USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 855 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 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 2 THR OG1 : rot 170:sc= 0.0475 USER MOD Set 2.2: A 5 LYS NZ :NH3+ -169:sc= 0.0628 (180deg=0) USER MOD Set 2.3: A 8 HIS : no HD1:sc= -0.615 K(o=-0.5,f=-1.4) USER MOD Single : A 1 ALA N :NH3+ 150:sc= 0.00219 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -44:sc= 0.604 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= -0.318 (180deg=-0.399) USER MOD Single : A 26 MET CE :methyl -127:sc= -0.0222 (180deg=-2.35) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.145 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.15) USER MOD Single : A 32 MET CE :methyl -146:sc= -13.9! (180deg=-21!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.819 K(o=-0.82,f=-2.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= -0.494 (180deg=-0.522) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 143:sc= -1.91! USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= -0.738 (180deg=-0.773) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -122:sc= -4.04 (180deg=-13!) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.361 F(o=-2.6!,f=-0.36) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 0.276 (180deg=0.25) USER MOD Single : A 80 GLN :FLIP amide:sc= -1.96 F(o=-2.6,f=-2) USER MOD Single : A 82 THR OG1 : rot -66:sc= -0.666 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -101:sc= 0.153 USER MOD Single : A 91 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 93 TYR OH : rot 102:sc= 0.977 USER MOD Single : A 97 LYS NZ :NH3+ -176:sc=-0.00634 (180deg=-0.0299) USER MOD Single : A 98 MET CE :methyl -164:sc= -1.14 (180deg=-1.47) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.071 12.493 -10.422 1.00 0.00 N ATOM 2 CA ALA A 1 13.918 12.191 -11.320 1.00 0.00 C ATOM 3 C ALA A 1 13.851 13.230 -12.447 1.00 0.00 C ATOM 4 O ALA A 1 13.992 14.419 -12.217 1.00 0.00 O ATOM 5 CB ALA A 1 12.616 12.228 -10.515 1.00 0.00 C ATOM 0 H1 ALA A 1 14.853 12.172 -9.457 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.919 11.999 -10.767 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.246 13.518 -10.415 1.00 0.00 H new ATOM 0 HA ALA A 1 14.051 11.199 -11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.775 12.007 -11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.659 11.485 -9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.486 13.219 -10.079 1.00 0.00 H new ATOM 13 N THR A 2 13.633 12.786 -13.663 1.00 0.00 N ATOM 14 CA THR A 2 13.551 13.736 -14.820 1.00 0.00 C ATOM 15 C THR A 2 12.179 14.425 -14.834 1.00 0.00 C ATOM 16 O THR A 2 11.287 14.072 -14.081 1.00 0.00 O ATOM 17 CB THR A 2 13.751 12.971 -16.138 1.00 0.00 C ATOM 18 OG1 THR A 2 12.887 11.840 -16.174 1.00 0.00 O ATOM 19 CG2 THR A 2 15.205 12.508 -16.250 1.00 0.00 C ATOM 0 H THR A 2 13.508 11.803 -13.905 1.00 0.00 H new ATOM 0 HA THR A 2 14.332 14.489 -14.715 1.00 0.00 H new ATOM 0 HB THR A 2 13.516 13.631 -16.973 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.897 11.449 -17.073 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.343 11.966 -17.186 1.00 0.00 H new ATOM 0 HG22 THR A 2 15.865 13.375 -16.232 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.444 11.853 -15.412 1.00 0.00 H new ATOM 27 N SER A 3 12.005 15.404 -15.692 1.00 0.00 N ATOM 28 CA SER A 3 10.698 16.122 -15.771 1.00 0.00 C ATOM 29 C SER A 3 9.881 15.581 -16.957 1.00 0.00 C ATOM 30 O SER A 3 9.149 16.310 -17.606 1.00 0.00 O ATOM 31 CB SER A 3 10.954 17.623 -15.952 1.00 0.00 C ATOM 32 OG SER A 3 11.410 18.174 -14.723 1.00 0.00 O ATOM 0 H SER A 3 12.717 15.736 -16.342 1.00 0.00 H new ATOM 0 HA SER A 3 10.136 15.961 -14.851 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.696 17.785 -16.734 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.040 18.124 -16.271 1.00 0.00 H new ATOM 0 HG SER A 3 11.576 19.133 -14.836 1.00 0.00 H new ATOM 38 N THR A 4 10.001 14.302 -17.242 1.00 0.00 N ATOM 39 CA THR A 4 9.239 13.700 -18.380 1.00 0.00 C ATOM 40 C THR A 4 9.050 12.187 -18.143 1.00 0.00 C ATOM 41 O THR A 4 8.959 11.410 -19.078 1.00 0.00 O ATOM 42 CB THR A 4 10.013 13.947 -19.687 1.00 0.00 C ATOM 43 OG1 THR A 4 9.236 13.504 -20.794 1.00 0.00 O ATOM 44 CG2 THR A 4 11.347 13.192 -19.659 1.00 0.00 C ATOM 0 H THR A 4 10.597 13.650 -16.732 1.00 0.00 H new ATOM 0 HA THR A 4 8.254 14.162 -18.452 1.00 0.00 H new ATOM 0 HB THR A 4 10.211 15.014 -19.786 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.836 12.634 -20.586 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.887 13.373 -20.588 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.945 13.541 -18.817 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.158 12.124 -19.551 1.00 0.00 H new ATOM 52 N LYS A 5 8.983 11.765 -16.898 1.00 0.00 N ATOM 53 CA LYS A 5 8.798 10.312 -16.600 1.00 0.00 C ATOM 54 C LYS A 5 7.308 10.008 -16.363 1.00 0.00 C ATOM 55 O LYS A 5 6.442 10.775 -16.746 1.00 0.00 O ATOM 56 CB LYS A 5 9.618 9.941 -15.361 1.00 0.00 C ATOM 57 CG LYS A 5 10.282 8.574 -15.568 1.00 0.00 C ATOM 58 CD LYS A 5 11.786 8.760 -15.786 1.00 0.00 C ATOM 59 CE LYS A 5 12.453 9.158 -14.465 1.00 0.00 C ATOM 60 NZ LYS A 5 13.921 9.321 -14.675 1.00 0.00 N ATOM 0 H LYS A 5 9.049 12.368 -16.078 1.00 0.00 H new ATOM 0 HA LYS A 5 9.141 9.720 -17.449 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.378 10.700 -15.176 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.974 9.913 -14.482 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.106 7.938 -14.700 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.840 8.070 -16.427 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.226 7.837 -16.163 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.962 9.528 -16.539 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.023 10.089 -14.095 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.266 8.397 -13.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.396 9.406 -13.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.293 8.492 -15.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.098 10.178 -15.236 1.00 0.00 H new ATOM 74 N LYS A 6 7.009 8.880 -15.750 1.00 0.00 N ATOM 75 CA LYS A 6 5.581 8.484 -15.497 1.00 0.00 C ATOM 76 C LYS A 6 5.532 7.088 -14.846 1.00 0.00 C ATOM 77 O LYS A 6 4.616 6.776 -14.109 1.00 0.00 O ATOM 78 CB LYS A 6 4.797 8.453 -16.823 1.00 0.00 C ATOM 79 CG LYS A 6 5.328 7.335 -17.735 1.00 0.00 C ATOM 80 CD LYS A 6 6.754 7.665 -18.185 1.00 0.00 C ATOM 81 CE LYS A 6 7.031 7.016 -19.544 1.00 0.00 C ATOM 82 NZ LYS A 6 6.797 8.011 -20.629 1.00 0.00 N ATOM 0 H LYS A 6 7.701 8.212 -15.412 1.00 0.00 H new ATOM 0 HA LYS A 6 5.129 9.216 -14.827 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.737 8.295 -16.622 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.886 9.415 -17.328 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.316 6.383 -17.204 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.679 7.223 -18.604 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.883 8.745 -18.254 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.471 7.305 -17.447 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.059 6.655 -19.583 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.383 6.151 -19.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.985 7.569 -21.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.809 8.335 -20.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.433 8.824 -20.498 1.00 0.00 H new ATOM 96 N LEU A 7 6.508 6.252 -15.125 1.00 0.00 N ATOM 97 CA LEU A 7 6.539 4.881 -14.539 1.00 0.00 C ATOM 98 C LEU A 7 8.012 4.452 -14.383 1.00 0.00 C ATOM 99 O LEU A 7 8.617 3.919 -15.297 1.00 0.00 O ATOM 100 CB LEU A 7 5.784 3.917 -15.473 1.00 0.00 C ATOM 101 CG LEU A 7 4.263 4.033 -15.256 1.00 0.00 C ATOM 102 CD1 LEU A 7 3.540 3.013 -16.139 1.00 0.00 C ATOM 103 CD2 LEU A 7 3.902 3.755 -13.789 1.00 0.00 C ATOM 0 H LEU A 7 7.291 6.469 -15.742 1.00 0.00 H new ATOM 0 HA LEU A 7 6.056 4.864 -13.562 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.027 4.143 -16.511 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.107 2.893 -15.286 1.00 0.00 H new ATOM 0 HG LEU A 7 3.956 5.046 -15.516 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.464 3.096 -15.985 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.773 3.208 -17.186 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.868 2.007 -15.876 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.824 3.842 -13.657 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.220 2.748 -13.521 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.406 4.478 -13.147 1.00 0.00 H new ATOM 115 N HIS A 8 8.595 4.710 -13.228 1.00 0.00 N ATOM 116 CA HIS A 8 10.033 4.357 -12.982 1.00 0.00 C ATOM 117 C HIS A 8 10.141 2.999 -12.252 1.00 0.00 C ATOM 118 O HIS A 8 9.322 2.126 -12.439 1.00 0.00 O ATOM 119 CB HIS A 8 10.672 5.470 -12.137 1.00 0.00 C ATOM 120 CG HIS A 8 12.100 5.680 -12.567 1.00 0.00 C ATOM 121 ND1 HIS A 8 12.458 5.849 -13.896 1.00 0.00 N ATOM 122 CD2 HIS A 8 13.270 5.747 -11.853 1.00 0.00 C ATOM 123 CE1 HIS A 8 13.793 6.007 -13.939 1.00 0.00 C ATOM 124 NE2 HIS A 8 14.338 5.953 -12.721 1.00 0.00 N ATOM 0 H HIS A 8 8.127 5.155 -12.439 1.00 0.00 H new ATOM 0 HA HIS A 8 10.557 4.267 -13.934 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.108 6.396 -12.252 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.636 5.204 -11.081 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.350 5.654 -10.780 1.00 0.00 H new ATOM 0 HE1 HIS A 8 14.356 6.159 -14.848 1.00 0.00 H new ATOM 0 HE2 HIS A 8 15.325 6.043 -12.479 1.00 0.00 H new ATOM 132 N LYS A 9 11.157 2.802 -11.435 1.00 0.00 N ATOM 133 CA LYS A 9 11.315 1.491 -10.720 1.00 0.00 C ATOM 134 C LYS A 9 12.497 1.557 -9.741 1.00 0.00 C ATOM 135 O LYS A 9 13.550 2.080 -10.061 1.00 0.00 O ATOM 136 CB LYS A 9 11.566 0.374 -11.743 1.00 0.00 C ATOM 137 CG LYS A 9 12.559 0.854 -12.808 1.00 0.00 C ATOM 138 CD LYS A 9 12.840 -0.279 -13.800 1.00 0.00 C ATOM 139 CE LYS A 9 12.148 0.023 -15.132 1.00 0.00 C ATOM 140 NZ LYS A 9 13.053 0.841 -15.991 1.00 0.00 N ATOM 0 H LYS A 9 11.881 3.492 -11.234 1.00 0.00 H new ATOM 0 HA LYS A 9 10.402 1.283 -10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.958 -0.510 -11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.627 0.083 -12.214 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.154 1.718 -13.334 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.487 1.175 -12.335 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.914 -0.385 -13.952 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.480 -1.226 -13.398 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.891 -0.907 -15.639 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.215 0.558 -14.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.582 1.046 -16.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.277 1.734 -15.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.932 0.314 -16.170 1.00 0.00 H new ATOM 154 N GLU A 10 12.328 1.012 -8.556 1.00 0.00 N ATOM 155 CA GLU A 10 13.424 1.013 -7.540 1.00 0.00 C ATOM 156 C GLU A 10 13.105 -0.066 -6.498 1.00 0.00 C ATOM 157 O GLU A 10 12.025 -0.066 -5.940 1.00 0.00 O ATOM 158 CB GLU A 10 13.498 2.383 -6.852 1.00 0.00 C ATOM 159 CG GLU A 10 14.626 3.224 -7.466 1.00 0.00 C ATOM 160 CD GLU A 10 15.971 2.506 -7.292 1.00 0.00 C ATOM 161 OE1 GLU A 10 16.497 2.529 -6.191 1.00 0.00 O ATOM 162 OE2 GLU A 10 16.452 1.948 -8.266 1.00 0.00 O ATOM 0 H GLU A 10 11.465 0.562 -8.250 1.00 0.00 H new ATOM 0 HA GLU A 10 14.381 0.811 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.546 2.904 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.672 2.253 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.429 3.394 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.662 4.203 -6.988 1.00 0.00 H new ATOM 169 N PRO A 11 14.037 -0.966 -6.276 1.00 0.00 N ATOM 170 CA PRO A 11 13.846 -2.072 -5.317 1.00 0.00 C ATOM 171 C PRO A 11 13.392 -1.560 -3.948 1.00 0.00 C ATOM 172 O PRO A 11 13.863 -0.552 -3.450 1.00 0.00 O ATOM 173 CB PRO A 11 15.206 -2.759 -5.228 1.00 0.00 C ATOM 174 CG PRO A 11 16.102 -2.149 -6.328 1.00 0.00 C ATOM 175 CD PRO A 11 15.349 -0.957 -6.943 1.00 0.00 C ATOM 0 HA PRO A 11 13.064 -2.757 -5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.649 -2.608 -4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.103 -3.835 -5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.054 -1.824 -5.908 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.328 -2.893 -7.092 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.877 -0.020 -6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.246 -1.067 -8.023 1.00 0.00 H new ATOM 183 N ALA A 12 12.471 -2.269 -3.354 1.00 0.00 N ATOM 184 CA ALA A 12 11.929 -1.886 -2.017 1.00 0.00 C ATOM 185 C ALA A 12 12.095 -3.073 -1.050 1.00 0.00 C ATOM 186 O ALA A 12 12.835 -4.002 -1.322 1.00 0.00 O ATOM 187 CB ALA A 12 10.445 -1.537 -2.166 1.00 0.00 C ATOM 0 H ALA A 12 12.062 -3.116 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 12 12.466 -1.023 -1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.038 -1.255 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.335 -0.704 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.904 -2.403 -2.549 1.00 0.00 H new ATOM 193 N THR A 13 11.405 -3.058 0.067 1.00 0.00 N ATOM 194 CA THR A 13 11.510 -4.190 1.038 1.00 0.00 C ATOM 195 C THR A 13 10.099 -4.564 1.507 1.00 0.00 C ATOM 196 O THR A 13 9.483 -3.856 2.283 1.00 0.00 O ATOM 197 CB THR A 13 12.395 -3.784 2.230 1.00 0.00 C ATOM 198 OG1 THR A 13 12.393 -4.822 3.201 1.00 0.00 O ATOM 199 CG2 THR A 13 11.871 -2.493 2.859 1.00 0.00 C ATOM 0 H THR A 13 10.773 -2.308 0.347 1.00 0.00 H new ATOM 0 HA THR A 13 11.972 -5.053 0.559 1.00 0.00 H new ATOM 0 HB THR A 13 13.412 -3.618 1.876 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.958 -4.562 3.958 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.505 -2.215 3.701 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.884 -1.695 2.116 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.850 -2.647 3.208 1.00 0.00 H new ATOM 207 N LEU A 14 9.589 -5.668 1.008 1.00 0.00 N ATOM 208 CA LEU A 14 8.212 -6.145 1.359 1.00 0.00 C ATOM 209 C LEU A 14 7.839 -5.801 2.806 1.00 0.00 C ATOM 210 O LEU A 14 8.414 -6.326 3.745 1.00 0.00 O ATOM 211 CB LEU A 14 8.165 -7.667 1.185 1.00 0.00 C ATOM 212 CG LEU A 14 6.722 -8.159 1.280 1.00 0.00 C ATOM 213 CD1 LEU A 14 6.609 -9.527 0.609 1.00 0.00 C ATOM 214 CD2 LEU A 14 6.312 -8.280 2.752 1.00 0.00 C ATOM 0 H LEU A 14 10.085 -6.274 0.354 1.00 0.00 H new ATOM 0 HA LEU A 14 7.500 -5.647 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.590 -7.944 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.773 -8.148 1.951 1.00 0.00 H new ATOM 0 HG LEU A 14 6.064 -7.448 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.580 -9.881 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.897 -9.443 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.269 -10.234 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.282 -8.631 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.969 -8.989 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.393 -7.306 3.234 1.00 0.00 H new ATOM 226 N ILE A 15 6.858 -4.944 2.991 1.00 0.00 N ATOM 227 CA ILE A 15 6.425 -4.599 4.376 1.00 0.00 C ATOM 228 C ILE A 15 5.111 -5.335 4.674 1.00 0.00 C ATOM 229 O ILE A 15 5.078 -6.255 5.469 1.00 0.00 O ATOM 230 CB ILE A 15 6.217 -3.083 4.515 1.00 0.00 C ATOM 231 CG1 ILE A 15 7.567 -2.364 4.407 1.00 0.00 C ATOM 232 CG2 ILE A 15 5.584 -2.775 5.877 1.00 0.00 C ATOM 233 CD1 ILE A 15 7.368 -0.863 4.635 1.00 0.00 C ATOM 0 H ILE A 15 6.345 -4.474 2.245 1.00 0.00 H new ATOM 0 HA ILE A 15 7.196 -4.903 5.084 1.00 0.00 H new ATOM 0 HB ILE A 15 5.558 -2.736 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.264 -2.765 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.006 -2.538 3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.437 -1.699 5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.622 -3.281 5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.243 -3.125 6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.328 -0.353 4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.686 -0.468 3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.948 -0.698 5.627 1.00 0.00 H new ATOM 245 N LYS A 16 4.032 -4.936 4.032 1.00 0.00 N ATOM 246 CA LYS A 16 2.713 -5.605 4.261 1.00 0.00 C ATOM 247 C LYS A 16 1.655 -4.979 3.344 1.00 0.00 C ATOM 248 O LYS A 16 1.535 -3.769 3.257 1.00 0.00 O ATOM 249 CB LYS A 16 2.283 -5.428 5.722 1.00 0.00 C ATOM 250 CG LYS A 16 2.021 -6.800 6.348 1.00 0.00 C ATOM 251 CD LYS A 16 0.884 -6.692 7.370 1.00 0.00 C ATOM 252 CE LYS A 16 1.453 -6.802 8.788 1.00 0.00 C ATOM 253 NZ LYS A 16 1.620 -8.239 9.152 1.00 0.00 N ATOM 0 H LYS A 16 4.013 -4.172 3.357 1.00 0.00 H new ATOM 0 HA LYS A 16 2.810 -6.668 4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.060 -4.905 6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.384 -4.815 5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.759 -7.520 5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.925 -7.168 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.363 -5.742 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.152 -7.481 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.413 -6.288 8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.786 -6.312 9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.006 -8.311 10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.697 -8.717 9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.273 -8.693 8.482 1.00 0.00 H new ATOM 267 N ALA A 17 0.883 -5.796 2.666 1.00 0.00 N ATOM 268 CA ALA A 17 -0.175 -5.257 1.758 1.00 0.00 C ATOM 269 C ALA A 17 -1.397 -4.856 2.584 1.00 0.00 C ATOM 270 O ALA A 17 -2.039 -5.682 3.211 1.00 0.00 O ATOM 271 CB ALA A 17 -0.571 -6.326 0.733 1.00 0.00 C ATOM 0 H ALA A 17 0.942 -6.814 2.704 1.00 0.00 H new ATOM 0 HA ALA A 17 0.209 -4.383 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.342 -5.929 0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.302 -6.606 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.955 -7.204 1.253 1.00 0.00 H new ATOM 277 N ILE A 18 -1.716 -3.586 2.577 1.00 0.00 N ATOM 278 CA ILE A 18 -2.894 -3.083 3.344 1.00 0.00 C ATOM 279 C ILE A 18 -4.162 -3.789 2.836 1.00 0.00 C ATOM 280 O ILE A 18 -4.848 -4.463 3.583 1.00 0.00 O ATOM 281 CB ILE A 18 -2.997 -1.566 3.128 1.00 0.00 C ATOM 282 CG1 ILE A 18 -2.016 -0.850 4.065 1.00 0.00 C ATOM 283 CG2 ILE A 18 -4.422 -1.082 3.420 1.00 0.00 C ATOM 284 CD1 ILE A 18 -0.822 -0.328 3.262 1.00 0.00 C ATOM 0 H ILE A 18 -1.203 -2.868 2.065 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.783 -3.290 4.408 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.751 -1.340 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.517 -0.023 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.673 -1.535 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.480 -0.005 3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.121 -1.584 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.680 -1.312 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.128 0.180 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.315 -1.163 2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.172 0.372 2.503 1.00 0.00 H new ATOM 296 N ASP A 19 -4.462 -3.643 1.567 1.00 0.00 N ATOM 297 CA ASP A 19 -5.667 -4.298 0.977 1.00 0.00 C ATOM 298 C ASP A 19 -5.613 -4.137 -0.549 1.00 0.00 C ATOM 299 O ASP A 19 -4.566 -3.872 -1.113 1.00 0.00 O ATOM 300 CB ASP A 19 -6.935 -3.633 1.536 1.00 0.00 C ATOM 301 CG ASP A 19 -8.009 -4.697 1.789 1.00 0.00 C ATOM 302 OD1 ASP A 19 -7.902 -5.397 2.784 1.00 0.00 O ATOM 303 OD2 ASP A 19 -8.922 -4.793 0.985 1.00 0.00 O ATOM 0 H ASP A 19 -3.914 -3.090 0.909 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.686 -5.358 1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.704 -3.109 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.306 -2.888 0.833 1.00 0.00 H new ATOM 308 N GLY A 20 -6.729 -4.283 -1.225 1.00 0.00 N ATOM 309 CA GLY A 20 -6.741 -4.123 -2.715 1.00 0.00 C ATOM 310 C GLY A 20 -6.908 -2.639 -3.066 1.00 0.00 C ATOM 311 O GLY A 20 -7.676 -2.284 -3.941 1.00 0.00 O ATOM 0 H GLY A 20 -7.633 -4.506 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.814 -4.507 -3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.555 -4.704 -3.148 1.00 0.00 H new ATOM 315 N ASP A 21 -6.196 -1.774 -2.376 1.00 0.00 N ATOM 316 CA ASP A 21 -6.297 -0.304 -2.634 1.00 0.00 C ATOM 317 C ASP A 21 -4.937 0.345 -2.367 1.00 0.00 C ATOM 318 O ASP A 21 -4.412 1.075 -3.190 1.00 0.00 O ATOM 319 CB ASP A 21 -7.334 0.328 -1.687 1.00 0.00 C ATOM 320 CG ASP A 21 -8.520 -0.621 -1.472 1.00 0.00 C ATOM 321 OD1 ASP A 21 -9.443 -0.578 -2.268 1.00 0.00 O ATOM 322 OD2 ASP A 21 -8.486 -1.374 -0.511 1.00 0.00 O ATOM 0 H ASP A 21 -5.542 -2.031 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.601 -0.145 -3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.867 0.558 -0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.687 1.271 -2.104 1.00 0.00 H new ATOM 327 N THR A 22 -4.379 0.090 -1.205 1.00 0.00 N ATOM 328 CA THR A 22 -3.061 0.687 -0.836 1.00 0.00 C ATOM 329 C THR A 22 -2.050 -0.435 -0.518 1.00 0.00 C ATOM 330 O THR A 22 -2.423 -1.579 -0.318 1.00 0.00 O ATOM 331 CB THR A 22 -3.248 1.560 0.412 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.394 2.387 0.253 1.00 0.00 O ATOM 333 CG2 THR A 22 -2.014 2.436 0.633 1.00 0.00 C ATOM 0 H THR A 22 -4.788 -0.513 -0.492 1.00 0.00 H new ATOM 0 HA THR A 22 -2.686 1.286 -1.666 1.00 0.00 H new ATOM 0 HB THR A 22 -3.384 0.911 1.277 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.511 2.941 1.053 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.159 3.051 1.521 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.138 1.802 0.769 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.865 3.080 -0.234 1.00 0.00 H new ATOM 341 N VAL A 23 -0.778 -0.107 -0.456 1.00 0.00 N ATOM 342 CA VAL A 23 0.270 -1.137 -0.135 1.00 0.00 C ATOM 343 C VAL A 23 1.366 -0.501 0.733 1.00 0.00 C ATOM 344 O VAL A 23 1.589 0.691 0.676 1.00 0.00 O ATOM 345 CB VAL A 23 0.888 -1.694 -1.428 1.00 0.00 C ATOM 346 CG1 VAL A 23 0.113 -2.937 -1.866 1.00 0.00 C ATOM 347 CG2 VAL A 23 0.831 -0.645 -2.543 1.00 0.00 C ATOM 0 H VAL A 23 -0.418 0.834 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.196 -1.958 0.410 1.00 0.00 H new ATOM 0 HB VAL A 23 1.930 -1.952 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.549 -3.334 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.165 -3.693 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.929 -2.672 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.272 -1.055 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.207 -0.374 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.387 0.241 -2.238 1.00 0.00 H new ATOM 357 N LYS A 24 2.051 -1.283 1.539 1.00 0.00 N ATOM 358 CA LYS A 24 3.126 -0.711 2.407 1.00 0.00 C ATOM 359 C LYS A 24 4.487 -1.205 1.921 1.00 0.00 C ATOM 360 O LYS A 24 4.686 -2.388 1.712 1.00 0.00 O ATOM 361 CB LYS A 24 2.907 -1.139 3.858 1.00 0.00 C ATOM 362 CG LYS A 24 3.149 0.061 4.774 1.00 0.00 C ATOM 363 CD LYS A 24 2.893 -0.343 6.229 1.00 0.00 C ATOM 364 CE LYS A 24 3.980 0.254 7.129 1.00 0.00 C ATOM 365 NZ LYS A 24 3.626 1.661 7.477 1.00 0.00 N ATOM 0 H LYS A 24 1.910 -2.289 1.631 1.00 0.00 H new ATOM 0 HA LYS A 24 3.094 0.377 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.892 -1.515 3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.585 -1.953 4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.173 0.418 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.491 0.884 4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.911 0.008 6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.888 -1.429 6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.082 -0.341 8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.943 0.226 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.300 2.025 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.666 2.251 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.664 1.689 7.872 1.00 0.00 H new ATOM 379 N LEU A 25 5.419 -0.303 1.728 1.00 0.00 N ATOM 380 CA LEU A 25 6.769 -0.707 1.235 1.00 0.00 C ATOM 381 C LEU A 25 7.841 0.275 1.734 1.00 0.00 C ATOM 382 O LEU A 25 7.630 1.474 1.770 1.00 0.00 O ATOM 383 CB LEU A 25 6.757 -0.692 -0.301 1.00 0.00 C ATOM 384 CG LEU A 25 7.135 -2.063 -0.873 1.00 0.00 C ATOM 385 CD1 LEU A 25 8.386 -2.593 -0.183 1.00 0.00 C ATOM 386 CD2 LEU A 25 5.985 -3.044 -0.660 1.00 0.00 C ATOM 0 H LEU A 25 5.301 0.697 1.892 1.00 0.00 H new ATOM 0 HA LEU A 25 7.002 -1.704 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.767 -0.407 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.455 0.062 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 25 7.333 -1.957 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.645 -3.567 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.211 -1.899 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.198 -2.692 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.257 -4.018 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.782 -3.141 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.093 -2.675 -1.167 1.00 0.00 H new ATOM 398 N MET A 26 8.998 -0.231 2.092 1.00 0.00 N ATOM 399 CA MET A 26 10.108 0.656 2.559 1.00 0.00 C ATOM 400 C MET A 26 11.106 0.807 1.402 1.00 0.00 C ATOM 401 O MET A 26 12.226 0.325 1.455 1.00 0.00 O ATOM 402 CB MET A 26 10.791 0.027 3.782 1.00 0.00 C ATOM 403 CG MET A 26 10.655 0.957 4.987 1.00 0.00 C ATOM 404 SD MET A 26 11.509 0.232 6.409 1.00 0.00 S ATOM 405 CE MET A 26 13.190 0.712 5.939 1.00 0.00 C ATOM 0 H MET A 26 9.221 -1.226 2.080 1.00 0.00 H new ATOM 0 HA MET A 26 9.726 1.635 2.850 1.00 0.00 H new ATOM 0 HB2 MET A 26 10.340 -0.940 4.005 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.844 -0.155 3.568 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.078 1.934 4.755 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.602 1.113 5.222 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.834 -0.167 5.944 1.00 0.00 H new ATOM 0 HE2 MET A 26 13.178 1.148 4.940 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.571 1.445 6.650 1.00 0.00 H new ATOM 415 N TYR A 27 10.686 1.456 0.342 1.00 0.00 N ATOM 416 CA TYR A 27 11.573 1.630 -0.851 1.00 0.00 C ATOM 417 C TYR A 27 12.592 2.760 -0.619 1.00 0.00 C ATOM 418 O TYR A 27 13.730 2.658 -1.040 1.00 0.00 O ATOM 419 CB TYR A 27 10.710 1.951 -2.084 1.00 0.00 C ATOM 420 CG TYR A 27 10.426 3.435 -2.146 1.00 0.00 C ATOM 421 CD1 TYR A 27 9.437 3.989 -1.329 1.00 0.00 C ATOM 422 CD2 TYR A 27 11.164 4.254 -3.007 1.00 0.00 C ATOM 423 CE1 TYR A 27 9.182 5.362 -1.371 1.00 0.00 C ATOM 424 CE2 TYR A 27 10.911 5.628 -3.051 1.00 0.00 C ATOM 425 CZ TYR A 27 9.919 6.185 -2.234 1.00 0.00 C ATOM 426 OH TYR A 27 9.669 7.545 -2.284 1.00 0.00 O ATOM 0 H TYR A 27 9.760 1.875 0.252 1.00 0.00 H new ATOM 0 HA TYR A 27 12.124 0.704 -1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.225 1.633 -2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.774 1.395 -2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.869 3.355 -0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.929 3.825 -3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.417 5.789 -0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.481 6.261 -3.715 1.00 0.00 H new ATOM 0 HH TYR A 27 10.271 7.964 -2.934 1.00 0.00 H new ATOM 436 N LYS A 28 12.198 3.838 0.031 1.00 0.00 N ATOM 437 CA LYS A 28 13.152 4.964 0.263 1.00 0.00 C ATOM 438 C LYS A 28 13.642 4.955 1.712 1.00 0.00 C ATOM 439 O LYS A 28 13.929 5.990 2.292 1.00 0.00 O ATOM 440 CB LYS A 28 12.478 6.305 -0.074 1.00 0.00 C ATOM 441 CG LYS A 28 11.348 6.605 0.920 1.00 0.00 C ATOM 442 CD LYS A 28 11.393 8.086 1.313 1.00 0.00 C ATOM 443 CE LYS A 28 10.948 8.952 0.131 1.00 0.00 C ATOM 444 NZ LYS A 28 11.439 10.347 0.317 1.00 0.00 N ATOM 0 H LYS A 28 11.260 3.980 0.407 1.00 0.00 H new ATOM 0 HA LYS A 28 14.015 4.836 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.216 7.106 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.079 6.273 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.383 6.365 0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.453 5.979 1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.744 8.264 2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.403 8.360 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.337 8.541 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.861 8.946 0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.135 10.932 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.047 10.738 1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.478 10.345 0.371 1.00 0.00 H new ATOM 458 N GLY A 29 13.758 3.788 2.295 1.00 0.00 N ATOM 459 CA GLY A 29 14.245 3.692 3.696 1.00 0.00 C ATOM 460 C GLY A 29 13.115 3.986 4.691 1.00 0.00 C ATOM 461 O GLY A 29 13.344 4.019 5.887 1.00 0.00 O ATOM 0 H GLY A 29 13.534 2.896 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.645 2.695 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.063 4.396 3.850 1.00 0.00 H new ATOM 465 N GLN A 30 11.902 4.200 4.223 1.00 0.00 N ATOM 466 CA GLN A 30 10.782 4.490 5.172 1.00 0.00 C ATOM 467 C GLN A 30 9.476 3.857 4.669 1.00 0.00 C ATOM 468 O GLN A 30 9.193 3.878 3.484 1.00 0.00 O ATOM 469 CB GLN A 30 10.603 6.006 5.325 1.00 0.00 C ATOM 470 CG GLN A 30 10.299 6.644 3.966 1.00 0.00 C ATOM 471 CD GLN A 30 8.980 7.418 4.044 1.00 0.00 C ATOM 472 OE1 GLN A 30 8.967 8.587 4.374 1.00 0.00 O ATOM 473 NE2 GLN A 30 7.861 6.811 3.752 1.00 0.00 N ATOM 0 H GLN A 30 11.645 4.186 3.236 1.00 0.00 H new ATOM 0 HA GLN A 30 11.028 4.060 6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.792 6.215 6.022 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.507 6.445 5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.109 7.314 3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.235 5.874 3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.871 5.829 3.475 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.978 7.319 3.801 1.00 0.00 H new ATOM 482 N PRO A 31 8.718 3.312 5.599 1.00 0.00 N ATOM 483 CA PRO A 31 7.428 2.661 5.292 1.00 0.00 C ATOM 484 C PRO A 31 6.425 3.695 4.764 1.00 0.00 C ATOM 485 O PRO A 31 6.188 4.717 5.386 1.00 0.00 O ATOM 486 CB PRO A 31 6.948 2.084 6.632 1.00 0.00 C ATOM 487 CG PRO A 31 7.970 2.502 7.718 1.00 0.00 C ATOM 488 CD PRO A 31 9.089 3.294 7.028 1.00 0.00 C ATOM 0 HA PRO A 31 7.525 1.892 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.955 2.460 6.877 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.872 0.998 6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.487 3.110 8.483 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.377 1.623 8.219 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.163 4.305 7.430 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.059 2.820 7.178 1.00 0.00 H new ATOM 496 N MET A 32 5.835 3.430 3.625 1.00 0.00 N ATOM 497 CA MET A 32 4.840 4.386 3.045 1.00 0.00 C ATOM 498 C MET A 32 3.583 3.623 2.609 1.00 0.00 C ATOM 499 O MET A 32 3.442 2.441 2.866 1.00 0.00 O ATOM 500 CB MET A 32 5.433 5.153 1.843 1.00 0.00 C ATOM 501 CG MET A 32 6.793 4.586 1.415 1.00 0.00 C ATOM 502 SD MET A 32 6.605 3.747 -0.172 1.00 0.00 S ATOM 503 CE MET A 32 5.326 2.576 0.339 1.00 0.00 C ATOM 0 H MET A 32 6.000 2.590 3.070 1.00 0.00 H new ATOM 0 HA MET A 32 4.579 5.114 3.813 1.00 0.00 H new ATOM 0 HB2 MET A 32 4.739 5.104 1.004 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.545 6.205 2.104 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.526 5.388 1.333 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.165 3.890 2.167 1.00 0.00 H new ATOM 0 HE1 MET A 32 5.462 1.634 -0.192 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.401 2.401 1.412 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.343 2.986 0.106 1.00 0.00 H new ATOM 513 N THR A 33 2.672 4.297 1.955 1.00 0.00 N ATOM 514 CA THR A 33 1.419 3.637 1.495 1.00 0.00 C ATOM 515 C THR A 33 1.327 3.769 -0.032 1.00 0.00 C ATOM 516 O THR A 33 0.648 4.630 -0.565 1.00 0.00 O ATOM 517 CB THR A 33 0.208 4.291 2.178 1.00 0.00 C ATOM 518 OG1 THR A 33 0.404 5.699 2.276 1.00 0.00 O ATOM 519 CG2 THR A 33 0.037 3.700 3.580 1.00 0.00 C ATOM 0 H THR A 33 2.746 5.287 1.719 1.00 0.00 H new ATOM 0 HA THR A 33 1.426 2.580 1.762 1.00 0.00 H new ATOM 0 HB THR A 33 -0.686 4.097 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.373 6.108 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.822 4.162 4.067 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.124 2.625 3.504 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.935 3.892 4.168 1.00 0.00 H new ATOM 527 N PHE A 34 2.034 2.910 -0.724 1.00 0.00 N ATOM 528 CA PHE A 34 2.054 2.925 -2.219 1.00 0.00 C ATOM 529 C PHE A 34 0.641 2.732 -2.787 1.00 0.00 C ATOM 530 O PHE A 34 -0.247 2.240 -2.112 1.00 0.00 O ATOM 531 CB PHE A 34 2.932 1.771 -2.700 1.00 0.00 C ATOM 532 CG PHE A 34 4.362 2.223 -2.867 1.00 0.00 C ATOM 533 CD1 PHE A 34 4.656 3.383 -3.585 1.00 0.00 C ATOM 534 CD2 PHE A 34 5.395 1.462 -2.318 1.00 0.00 C ATOM 535 CE1 PHE A 34 5.986 3.786 -3.754 1.00 0.00 C ATOM 536 CE2 PHE A 34 6.727 1.860 -2.488 1.00 0.00 C ATOM 537 CZ PHE A 34 7.021 3.023 -3.208 1.00 0.00 C ATOM 0 H PHE A 34 2.612 2.182 -0.304 1.00 0.00 H new ATOM 0 HA PHE A 34 2.441 3.886 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.886 0.950 -1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.553 1.390 -3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.856 3.971 -4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.167 0.565 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.212 4.686 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.526 1.270 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.048 3.331 -3.342 1.00 0.00 H new ATOM 547 N ARG A 35 0.433 3.104 -4.032 1.00 0.00 N ATOM 548 CA ARG A 35 -0.908 2.930 -4.644 1.00 0.00 C ATOM 549 C ARG A 35 -1.005 1.542 -5.295 1.00 0.00 C ATOM 550 O ARG A 35 -0.371 1.257 -6.296 1.00 0.00 O ATOM 551 CB ARG A 35 -1.174 4.046 -5.674 1.00 0.00 C ATOM 552 CG ARG A 35 -0.586 3.710 -7.056 1.00 0.00 C ATOM 553 CD ARG A 35 -0.418 5.004 -7.858 1.00 0.00 C ATOM 554 NE ARG A 35 -1.290 4.994 -9.073 1.00 0.00 N ATOM 555 CZ ARG A 35 -1.351 3.949 -9.857 1.00 0.00 C ATOM 556 NH1 ARG A 35 -0.283 3.556 -10.504 1.00 0.00 N ATOM 557 NH2 ARG A 35 -2.478 3.305 -10.001 1.00 0.00 N ATOM 0 H ARG A 35 1.138 3.519 -4.641 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.670 3.001 -3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.248 4.205 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.743 4.981 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.376 3.210 -6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.243 3.021 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.669 5.860 -7.232 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.624 5.121 -8.154 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.848 5.818 -9.295 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.595 4.065 -10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.328 2.741 -11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.311 3.617 -9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.525 2.490 -10.613 1.00 0.00 H new ATOM 571 N LEU A 36 -1.826 0.686 -4.743 1.00 0.00 N ATOM 572 CA LEU A 36 -2.016 -0.671 -5.349 1.00 0.00 C ATOM 573 C LEU A 36 -2.751 -0.450 -6.675 1.00 0.00 C ATOM 574 O LEU A 36 -2.531 -1.129 -7.660 1.00 0.00 O ATOM 575 CB LEU A 36 -2.866 -1.544 -4.416 1.00 0.00 C ATOM 576 CG LEU A 36 -2.842 -2.998 -4.900 1.00 0.00 C ATOM 577 CD1 LEU A 36 -2.771 -3.938 -3.696 1.00 0.00 C ATOM 578 CD2 LEU A 36 -4.116 -3.293 -5.697 1.00 0.00 C ATOM 0 H LEU A 36 -2.373 0.865 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.063 -1.177 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.483 -1.484 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.892 -1.176 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.969 -3.152 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.754 -4.972 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.865 -3.731 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.643 -3.782 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.099 -4.327 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.987 -3.137 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.170 -2.625 -6.557 1.00 0.00 H new ATOM 590 N LEU A 37 -3.599 0.547 -6.673 1.00 0.00 N ATOM 591 CA LEU A 37 -4.378 0.950 -7.876 1.00 0.00 C ATOM 592 C LEU A 37 -4.845 2.399 -7.632 1.00 0.00 C ATOM 593 O LEU A 37 -5.890 2.818 -8.098 1.00 0.00 O ATOM 594 CB LEU A 37 -5.586 0.018 -8.040 1.00 0.00 C ATOM 595 CG LEU A 37 -6.005 -0.034 -9.512 1.00 0.00 C ATOM 596 CD1 LEU A 37 -5.749 -1.437 -10.069 1.00 0.00 C ATOM 597 CD2 LEU A 37 -7.496 0.294 -9.626 1.00 0.00 C ATOM 0 H LEU A 37 -3.788 1.119 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.779 0.885 -8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.335 -0.983 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.416 0.372 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.425 0.693 -10.081 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.048 -1.473 -11.117 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.688 -1.674 -9.986 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.329 -2.165 -9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.797 0.258 -10.673 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.073 -0.434 -9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.680 1.293 -9.230 1.00 0.00 H new ATOM 609 N LEU A 38 -4.062 3.142 -6.859 1.00 0.00 N ATOM 610 CA LEU A 38 -4.398 4.553 -6.490 1.00 0.00 C ATOM 611 C LEU A 38 -5.842 4.634 -5.968 1.00 0.00 C ATOM 612 O LEU A 38 -6.495 5.659 -6.042 1.00 0.00 O ATOM 613 CB LEU A 38 -4.136 5.481 -7.684 1.00 0.00 C ATOM 614 CG LEU A 38 -5.391 5.666 -8.554 1.00 0.00 C ATOM 615 CD1 LEU A 38 -5.843 7.128 -8.497 1.00 0.00 C ATOM 616 CD2 LEU A 38 -5.067 5.299 -10.005 1.00 0.00 C ATOM 0 H LEU A 38 -3.183 2.809 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.754 4.891 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.799 6.452 -7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.330 5.071 -8.292 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.186 5.021 -8.180 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.732 7.258 -9.114 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.074 7.398 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.045 7.770 -8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.957 5.430 -10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.271 5.945 -10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.742 4.260 -10.054 1.00 0.00 H new ATOM 628 N VAL A 39 -6.323 3.544 -5.410 1.00 0.00 N ATOM 629 CA VAL A 39 -7.705 3.509 -4.848 1.00 0.00 C ATOM 630 C VAL A 39 -7.776 4.431 -3.621 1.00 0.00 C ATOM 631 O VAL A 39 -7.401 4.054 -2.523 1.00 0.00 O ATOM 632 CB VAL A 39 -8.047 2.070 -4.437 1.00 0.00 C ATOM 633 CG1 VAL A 39 -9.456 2.027 -3.836 1.00 0.00 C ATOM 634 CG2 VAL A 39 -7.991 1.154 -5.663 1.00 0.00 C ATOM 0 H VAL A 39 -5.806 2.669 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.419 3.850 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.324 1.729 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.696 1.004 -3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.497 2.673 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.178 2.373 -4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.234 0.134 -5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.710 1.497 -6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.988 1.178 -6.090 1.00 0.00 H new ATOM 644 N ASP A 40 -8.245 5.640 -3.811 1.00 0.00 N ATOM 645 CA ASP A 40 -8.342 6.607 -2.674 1.00 0.00 C ATOM 646 C ASP A 40 -9.515 7.573 -2.919 1.00 0.00 C ATOM 647 O ASP A 40 -9.381 8.779 -2.787 1.00 0.00 O ATOM 648 CB ASP A 40 -7.022 7.386 -2.567 1.00 0.00 C ATOM 649 CG ASP A 40 -6.873 7.977 -1.160 1.00 0.00 C ATOM 650 OD1 ASP A 40 -6.597 7.219 -0.244 1.00 0.00 O ATOM 651 OD2 ASP A 40 -7.031 9.180 -1.024 1.00 0.00 O ATOM 0 H ASP A 40 -8.566 6.000 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.520 6.071 -1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.182 6.726 -2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.000 8.184 -3.309 1.00 0.00 H new ATOM 656 N THR A 41 -10.666 7.049 -3.279 1.00 0.00 N ATOM 657 CA THR A 41 -11.849 7.915 -3.539 1.00 0.00 C ATOM 658 C THR A 41 -13.083 7.321 -2.831 1.00 0.00 C ATOM 659 O THR A 41 -13.511 6.226 -3.154 1.00 0.00 O ATOM 660 CB THR A 41 -12.077 7.983 -5.058 1.00 0.00 C ATOM 661 OG1 THR A 41 -11.323 9.060 -5.597 1.00 0.00 O ATOM 662 CG2 THR A 41 -13.559 8.197 -5.363 1.00 0.00 C ATOM 0 H THR A 41 -10.831 6.050 -3.403 1.00 0.00 H new ATOM 0 HA THR A 41 -11.681 8.920 -3.153 1.00 0.00 H new ATOM 0 HB THR A 41 -11.757 7.043 -5.508 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.464 9.106 -6.566 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.705 8.243 -6.442 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.138 7.369 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.892 9.131 -4.911 1.00 0.00 H new ATOM 670 N PRO A 42 -13.618 8.067 -1.884 1.00 0.00 N ATOM 671 CA PRO A 42 -14.809 7.642 -1.114 1.00 0.00 C ATOM 672 C PRO A 42 -16.041 7.541 -2.029 1.00 0.00 C ATOM 673 O PRO A 42 -16.075 8.109 -3.108 1.00 0.00 O ATOM 674 CB PRO A 42 -15.012 8.747 -0.066 1.00 0.00 C ATOM 675 CG PRO A 42 -13.949 9.845 -0.322 1.00 0.00 C ATOM 676 CD PRO A 42 -13.075 9.385 -1.500 1.00 0.00 C ATOM 0 HA PRO A 42 -14.674 6.659 -0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.017 9.163 -0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.908 8.342 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.429 10.796 -0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.339 10.002 0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.127 10.090 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.027 9.311 -1.209 1.00 0.00 H new ATOM 684 N GLU A 43 -17.053 6.823 -1.600 1.00 0.00 N ATOM 685 CA GLU A 43 -18.288 6.674 -2.423 1.00 0.00 C ATOM 686 C GLU A 43 -19.519 6.826 -1.514 1.00 0.00 C ATOM 687 O GLU A 43 -19.653 6.140 -0.515 1.00 0.00 O ATOM 688 CB GLU A 43 -18.276 5.292 -3.104 1.00 0.00 C ATOM 689 CG GLU A 43 -19.664 4.642 -3.039 1.00 0.00 C ATOM 690 CD GLU A 43 -19.809 3.609 -4.161 1.00 0.00 C ATOM 691 OE1 GLU A 43 -19.371 2.486 -3.966 1.00 0.00 O ATOM 692 OE2 GLU A 43 -20.359 3.956 -5.194 1.00 0.00 O ATOM 0 H GLU A 43 -17.072 6.331 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 43 -18.327 7.443 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -17.966 5.396 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -17.544 4.648 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -19.805 4.162 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -20.437 5.405 -3.133 1.00 0.00 H new ATOM 699 N THR A 44 -20.414 7.720 -1.861 1.00 0.00 N ATOM 700 CA THR A 44 -21.644 7.927 -1.034 1.00 0.00 C ATOM 701 C THR A 44 -22.682 6.846 -1.376 1.00 0.00 C ATOM 702 O THR A 44 -22.798 6.421 -2.513 1.00 0.00 O ATOM 703 CB THR A 44 -22.226 9.325 -1.309 1.00 0.00 C ATOM 704 OG1 THR A 44 -23.268 9.595 -0.379 1.00 0.00 O ATOM 705 CG2 THR A 44 -22.784 9.396 -2.736 1.00 0.00 C ATOM 0 H THR A 44 -20.345 8.317 -2.685 1.00 0.00 H new ATOM 0 HA THR A 44 -21.387 7.853 0.023 1.00 0.00 H new ATOM 0 HB THR A 44 -21.434 10.066 -1.201 1.00 0.00 H new ATOM 0 HG1 THR A 44 -23.638 10.486 -0.552 1.00 0.00 H new ATOM 0 HG21 THR A 44 -23.193 10.390 -2.918 1.00 0.00 H new ATOM 0 HG22 THR A 44 -21.985 9.196 -3.450 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.572 8.652 -2.856 1.00 0.00 H new ATOM 713 N LYS A 45 -23.433 6.399 -0.395 1.00 0.00 N ATOM 714 CA LYS A 45 -24.464 5.344 -0.645 1.00 0.00 C ATOM 715 C LYS A 45 -25.613 5.482 0.365 1.00 0.00 C ATOM 716 O LYS A 45 -25.462 6.082 1.416 1.00 0.00 O ATOM 717 CB LYS A 45 -23.821 3.960 -0.500 1.00 0.00 C ATOM 718 CG LYS A 45 -23.479 3.401 -1.884 1.00 0.00 C ATOM 719 CD LYS A 45 -23.322 1.882 -1.799 1.00 0.00 C ATOM 720 CE LYS A 45 -22.626 1.366 -3.060 1.00 0.00 C ATOM 721 NZ LYS A 45 -22.632 -0.125 -3.058 1.00 0.00 N ATOM 0 H LYS A 45 -23.374 6.722 0.571 1.00 0.00 H new ATOM 0 HA LYS A 45 -24.860 5.462 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.919 4.030 0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.502 3.284 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -24.265 3.656 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.557 3.852 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.741 1.615 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.299 1.411 -1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.135 1.741 -3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.601 1.736 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.159 -0.475 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.128 -0.473 -2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.614 -0.468 -3.040 1.00 0.00 H new ATOM 735 N HIS A 46 -26.758 4.924 0.048 1.00 0.00 N ATOM 736 CA HIS A 46 -27.931 5.008 0.978 1.00 0.00 C ATOM 737 C HIS A 46 -27.780 3.966 2.103 1.00 0.00 C ATOM 738 O HIS A 46 -26.999 3.039 1.983 1.00 0.00 O ATOM 739 CB HIS A 46 -29.230 4.754 0.191 1.00 0.00 C ATOM 740 CG HIS A 46 -29.284 3.325 -0.291 1.00 0.00 C ATOM 741 ND1 HIS A 46 -28.756 2.936 -1.513 1.00 0.00 N ATOM 742 CD2 HIS A 46 -29.807 2.188 0.271 1.00 0.00 C ATOM 743 CE1 HIS A 46 -28.973 1.615 -1.645 1.00 0.00 C ATOM 744 NE2 HIS A 46 -29.610 1.109 -0.586 1.00 0.00 N ATOM 0 H HIS A 46 -26.931 4.412 -0.817 1.00 0.00 H new ATOM 0 HA HIS A 46 -27.972 6.002 1.423 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.093 4.964 0.824 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -29.286 5.433 -0.660 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -30.297 2.138 1.232 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -28.669 1.034 -2.503 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -29.892 0.140 -0.437 1.00 0.00 H new ATOM 752 N PRO A 47 -28.532 4.155 3.171 1.00 0.00 N ATOM 753 CA PRO A 47 -28.498 3.245 4.338 1.00 0.00 C ATOM 754 C PRO A 47 -28.898 1.818 3.924 1.00 0.00 C ATOM 755 O PRO A 47 -30.043 1.550 3.608 1.00 0.00 O ATOM 756 CB PRO A 47 -29.516 3.833 5.326 1.00 0.00 C ATOM 757 CG PRO A 47 -30.115 5.110 4.684 1.00 0.00 C ATOM 758 CD PRO A 47 -29.470 5.288 3.301 1.00 0.00 C ATOM 0 HA PRO A 47 -27.502 3.171 4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -30.302 3.109 5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -29.034 4.072 6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -31.197 5.019 4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -29.920 5.980 5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -30.220 5.273 2.510 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -28.949 6.243 3.228 1.00 0.00 H new ATOM 766 N LYS A 48 -27.951 0.907 3.930 1.00 0.00 N ATOM 767 CA LYS A 48 -28.249 -0.510 3.543 1.00 0.00 C ATOM 768 C LYS A 48 -27.123 -1.433 4.033 1.00 0.00 C ATOM 769 O LYS A 48 -26.019 -0.990 4.304 1.00 0.00 O ATOM 770 CB LYS A 48 -28.370 -0.618 2.016 1.00 0.00 C ATOM 771 CG LYS A 48 -27.071 -0.148 1.351 1.00 0.00 C ATOM 772 CD LYS A 48 -27.004 -0.681 -0.082 1.00 0.00 C ATOM 773 CE LYS A 48 -25.891 -1.727 -0.190 1.00 0.00 C ATOM 774 NZ LYS A 48 -25.617 -2.017 -1.627 1.00 0.00 N ATOM 0 H LYS A 48 -26.980 1.086 4.188 1.00 0.00 H new ATOM 0 HA LYS A 48 -29.190 -0.812 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -28.581 -1.649 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -29.207 -0.013 1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -27.026 0.941 1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -26.211 -0.500 1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -27.960 -1.123 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -26.816 0.138 -0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -24.987 -1.362 0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -26.185 -2.641 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -24.861 -2.727 -1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -26.480 -2.382 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -25.319 -1.144 -2.107 1.00 0.00 H new ATOM 788 N LYS A 49 -27.396 -2.713 4.144 1.00 0.00 N ATOM 789 CA LYS A 49 -26.346 -3.674 4.611 1.00 0.00 C ATOM 790 C LYS A 49 -25.272 -3.832 3.525 1.00 0.00 C ATOM 791 O LYS A 49 -25.575 -3.942 2.350 1.00 0.00 O ATOM 792 CB LYS A 49 -26.982 -5.039 4.920 1.00 0.00 C ATOM 793 CG LYS A 49 -27.654 -5.612 3.665 1.00 0.00 C ATOM 794 CD LYS A 49 -26.798 -6.749 3.096 1.00 0.00 C ATOM 795 CE LYS A 49 -27.276 -8.087 3.664 1.00 0.00 C ATOM 796 NZ LYS A 49 -26.336 -9.169 3.252 1.00 0.00 N ATOM 0 H LYS A 49 -28.301 -3.133 3.931 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.885 -3.286 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -26.219 -5.730 5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -27.717 -4.933 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -28.650 -5.981 3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -27.779 -4.829 2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -26.866 -6.759 2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -25.750 -6.589 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.331 -8.033 4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.281 -8.308 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -26.662 -10.078 3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -26.305 -9.225 2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -25.384 -8.959 3.616 1.00 0.00 H new ATOM 810 N GLY A 50 -24.019 -3.836 3.916 1.00 0.00 N ATOM 811 CA GLY A 50 -22.913 -3.982 2.919 1.00 0.00 C ATOM 812 C GLY A 50 -22.455 -5.441 2.862 1.00 0.00 C ATOM 813 O GLY A 50 -23.263 -6.354 2.830 1.00 0.00 O ATOM 0 H GLY A 50 -23.715 -3.744 4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.253 -3.660 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -22.077 -3.339 3.193 1.00 0.00 H new ATOM 817 N VAL A 51 -21.162 -5.664 2.844 1.00 0.00 N ATOM 818 CA VAL A 51 -20.629 -7.059 2.786 1.00 0.00 C ATOM 819 C VAL A 51 -19.169 -7.074 3.265 1.00 0.00 C ATOM 820 O VAL A 51 -18.384 -6.207 2.922 1.00 0.00 O ATOM 821 CB VAL A 51 -20.715 -7.583 1.342 1.00 0.00 C ATOM 822 CG1 VAL A 51 -19.835 -6.734 0.418 1.00 0.00 C ATOM 823 CG2 VAL A 51 -20.245 -9.040 1.294 1.00 0.00 C ATOM 0 H VAL A 51 -20.450 -4.934 2.867 1.00 0.00 H new ATOM 0 HA VAL A 51 -21.223 -7.703 3.435 1.00 0.00 H new ATOM 0 HB VAL A 51 -21.750 -7.520 1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -19.904 -7.115 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -20.175 -5.699 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -18.799 -6.784 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -20.307 -9.409 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -19.213 -9.101 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -20.880 -9.649 1.938 1.00 0.00 H new ATOM 833 N GLU A 52 -18.807 -8.057 4.055 1.00 0.00 N ATOM 834 CA GLU A 52 -17.403 -8.147 4.563 1.00 0.00 C ATOM 835 C GLU A 52 -16.454 -8.409 3.387 1.00 0.00 C ATOM 836 O GLU A 52 -16.605 -9.375 2.659 1.00 0.00 O ATOM 837 CB GLU A 52 -17.298 -9.291 5.579 1.00 0.00 C ATOM 838 CG GLU A 52 -15.997 -9.154 6.376 1.00 0.00 C ATOM 839 CD GLU A 52 -16.069 -10.022 7.638 1.00 0.00 C ATOM 840 OE1 GLU A 52 -15.834 -11.216 7.528 1.00 0.00 O ATOM 841 OE2 GLU A 52 -16.358 -9.478 8.692 1.00 0.00 O ATOM 0 H GLU A 52 -19.427 -8.803 4.370 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.128 -7.211 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.154 -9.271 6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -17.321 -10.251 5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.149 -9.458 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.835 -8.111 6.649 1.00 0.00 H new ATOM 848 N LYS A 53 -15.484 -7.545 3.191 1.00 0.00 N ATOM 849 CA LYS A 53 -14.525 -7.723 2.058 1.00 0.00 C ATOM 850 C LYS A 53 -13.083 -7.709 2.580 1.00 0.00 C ATOM 851 O LYS A 53 -12.746 -6.968 3.486 1.00 0.00 O ATOM 852 CB LYS A 53 -14.712 -6.580 1.054 1.00 0.00 C ATOM 853 CG LYS A 53 -15.733 -6.994 -0.010 1.00 0.00 C ATOM 854 CD LYS A 53 -15.049 -7.062 -1.378 1.00 0.00 C ATOM 855 CE LYS A 53 -14.323 -8.402 -1.524 1.00 0.00 C ATOM 856 NZ LYS A 53 -13.089 -8.215 -2.340 1.00 0.00 N ATOM 0 H LYS A 53 -15.317 -6.722 3.770 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.719 -8.680 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.052 -5.682 1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.760 -6.336 0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.163 -7.964 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.555 -6.278 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.788 -6.949 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.341 -6.240 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.065 -8.797 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.978 -9.132 -1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.615 -9.132 -2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.344 -7.825 -3.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.447 -7.558 -1.853 1.00 0.00 H new ATOM 870 N TYR A 54 -12.233 -8.527 2.003 1.00 0.00 N ATOM 871 CA TYR A 54 -10.804 -8.579 2.442 1.00 0.00 C ATOM 872 C TYR A 54 -9.891 -8.569 1.210 1.00 0.00 C ATOM 873 O TYR A 54 -9.048 -7.704 1.064 1.00 0.00 O ATOM 874 CB TYR A 54 -10.558 -9.861 3.247 1.00 0.00 C ATOM 875 CG TYR A 54 -11.115 -9.704 4.642 1.00 0.00 C ATOM 876 CD1 TYR A 54 -10.483 -8.856 5.560 1.00 0.00 C ATOM 877 CD2 TYR A 54 -12.266 -10.408 5.017 1.00 0.00 C ATOM 878 CE1 TYR A 54 -11.001 -8.714 6.853 1.00 0.00 C ATOM 879 CE2 TYR A 54 -12.782 -10.265 6.309 1.00 0.00 C ATOM 880 CZ TYR A 54 -12.151 -9.419 7.228 1.00 0.00 C ATOM 881 OH TYR A 54 -12.663 -9.279 8.502 1.00 0.00 O ATOM 0 H TYR A 54 -12.471 -9.164 1.243 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.586 -7.712 3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -11.030 -10.709 2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.490 -10.073 3.294 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.596 -8.312 5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -12.755 -11.061 4.309 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.513 -8.061 7.561 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -13.669 -10.809 6.598 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.463 -9.837 8.596 1.00 0.00 H new ATOM 891 N GLY A 55 -10.055 -9.529 0.326 1.00 0.00 N ATOM 892 CA GLY A 55 -9.203 -9.589 -0.902 1.00 0.00 C ATOM 893 C GLY A 55 -10.094 -9.707 -2.147 1.00 0.00 C ATOM 894 O GLY A 55 -10.999 -10.521 -2.179 1.00 0.00 O ATOM 0 H GLY A 55 -10.746 -10.275 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.584 -8.695 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.527 -10.442 -0.845 1.00 0.00 H new ATOM 898 N PRO A 56 -9.806 -8.885 -3.138 1.00 0.00 N ATOM 899 CA PRO A 56 -10.564 -8.868 -4.411 1.00 0.00 C ATOM 900 C PRO A 56 -10.375 -10.188 -5.183 1.00 0.00 C ATOM 901 O PRO A 56 -10.029 -11.210 -4.616 1.00 0.00 O ATOM 902 CB PRO A 56 -9.965 -7.690 -5.201 1.00 0.00 C ATOM 903 CG PRO A 56 -8.801 -7.101 -4.367 1.00 0.00 C ATOM 904 CD PRO A 56 -8.707 -7.903 -3.063 1.00 0.00 C ATOM 0 HA PRO A 56 -11.636 -8.760 -4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.606 -8.026 -6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.724 -6.930 -5.387 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.865 -7.162 -4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.978 -6.047 -4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.740 -8.399 -2.973 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.815 -7.256 -2.193 1.00 0.00 H new ATOM 912 N GLU A 57 -10.599 -10.167 -6.478 1.00 0.00 N ATOM 913 CA GLU A 57 -10.429 -11.407 -7.302 1.00 0.00 C ATOM 914 C GLU A 57 -9.212 -11.238 -8.220 1.00 0.00 C ATOM 915 O GLU A 57 -8.217 -11.924 -8.066 1.00 0.00 O ATOM 916 CB GLU A 57 -11.691 -11.685 -8.144 1.00 0.00 C ATOM 917 CG GLU A 57 -12.439 -10.381 -8.466 1.00 0.00 C ATOM 918 CD GLU A 57 -13.131 -10.508 -9.828 1.00 0.00 C ATOM 919 OE1 GLU A 57 -12.478 -10.258 -10.829 1.00 0.00 O ATOM 920 OE2 GLU A 57 -14.303 -10.848 -9.846 1.00 0.00 O ATOM 0 H GLU A 57 -10.893 -9.341 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.274 -12.256 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.411 -12.186 -9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.351 -12.363 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.176 -10.172 -7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.742 -9.543 -8.478 1.00 0.00 H new ATOM 927 N ALA A 58 -9.277 -10.320 -9.159 1.00 0.00 N ATOM 928 CA ALA A 58 -8.118 -10.089 -10.077 1.00 0.00 C ATOM 929 C ALA A 58 -7.079 -9.222 -9.359 1.00 0.00 C ATOM 930 O ALA A 58 -5.889 -9.470 -9.442 1.00 0.00 O ATOM 931 CB ALA A 58 -8.599 -9.373 -11.342 1.00 0.00 C ATOM 0 H ALA A 58 -10.085 -9.721 -9.327 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.672 -11.044 -10.355 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.753 -9.206 -12.009 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.344 -9.988 -11.847 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.043 -8.415 -11.071 1.00 0.00 H new ATOM 937 N SER A 59 -7.529 -8.213 -8.644 1.00 0.00 N ATOM 938 CA SER A 59 -6.586 -7.323 -7.898 1.00 0.00 C ATOM 939 C SER A 59 -5.956 -8.098 -6.730 1.00 0.00 C ATOM 940 O SER A 59 -4.863 -7.785 -6.296 1.00 0.00 O ATOM 941 CB SER A 59 -7.349 -6.109 -7.361 1.00 0.00 C ATOM 942 OG SER A 59 -6.425 -5.166 -6.829 1.00 0.00 O ATOM 0 H SER A 59 -8.515 -7.970 -8.547 1.00 0.00 H new ATOM 0 HA SER A 59 -5.797 -6.987 -8.570 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.934 -5.651 -8.159 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.053 -6.420 -6.589 1.00 0.00 H new ATOM 0 HG SER A 59 -6.912 -4.388 -6.486 1.00 0.00 H new ATOM 948 N ALA A 60 -6.635 -9.111 -6.225 1.00 0.00 N ATOM 949 CA ALA A 60 -6.075 -9.916 -5.093 1.00 0.00 C ATOM 950 C ALA A 60 -4.725 -10.511 -5.513 1.00 0.00 C ATOM 951 O ALA A 60 -3.779 -10.515 -4.746 1.00 0.00 O ATOM 952 CB ALA A 60 -7.041 -11.047 -4.735 1.00 0.00 C ATOM 0 H ALA A 60 -7.553 -9.411 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.938 -9.272 -4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.629 -11.630 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.001 -10.625 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.182 -11.693 -5.602 1.00 0.00 H new ATOM 958 N PHE A 61 -4.629 -10.995 -6.733 1.00 0.00 N ATOM 959 CA PHE A 61 -3.340 -11.575 -7.225 1.00 0.00 C ATOM 960 C PHE A 61 -2.285 -10.467 -7.268 1.00 0.00 C ATOM 961 O PHE A 61 -1.154 -10.663 -6.866 1.00 0.00 O ATOM 962 CB PHE A 61 -3.532 -12.148 -8.631 1.00 0.00 C ATOM 963 CG PHE A 61 -4.415 -13.374 -8.570 1.00 0.00 C ATOM 964 CD1 PHE A 61 -3.966 -14.533 -7.925 1.00 0.00 C ATOM 965 CD2 PHE A 61 -5.684 -13.350 -9.162 1.00 0.00 C ATOM 966 CE1 PHE A 61 -4.785 -15.667 -7.872 1.00 0.00 C ATOM 967 CE2 PHE A 61 -6.502 -14.483 -9.109 1.00 0.00 C ATOM 968 CZ PHE A 61 -6.054 -15.642 -8.464 1.00 0.00 C ATOM 0 H PHE A 61 -5.393 -11.012 -7.409 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.018 -12.373 -6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.981 -11.397 -9.281 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.565 -12.406 -9.063 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.988 -14.552 -7.468 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.031 -12.456 -9.660 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.438 -16.561 -7.375 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.480 -14.464 -9.566 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.687 -16.516 -8.423 1.00 0.00 H new ATOM 978 N THR A 62 -2.662 -9.298 -7.734 1.00 0.00 N ATOM 979 CA THR A 62 -1.708 -8.148 -7.787 1.00 0.00 C ATOM 980 C THR A 62 -1.265 -7.805 -6.354 1.00 0.00 C ATOM 981 O THR A 62 -0.129 -7.440 -6.121 1.00 0.00 O ATOM 982 CB THR A 62 -2.414 -6.941 -8.434 1.00 0.00 C ATOM 983 OG1 THR A 62 -2.239 -6.994 -9.844 1.00 0.00 O ATOM 984 CG2 THR A 62 -1.836 -5.629 -7.891 1.00 0.00 C ATOM 0 H THR A 62 -3.598 -9.092 -8.082 1.00 0.00 H new ATOM 0 HA THR A 62 -0.831 -8.405 -8.380 1.00 0.00 H new ATOM 0 HB THR A 62 -3.476 -6.980 -8.193 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.056 -6.684 -10.287 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.345 -4.786 -8.358 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.980 -5.587 -6.811 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.771 -5.580 -8.117 1.00 0.00 H new ATOM 992 N LYS A 63 -2.164 -7.930 -5.399 1.00 0.00 N ATOM 993 CA LYS A 63 -1.829 -7.621 -3.973 1.00 0.00 C ATOM 994 C LYS A 63 -0.787 -8.616 -3.430 1.00 0.00 C ATOM 995 O LYS A 63 -0.151 -8.356 -2.422 1.00 0.00 O ATOM 996 CB LYS A 63 -3.107 -7.712 -3.130 1.00 0.00 C ATOM 997 CG LYS A 63 -2.814 -7.268 -1.695 1.00 0.00 C ATOM 998 CD LYS A 63 -4.122 -6.870 -1.006 1.00 0.00 C ATOM 999 CE LYS A 63 -4.915 -8.127 -0.641 1.00 0.00 C ATOM 1000 NZ LYS A 63 -6.308 -7.746 -0.271 1.00 0.00 N ATOM 0 H LYS A 63 -3.125 -8.237 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.410 -6.616 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.885 -7.083 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.484 -8.735 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.332 -8.076 -1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.121 -6.426 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.910 -6.289 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.713 -6.234 -1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.927 -8.819 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.435 -8.644 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.857 -8.603 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.288 -7.128 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.752 -7.241 -1.064 1.00 0.00 H new ATOM 1014 N LYS A 64 -0.598 -9.742 -4.085 1.00 0.00 N ATOM 1015 CA LYS A 64 0.410 -10.737 -3.604 1.00 0.00 C ATOM 1016 C LYS A 64 1.824 -10.170 -3.771 1.00 0.00 C ATOM 1017 O LYS A 64 2.772 -10.687 -3.212 1.00 0.00 O ATOM 1018 CB LYS A 64 0.281 -12.037 -4.402 1.00 0.00 C ATOM 1019 CG LYS A 64 -0.730 -12.955 -3.714 1.00 0.00 C ATOM 1020 CD LYS A 64 -1.911 -13.202 -4.649 1.00 0.00 C ATOM 1021 CE LYS A 64 -2.664 -14.460 -4.209 1.00 0.00 C ATOM 1022 NZ LYS A 64 -3.865 -14.070 -3.415 1.00 0.00 N ATOM 0 H LYS A 64 -1.100 -10.011 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 64 0.228 -10.943 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.041 -11.821 -5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.250 -12.532 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.257 -13.901 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.076 -12.501 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.582 -12.343 -4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.558 -13.318 -5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.965 -15.040 -5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.011 -15.097 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.376 -14.925 -3.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.567 -13.534 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.490 -13.479 -3.999 1.00 0.00 H new ATOM 1036 N MET A 65 1.967 -9.099 -4.519 1.00 0.00 N ATOM 1037 CA MET A 65 3.306 -8.469 -4.717 1.00 0.00 C ATOM 1038 C MET A 65 3.898 -8.025 -3.362 1.00 0.00 C ATOM 1039 O MET A 65 5.067 -7.692 -3.272 1.00 0.00 O ATOM 1040 CB MET A 65 3.134 -7.262 -5.646 1.00 0.00 C ATOM 1041 CG MET A 65 2.551 -6.072 -4.880 1.00 0.00 C ATOM 1042 SD MET A 65 1.494 -5.105 -5.991 1.00 0.00 S ATOM 1043 CE MET A 65 0.192 -4.713 -4.799 1.00 0.00 C ATOM 0 H MET A 65 1.201 -8.632 -5.005 1.00 0.00 H new ATOM 0 HA MET A 65 3.994 -9.188 -5.162 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.097 -6.988 -6.077 1.00 0.00 H new ATOM 0 HB3 MET A 65 2.477 -7.525 -6.475 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.974 -6.423 -4.024 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.354 -5.448 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.764 -5.083 -5.170 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.418 -5.187 -3.844 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.136 -3.633 -4.664 1.00 0.00 H new ATOM 1053 N LEU A 66 3.099 -8.026 -2.317 1.00 0.00 N ATOM 1054 CA LEU A 66 3.593 -7.613 -0.971 1.00 0.00 C ATOM 1055 C LEU A 66 3.443 -8.775 0.031 1.00 0.00 C ATOM 1056 O LEU A 66 3.944 -8.702 1.137 1.00 0.00 O ATOM 1057 CB LEU A 66 2.755 -6.429 -0.480 1.00 0.00 C ATOM 1058 CG LEU A 66 3.539 -5.130 -0.654 1.00 0.00 C ATOM 1059 CD1 LEU A 66 3.695 -4.816 -2.143 1.00 0.00 C ATOM 1060 CD2 LEU A 66 2.777 -3.994 0.027 1.00 0.00 C ATOM 0 H LEU A 66 2.117 -8.299 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 66 4.645 -7.336 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.820 -6.377 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.493 -6.568 0.569 1.00 0.00 H new ATOM 0 HG LEU A 66 4.527 -5.236 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.255 -3.888 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.231 -5.629 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.710 -4.706 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.330 -3.062 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.792 -3.892 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.665 -4.216 1.088 1.00 0.00 H new ATOM 1072 N GLU A 67 2.746 -9.835 -0.330 1.00 0.00 N ATOM 1073 CA GLU A 67 2.568 -10.978 0.617 1.00 0.00 C ATOM 1074 C GLU A 67 3.767 -11.941 0.557 1.00 0.00 C ATOM 1075 O GLU A 67 3.863 -12.854 1.360 1.00 0.00 O ATOM 1076 CB GLU A 67 1.267 -11.726 0.275 1.00 0.00 C ATOM 1077 CG GLU A 67 1.479 -12.664 -0.922 1.00 0.00 C ATOM 1078 CD GLU A 67 1.108 -14.097 -0.529 1.00 0.00 C ATOM 1079 OE1 GLU A 67 1.968 -14.791 -0.009 1.00 0.00 O ATOM 1080 OE2 GLU A 67 -0.028 -14.479 -0.757 1.00 0.00 O ATOM 0 H GLU A 67 2.296 -9.952 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 67 2.508 -10.584 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.934 -12.301 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.479 -11.009 0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.868 -12.338 -1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.518 -12.624 -1.248 1.00 0.00 H new ATOM 1087 N ASN A 68 4.660 -11.782 -0.402 1.00 0.00 N ATOM 1088 CA ASN A 68 5.810 -12.742 -0.510 1.00 0.00 C ATOM 1089 C ASN A 68 6.993 -12.181 -1.334 1.00 0.00 C ATOM 1090 O ASN A 68 8.113 -12.632 -1.176 1.00 0.00 O ATOM 1091 CB ASN A 68 5.294 -14.026 -1.178 1.00 0.00 C ATOM 1092 CG ASN A 68 5.065 -13.794 -2.684 1.00 0.00 C ATOM 1093 OD1 ASN A 68 4.258 -12.843 -3.097 1.00 0.00 O flip ATOM 1094 ND2 ASN A 68 5.632 -14.492 -3.501 1.00 0.00 N flip ATOM 0 H ASN A 68 4.641 -11.041 -1.102 1.00 0.00 H new ATOM 0 HA ASN A 68 6.188 -12.929 0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.012 -14.833 -1.033 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.363 -14.340 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.260 -15.233 -3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.480 -14.337 -4.498 1.00 0.00 H new ATOM 1101 N ALA A 69 6.761 -11.241 -2.224 1.00 0.00 N ATOM 1102 CA ALA A 69 7.878 -10.702 -3.065 1.00 0.00 C ATOM 1103 C ALA A 69 8.842 -9.865 -2.215 1.00 0.00 C ATOM 1104 O ALA A 69 8.452 -8.891 -1.601 1.00 0.00 O ATOM 1105 CB ALA A 69 7.297 -9.839 -4.186 1.00 0.00 C ATOM 0 H ALA A 69 5.847 -10.825 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 69 8.432 -11.538 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.107 -9.445 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.634 -10.444 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.734 -9.011 -3.754 1.00 0.00 H new ATOM 1111 N LYS A 70 10.101 -10.241 -2.192 1.00 0.00 N ATOM 1112 CA LYS A 70 11.113 -9.477 -1.392 1.00 0.00 C ATOM 1113 C LYS A 70 11.637 -8.302 -2.225 1.00 0.00 C ATOM 1114 O LYS A 70 11.611 -7.167 -1.784 1.00 0.00 O ATOM 1115 CB LYS A 70 12.274 -10.400 -1.006 1.00 0.00 C ATOM 1116 CG LYS A 70 12.160 -10.770 0.476 1.00 0.00 C ATOM 1117 CD LYS A 70 12.104 -12.293 0.625 1.00 0.00 C ATOM 1118 CE LYS A 70 12.468 -12.679 2.060 1.00 0.00 C ATOM 1119 NZ LYS A 70 12.421 -14.163 2.207 1.00 0.00 N ATOM 0 H LYS A 70 10.472 -11.047 -2.695 1.00 0.00 H new ATOM 0 HA LYS A 70 10.646 -9.097 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.256 -11.301 -1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.226 -9.904 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.012 -10.372 1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.265 -10.320 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.106 -12.656 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.794 -12.763 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.464 -12.311 2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.775 -12.212 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.669 -14.423 3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.462 -14.503 1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.099 -14.599 1.550 1.00 0.00 H new ATOM 1133 N LYS A 71 12.094 -8.562 -3.432 1.00 0.00 N ATOM 1134 CA LYS A 71 12.595 -7.454 -4.303 1.00 0.00 C ATOM 1135 C LYS A 71 11.381 -6.746 -4.903 1.00 0.00 C ATOM 1136 O LYS A 71 10.427 -7.388 -5.310 1.00 0.00 O ATOM 1137 CB LYS A 71 13.471 -8.025 -5.423 1.00 0.00 C ATOM 1138 CG LYS A 71 14.674 -7.105 -5.657 1.00 0.00 C ATOM 1139 CD LYS A 71 15.788 -7.454 -4.666 1.00 0.00 C ATOM 1140 CE LYS A 71 17.134 -6.981 -5.223 1.00 0.00 C ATOM 1141 NZ LYS A 71 18.243 -7.682 -4.515 1.00 0.00 N ATOM 0 H LYS A 71 12.140 -9.493 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 71 13.195 -6.755 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.812 -9.025 -5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.890 -8.120 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.035 -7.215 -6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.377 -6.063 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.594 -6.981 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.812 -8.530 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.187 -7.183 -6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.233 -5.903 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.156 -7.359 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.196 -7.468 -3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.152 -8.708 -4.657 1.00 0.00 H new ATOM 1155 N ILE A 72 11.385 -5.434 -4.941 1.00 0.00 N ATOM 1156 CA ILE A 72 10.206 -4.709 -5.485 1.00 0.00 C ATOM 1157 C ILE A 72 10.654 -3.415 -6.151 1.00 0.00 C ATOM 1158 O ILE A 72 10.936 -2.429 -5.500 1.00 0.00 O ATOM 1159 CB ILE A 72 9.248 -4.392 -4.337 1.00 0.00 C ATOM 1160 CG1 ILE A 72 8.560 -5.681 -3.866 1.00 0.00 C ATOM 1161 CG2 ILE A 72 8.192 -3.384 -4.791 1.00 0.00 C ATOM 1162 CD1 ILE A 72 7.705 -5.395 -2.629 1.00 0.00 C ATOM 0 H ILE A 72 12.151 -4.842 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 72 9.704 -5.331 -6.226 1.00 0.00 H new ATOM 0 HB ILE A 72 9.817 -3.961 -3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.936 -6.083 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.308 -6.439 -3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.516 -3.167 -3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.681 -2.464 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.625 -3.801 -5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.220 -6.315 -2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.339 -5.014 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.946 -4.653 -2.875 1.00 0.00 H new ATOM 1174 N GLU A 73 10.692 -3.420 -7.447 1.00 0.00 N ATOM 1175 CA GLU A 73 11.090 -2.202 -8.203 1.00 0.00 C ATOM 1176 C GLU A 73 9.877 -1.266 -8.278 1.00 0.00 C ATOM 1177 O GLU A 73 9.311 -1.042 -9.336 1.00 0.00 O ATOM 1178 CB GLU A 73 11.552 -2.603 -9.610 1.00 0.00 C ATOM 1179 CG GLU A 73 13.041 -2.971 -9.571 1.00 0.00 C ATOM 1180 CD GLU A 73 13.820 -2.091 -10.554 1.00 0.00 C ATOM 1181 OE1 GLU A 73 14.243 -1.018 -10.154 1.00 0.00 O ATOM 1182 OE2 GLU A 73 13.982 -2.505 -11.690 1.00 0.00 O ATOM 0 H GLU A 73 10.461 -4.227 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 73 11.914 -1.691 -7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.966 -3.449 -9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.387 -1.781 -10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.431 -2.838 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.172 -4.022 -9.828 1.00 0.00 H new ATOM 1189 N VAL A 74 9.465 -0.740 -7.142 1.00 0.00 N ATOM 1190 CA VAL A 74 8.273 0.170 -7.097 1.00 0.00 C ATOM 1191 C VAL A 74 8.347 1.209 -8.218 1.00 0.00 C ATOM 1192 O VAL A 74 9.287 1.980 -8.317 1.00 0.00 O ATOM 1193 CB VAL A 74 8.158 0.903 -5.745 1.00 0.00 C ATOM 1194 CG1 VAL A 74 7.005 0.306 -4.953 1.00 0.00 C ATOM 1195 CG2 VAL A 74 9.445 0.782 -4.923 1.00 0.00 C ATOM 0 H VAL A 74 9.909 -0.905 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 74 7.392 -0.458 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 74 7.983 1.960 -5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.917 0.819 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.078 0.424 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.192 -0.754 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.324 1.311 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.653 -0.270 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.275 1.218 -5.480 1.00 0.00 H new ATOM 1205 N GLU A 75 7.344 1.221 -9.053 1.00 0.00 N ATOM 1206 CA GLU A 75 7.286 2.182 -10.188 1.00 0.00 C ATOM 1207 C GLU A 75 6.520 3.431 -9.731 1.00 0.00 C ATOM 1208 O GLU A 75 5.311 3.511 -9.866 1.00 0.00 O ATOM 1209 CB GLU A 75 6.560 1.481 -11.341 1.00 0.00 C ATOM 1210 CG GLU A 75 6.583 2.331 -12.606 1.00 0.00 C ATOM 1211 CD GLU A 75 6.629 1.407 -13.833 1.00 0.00 C ATOM 1212 OE1 GLU A 75 5.578 0.939 -14.237 1.00 0.00 O ATOM 1213 OE2 GLU A 75 7.711 1.187 -14.350 1.00 0.00 O ATOM 0 H GLU A 75 6.545 0.590 -8.993 1.00 0.00 H new ATOM 0 HA GLU A 75 8.279 2.490 -10.515 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.031 0.518 -11.538 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.528 1.279 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.699 2.967 -12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.451 2.991 -12.600 1.00 0.00 H new ATOM 1220 N PHE A 76 7.217 4.401 -9.173 1.00 0.00 N ATOM 1221 CA PHE A 76 6.523 5.642 -8.681 1.00 0.00 C ATOM 1222 C PHE A 76 6.804 6.835 -9.616 1.00 0.00 C ATOM 1223 O PHE A 76 6.947 7.953 -9.161 1.00 0.00 O ATOM 1224 CB PHE A 76 6.971 6.004 -7.246 1.00 0.00 C ATOM 1225 CG PHE A 76 8.388 5.559 -6.984 1.00 0.00 C ATOM 1226 CD1 PHE A 76 9.457 6.274 -7.531 1.00 0.00 C ATOM 1227 CD2 PHE A 76 8.628 4.437 -6.183 1.00 0.00 C ATOM 1228 CE1 PHE A 76 10.770 5.866 -7.279 1.00 0.00 C ATOM 1229 CE2 PHE A 76 9.940 4.029 -5.931 1.00 0.00 C ATOM 1230 CZ PHE A 76 11.013 4.743 -6.479 1.00 0.00 C ATOM 0 H PHE A 76 8.228 4.387 -9.038 1.00 0.00 H new ATOM 0 HA PHE A 76 5.453 5.432 -8.675 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.893 7.081 -7.100 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.301 5.535 -6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.269 7.141 -8.148 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.800 3.887 -5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.597 6.417 -7.701 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.127 3.163 -5.314 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.027 4.427 -6.285 1.00 0.00 H new ATOM 1240 N ASP A 77 6.863 6.600 -10.915 1.00 0.00 N ATOM 1241 CA ASP A 77 7.116 7.701 -11.920 1.00 0.00 C ATOM 1242 C ASP A 77 8.248 8.652 -11.473 1.00 0.00 C ATOM 1243 O ASP A 77 8.980 8.380 -10.538 1.00 0.00 O ATOM 1244 CB ASP A 77 5.814 8.499 -12.147 1.00 0.00 C ATOM 1245 CG ASP A 77 5.416 9.286 -10.891 1.00 0.00 C ATOM 1246 OD1 ASP A 77 6.021 10.315 -10.638 1.00 0.00 O ATOM 1247 OD2 ASP A 77 4.502 8.849 -10.209 1.00 0.00 O ATOM 0 H ASP A 77 6.744 5.675 -11.329 1.00 0.00 H new ATOM 0 HA ASP A 77 7.437 7.234 -12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.947 9.186 -12.982 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.010 7.816 -12.421 1.00 0.00 H new ATOM 1252 N LYS A 78 8.392 9.768 -12.158 1.00 0.00 N ATOM 1253 CA LYS A 78 9.461 10.760 -11.794 1.00 0.00 C ATOM 1254 C LYS A 78 9.101 11.446 -10.467 1.00 0.00 C ATOM 1255 O LYS A 78 8.263 12.332 -10.425 1.00 0.00 O ATOM 1256 CB LYS A 78 9.595 11.834 -12.890 1.00 0.00 C ATOM 1257 CG LYS A 78 8.207 12.253 -13.397 1.00 0.00 C ATOM 1258 CD LYS A 78 8.238 13.717 -13.845 1.00 0.00 C ATOM 1259 CE LYS A 78 6.851 14.126 -14.351 1.00 0.00 C ATOM 1260 NZ LYS A 78 6.687 13.702 -15.772 1.00 0.00 N ATOM 0 H LYS A 78 7.814 10.034 -12.955 1.00 0.00 H new ATOM 0 HA LYS A 78 10.407 10.227 -11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.123 12.702 -12.496 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.190 11.447 -13.717 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.906 11.615 -14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.466 12.120 -12.608 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.537 14.356 -13.014 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.979 13.852 -14.633 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.079 13.667 -13.734 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.727 15.206 -14.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.821 14.125 -16.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.508 14.019 -16.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.617 12.665 -15.819 1.00 0.00 H new ATOM 1274 N GLY A 79 9.724 11.045 -9.381 1.00 0.00 N ATOM 1275 CA GLY A 79 9.422 11.669 -8.064 1.00 0.00 C ATOM 1276 C GLY A 79 8.168 11.029 -7.465 1.00 0.00 C ATOM 1277 O GLY A 79 7.421 10.344 -8.139 1.00 0.00 O ATOM 0 H GLY A 79 10.430 10.309 -9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.267 11.540 -7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.272 12.742 -8.185 1.00 0.00 H new ATOM 1281 N GLN A 80 7.941 11.261 -6.200 1.00 0.00 N ATOM 1282 CA GLN A 80 6.737 10.690 -5.511 1.00 0.00 C ATOM 1283 C GLN A 80 5.465 11.044 -6.300 1.00 0.00 C ATOM 1284 O GLN A 80 4.521 10.276 -6.325 1.00 0.00 O ATOM 1285 CB GLN A 80 6.638 11.262 -4.092 1.00 0.00 C ATOM 1286 CG GLN A 80 7.085 10.200 -3.080 1.00 0.00 C ATOM 1287 CD GLN A 80 6.074 10.122 -1.933 1.00 0.00 C ATOM 1288 OE1 GLN A 80 4.821 9.856 -2.194 1.00 0.00 O flip ATOM 1289 NE2 GLN A 80 6.427 10.304 -0.785 1.00 0.00 N flip ATOM 0 H GLN A 80 8.543 11.828 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 80 6.835 9.606 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.263 12.151 -4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.613 11.570 -3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.169 9.230 -3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.073 10.448 -2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.404 10.512 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.746 10.249 -0.027 1.00 0.00 H new ATOM 1298 N ARG A 81 5.452 12.198 -6.950 1.00 0.00 N ATOM 1299 CA ARG A 81 4.268 12.639 -7.767 1.00 0.00 C ATOM 1300 C ARG A 81 3.210 13.322 -6.886 1.00 0.00 C ATOM 1301 O ARG A 81 2.569 14.265 -7.314 1.00 0.00 O ATOM 1302 CB ARG A 81 3.640 11.440 -8.490 1.00 0.00 C ATOM 1303 CG ARG A 81 2.828 11.929 -9.695 1.00 0.00 C ATOM 1304 CD ARG A 81 3.779 12.314 -10.836 1.00 0.00 C ATOM 1305 NE ARG A 81 3.535 13.727 -11.264 1.00 0.00 N ATOM 1306 CZ ARG A 81 2.319 14.209 -11.309 1.00 0.00 C ATOM 1307 NH1 ARG A 81 1.506 13.846 -12.267 1.00 0.00 N ATOM 1308 NH2 ARG A 81 1.920 15.058 -10.397 1.00 0.00 N ATOM 0 H ARG A 81 6.228 12.860 -6.945 1.00 0.00 H new ATOM 0 HA ARG A 81 4.623 13.359 -8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.419 10.753 -8.819 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.996 10.887 -7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.144 11.148 -10.026 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.218 12.787 -9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.813 12.199 -10.511 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.634 11.641 -11.681 1.00 0.00 H new ATOM 0 HE ARG A 81 4.324 14.320 -11.523 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.819 13.187 -12.980 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.558 14.222 -12.302 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.556 15.343 -9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.973 15.435 -10.430 1.00 0.00 H new ATOM 1322 N THR A 82 3.015 12.860 -5.672 1.00 0.00 N ATOM 1323 CA THR A 82 1.989 13.491 -4.783 1.00 0.00 C ATOM 1324 C THR A 82 2.516 13.559 -3.341 1.00 0.00 C ATOM 1325 O THR A 82 3.196 14.502 -2.979 1.00 0.00 O ATOM 1326 CB THR A 82 0.683 12.682 -4.832 1.00 0.00 C ATOM 1327 OG1 THR A 82 0.970 11.287 -4.829 1.00 0.00 O ATOM 1328 CG2 THR A 82 -0.096 13.048 -6.098 1.00 0.00 C ATOM 0 H THR A 82 3.521 12.076 -5.261 1.00 0.00 H new ATOM 0 HA THR A 82 1.789 14.504 -5.133 1.00 0.00 H new ATOM 0 HB THR A 82 0.082 12.919 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.431 11.046 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.022 12.475 -6.134 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.328 14.113 -6.087 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.507 12.817 -6.976 1.00 0.00 H new ATOM 1336 N ASP A 83 2.201 12.572 -2.522 1.00 0.00 N ATOM 1337 CA ASP A 83 2.668 12.555 -1.096 1.00 0.00 C ATOM 1338 C ASP A 83 1.910 13.606 -0.246 1.00 0.00 C ATOM 1339 O ASP A 83 2.031 13.624 0.966 1.00 0.00 O ATOM 1340 CB ASP A 83 4.199 12.782 -1.054 1.00 0.00 C ATOM 1341 CG ASP A 83 4.577 13.950 -0.128 1.00 0.00 C ATOM 1342 OD1 ASP A 83 4.582 15.077 -0.596 1.00 0.00 O ATOM 1343 OD2 ASP A 83 4.866 13.692 1.030 1.00 0.00 O ATOM 0 H ASP A 83 1.632 11.769 -2.789 1.00 0.00 H new ATOM 0 HA ASP A 83 2.448 11.581 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.692 11.872 -0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.565 12.983 -2.061 1.00 0.00 H new ATOM 1348 N LYS A 84 1.109 14.451 -0.859 1.00 0.00 N ATOM 1349 CA LYS A 84 0.331 15.467 -0.078 1.00 0.00 C ATOM 1350 C LYS A 84 -1.102 14.950 0.105 1.00 0.00 C ATOM 1351 O LYS A 84 -1.777 15.264 1.069 1.00 0.00 O ATOM 1352 CB LYS A 84 0.308 16.797 -0.840 1.00 0.00 C ATOM 1353 CG LYS A 84 1.703 17.431 -0.819 1.00 0.00 C ATOM 1354 CD LYS A 84 2.007 17.973 0.582 1.00 0.00 C ATOM 1355 CE LYS A 84 3.003 17.049 1.286 1.00 0.00 C ATOM 1356 NZ LYS A 84 2.763 17.080 2.757 1.00 0.00 N ATOM 0 H LYS A 84 0.962 14.479 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 84 0.796 15.626 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.011 16.632 -1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.416 17.474 -0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.452 16.692 -1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.757 18.237 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.417 18.980 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.087 18.043 1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.897 16.031 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.023 17.364 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.441 16.451 3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.886 18.051 3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.794 16.759 2.958 1.00 0.00 H new ATOM 1370 N TYR A 85 -1.540 14.138 -0.822 1.00 0.00 N ATOM 1371 CA TYR A 85 -2.902 13.532 -0.774 1.00 0.00 C ATOM 1372 C TYR A 85 -2.896 12.310 -1.702 1.00 0.00 C ATOM 1373 O TYR A 85 -3.475 11.283 -1.394 1.00 0.00 O ATOM 1374 CB TYR A 85 -3.962 14.535 -1.249 1.00 0.00 C ATOM 1375 CG TYR A 85 -5.267 13.802 -1.471 1.00 0.00 C ATOM 1376 CD1 TYR A 85 -6.016 13.357 -0.375 1.00 0.00 C ATOM 1377 CD2 TYR A 85 -5.713 13.547 -2.773 1.00 0.00 C ATOM 1378 CE1 TYR A 85 -7.212 12.659 -0.582 1.00 0.00 C ATOM 1379 CE2 TYR A 85 -6.909 12.852 -2.980 1.00 0.00 C ATOM 1380 CZ TYR A 85 -7.660 12.406 -1.884 1.00 0.00 C ATOM 1381 OH TYR A 85 -8.839 11.716 -2.088 1.00 0.00 O ATOM 0 H TYR A 85 -0.991 13.862 -1.636 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.147 13.247 0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.094 15.323 -0.508 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.638 15.016 -2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.671 13.552 0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.133 13.887 -3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.789 12.315 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.254 12.659 -3.985 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.638 10.784 -2.313 1.00 0.00 H new ATOM 1391 N GLY A 86 -2.215 12.417 -2.828 1.00 0.00 N ATOM 1392 CA GLY A 86 -2.123 11.280 -3.782 1.00 0.00 C ATOM 1393 C GLY A 86 -1.372 10.114 -3.125 1.00 0.00 C ATOM 1394 O GLY A 86 -1.379 9.012 -3.637 1.00 0.00 O ATOM 0 H GLY A 86 -1.717 13.258 -3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.122 10.961 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.605 11.594 -4.688 1.00 0.00 H new ATOM 1398 N ARG A 87 -0.729 10.344 -1.988 1.00 0.00 N ATOM 1399 CA ARG A 87 0.010 9.252 -1.296 1.00 0.00 C ATOM 1400 C ARG A 87 1.241 8.866 -2.121 1.00 0.00 C ATOM 1401 O ARG A 87 1.772 9.665 -2.873 1.00 0.00 O ATOM 1402 CB ARG A 87 -0.929 8.062 -1.188 1.00 0.00 C ATOM 1403 CG ARG A 87 -0.829 7.385 0.179 1.00 0.00 C ATOM 1404 CD ARG A 87 -2.026 6.441 0.338 1.00 0.00 C ATOM 1405 NE ARG A 87 -2.333 5.828 -0.998 1.00 0.00 N ATOM 1406 CZ ARG A 87 -3.262 4.919 -1.124 1.00 0.00 C ATOM 1407 NH1 ARG A 87 -4.441 5.106 -0.586 1.00 0.00 N ATOM 1408 NH2 ARG A 87 -3.018 3.830 -1.800 1.00 0.00 N ATOM 0 H ARG A 87 -0.693 11.249 -1.519 1.00 0.00 H new ATOM 0 HA ARG A 87 0.339 9.572 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.954 8.391 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.693 7.340 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.106 6.830 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.826 8.132 0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.800 5.664 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.892 6.988 0.711 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.808 6.126 -1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.635 5.963 -0.068 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.166 4.395 -0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.103 3.690 -2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.742 3.119 -1.900 1.00 0.00 H new ATOM 1422 N VAL A 88 1.686 7.642 -2.001 1.00 0.00 N ATOM 1423 CA VAL A 88 2.858 7.191 -2.794 1.00 0.00 C ATOM 1424 C VAL A 88 2.324 6.542 -4.070 1.00 0.00 C ATOM 1425 O VAL A 88 2.229 5.334 -4.178 1.00 0.00 O ATOM 1426 CB VAL A 88 3.688 6.183 -1.992 1.00 0.00 C ATOM 1427 CG1 VAL A 88 5.151 6.282 -2.429 1.00 0.00 C ATOM 1428 CG2 VAL A 88 3.595 6.500 -0.496 1.00 0.00 C ATOM 0 H VAL A 88 1.284 6.936 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 88 3.505 8.035 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 88 3.306 5.178 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.749 5.568 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.229 6.058 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.519 7.291 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.188 5.779 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.976 7.505 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.555 6.443 -0.176 1.00 0.00 H new ATOM 1438 N LEU A 89 1.945 7.349 -5.026 1.00 0.00 N ATOM 1439 CA LEU A 89 1.386 6.806 -6.298 1.00 0.00 C ATOM 1440 C LEU A 89 2.470 6.008 -7.031 1.00 0.00 C ATOM 1441 O LEU A 89 3.272 6.551 -7.773 1.00 0.00 O ATOM 1442 CB LEU A 89 0.884 7.962 -7.172 1.00 0.00 C ATOM 1443 CG LEU A 89 -0.151 8.778 -6.389 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -0.515 10.039 -7.172 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -1.410 7.934 -6.163 1.00 0.00 C ATOM 0 H LEU A 89 1.999 8.366 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 89 0.548 6.143 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.718 8.599 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.440 7.574 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 89 0.272 9.062 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.251 10.616 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.379 10.643 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.933 9.759 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.144 8.517 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.832 7.644 -7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.152 7.040 -5.596 1.00 0.00 H new ATOM 1457 N ALA A 90 2.494 4.715 -6.808 1.00 0.00 N ATOM 1458 CA ALA A 90 3.513 3.842 -7.458 1.00 0.00 C ATOM 1459 C ALA A 90 3.041 2.390 -7.441 1.00 0.00 C ATOM 1460 O ALA A 90 2.472 1.924 -6.467 1.00 0.00 O ATOM 1461 CB ALA A 90 4.822 3.928 -6.681 1.00 0.00 C ATOM 0 H ALA A 90 1.842 4.226 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 90 3.657 4.174 -8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.569 3.290 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.175 4.959 -6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.659 3.596 -5.656 1.00 0.00 H new ATOM 1467 N TYR A 91 3.299 1.662 -8.497 1.00 0.00 N ATOM 1468 CA TYR A 91 2.894 0.228 -8.533 1.00 0.00 C ATOM 1469 C TYR A 91 4.026 -0.623 -7.966 1.00 0.00 C ATOM 1470 O TYR A 91 5.129 -0.148 -7.757 1.00 0.00 O ATOM 1471 CB TYR A 91 2.553 -0.184 -9.967 1.00 0.00 C ATOM 1472 CG TYR A 91 1.057 -0.074 -10.177 1.00 0.00 C ATOM 1473 CD1 TYR A 91 0.266 0.643 -9.267 1.00 0.00 C ATOM 1474 CD2 TYR A 91 0.462 -0.694 -11.279 1.00 0.00 C ATOM 1475 CE1 TYR A 91 -1.112 0.737 -9.458 1.00 0.00 C ATOM 1476 CE2 TYR A 91 -0.920 -0.596 -11.471 1.00 0.00 C ATOM 1477 CZ TYR A 91 -1.707 0.118 -10.562 1.00 0.00 C ATOM 1478 OH TYR A 91 -3.072 0.208 -10.753 1.00 0.00 O ATOM 0 H TYR A 91 3.773 2.000 -9.335 1.00 0.00 H new ATOM 0 HA TYR A 91 2.003 0.076 -7.924 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.079 0.455 -10.676 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.884 -1.206 -10.152 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.726 1.124 -8.416 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.068 -1.248 -11.981 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.719 1.287 -8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.380 -1.073 -12.324 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.321 -0.277 -11.567 1.00 0.00 H new ATOM 1488 N ILE A 92 3.757 -1.870 -7.684 1.00 0.00 N ATOM 1489 CA ILE A 92 4.812 -2.743 -7.094 1.00 0.00 C ATOM 1490 C ILE A 92 5.289 -3.740 -8.151 1.00 0.00 C ATOM 1491 O ILE A 92 4.501 -4.444 -8.760 1.00 0.00 O ATOM 1492 CB ILE A 92 4.245 -3.466 -5.867 1.00 0.00 C ATOM 1493 CG1 ILE A 92 3.403 -2.489 -5.020 1.00 0.00 C ATOM 1494 CG2 ILE A 92 5.392 -4.004 -5.019 1.00 0.00 C ATOM 1495 CD1 ILE A 92 4.228 -1.244 -4.646 1.00 0.00 C ATOM 0 H ILE A 92 2.855 -2.320 -7.836 1.00 0.00 H new ATOM 0 HA ILE A 92 5.665 -2.144 -6.775 1.00 0.00 H new ATOM 0 HB ILE A 92 3.614 -4.289 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.515 -2.189 -5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.058 -2.989 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.989 -4.518 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.985 -4.702 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.023 -3.177 -4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.616 -0.568 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.102 -1.547 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.551 -0.735 -5.554 1.00 0.00 H new ATOM 1507 N TYR A 93 6.577 -3.769 -8.396 1.00 0.00 N ATOM 1508 CA TYR A 93 7.132 -4.675 -9.445 1.00 0.00 C ATOM 1509 C TYR A 93 8.146 -5.625 -8.829 1.00 0.00 C ATOM 1510 O TYR A 93 9.310 -5.298 -8.685 1.00 0.00 O ATOM 1511 CB TYR A 93 7.804 -3.823 -10.523 1.00 0.00 C ATOM 1512 CG TYR A 93 6.759 -2.940 -11.144 1.00 0.00 C ATOM 1513 CD1 TYR A 93 6.182 -1.909 -10.399 1.00 0.00 C ATOM 1514 CD2 TYR A 93 6.341 -3.177 -12.449 1.00 0.00 C ATOM 1515 CE1 TYR A 93 5.188 -1.122 -10.960 1.00 0.00 C ATOM 1516 CE2 TYR A 93 5.347 -2.386 -13.018 1.00 0.00 C ATOM 1517 CZ TYR A 93 4.764 -1.355 -12.274 1.00 0.00 C ATOM 1518 OH TYR A 93 3.769 -0.575 -12.830 1.00 0.00 O ATOM 0 H TYR A 93 7.270 -3.200 -7.910 1.00 0.00 H new ATOM 0 HA TYR A 93 6.328 -5.264 -9.886 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.601 -3.220 -10.089 1.00 0.00 H new ATOM 0 HB3 TYR A 93 8.262 -4.460 -11.280 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.510 -1.725 -9.387 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.788 -3.976 -13.022 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.740 -0.327 -10.382 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.026 -2.568 -14.033 1.00 0.00 H new ATOM 0 HH TYR A 93 4.170 0.087 -13.431 1.00 0.00 H new ATOM 1528 N ALA A 94 7.717 -6.802 -8.462 1.00 0.00 N ATOM 1529 CA ALA A 94 8.658 -7.765 -7.855 1.00 0.00 C ATOM 1530 C ALA A 94 9.214 -8.707 -8.931 1.00 0.00 C ATOM 1531 O ALA A 94 9.328 -8.340 -10.087 1.00 0.00 O ATOM 1532 CB ALA A 94 7.932 -8.560 -6.767 1.00 0.00 C ATOM 0 H ALA A 94 6.756 -7.131 -8.559 1.00 0.00 H new ATOM 0 HA ALA A 94 9.494 -7.228 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.622 -9.273 -6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.564 -7.877 -6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.093 -9.097 -7.208 1.00 0.00 H new ATOM 1538 N ASP A 95 9.570 -9.912 -8.545 1.00 0.00 N ATOM 1539 CA ASP A 95 10.133 -10.917 -9.507 1.00 0.00 C ATOM 1540 C ASP A 95 9.394 -10.859 -10.856 1.00 0.00 C ATOM 1541 O ASP A 95 10.003 -10.677 -11.895 1.00 0.00 O ATOM 1542 CB ASP A 95 9.974 -12.311 -8.896 1.00 0.00 C ATOM 1543 CG ASP A 95 10.821 -13.323 -9.676 1.00 0.00 C ATOM 1544 OD1 ASP A 95 11.987 -13.472 -9.347 1.00 0.00 O ATOM 1545 OD2 ASP A 95 10.287 -13.935 -10.588 1.00 0.00 O ATOM 0 H ASP A 95 9.492 -10.247 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 95 11.185 -10.694 -9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.281 -12.296 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.926 -12.609 -8.916 1.00 0.00 H new ATOM 1550 N GLY A 96 8.090 -11.005 -10.840 1.00 0.00 N ATOM 1551 CA GLY A 96 7.296 -10.951 -12.111 1.00 0.00 C ATOM 1552 C GLY A 96 5.922 -10.383 -11.831 1.00 0.00 C ATOM 1553 O GLY A 96 4.958 -10.739 -12.486 1.00 0.00 O ATOM 0 H GLY A 96 7.538 -11.160 -9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.812 -10.334 -12.847 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.207 -11.950 -12.538 1.00 0.00 H new ATOM 1557 N LYS A 97 5.819 -9.489 -10.883 1.00 0.00 N ATOM 1558 CA LYS A 97 4.501 -8.896 -10.599 1.00 0.00 C ATOM 1559 C LYS A 97 4.223 -7.837 -11.656 1.00 0.00 C ATOM 1560 O LYS A 97 3.616 -8.132 -12.668 1.00 0.00 O ATOM 1561 CB LYS A 97 4.461 -8.289 -9.195 1.00 0.00 C ATOM 1562 CG LYS A 97 3.098 -8.587 -8.579 1.00 0.00 C ATOM 1563 CD LYS A 97 3.174 -9.885 -7.772 1.00 0.00 C ATOM 1564 CE LYS A 97 1.776 -10.492 -7.642 1.00 0.00 C ATOM 1565 NZ LYS A 97 1.891 -11.939 -7.301 1.00 0.00 N ATOM 0 H LYS A 97 6.588 -9.153 -10.304 1.00 0.00 H new ATOM 0 HA LYS A 97 3.733 -9.669 -10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.256 -8.708 -8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.628 -7.213 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.791 -7.763 -7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.345 -8.677 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.844 -10.591 -8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.589 -9.687 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.212 -9.969 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.227 -10.370 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.943 -12.367 -7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.472 -12.419 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.338 -12.041 -6.368 1.00 0.00 H new ATOM 1579 N MET A 98 4.634 -6.603 -11.432 1.00 0.00 N ATOM 1580 CA MET A 98 4.352 -5.530 -12.420 1.00 0.00 C ATOM 1581 C MET A 98 2.841 -5.501 -12.620 1.00 0.00 C ATOM 1582 O MET A 98 2.344 -5.029 -13.627 1.00 0.00 O ATOM 1583 CB MET A 98 5.054 -5.834 -13.756 1.00 0.00 C ATOM 1584 CG MET A 98 6.519 -6.211 -13.509 1.00 0.00 C ATOM 1585 SD MET A 98 6.829 -7.879 -14.139 1.00 0.00 S ATOM 1586 CE MET A 98 8.538 -8.022 -13.561 1.00 0.00 C ATOM 0 H MET A 98 5.151 -6.305 -10.605 1.00 0.00 H new ATOM 0 HA MET A 98 4.721 -4.568 -12.063 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.542 -6.649 -14.267 1.00 0.00 H new ATOM 0 HB3 MET A 98 5.000 -4.964 -14.410 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.177 -5.496 -14.003 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.742 -6.166 -12.443 1.00 0.00 H new ATOM 0 HE1 MET A 98 9.028 -8.849 -14.075 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.072 -7.096 -13.772 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.545 -8.208 -12.487 1.00 0.00 H new ATOM 1596 N VAL A 99 2.109 -6.037 -11.651 1.00 0.00 N ATOM 1597 CA VAL A 99 0.640 -6.094 -11.748 1.00 0.00 C ATOM 1598 C VAL A 99 0.253 -6.814 -13.071 1.00 0.00 C ATOM 1599 O VAL A 99 -0.831 -6.635 -13.600 1.00 0.00 O ATOM 1600 CB VAL A 99 0.129 -4.645 -11.656 1.00 0.00 C ATOM 1601 CG1 VAL A 99 -0.379 -4.160 -13.004 1.00 0.00 C ATOM 1602 CG2 VAL A 99 -0.993 -4.567 -10.633 1.00 0.00 C ATOM 0 H VAL A 99 2.495 -6.436 -10.795 1.00 0.00 H new ATOM 0 HA VAL A 99 0.178 -6.667 -10.944 1.00 0.00 H new ATOM 0 HB VAL A 99 0.957 -4.006 -11.350 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.734 -3.134 -12.911 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.430 -4.199 -13.733 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.198 -4.799 -13.336 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.355 -3.541 -10.568 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.810 -5.221 -10.938 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.620 -4.883 -9.659 1.00 0.00 H new ATOM 1612 N ASN A 100 1.151 -7.641 -13.602 1.00 0.00 N ATOM 1613 CA ASN A 100 0.867 -8.369 -14.882 1.00 0.00 C ATOM 1614 C ASN A 100 -0.363 -9.277 -14.746 1.00 0.00 C ATOM 1615 O ASN A 100 -1.075 -9.495 -15.712 1.00 0.00 O ATOM 1616 CB ASN A 100 2.086 -9.221 -15.258 1.00 0.00 C ATOM 1617 CG ASN A 100 2.112 -9.437 -16.774 1.00 0.00 C ATOM 1618 OD1 ASN A 100 2.641 -8.624 -17.506 1.00 0.00 O ATOM 1619 ND2 ASN A 100 1.561 -10.508 -17.279 1.00 0.00 N ATOM 0 H ASN A 100 2.066 -7.835 -13.194 1.00 0.00 H new ATOM 0 HA ASN A 100 0.663 -7.632 -15.659 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.002 -8.726 -14.935 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.044 -10.181 -14.744 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.575 -10.662 -18.287 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.117 -11.191 -16.665 1.00 0.00 H new ATOM 1626 N GLU A 101 -0.617 -9.816 -13.571 1.00 0.00 N ATOM 1627 CA GLU A 101 -1.802 -10.716 -13.389 1.00 0.00 C ATOM 1628 C GLU A 101 -3.075 -10.019 -13.890 1.00 0.00 C ATOM 1629 O GLU A 101 -3.915 -10.637 -14.521 1.00 0.00 O ATOM 1630 CB GLU A 101 -1.963 -11.075 -11.909 1.00 0.00 C ATOM 1631 CG GLU A 101 -2.801 -12.353 -11.791 1.00 0.00 C ATOM 1632 CD GLU A 101 -1.875 -13.570 -11.678 1.00 0.00 C ATOM 1633 OE1 GLU A 101 -1.468 -14.079 -12.710 1.00 0.00 O ATOM 1634 OE2 GLU A 101 -1.591 -13.974 -10.561 1.00 0.00 O ATOM 0 H GLU A 101 -0.054 -9.670 -12.733 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.642 -11.627 -13.965 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.986 -11.222 -11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.447 -10.258 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.449 -12.295 -10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.449 -12.456 -12.662 1.00 0.00 H new ATOM 1641 N ALA A 102 -3.218 -8.739 -13.624 1.00 0.00 N ATOM 1642 CA ALA A 102 -4.429 -7.999 -14.094 1.00 0.00 C ATOM 1643 C ALA A 102 -4.282 -7.697 -15.592 1.00 0.00 C ATOM 1644 O ALA A 102 -3.634 -6.741 -15.983 1.00 0.00 O ATOM 1645 CB ALA A 102 -4.569 -6.690 -13.307 1.00 0.00 C ATOM 0 H ALA A 102 -2.546 -8.178 -13.101 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.320 -8.606 -13.932 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.452 -6.152 -13.651 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.670 -6.913 -12.245 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.684 -6.074 -13.465 1.00 0.00 H new ATOM 1651 N LEU A 103 -4.876 -8.515 -16.430 1.00 0.00 N ATOM 1652 CA LEU A 103 -4.777 -8.299 -17.908 1.00 0.00 C ATOM 1653 C LEU A 103 -6.107 -7.747 -18.445 1.00 0.00 C ATOM 1654 O LEU A 103 -6.073 -6.721 -19.106 1.00 0.00 O ATOM 1655 CB LEU A 103 -4.450 -9.630 -18.599 1.00 0.00 C ATOM 1656 CG LEU A 103 -3.426 -9.393 -19.713 1.00 0.00 C ATOM 1657 CD1 LEU A 103 -2.012 -9.457 -19.132 1.00 0.00 C ATOM 1658 CD2 LEU A 103 -3.584 -10.474 -20.787 1.00 0.00 C ATOM 1659 OXT LEU A 103 -7.136 -8.358 -18.190 1.00 0.00 O ATOM 0 H LEU A 103 -5.427 -9.326 -16.151 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.985 -7.580 -18.115 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.055 -10.341 -17.873 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.358 -10.069 -19.013 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.592 -8.411 -20.155 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.284 -9.288 -19.926 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.898 -8.690 -18.366 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.845 -10.439 -18.689 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.856 -10.307 -21.581 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.418 -11.455 -20.343 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.591 -10.430 -21.203 1.00 0.00 H new TER 1671 LEU A 103