797 -13.185 10.202 1.00 0.00 H new ATOM 1685 N SER A 110 -19.535 -9.943 6.843 1.00 0.00 N ATOM 1686 CA SER A 110 -18.992 -9.062 5.797 1.00 0.00 C ATOM 1687 C SER A 110 -19.272 -7.577 6.085 1.00 0.00 C ATOM 1688 O SER A 110 -18.341 -6.767 6.108 1.00 0.00 O ATOM 1689 CB SER A 110 -19.577 -9.457 4.430 1.00 0.00 C ATOM 1690 OG SER A 110 -19.366 -10.836 4.152 1.00 0.00 O ATOM 0 H SER A 110 -20.179 -10.647 6.482 1.00 0.00 H new ATOM 0 HA SER A 110 -17.910 -9.190 5.786 1.00 0.00 H new ATOM 0 HB2 SER A 110 -20.645 -9.241 4.414 1.00 0.00 H new ATOM 0 HB3 SER A 110 -19.118 -8.853 3.648 1.00 0.00 H new ATOM 0 HG SER A 110 -19.750 -11.056 3.278 1.00 0.00 H new ATOM 1696 N ARG A 111 -20.528 -7.213 6.401 1.00 0.00 N ATOM 1697 CA ARG A 111 -20.855 -5.846 6.828 1.00 0.00 C ATOM 1698 C ARG A 111 -20.401 -5.572 8.260 1.00 0.00 C ATOM 1699 O ARG A 111 -19.960 -4.467 8.539 1.00 0.00 O ATOM 1700 CB ARG A 111 -22.351 -5.535 6.641 1.00 0.00 C ATOM 1701 CG ARG A 111 -22.714 -4.062 6.945 1.00 0.00 C ATOM 1702 CD ARG A 111 -22.077 -3.040 5.994 1.00 0.00 C ATOM 1703 NE ARG A 111 -22.512 -1.674 6.337 1.00 0.00 N ATOM 1704 CZ ARG A 111 -22.029 -0.539 5.844 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -21.068 -0.512 4.947 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -22.521 0.610 6.253 1.00 0.00 N ATOM 0 H ARG A 111 -21.328 -7.845 6.368 1.00 0.00 H new ATOM 0 HA ARG A 111 -20.298 -5.169 6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -22.638 -5.768 5.616 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -22.934 -6.187 7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -23.798 -3.952 6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -22.409 -3.829 7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.991 -3.108 6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -22.355 -3.269 4.965 1.00 0.00 H new ATOM 0 HE ARG A 111 -23.261 -1.592 7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.665 -1.384 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.725 0.381 4.594 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.270 0.627 6.945 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.154 1.485 5.878 1.00 0.00 H new ATOM 1720 N ASN A 112 -20.438 -6.549 9.159 1.00 0.00 N ATOM 1721 CA ASN A 112 -20.043 -6.376 10.561 1.00 0.00 C ATOM 1722 C ASN A 112 -18.592 -5.881 10.692 1.00 0.00 C ATOM 1723 O ASN A 112 -18.336 -4.918 11.414 1.00 0.00 O ATOM 1724 CB ASN A 112 -20.275 -7.696 11.310 1.00 0.00 C ATOM 1725 CG ASN A 112 -20.264 -7.510 12.822 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -19.345 -7.921 13.513 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -21.290 -6.887 13.371 1.00 0.00 N ATOM 0 H ASN A 112 -20.746 -7.496 8.937 1.00 0.00 H new ATOM 0 HA ASN A 112 -20.661 -5.600 11.014 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -21.231 -8.121 11.005 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -19.503 -8.412 11.028 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -21.320 -6.745 14.381 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -22.053 -6.547 12.786 1.00 0.00 H new ATOM 1734 N CYS A 113 -17.664 -6.455 9.916 1.00 0.00 N ATOM 1735 CA CYS A 113 -16.266 -6.012 9.863 1.00 0.00 C ATOM 1736 C CYS A 113 -16.060 -4.716 9.035 1.00 0.00 C ATOM 1737 O CYS A 113 -15.316 -3.832 9.466 1.00 0.00 O ATOM 1738 CB CYS A 113 -15.394 -7.219 9.463 1.00 0.00 C ATOM 1739 SG CYS A 113 -15.573 -7.674 7.713 1.00 0.00 S ATOM 0 H CYS A 113 -17.864 -7.245 9.303 1.00 0.00 H new ATOM 0 HA CYS A 113 -15.935 -5.687 10.849 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.348 -6.989 9.668 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -15.660 -8.074 10.084 1.00 0.00 H new ATOM 0 HG CYS A 113 -16.703 -7.218 7.259 1.00 0.00 H new ATOM 1745 N GLU A 114 -16.765 -4.535 7.912 1.00 0.00 N ATOM 1746 CA GLU A 114 -16.731 -3.298 7.104 1.00 0.00 C ATOM 1747 C GLU A 114 -17.276 -2.077 7.875 1.00 0.00 C ATOM 1748 O GLU A 114 -16.654 -1.017 7.912 1.00 0.00 O ATOM 1749 CB GLU A 114 -17.533 -3.536 5.811 1.00 0.00 C ATOM 1750 CG GLU A 114 -17.511 -2.350 4.841 1.00 0.00 C ATOM 1751 CD GLU A 114 -18.375 -2.659 3.611 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -19.621 -2.552 3.717 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -17.821 -3.001 2.540 1.00 0.00 O ATOM 0 H GLU A 114 -17.385 -5.249 7.529 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.693 -3.066 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -17.135 -4.415 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.567 -3.760 6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.882 -1.455 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.487 -2.141 4.532 1.00 0.00 H new ATOM 1760 N HIS A 115 -18.421 -2.220 8.543 1.00 0.00 N ATOM 1761 CA HIS A 115 -19.019 -1.186 9.390 1.00 0.00 C ATOM 1762 C HIS A 115 -18.109 -0.877 10.594 1.00 0.00 C ATOM 1763 O HIS A 115 -17.985 0.282 10.995 1.00 0.00 O ATOM 1764 CB HIS A 115 -20.422 -1.648 9.828 1.00 0.00 C ATOM 1765 CG HIS A 115 -21.229 -0.610 10.577 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -22.154 -0.865 11.568 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -21.240 0.745 10.366 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -22.699 0.304 11.946 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -22.171 1.322 11.242 1.00 0.00 N ATOM 0 H HIS A 115 -18.972 -3.078 8.510 1.00 0.00 H new ATOM 0 HA HIS A 115 -19.121 -0.258 8.828 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.981 -1.953 8.943 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -20.318 -2.531 10.459 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.635 1.277 9.647 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -23.456 0.411 12.709 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -22.401 2.312 11.328 1.00 0.00 H new ATOM 1777 N PHE A 116 -17.419 -1.890 11.139 1.00 0.00 N ATOM 1778 CA PHE A 116 -16.361 -1.728 12.137 1.00 0.00 C ATOM 1779 C PHE A 116 -15.228 -0.847 11.598 1.00 0.00 C ATOM 1780 O PHE A 116 -15.022 0.226 12.157 1.00 0.00 O ATOM 1781 CB PHE A 116 -15.895 -3.110 12.628 1.00 0.00 C ATOM 1782 CG PHE A 116 -14.501 -3.174 13.229 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -14.262 -2.640 14.507 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -13.445 -3.768 12.510 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -12.976 -2.712 15.071 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -12.159 -3.843 13.078 1.00 0.00 C ATOM 1787 CZ PHE A 116 -11.927 -3.321 14.363 1.00 0.00 C ATOM 0 H PHE A 116 -17.588 -2.865 10.890 1.00 0.00 H new ATOM 0 HA PHE A 116 -16.749 -1.199 13.007 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -16.606 -3.466 13.373 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -15.938 -3.804 11.789 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -15.067 -2.174 15.056 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -13.622 -4.166 11.522 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -12.794 -2.298 16.052 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -11.351 -4.301 12.527 1.00 0.00 H new ATOM 0 HZ PHE A 116 -10.944 -3.388 14.805 1.00 0.00 H new ATOM 1797 N VAL A 117 -14.552 -1.200 10.493 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.458 -0.326 9.993 1.00 0.00 C ATOM 1799 C VAL A 117 -13.937 1.047 9.520 1.00 0.00 C ATOM 1800 O VAL A 117 -13.173 2.003 9.613 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.535 -0.939 8.921 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.642 -2.006 9.551 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.269 -1.467 7.685 1.00 0.00 C ATOM 0 H VAL A 117 -14.725 -2.042 9.944 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.852 -0.208 10.892 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.914 -0.127 8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.993 -2.434 8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.033 -1.555 10.334 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.263 -2.792 9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.546 -1.881 6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.971 -2.245 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.813 -0.651 7.209 1.00 0.00 H new ATOM 1813 N THR A 118 -15.199 1.195 9.095 1.00 0.00 N ATOM 1814 CA THR A 118 -15.764 2.526 8.794 1.00 0.00 C ATOM 1815 C THR A 118 -15.953 3.335 10.071 1.00 0.00 C ATOM 1816 O THR A 118 -15.634 4.513 10.059 1.00 0.00 O ATOM 1817 CB THR A 118 -17.055 2.457 7.972 1.00 0.00 C ATOM 1818 OG1 THR A 118 -16.890 1.525 6.922 1.00 0.00 O ATOM 1819 CG2 THR A 118 -17.387 3.797 7.314 1.00 0.00 C ATOM 0 H THR A 118 -15.846 0.420 8.951 1.00 0.00 H new ATOM 0 HA THR A 118 -15.038 3.042 8.166 1.00 0.00 H new ATOM 0 HB THR A 118 -17.854 2.175 8.657 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.966 0.615 7.278 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.310 3.702 6.741 1.00 0.00 H new ATOM 0 HG22 THR A 118 -17.514 4.559 8.083 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.574 4.086 6.648 1.00 0.00 H new ATOM 1827 N GLN A 119 -16.350 2.722 11.189 1.00 0.00 N ATOM 1828 CA GLN A 119 -16.352 3.383 12.504 1.00 0.00 C ATOM 1829 C GLN A 119 -14.933 3.715 13.013 1.00 0.00 C ATOM 1830 O GLN A 119 -14.797 4.615 13.845 1.00 0.00 O ATOM 1831 CB GLN A 119 -17.141 2.540 13.517 1.00 0.00 C ATOM 1832 CG GLN A 119 -18.653 2.702 13.291 1.00 0.00 C ATOM 1833 CD GLN A 119 -19.446 1.628 14.028 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -20.006 1.835 15.098 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -19.502 0.434 13.476 1.00 0.00 N ATOM 0 H GLN A 119 -16.679 1.757 11.212 1.00 0.00 H new ATOM 0 HA GLN A 119 -16.852 4.344 12.386 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.863 1.490 13.420 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.884 2.845 14.531 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -18.969 3.688 13.632 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.870 2.649 12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -19.036 0.262 12.585 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -20.012 -0.319 13.939 1.00 0.00 H new ATOM 1844 N LEU A 120 -13.878 3.060 12.499 1.00 0.00 N ATOM 1845 CA LEU A 120 -12.485 3.453 12.756 1.00 0.00 C ATOM 1846 C LEU A 120 -12.116 4.696 11.922 1.00 0.00 C ATOM 1847 O LEU A 120 -11.897 5.760 12.502 1.00 0.00 O ATOM 1848 CB LEU A 120 -11.504 2.282 12.528 1.00 0.00 C ATOM 1849 CG LEU A 120 -11.800 0.970 13.291 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -10.815 -0.139 12.884 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -11.759 1.147 14.812 1.00 0.00 C ATOM 0 H LEU A 120 -13.969 2.244 11.894 1.00 0.00 H new ATOM 0 HA LEU A 120 -12.396 3.720 13.809 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.483 2.058 11.461 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.504 2.617 12.803 1.00 0.00 H new ATOM 0 HG LEU A 120 -12.814 0.683 13.014 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -11.045 -1.051 13.435 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.903 -0.330 11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.797 0.176 13.113 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.974 0.194 15.295 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.769 1.491 15.112 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -12.505 1.883 15.113 1.00 0.00 H new ATOM 1863 N ARG A 121 -12.090 4.598 10.578 1.00 0.00 N ATOM 1864 CA ARG A 121 -11.794 5.727 9.659 1.00 0.00 C ATOM 1865 C ARG A 121 -12.945 6.746 9.491 1.00 0.00 C ATOM 1866 O ARG A 121 -12.888 7.612 8.615 1.00 0.00 O ATOM 1867 CB ARG A 121 -11.211 5.262 8.302 1.00 0.00 C ATOM 1868 CG ARG A 121 -12.081 4.279 7.497 1.00 0.00 C ATOM 1869 CD ARG A 121 -11.756 4.304 5.991 1.00 0.00 C ATOM 1870 NE ARG A 121 -11.828 2.978 5.339 1.00 0.00 N ATOM 1871 CZ ARG A 121 -12.871 2.166 5.210 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -14.068 2.484 5.655 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -12.712 1.009 4.608 1.00 0.00 N ATOM 0 H ARG A 121 -12.276 3.723 10.089 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.007 6.284 10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -11.028 6.143 7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -10.244 4.794 8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -11.934 3.270 7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -13.133 4.525 7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -12.448 4.981 5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -10.755 4.712 5.852 1.00 0.00 H new ATOM 0 HE ARG A 121 -10.956 2.641 4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -14.219 3.381 6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -14.845 1.834 5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -11.796 0.744 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -13.505 0.376 4.502 1.00 0.00 H new ATOM 1887 N TYR A 122 -13.948 6.703 10.367 1.00 0.00 N ATOM 1888 CA TYR A 122 -15.118 7.597 10.425 1.00 0.00 C ATOM 1889 C TYR A 122 -14.724 9.091 10.453 1.00 0.00 C ATOM 1890 O TYR A 122 -15.502 9.967 10.071 1.00 0.00 O ATOM 1891 CB TYR A 122 -15.901 7.268 11.709 1.00 0.00 C ATOM 1892 CG TYR A 122 -17.376 7.616 11.663 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -18.303 6.694 11.139 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -17.829 8.851 12.168 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -19.677 7.005 11.109 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -19.202 9.170 12.141 1.00 0.00 C ATOM 1897 CZ TYR A 122 -20.130 8.246 11.609 1.00 0.00 C ATOM 1898 OH TYR A 122 -21.458 8.546 11.574 1.00 0.00 O ATOM 0 H TYR A 122 -13.972 6.000 11.105 1.00 0.00 H new ATOM 0 HA TYR A 122 -15.715 7.435 9.527 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -15.800 6.203 11.916 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -15.443 7.800 12.543 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -17.959 5.744 10.758 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -17.121 9.556 12.578 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -20.383 6.295 10.704 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -19.544 10.119 12.526 1.00 0.00 H new ATOM 0 HH TYR A 122 -21.602 9.436 11.957 1.00 0.00 H new ATOM 1908 N GLY A 123 -13.486 9.355 10.912 1.00 0.00 N ATOM 1909 CA GLY A 123 -12.818 10.660 11.020 1.00 0.00 C ATOM 1910 C GLY A 123 -12.996 11.564 9.801 1.00 0.00 C ATOM 1911 O GLY A 123 -13.291 12.749 9.958 1.00 0.00 O ATOM 0 H GLY A 123 -12.883 8.601 11.242 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -13.200 11.178 11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.753 10.497 11.183 1.00 0.00 H new ATOM 1915 N LYS A 124 -12.835 11.000 8.597 1.00 0.00 N ATOM 1916 CA LYS A 124 -13.044 11.711 7.323 1.00 0.00 C ATOM 1917 C LYS A 124 -13.759 10.889 6.223 1.00 0.00 C ATOM 1918 O LYS A 124 -14.082 11.457 5.174 1.00 0.00 O ATOM 1919 CB LYS A 124 -11.680 12.246 6.830 1.00 0.00 C ATOM 1920 CG LYS A 124 -11.163 13.507 7.546 1.00 0.00 C ATOM 1921 CD LYS A 124 -11.991 14.766 7.228 1.00 0.00 C ATOM 1922 CE LYS A 124 -11.517 15.993 8.024 1.00 0.00 C ATOM 1923 NZ LYS A 124 -11.995 15.976 9.437 1.00 0.00 N ATOM 0 H LYS A 124 -12.553 10.027 8.476 1.00 0.00 H new ATOM 0 HA LYS A 124 -13.734 12.530 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -10.938 11.456 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -11.758 12.461 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -11.173 13.336 8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.126 13.680 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -11.926 14.981 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -13.040 14.574 7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.428 16.031 8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -11.873 16.900 7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.649 16.823 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -13.035 15.967 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -11.635 15.126 9.915 1.00 0.00 H new ATOM 1937 N SER A 125 -14.041 9.595 6.443 1.00 0.00 N ATOM 1938 CA SER A 125 -14.824 8.739 5.525 1.00 0.00 C ATOM 1939 C SER A 125 -16.321 8.748 5.862 1.00 0.00 C ATOM 1940 O SER A 125 -17.120 9.154 4.987 1.00 0.00 O ATOM 1941 CB SER A 125 -14.295 7.312 5.539 1.00 0.00 C ATOM 1942 OG SER A 125 -12.994 7.325 4.991 1.00 0.00 O ATOM 1943 OXT SER A 125 -16.692 8.358 6.993 1.00 0.00 O ATOM 0 H SER A 125 -13.727 9.101 7.278 1.00 0.00 H new ATOM 0 HA SER A 125 -14.708 9.155 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.276 6.922 6.557 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.946 6.658 4.959 1.00 0.00 H new ATOM 0 HG SER A 125 -12.513 8.118 5.308 1.00 0.00 H new TER 1949 SER A 125