USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 839 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 51 THR OG1 : rot 123:sc= 0.592 USER MOD Set 1.2: A 97 MET CE :methyl -151:sc= -0.251 (180deg=-0.35) USER MOD Set 2.1: A 93 ASN : amide:sc= 1.01 K(o=2.2,f=-5.1!) USER MOD Set 2.2: A 95 THR OG1 : rot 93:sc= 1.2 USER MOD Set 3.1: A 59 MET CE :methyl -108:sc= -4.1! (180deg=-0.639) USER MOD Set 3.2: A 88 MET CE :methyl 162:sc= -5.7! (180deg=-3!) USER MOD Single : A 3 HIS : no HE2:sc= -1.88 K(o=-1.9,f=-3.4!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 31 SER OG : rot -164:sc= 0.758 USER MOD Single : A 32 THR OG1 : rot 117:sc= 0.224 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= -0.225 (180deg=-0.448) USER MOD Single : A 38 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-2.5) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -33:sc= 0.23 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.14 K(o=-2.1,f=-0.44) USER MOD Single : A 58 MET CE :methyl -106:sc= -3.19 (180deg=-4.61!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.46 K(o=-1.5,f=-4.1!) USER MOD Single : A 78 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.31) USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.185) USER MOD Single : A 87 HIS : no HD1:sc= -5.92! C(o=-5.9!,f=-4.7!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.227 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 99 ASN : amide:sc= 1.14 K(o=1.1,f=-0.059) USER MOD Single : A 101 LYS NZ :NH3+ 156:sc= 0.884 (180deg=0.466) USER MOD Single : A 102 MET CE :methyl -157:sc= -3.73! (180deg=-4.2!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -5.05! K(o=-5.1!,f=-2.3) USER MOD Single : A 106 GLN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 103:sc= -2.92! USER MOD Single : A 112 LYS NZ :NH3+ -150:sc= -1.74 (180deg=-4.17!) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -2.934 -13.576 -6.595 1.00 0.00 N ATOM 29 CA HIS A 3 -2.461 -12.427 -7.359 1.00 0.00 C ATOM 30 C HIS A 3 -3.601 -11.454 -7.654 1.00 0.00 C ATOM 31 O HIS A 3 -3.541 -10.693 -8.619 1.00 0.00 O ATOM 32 CB HIS A 3 -1.822 -12.890 -8.669 1.00 0.00 C ATOM 33 CG HIS A 3 -0.458 -13.482 -8.491 1.00 0.00 C ATOM 34 ND1 HIS A 3 0.004 -14.547 -9.236 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.548 -13.152 -7.647 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.233 -14.847 -8.857 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.587 -14.015 -7.894 1.00 0.00 N ATOM 0 HA HIS A 3 -1.714 -11.908 -6.757 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.471 -13.628 -9.140 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.756 -12.042 -9.351 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -0.522 -15.028 -9.966 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.536 -12.358 -6.915 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.845 -15.638 -9.265 1.00 0.00 H new ATOM 46 N SER A 4 -4.636 -11.481 -6.818 1.00 0.00 N ATOM 47 CA SER A 4 -5.779 -10.594 -7.001 1.00 0.00 C ATOM 48 C SER A 4 -6.600 -10.474 -5.721 1.00 0.00 C ATOM 49 O SER A 4 -6.518 -11.319 -4.829 1.00 0.00 O ATOM 50 CB SER A 4 -6.665 -11.088 -8.146 1.00 0.00 C ATOM 51 OG SER A 4 -6.882 -12.486 -8.058 1.00 0.00 O ATOM 0 H SER A 4 -4.706 -12.103 -6.013 1.00 0.00 H new ATOM 0 HA SER A 4 -5.392 -9.606 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.622 -10.566 -8.121 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.197 -10.849 -9.101 1.00 0.00 H new ATOM 0 HG SER A 4 -7.452 -12.776 -8.800 1.00 0.00 H new ATOM 57 N GLY A 5 -7.384 -9.407 -5.646 1.00 0.00 N ATOM 58 CA GLY A 5 -8.215 -9.154 -4.487 1.00 0.00 C ATOM 59 C GLY A 5 -8.785 -7.755 -4.521 1.00 0.00 C ATOM 60 O GLY A 5 -8.084 -6.810 -4.868 1.00 0.00 O ATOM 0 H GLY A 5 -7.459 -8.703 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.027 -9.880 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.628 -9.289 -3.578 1.00 0.00 H new ATOM 64 N ALA A 6 -10.060 -7.620 -4.191 1.00 0.00 N ATOM 65 CA ALA A 6 -10.713 -6.319 -4.222 1.00 0.00 C ATOM 66 C ALA A 6 -10.415 -5.490 -2.976 1.00 0.00 C ATOM 67 O ALA A 6 -10.317 -6.018 -1.870 1.00 0.00 O ATOM 68 CB ALA A 6 -12.205 -6.500 -4.422 1.00 0.00 C ATOM 0 H ALA A 6 -10.661 -8.391 -3.900 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.307 -5.759 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.690 -5.524 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.386 -7.017 -5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.613 -7.089 -3.601 1.00 0.00 H new ATOM 74 N ALA A 7 -10.255 -4.183 -3.180 1.00 0.00 N ATOM 75 CA ALA A 7 -9.947 -3.258 -2.093 1.00 0.00 C ATOM 76 C ALA A 7 -10.554 -1.878 -2.346 1.00 0.00 C ATOM 77 O ALA A 7 -11.074 -1.609 -3.428 1.00 0.00 O ATOM 78 CB ALA A 7 -8.442 -3.147 -1.928 1.00 0.00 C ATOM 0 H ALA A 7 -10.335 -3.740 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.386 -3.650 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.215 -2.456 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.028 -4.128 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.001 -2.777 -2.853 1.00 0.00 H new ATOM 84 N ILE A 8 -10.489 -1.007 -1.338 1.00 0.00 N ATOM 85 CA ILE A 8 -11.040 0.345 -1.457 1.00 0.00 C ATOM 86 C ILE A 8 -9.937 1.382 -1.648 1.00 0.00 C ATOM 87 O ILE A 8 -9.049 1.515 -0.808 1.00 0.00 O ATOM 88 CB ILE A 8 -11.863 0.755 -0.210 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.008 -0.231 0.091 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.422 2.161 -0.390 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.186 -1.338 -0.923 1.00 0.00 C ATOM 0 H ILE A 8 -10.063 -1.211 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.692 0.321 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.185 0.734 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.832 -0.680 1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.940 0.330 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.999 2.439 0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.600 2.865 -0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.067 2.186 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.016 -1.978 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.398 -0.905 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.273 -1.931 -0.979 1.00 0.00 H new ATOM 103 N PHE A 9 -10.013 2.137 -2.739 1.00 0.00 N ATOM 104 CA PHE A 9 -9.028 3.178 -3.011 1.00 0.00 C ATOM 105 C PHE A 9 -9.697 4.541 -3.172 1.00 0.00 C ATOM 106 O PHE A 9 -10.349 4.811 -4.181 1.00 0.00 O ATOM 107 CB PHE A 9 -8.220 2.851 -4.266 1.00 0.00 C ATOM 108 CG PHE A 9 -7.019 3.736 -4.448 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.168 5.095 -4.686 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.741 3.210 -4.382 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.063 5.908 -4.853 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.632 4.019 -4.547 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.793 5.371 -4.784 1.00 0.00 C ATOM 0 H PHE A 9 -10.743 2.048 -3.446 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.353 3.218 -2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.893 1.812 -4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.866 2.943 -5.139 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.158 5.522 -4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.608 2.154 -4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.193 6.964 -5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.640 3.595 -4.491 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.929 6.005 -4.915 1.00 0.00 H new ATOM 123 N GLU A 10 -9.514 5.396 -2.170 1.00 0.00 N ATOM 124 CA GLU A 10 -10.073 6.748 -2.181 1.00 0.00 C ATOM 125 C GLU A 10 -11.595 6.736 -2.073 1.00 0.00 C ATOM 126 O GLU A 10 -12.288 7.413 -2.834 1.00 0.00 O ATOM 127 CB GLU A 10 -9.643 7.501 -3.444 1.00 0.00 C ATOM 128 CG GLU A 10 -8.297 8.195 -3.309 1.00 0.00 C ATOM 129 CD GLU A 10 -8.180 9.417 -4.198 1.00 0.00 C ATOM 130 OE1 GLU A 10 -9.024 10.328 -4.068 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.246 9.463 -5.025 1.00 0.00 O ATOM 0 H GLU A 10 -8.977 5.175 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.680 7.265 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.599 6.800 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.402 8.243 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.147 8.490 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.503 7.491 -3.558 1.00 0.00 H new ATOM 138 N LYS A 11 -12.112 5.974 -1.114 1.00 0.00 N ATOM 139 CA LYS A 11 -13.554 5.883 -0.889 1.00 0.00 C ATOM 140 C LYS A 11 -14.257 5.067 -1.975 1.00 0.00 C ATOM 141 O LYS A 11 -15.459 4.818 -1.882 1.00 0.00 O ATOM 142 CB LYS A 11 -14.172 7.281 -0.811 1.00 0.00 C ATOM 143 CG LYS A 11 -13.362 8.260 0.024 1.00 0.00 C ATOM 144 CD LYS A 11 -14.120 9.558 0.253 1.00 0.00 C ATOM 145 CE LYS A 11 -13.190 10.759 0.221 1.00 0.00 C ATOM 146 NZ LYS A 11 -12.475 10.942 1.514 1.00 0.00 N ATOM 0 H LYS A 11 -11.552 5.408 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.697 5.367 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.278 7.679 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.175 7.203 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.118 7.806 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.418 8.473 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.889 9.671 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.631 9.517 1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.463 10.634 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.764 11.657 -0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.851 11.771 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.168 11.087 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.907 10.096 1.719 1.00 0.00 H new ATOM 160 N VAL A 12 -13.518 4.645 -2.998 1.00 0.00 N ATOM 161 CA VAL A 12 -14.098 3.858 -4.070 1.00 0.00 C ATOM 162 C VAL A 12 -13.774 2.391 -3.887 1.00 0.00 C ATOM 163 O VAL A 12 -12.730 2.034 -3.343 1.00 0.00 O ATOM 164 CB VAL A 12 -13.607 4.326 -5.456 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.857 3.267 -6.527 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.299 5.619 -5.823 1.00 0.00 C ATOM 0 H VAL A 12 -12.522 4.836 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.178 4.001 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.530 4.488 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.499 3.631 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.326 2.352 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.925 3.061 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.954 5.951 -6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.377 5.459 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.066 6.380 -5.078 1.00 0.00 H new ATOM 176 N SER A 13 -14.677 1.547 -4.348 1.00 0.00 N ATOM 177 CA SER A 13 -14.485 0.113 -4.238 1.00 0.00 C ATOM 178 C SER A 13 -14.237 -0.505 -5.605 1.00 0.00 C ATOM 179 O SER A 13 -15.117 -0.509 -6.466 1.00 0.00 O ATOM 180 CB SER A 13 -15.696 -0.545 -3.580 1.00 0.00 C ATOM 181 OG SER A 13 -16.298 0.322 -2.634 1.00 0.00 O ATOM 0 H SER A 13 -15.547 1.827 -4.800 1.00 0.00 H new ATOM 0 HA SER A 13 -13.609 -0.061 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.425 -0.817 -4.343 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.389 -1.468 -3.088 1.00 0.00 H new ATOM 0 HG SER A 13 -17.072 -0.123 -2.229 1.00 0.00 H new ATOM 187 N GLY A 14 -13.034 -1.026 -5.797 1.00 0.00 N ATOM 188 CA GLY A 14 -12.687 -1.642 -7.061 1.00 0.00 C ATOM 189 C GLY A 14 -12.059 -3.005 -6.879 1.00 0.00 C ATOM 190 O GLY A 14 -12.509 -3.797 -6.050 1.00 0.00 O ATOM 0 H GLY A 14 -12.291 -1.033 -5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.582 -1.736 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.996 -0.995 -7.601 1.00 0.00 H new ATOM 194 N ILE A 15 -11.018 -3.282 -7.653 1.00 0.00 N ATOM 195 CA ILE A 15 -10.329 -4.557 -7.571 1.00 0.00 C ATOM 196 C ILE A 15 -8.822 -4.378 -7.582 1.00 0.00 C ATOM 197 O ILE A 15 -8.277 -3.694 -8.446 1.00 0.00 O ATOM 198 CB ILE A 15 -10.698 -5.493 -8.740 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.206 -5.465 -9.005 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.224 -6.911 -8.446 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.042 -5.841 -7.802 1.00 0.00 C ATOM 0 H ILE A 15 -10.634 -2.638 -8.345 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.649 -5.003 -6.629 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.195 -5.140 -9.640 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.489 -4.466 -9.335 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.435 -6.148 -9.823 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.490 -7.563 -9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.142 -6.913 -8.315 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.701 -7.272 -7.535 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.099 -5.799 -8.066 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.788 -6.852 -7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.843 -5.144 -6.988 1.00 0.00 H new ATOM 213 N ILE A 16 -8.148 -5.039 -6.652 1.00 0.00 N ATOM 214 CA ILE A 16 -6.701 -4.990 -6.594 1.00 0.00 C ATOM 215 C ILE A 16 -6.169 -6.271 -7.202 1.00 0.00 C ATOM 216 O ILE A 16 -6.413 -7.359 -6.683 1.00 0.00 O ATOM 217 CB ILE A 16 -6.159 -4.841 -5.146 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.654 -3.417 -4.908 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.042 -5.841 -4.873 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.032 -3.216 -3.541 1.00 0.00 C ATOM 0 H ILE A 16 -8.582 -5.614 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.366 -4.111 -7.145 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.980 -5.047 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.918 -3.168 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.485 -2.721 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.681 -5.714 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.422 -6.855 -5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.222 -5.671 -5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.696 -2.184 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.771 -3.433 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.181 -3.887 -3.426 1.00 0.00 H new ATOM 232 N ALA A 17 -5.465 -6.152 -8.306 1.00 0.00 N ATOM 233 CA ALA A 17 -4.934 -7.326 -8.964 1.00 0.00 C ATOM 234 C ALA A 17 -3.434 -7.204 -9.164 1.00 0.00 C ATOM 235 O ALA A 17 -2.947 -6.316 -9.863 1.00 0.00 O ATOM 236 CB ALA A 17 -5.670 -7.573 -10.265 1.00 0.00 C ATOM 0 H ALA A 17 -5.249 -5.266 -8.763 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.095 -8.195 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.262 -8.459 -10.751 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.729 -7.727 -10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.549 -6.711 -10.921 1.00 0.00 H new ATOM 242 N ILE A 18 -2.713 -8.100 -8.506 1.00 0.00 N ATOM 243 CA ILE A 18 -1.259 -8.117 -8.553 1.00 0.00 C ATOM 244 C ILE A 18 -0.741 -8.825 -9.798 1.00 0.00 C ATOM 245 O ILE A 18 -1.304 -9.825 -10.241 1.00 0.00 O ATOM 246 CB ILE A 18 -0.678 -8.801 -7.297 1.00 0.00 C ATOM 247 CG1 ILE A 18 -1.125 -8.058 -6.036 1.00 0.00 C ATOM 248 CG2 ILE A 18 0.841 -8.864 -7.369 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.468 -8.975 -4.881 1.00 0.00 C ATOM 0 H ILE A 18 -3.119 -8.834 -7.926 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.931 -7.078 -8.586 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.057 -9.822 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.332 -7.377 -5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.995 -7.446 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.228 -9.350 -6.473 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.140 -9.434 -8.249 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.244 -7.854 -7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.776 -8.379 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.282 -9.639 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.593 -9.569 -4.615 1.00 0.00 H new ATOM 261 N ASN A 19 0.346 -8.297 -10.348 1.00 0.00 N ATOM 262 CA ASN A 19 0.964 -8.870 -11.533 1.00 0.00 C ATOM 263 C ASN A 19 2.381 -9.338 -11.219 1.00 0.00 C ATOM 264 O ASN A 19 3.328 -8.558 -11.276 1.00 0.00 O ATOM 265 CB ASN A 19 0.990 -7.847 -12.670 1.00 0.00 C ATOM 266 CG ASN A 19 -0.194 -7.993 -13.606 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.271 -7.451 -13.356 1.00 0.00 O ATOM 268 ND2 ASN A 19 0.001 -8.730 -14.694 1.00 0.00 N ATOM 0 H ASN A 19 0.818 -7.468 -9.988 1.00 0.00 H new ATOM 0 HA ASN A 19 0.372 -9.729 -11.848 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.996 -6.841 -12.250 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.914 -7.961 -13.237 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.758 -8.865 -15.362 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.910 -9.161 -14.862 1.00 0.00 H new ATOM 275 N GLU A 20 2.514 -10.612 -10.877 1.00 0.00 N ATOM 276 CA GLU A 20 3.814 -11.187 -10.547 1.00 0.00 C ATOM 277 C GLU A 20 4.593 -11.566 -11.808 1.00 0.00 C ATOM 278 O GLU A 20 5.715 -12.067 -11.724 1.00 0.00 O ATOM 279 CB GLU A 20 3.635 -12.417 -9.656 1.00 0.00 C ATOM 280 CG GLU A 20 4.567 -12.440 -8.457 1.00 0.00 C ATOM 281 CD GLU A 20 5.903 -13.084 -8.770 1.00 0.00 C ATOM 282 OE1 GLU A 20 5.908 -14.218 -9.295 1.00 0.00 O ATOM 283 OE2 GLU A 20 6.945 -12.455 -8.489 1.00 0.00 O ATOM 0 H GLU A 20 1.736 -11.270 -10.820 1.00 0.00 H new ATOM 0 HA GLU A 20 4.387 -10.431 -10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.604 -12.454 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.801 -13.314 -10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.732 -11.420 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.089 -12.981 -7.640 1.00 0.00 H new ATOM 290 N ASP A 21 3.995 -11.329 -12.972 1.00 0.00 N ATOM 291 CA ASP A 21 4.638 -11.650 -14.241 1.00 0.00 C ATOM 292 C ASP A 21 5.588 -10.539 -14.686 1.00 0.00 C ATOM 293 O ASP A 21 6.199 -10.629 -15.751 1.00 0.00 O ATOM 294 CB ASP A 21 3.580 -11.882 -15.319 1.00 0.00 C ATOM 295 CG ASP A 21 4.096 -12.732 -16.464 1.00 0.00 C ATOM 296 OD1 ASP A 21 4.482 -13.894 -16.215 1.00 0.00 O ATOM 297 OD2 ASP A 21 4.115 -12.235 -17.610 1.00 0.00 O ATOM 0 H ASP A 21 3.067 -10.916 -13.062 1.00 0.00 H new ATOM 0 HA ASP A 21 5.222 -12.559 -14.096 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.712 -12.367 -14.873 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.244 -10.920 -15.707 1.00 0.00 H new ATOM 302 N VAL A 22 5.710 -9.494 -13.872 1.00 0.00 N ATOM 303 CA VAL A 22 6.591 -8.376 -14.202 1.00 0.00 C ATOM 304 C VAL A 22 7.911 -8.476 -13.443 1.00 0.00 C ATOM 305 O VAL A 22 8.267 -9.536 -12.929 1.00 0.00 O ATOM 306 CB VAL A 22 5.942 -6.998 -13.919 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.782 -6.204 -15.207 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.614 -7.164 -13.231 1.00 0.00 C ATOM 0 H VAL A 22 5.215 -9.397 -12.986 1.00 0.00 H new ATOM 0 HA VAL A 22 6.777 -8.446 -15.274 1.00 0.00 H new ATOM 0 HB VAL A 22 6.603 -6.442 -13.254 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.324 -5.240 -14.986 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.760 -6.046 -15.661 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.146 -6.757 -15.899 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.177 -6.183 -13.042 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.945 -7.743 -13.867 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.757 -7.686 -12.285 1.00 0.00 H new ATOM 318 N SER A 23 8.629 -7.363 -13.377 1.00 0.00 N ATOM 319 CA SER A 23 9.907 -7.308 -12.683 1.00 0.00 C ATOM 320 C SER A 23 10.463 -5.885 -12.707 1.00 0.00 C ATOM 321 O SER A 23 11.012 -5.445 -13.718 1.00 0.00 O ATOM 322 CB SER A 23 10.904 -8.275 -13.325 1.00 0.00 C ATOM 323 OG SER A 23 12.241 -7.885 -13.065 1.00 0.00 O ATOM 0 H SER A 23 8.344 -6.479 -13.800 1.00 0.00 H new ATOM 0 HA SER A 23 9.751 -7.605 -11.646 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.736 -9.281 -12.942 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.737 -8.312 -14.401 1.00 0.00 H new ATOM 0 HG SER A 23 12.855 -8.522 -13.486 1.00 0.00 H new ATOM 329 N PRO A 24 10.320 -5.136 -11.597 1.00 0.00 N ATOM 330 CA PRO A 24 9.671 -5.623 -10.372 1.00 0.00 C ATOM 331 C PRO A 24 8.175 -5.852 -10.558 1.00 0.00 C ATOM 332 O PRO A 24 7.571 -5.332 -11.497 1.00 0.00 O ATOM 333 CB PRO A 24 9.915 -4.498 -9.363 1.00 0.00 C ATOM 334 CG PRO A 24 10.140 -3.280 -10.190 1.00 0.00 C ATOM 335 CD PRO A 24 10.795 -3.749 -11.457 1.00 0.00 C ATOM 0 HA PRO A 24 10.071 -6.588 -10.060 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.060 -4.372 -8.699 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.779 -4.713 -8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.198 -2.775 -10.403 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.774 -2.565 -9.666 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.503 -3.137 -12.310 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.882 -3.702 -11.388 1.00 0.00 H new ATOM 343 N ALA A 25 7.580 -6.628 -9.653 1.00 0.00 N ATOM 344 CA ALA A 25 6.148 -6.918 -9.716 1.00 0.00 C ATOM 345 C ALA A 25 5.339 -5.635 -9.790 1.00 0.00 C ATOM 346 O ALA A 25 5.897 -4.542 -9.883 1.00 0.00 O ATOM 347 CB ALA A 25 5.710 -7.726 -8.508 1.00 0.00 C ATOM 0 H ALA A 25 8.065 -7.066 -8.870 1.00 0.00 H new ATOM 0 HA ALA A 25 5.968 -7.502 -10.619 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.641 -7.931 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.259 -8.667 -8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.915 -7.161 -7.599 1.00 0.00 H new ATOM 353 N GLU A 26 4.018 -5.763 -9.742 1.00 0.00 N ATOM 354 CA GLU A 26 3.164 -4.589 -9.800 1.00 0.00 C ATOM 355 C GLU A 26 1.759 -4.870 -9.284 1.00 0.00 C ATOM 356 O GLU A 26 1.197 -5.945 -9.497 1.00 0.00 O ATOM 357 CB GLU A 26 3.094 -4.055 -11.231 1.00 0.00 C ATOM 358 CG GLU A 26 4.231 -3.109 -11.582 1.00 0.00 C ATOM 359 CD GLU A 26 3.863 -2.145 -12.693 1.00 0.00 C ATOM 360 OE1 GLU A 26 2.932 -2.455 -13.465 1.00 0.00 O ATOM 361 OE2 GLU A 26 4.507 -1.079 -12.790 1.00 0.00 O ATOM 0 H GLU A 26 3.524 -6.652 -9.664 1.00 0.00 H new ATOM 0 HA GLU A 26 3.609 -3.837 -9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.104 -4.896 -11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.145 -3.537 -11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.516 -2.544 -10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.103 -3.690 -11.883 1.00 0.00 H new ATOM 368 N LEU A 27 1.200 -3.867 -8.622 1.00 0.00 N ATOM 369 CA LEU A 27 -0.144 -3.931 -8.073 1.00 0.00 C ATOM 370 C LEU A 27 -1.053 -3.034 -8.909 1.00 0.00 C ATOM 371 O LEU A 27 -0.590 -2.040 -9.467 1.00 0.00 O ATOM 372 CB LEU A 27 -0.122 -3.468 -6.621 1.00 0.00 C ATOM 373 CG LEU A 27 -1.485 -3.173 -6.003 1.00 0.00 C ATOM 374 CD1 LEU A 27 -1.477 -3.562 -4.546 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.829 -1.701 -6.146 1.00 0.00 C ATOM 0 H LEU A 27 1.672 -2.979 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.520 -4.954 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.371 -4.234 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.490 -2.568 -6.554 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.242 -3.756 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.452 -3.350 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.262 -4.627 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.711 -2.991 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.805 -1.510 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.074 -1.100 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.855 -1.435 -7.203 1.00 0.00 H new ATOM 387 N THR A 28 -2.329 -3.379 -9.024 1.00 0.00 N ATOM 388 CA THR A 28 -3.238 -2.570 -9.831 1.00 0.00 C ATOM 389 C THR A 28 -4.660 -2.566 -9.283 1.00 0.00 C ATOM 390 O THR A 28 -5.404 -3.531 -9.450 1.00 0.00 O ATOM 391 CB THR A 28 -3.248 -3.079 -11.273 1.00 0.00 C ATOM 392 OG1 THR A 28 -1.926 -3.236 -11.758 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.980 -2.160 -12.227 1.00 0.00 C ATOM 0 H THR A 28 -2.753 -4.194 -8.581 1.00 0.00 H new ATOM 0 HA THR A 28 -2.870 -1.545 -9.795 1.00 0.00 H new ATOM 0 HB THR A 28 -3.773 -4.034 -11.239 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.953 -3.564 -12.681 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.949 -2.580 -13.232 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.017 -2.056 -11.909 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.501 -1.181 -12.228 1.00 0.00 H new ATOM 401 N TRP A 29 -5.039 -1.457 -8.654 1.00 0.00 N ATOM 402 CA TRP A 29 -6.374 -1.309 -8.117 1.00 0.00 C ATOM 403 C TRP A 29 -7.276 -0.654 -9.155 1.00 0.00 C ATOM 404 O TRP A 29 -7.118 0.523 -9.464 1.00 0.00 O ATOM 405 CB TRP A 29 -6.348 -0.446 -6.859 1.00 0.00 C ATOM 406 CG TRP A 29 -7.715 -0.166 -6.326 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.410 -0.941 -5.459 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.558 0.947 -6.644 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.639 -0.381 -5.200 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.753 0.782 -5.917 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.418 2.069 -7.466 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.800 1.695 -5.989 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.460 2.975 -7.538 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.637 2.784 -6.803 1.00 0.00 C ATOM 0 H TRP A 29 -4.433 -0.650 -8.507 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.759 -2.297 -7.865 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.758 -0.947 -6.091 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.848 0.497 -7.080 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.050 -1.866 -5.032 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.349 -0.767 -4.577 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.513 2.225 -8.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.709 1.550 -5.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.365 3.844 -8.172 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.432 3.511 -6.880 1.00 0.00 H new ATOM 425 N ARG A 30 -8.216 -1.421 -9.691 1.00 0.00 N ATOM 426 CA ARG A 30 -9.136 -0.901 -10.697 1.00 0.00 C ATOM 427 C ARG A 30 -10.548 -0.792 -10.138 1.00 0.00 C ATOM 428 O ARG A 30 -11.066 -1.739 -9.554 1.00 0.00 O ATOM 429 CB ARG A 30 -9.132 -1.802 -11.934 1.00 0.00 C ATOM 430 CG ARG A 30 -9.727 -1.142 -13.167 1.00 0.00 C ATOM 431 CD ARG A 30 -10.412 -2.158 -14.067 1.00 0.00 C ATOM 432 NE ARG A 30 -9.483 -3.178 -14.549 1.00 0.00 N ATOM 433 CZ ARG A 30 -9.738 -3.988 -15.574 1.00 0.00 C ATOM 434 NH1 ARG A 30 -10.890 -3.900 -16.227 1.00 0.00 N ATOM 435 NH2 ARG A 30 -8.838 -4.888 -15.947 1.00 0.00 N ATOM 0 H ARG A 30 -8.362 -2.401 -9.448 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.800 0.096 -10.981 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.107 -2.103 -12.151 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.691 -2.711 -11.713 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.446 -0.381 -12.863 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.940 -0.633 -13.724 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.224 -2.637 -13.520 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.860 -1.645 -14.918 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.587 -3.275 -14.072 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.585 -3.209 -15.944 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.080 -4.523 -17.012 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.951 -4.959 -15.448 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.033 -5.509 -16.732 1.00 0.00 H new ATOM 449 N SER A 31 -11.174 0.366 -10.323 1.00 0.00 N ATOM 450 CA SER A 31 -12.532 0.581 -9.831 1.00 0.00 C ATOM 451 C SER A 31 -13.444 -0.565 -10.259 1.00 0.00 C ATOM 452 O SER A 31 -13.166 -1.256 -11.239 1.00 0.00 O ATOM 453 CB SER A 31 -13.082 1.909 -10.354 1.00 0.00 C ATOM 454 OG SER A 31 -14.480 2.001 -10.141 1.00 0.00 O ATOM 0 H SER A 31 -10.766 1.166 -10.807 1.00 0.00 H new ATOM 0 HA SER A 31 -12.501 0.615 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.579 2.737 -9.854 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.866 2.002 -11.418 1.00 0.00 H new ATOM 0 HG SER A 31 -14.850 2.716 -10.700 1.00 0.00 H new ATOM 460 N THR A 32 -14.532 -0.762 -9.525 1.00 0.00 N ATOM 461 CA THR A 32 -15.475 -1.823 -9.837 1.00 0.00 C ATOM 462 C THR A 32 -16.296 -1.440 -11.054 1.00 0.00 C ATOM 463 O THR A 32 -16.643 -2.280 -11.885 1.00 0.00 O ATOM 464 CB THR A 32 -16.388 -2.093 -8.638 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.654 -2.661 -7.568 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.534 -3.029 -8.953 1.00 0.00 C ATOM 0 H THR A 32 -14.781 -0.200 -8.711 1.00 0.00 H new ATOM 0 HA THR A 32 -14.922 -2.736 -10.059 1.00 0.00 H new ATOM 0 HB THR A 32 -16.799 -1.121 -8.366 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.672 -2.053 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.140 -3.176 -8.059 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.150 -2.597 -9.742 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.139 -3.989 -9.285 1.00 0.00 H new ATOM 474 N ASP A 33 -16.594 -0.155 -11.148 1.00 0.00 N ATOM 475 CA ASP A 33 -17.366 0.374 -12.259 1.00 0.00 C ATOM 476 C ASP A 33 -16.466 0.699 -13.449 1.00 0.00 C ATOM 477 O ASP A 33 -16.945 0.877 -14.570 1.00 0.00 O ATOM 478 CB ASP A 33 -18.133 1.625 -11.826 1.00 0.00 C ATOM 479 CG ASP A 33 -17.237 2.653 -11.166 1.00 0.00 C ATOM 480 OD1 ASP A 33 -16.189 2.992 -11.755 1.00 0.00 O ATOM 481 OD2 ASP A 33 -17.583 3.122 -10.061 1.00 0.00 O ATOM 0 H ASP A 33 -16.310 0.545 -10.463 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.078 -0.392 -12.568 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.614 2.072 -12.696 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.926 1.340 -11.134 1.00 0.00 H new ATOM 486 N GLY A 34 -15.160 0.777 -13.201 1.00 0.00 N ATOM 487 CA GLY A 34 -14.221 1.083 -14.263 1.00 0.00 C ATOM 488 C GLY A 34 -14.044 2.575 -14.464 1.00 0.00 C ATOM 489 O GLY A 34 -13.852 3.039 -15.588 1.00 0.00 O ATOM 0 H GLY A 34 -14.738 0.634 -12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.256 0.633 -14.032 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.568 0.632 -15.193 1.00 0.00 H new ATOM 493 N ASP A 35 -14.116 3.327 -13.372 1.00 0.00 N ATOM 494 CA ASP A 35 -13.970 4.778 -13.431 1.00 0.00 C ATOM 495 C ASP A 35 -12.507 5.198 -13.334 1.00 0.00 C ATOM 496 O ASP A 35 -12.131 6.276 -13.793 1.00 0.00 O ATOM 497 CB ASP A 35 -14.776 5.438 -12.311 1.00 0.00 C ATOM 498 CG ASP A 35 -16.198 5.754 -12.732 1.00 0.00 C ATOM 499 OD1 ASP A 35 -16.698 5.102 -13.671 1.00 0.00 O ATOM 500 OD2 ASP A 35 -16.811 6.656 -12.122 1.00 0.00 O ATOM 0 H ASP A 35 -14.275 2.957 -12.435 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.353 5.110 -14.396 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.795 4.779 -11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.279 6.357 -12.002 1.00 0.00 H new ATOM 505 N LYS A 36 -11.684 4.346 -12.734 1.00 0.00 N ATOM 506 CA LYS A 36 -10.263 4.642 -12.579 1.00 0.00 C ATOM 507 C LYS A 36 -9.517 3.479 -11.945 1.00 0.00 C ATOM 508 O LYS A 36 -10.117 2.575 -11.365 1.00 0.00 O ATOM 509 CB LYS A 36 -10.072 5.908 -11.739 1.00 0.00 C ATOM 510 CG LYS A 36 -10.471 5.737 -10.279 1.00 0.00 C ATOM 511 CD LYS A 36 -11.702 6.560 -9.933 1.00 0.00 C ATOM 512 CE LYS A 36 -11.325 7.958 -9.468 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.695 8.755 -10.557 1.00 0.00 N ATOM 0 H LYS A 36 -11.974 3.448 -12.348 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.849 4.805 -13.574 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.026 6.212 -11.788 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.660 6.716 -12.175 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.668 4.684 -10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.642 6.035 -9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.352 6.628 -10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.270 6.056 -9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.216 8.474 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.637 7.887 -8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.639 9.753 -10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.738 8.394 -10.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.268 8.676 -11.421 1.00 0.00 H new ATOM 527 N VAL A 37 -8.200 3.511 -12.086 1.00 0.00 N ATOM 528 CA VAL A 37 -7.344 2.466 -11.562 1.00 0.00 C ATOM 529 C VAL A 37 -6.009 3.038 -11.085 1.00 0.00 C ATOM 530 O VAL A 37 -5.511 4.020 -11.635 1.00 0.00 O ATOM 531 CB VAL A 37 -7.100 1.397 -12.646 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.947 2.056 -14.011 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.888 0.525 -12.316 1.00 0.00 C ATOM 0 H VAL A 37 -7.700 4.260 -12.565 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.844 2.010 -10.708 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.969 0.740 -12.673 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.775 1.290 -14.767 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.856 2.607 -14.253 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.101 2.742 -13.991 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.748 -0.216 -13.103 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.998 1.151 -12.245 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.052 0.018 -11.365 1.00 0.00 H new ATOM 543 N HIS A 38 -5.436 2.411 -10.063 1.00 0.00 N ATOM 544 CA HIS A 38 -4.159 2.850 -9.514 1.00 0.00 C ATOM 545 C HIS A 38 -3.144 1.713 -9.541 1.00 0.00 C ATOM 546 O HIS A 38 -3.360 0.662 -8.936 1.00 0.00 O ATOM 547 CB HIS A 38 -4.340 3.356 -8.083 1.00 0.00 C ATOM 548 CG HIS A 38 -5.039 4.677 -7.999 1.00 0.00 C ATOM 549 ND1 HIS A 38 -4.370 5.880 -7.914 1.00 0.00 N ATOM 550 CD2 HIS A 38 -6.359 4.982 -7.989 1.00 0.00 C ATOM 551 CE1 HIS A 38 -5.246 6.867 -7.854 1.00 0.00 C ATOM 552 NE2 HIS A 38 -6.461 6.348 -7.898 1.00 0.00 N ATOM 0 H HIS A 38 -5.837 1.596 -9.598 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.784 3.666 -10.132 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.906 2.618 -7.514 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.362 3.441 -7.610 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.179 4.281 -8.043 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.010 7.918 -7.781 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.333 6.877 -7.869 1.00 0.00 H new ATOM 561 N THR A 39 -2.038 1.924 -10.247 1.00 0.00 N ATOM 562 CA THR A 39 -0.996 0.910 -10.353 1.00 0.00 C ATOM 563 C THR A 39 0.114 1.160 -9.335 1.00 0.00 C ATOM 564 O THR A 39 0.419 2.305 -9.002 1.00 0.00 O ATOM 565 CB THR A 39 -0.415 0.885 -11.767 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.297 1.511 -12.683 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.142 -0.514 -12.276 1.00 0.00 C ATOM 0 H THR A 39 -1.841 2.787 -10.754 1.00 0.00 H new ATOM 0 HA THR A 39 -1.447 -0.059 -10.140 1.00 0.00 H new ATOM 0 HB THR A 39 0.531 1.422 -11.701 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.907 1.486 -13.582 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.269 -0.461 -13.284 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.573 -1.007 -11.618 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.072 -1.083 -12.293 1.00 0.00 H new ATOM 575 N VAL A 40 0.703 0.079 -8.837 1.00 0.00 N ATOM 576 CA VAL A 40 1.768 0.173 -7.847 1.00 0.00 C ATOM 577 C VAL A 40 2.967 -0.689 -8.232 1.00 0.00 C ATOM 578 O VAL A 40 2.811 -1.830 -8.666 1.00 0.00 O ATOM 579 CB VAL A 40 1.251 -0.274 -6.454 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.116 -1.361 -5.829 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.145 0.893 -5.500 1.00 0.00 C ATOM 0 H VAL A 40 0.460 -0.875 -9.104 1.00 0.00 H new ATOM 0 HA VAL A 40 2.084 1.215 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 40 0.258 -0.689 -6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.709 -1.636 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.126 -2.236 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.133 -0.990 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.780 0.542 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.127 1.349 -5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.452 1.631 -5.904 1.00 0.00 H new ATOM 591 N VAL A 41 4.161 -0.156 -8.021 1.00 0.00 N ATOM 592 CA VAL A 41 5.380 -0.900 -8.291 1.00 0.00 C ATOM 593 C VAL A 41 5.966 -1.370 -6.967 1.00 0.00 C ATOM 594 O VAL A 41 6.662 -0.618 -6.287 1.00 0.00 O ATOM 595 CB VAL A 41 6.427 -0.062 -9.053 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.651 -0.907 -9.386 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.819 0.525 -10.317 1.00 0.00 C ATOM 0 H VAL A 41 4.311 0.788 -7.664 1.00 0.00 H new ATOM 0 HA VAL A 41 5.125 -1.747 -8.928 1.00 0.00 H new ATOM 0 HB VAL A 41 6.745 0.760 -8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.378 -0.298 -9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.099 -1.278 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.353 -1.750 -10.009 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.571 1.113 -10.843 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.473 -0.282 -10.963 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.977 1.165 -10.053 1.00 0.00 H new ATOM 607 N LEU A 42 5.654 -2.610 -6.595 1.00 0.00 N ATOM 608 CA LEU A 42 6.117 -3.187 -5.336 1.00 0.00 C ATOM 609 C LEU A 42 7.584 -2.857 -5.046 1.00 0.00 C ATOM 610 O LEU A 42 8.013 -2.878 -3.893 1.00 0.00 O ATOM 611 CB LEU A 42 5.907 -4.698 -5.358 1.00 0.00 C ATOM 612 CG LEU A 42 4.461 -5.171 -5.152 1.00 0.00 C ATOM 613 CD1 LEU A 42 4.110 -5.204 -3.681 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.469 -4.288 -5.879 1.00 0.00 C ATOM 0 H LEU A 42 5.077 -3.239 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 42 5.529 -2.743 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.263 -5.082 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.530 -5.144 -4.583 1.00 0.00 H new ATOM 0 HG LEU A 42 4.398 -6.177 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.081 -5.542 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.780 -5.889 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.215 -4.204 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.458 -4.658 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.550 -3.267 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.684 -4.303 -6.948 1.00 0.00 H new ATOM 626 N SER A 43 8.342 -2.532 -6.088 1.00 0.00 N ATOM 627 CA SER A 43 9.744 -2.176 -5.927 1.00 0.00 C ATOM 628 C SER A 43 9.843 -0.756 -5.401 1.00 0.00 C ATOM 629 O SER A 43 10.550 -0.487 -4.429 1.00 0.00 O ATOM 630 CB SER A 43 10.488 -2.303 -7.256 1.00 0.00 C ATOM 631 OG SER A 43 11.627 -1.459 -7.291 1.00 0.00 O ATOM 0 H SER A 43 8.008 -2.508 -7.051 1.00 0.00 H new ATOM 0 HA SER A 43 10.206 -2.859 -5.215 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.795 -3.338 -7.406 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.818 -2.047 -8.077 1.00 0.00 H new ATOM 0 HG SER A 43 12.084 -1.562 -8.152 1.00 0.00 H new ATOM 637 N THR A 44 9.104 0.150 -6.034 1.00 0.00 N ATOM 638 CA THR A 44 9.081 1.530 -5.617 1.00 0.00 C ATOM 639 C THR A 44 8.467 1.626 -4.228 1.00 0.00 C ATOM 640 O THR A 44 8.790 2.526 -3.454 1.00 0.00 O ATOM 641 CB THR A 44 8.275 2.356 -6.614 1.00 0.00 C ATOM 642 OG1 THR A 44 6.904 1.999 -6.575 1.00 0.00 O ATOM 643 CG2 THR A 44 8.752 2.203 -8.042 1.00 0.00 C ATOM 0 H THR A 44 8.514 -0.057 -6.840 1.00 0.00 H new ATOM 0 HA THR A 44 10.098 1.921 -5.584 1.00 0.00 H new ATOM 0 HB THR A 44 8.418 3.393 -6.310 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.820 1.044 -6.374 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.136 2.817 -8.699 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.791 2.524 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.673 1.158 -8.342 1.00 0.00 H new ATOM 651 N ILE A 45 7.587 0.674 -3.911 1.00 0.00 N ATOM 652 CA ILE A 45 6.947 0.643 -2.603 1.00 0.00 C ATOM 653 C ILE A 45 7.996 0.597 -1.490 1.00 0.00 C ATOM 654 O ILE A 45 8.659 -0.421 -1.296 1.00 0.00 O ATOM 655 CB ILE A 45 6.018 -0.580 -2.460 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.933 -0.564 -3.542 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.395 -0.615 -1.072 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.991 0.618 -3.450 1.00 0.00 C ATOM 0 H ILE A 45 7.306 -0.078 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 45 6.354 1.553 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 45 6.614 -1.483 -2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.411 -0.560 -4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.353 -1.484 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.742 -1.484 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.183 -0.679 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.813 0.293 -0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.252 0.558 -4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.484 0.605 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.558 1.544 -3.549 1.00 0.00 H new ATOM 670 N ASP A 46 8.140 1.702 -0.764 1.00 0.00 N ATOM 671 CA ASP A 46 9.107 1.781 0.327 1.00 0.00 C ATOM 672 C ASP A 46 8.901 0.643 1.323 1.00 0.00 C ATOM 673 O ASP A 46 9.853 0.161 1.938 1.00 0.00 O ATOM 674 CB ASP A 46 8.988 3.128 1.045 1.00 0.00 C ATOM 675 CG ASP A 46 10.337 3.746 1.356 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.365 3.189 0.914 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.368 4.791 2.040 1.00 0.00 O ATOM 0 H ASP A 46 7.600 2.555 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 46 10.106 1.690 -0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.412 3.816 0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.432 2.993 1.973 1.00 0.00 H new ATOM 682 N LYS A 47 7.651 0.218 1.474 1.00 0.00 N ATOM 683 CA LYS A 47 7.315 -0.865 2.390 1.00 0.00 C ATOM 684 C LYS A 47 5.860 -1.286 2.218 1.00 0.00 C ATOM 685 O LYS A 47 5.065 -0.571 1.609 1.00 0.00 O ATOM 686 CB LYS A 47 7.576 -0.443 3.840 1.00 0.00 C ATOM 687 CG LYS A 47 6.624 0.626 4.352 1.00 0.00 C ATOM 688 CD LYS A 47 6.694 0.757 5.866 1.00 0.00 C ATOM 689 CE LYS A 47 6.906 2.200 6.292 1.00 0.00 C ATOM 690 NZ LYS A 47 7.813 2.304 7.470 1.00 0.00 N ATOM 0 H LYS A 47 6.853 0.608 0.973 1.00 0.00 H new ATOM 0 HA LYS A 47 7.951 -1.718 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.501 -1.320 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.599 -0.074 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.869 1.583 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.605 0.380 4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.772 0.378 6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.508 0.141 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.325 2.766 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.944 2.652 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.932 3.304 7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.402 1.785 8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.739 1.896 7.232 1.00 0.00 H new ATOM 704 N LEU A 48 5.519 -2.450 2.753 1.00 0.00 N ATOM 705 CA LEU A 48 4.161 -2.970 2.651 1.00 0.00 C ATOM 706 C LEU A 48 3.455 -2.918 4.005 1.00 0.00 C ATOM 707 O LEU A 48 3.883 -3.565 4.962 1.00 0.00 O ATOM 708 CB LEU A 48 4.192 -4.412 2.139 1.00 0.00 C ATOM 709 CG LEU A 48 2.836 -5.116 2.093 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.090 -4.750 0.821 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.015 -6.623 2.194 1.00 0.00 C ATOM 0 H LEU A 48 6.164 -3.053 3.263 1.00 0.00 H new ATOM 0 HA LEU A 48 3.608 -2.347 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.619 -4.415 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.863 -4.991 2.773 1.00 0.00 H new ATOM 0 HG LEU A 48 2.244 -4.783 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.127 -5.260 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.931 -3.672 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.677 -5.055 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.040 -7.108 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.624 -6.974 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.510 -6.868 3.134 1.00 0.00 H new ATOM 723 N GLN A 49 2.367 -2.157 4.077 1.00 0.00 N ATOM 724 CA GLN A 49 1.598 -2.037 5.307 1.00 0.00 C ATOM 725 C GLN A 49 0.270 -2.763 5.161 1.00 0.00 C ATOM 726 O GLN A 49 -0.363 -2.696 4.113 1.00 0.00 O ATOM 727 CB GLN A 49 1.351 -0.564 5.640 1.00 0.00 C ATOM 728 CG GLN A 49 1.625 -0.211 7.093 1.00 0.00 C ATOM 729 CD GLN A 49 2.432 1.064 7.242 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.078 1.950 8.020 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.524 1.164 6.493 1.00 0.00 N ATOM 0 H GLN A 49 1.999 -1.614 3.296 1.00 0.00 H new ATOM 0 HA GLN A 49 2.167 -2.489 6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.981 0.054 5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.316 -0.316 5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.678 -0.101 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.161 -1.033 7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.780 0.405 5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.106 2.000 6.549 1.00 0.00 H new ATOM 740 N ALA A 50 -0.148 -3.465 6.203 1.00 0.00 N ATOM 741 CA ALA A 50 -1.399 -4.200 6.155 1.00 0.00 C ATOM 742 C ALA A 50 -1.953 -4.443 7.556 1.00 0.00 C ATOM 743 O ALA A 50 -1.197 -4.661 8.503 1.00 0.00 O ATOM 744 CB ALA A 50 -1.185 -5.507 5.418 1.00 0.00 C ATOM 0 H ALA A 50 0.358 -3.540 7.086 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.138 -3.605 5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.123 -6.061 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.844 -5.301 4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.434 -6.100 5.940 1.00 0.00 H new ATOM 750 N THR A 51 -3.276 -4.395 7.681 1.00 0.00 N ATOM 751 CA THR A 51 -3.930 -4.599 8.969 1.00 0.00 C ATOM 752 C THR A 51 -3.590 -5.969 9.557 1.00 0.00 C ATOM 753 O THR A 51 -3.456 -6.952 8.829 1.00 0.00 O ATOM 754 CB THR A 51 -5.445 -4.462 8.824 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.897 -5.122 7.655 1.00 0.00 O ATOM 756 CG2 THR A 51 -5.911 -3.024 8.750 1.00 0.00 C ATOM 0 H THR A 51 -3.916 -4.217 6.907 1.00 0.00 H new ATOM 0 HA THR A 51 -3.561 -3.833 9.651 1.00 0.00 H new ATOM 0 HB THR A 51 -5.865 -4.916 9.721 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.571 -5.791 7.897 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.996 -2.998 8.648 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.620 -2.500 9.660 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.454 -2.537 7.889 1.00 0.00 H new ATOM 847 N MET A 58 -10.360 -5.020 7.598 1.00 0.00 N ATOM 848 CA MET A 58 -9.276 -5.421 6.708 1.00 0.00 C ATOM 849 C MET A 58 -8.776 -4.243 5.882 1.00 0.00 C ATOM 850 O MET A 58 -9.556 -3.559 5.220 1.00 0.00 O ATOM 851 CB MET A 58 -9.743 -6.543 5.784 1.00 0.00 C ATOM 852 CG MET A 58 -10.423 -7.684 6.519 1.00 0.00 C ATOM 853 SD MET A 58 -12.183 -7.399 6.776 1.00 0.00 S ATOM 854 CE MET A 58 -12.714 -9.037 7.264 1.00 0.00 C ATOM 0 HA MET A 58 -8.451 -5.780 7.323 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.433 -6.133 5.046 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.885 -6.933 5.236 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.288 -8.606 5.954 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.938 -7.828 7.485 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.262 -9.501 6.444 1.00 0.00 H new ATOM 0 HE2 MET A 58 -11.842 -9.645 7.508 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.361 -8.964 8.138 1.00 0.00 H new ATOM 864 N MET A 59 -7.470 -4.009 5.931 1.00 0.00 N ATOM 865 CA MET A 59 -6.868 -2.911 5.189 1.00 0.00 C ATOM 866 C MET A 59 -5.432 -3.230 4.781 1.00 0.00 C ATOM 867 O MET A 59 -4.652 -3.754 5.575 1.00 0.00 O ATOM 868 CB MET A 59 -6.885 -1.643 6.046 1.00 0.00 C ATOM 869 CG MET A 59 -7.739 -0.527 5.472 1.00 0.00 C ATOM 870 SD MET A 59 -8.458 0.524 6.748 1.00 0.00 S ATOM 871 CE MET A 59 -7.046 0.764 7.821 1.00 0.00 C ATOM 0 H MET A 59 -6.810 -4.564 6.476 1.00 0.00 H new ATOM 0 HA MET A 59 -7.452 -2.758 4.281 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.252 -1.893 7.041 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.863 -1.282 6.164 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.131 0.083 4.804 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.538 -0.959 4.870 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.189 0.199 8.742 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.144 0.416 7.318 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.944 1.823 8.057 1.00 0.00 H new ATOM 881 N LEU A 60 -5.083 -2.879 3.549 1.00 0.00 N ATOM 882 CA LEU A 60 -3.727 -3.094 3.042 1.00 0.00 C ATOM 883 C LEU A 60 -3.173 -1.794 2.469 1.00 0.00 C ATOM 884 O LEU A 60 -3.928 -0.962 1.969 1.00 0.00 O ATOM 885 CB LEU A 60 -3.701 -4.183 1.967 1.00 0.00 C ATOM 886 CG LEU A 60 -4.149 -5.582 2.409 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.814 -6.596 1.335 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.486 -5.991 3.714 1.00 0.00 C ATOM 0 H LEU A 60 -5.718 -2.444 2.880 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.105 -3.422 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.337 -3.865 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.686 -4.256 1.577 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.227 -5.552 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.135 -7.587 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.327 -6.330 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.738 -6.602 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.826 -6.987 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.404 -6.000 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.753 -5.280 4.496 1.00 0.00 H new ATOM 900 N ARG A 61 -1.858 -1.609 2.557 1.00 0.00 N ATOM 901 CA ARG A 61 -1.237 -0.385 2.052 1.00 0.00 C ATOM 902 C ARG A 61 0.216 -0.600 1.639 1.00 0.00 C ATOM 903 O ARG A 61 0.909 -1.458 2.181 1.00 0.00 O ATOM 904 CB ARG A 61 -1.292 0.700 3.127 1.00 0.00 C ATOM 905 CG ARG A 61 -0.790 2.057 2.660 1.00 0.00 C ATOM 906 CD ARG A 61 -0.590 3.009 3.829 1.00 0.00 C ATOM 907 NE ARG A 61 -0.941 4.384 3.480 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.932 5.393 4.347 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.593 5.185 5.614 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.264 6.613 3.948 1.00 0.00 N ATOM 0 H ARG A 61 -1.209 -2.280 2.967 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.796 -0.080 1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.321 0.803 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.699 0.379 3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.151 1.933 2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.503 2.487 1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.199 2.682 4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.450 2.971 4.154 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.208 4.582 2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.338 4.248 5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.588 5.962 6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.526 6.778 2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.257 7.387 4.613 1.00 0.00 H new ATOM 924 N LEU A 62 0.672 0.213 0.690 1.00 0.00 N ATOM 925 CA LEU A 62 2.051 0.157 0.215 1.00 0.00 C ATOM 926 C LEU A 62 2.671 1.551 0.268 1.00 0.00 C ATOM 927 O LEU A 62 2.214 2.467 -0.414 1.00 0.00 O ATOM 928 CB LEU A 62 2.115 -0.390 -1.211 1.00 0.00 C ATOM 929 CG LEU A 62 1.498 -1.775 -1.399 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.283 -1.684 -2.298 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.510 -2.763 -1.968 1.00 0.00 C ATOM 0 H LEU A 62 0.101 0.924 0.232 1.00 0.00 H new ATOM 0 HA LEU A 62 2.613 -0.515 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.609 0.310 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.159 -0.428 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 62 1.190 -2.144 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.150 -2.676 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.455 -1.022 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.578 -1.289 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.038 -3.738 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.861 -2.407 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.355 -2.851 -1.286 1.00 0.00 H new ATOM 943 N ILE A 63 3.704 1.711 1.087 1.00 0.00 N ATOM 944 CA ILE A 63 4.368 3.004 1.230 1.00 0.00 C ATOM 945 C ILE A 63 5.275 3.294 0.040 1.00 0.00 C ATOM 946 O ILE A 63 5.719 2.379 -0.648 1.00 0.00 O ATOM 947 CB ILE A 63 5.206 3.071 2.521 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.415 2.512 3.704 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.639 4.505 2.795 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.158 3.292 4.013 1.00 0.00 C ATOM 0 H ILE A 63 4.100 0.966 1.660 1.00 0.00 H new ATOM 0 HA ILE A 63 3.579 3.755 1.277 1.00 0.00 H new ATOM 0 HB ILE A 63 6.098 2.459 2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.148 1.476 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.054 2.504 4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.230 4.538 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.240 4.869 1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.757 5.136 2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.648 2.839 4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.419 4.322 4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.499 3.278 3.145 1.00 0.00 H new ATOM 962 N GLY A 64 5.546 4.575 -0.193 1.00 0.00 N ATOM 963 CA GLY A 64 6.402 4.967 -1.299 1.00 0.00 C ATOM 964 C GLY A 64 7.590 5.794 -0.843 1.00 0.00 C ATOM 965 O GLY A 64 7.424 6.790 -0.139 1.00 0.00 O ATOM 0 H GLY A 64 5.187 5.350 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.759 4.075 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.820 5.539 -2.021 1.00 0.00 H new ATOM 991 N VAL A 66 10.159 8.456 -0.362 1.00 0.00 N ATOM 992 CA VAL A 66 10.130 9.884 -0.649 1.00 0.00 C ATOM 993 C VAL A 66 11.541 10.462 -0.734 1.00 0.00 C ATOM 994 O VAL A 66 12.498 9.863 -0.244 1.00 0.00 O ATOM 995 CB VAL A 66 9.331 10.648 0.424 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.032 10.582 1.771 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.107 12.092 0.002 1.00 0.00 C ATOM 0 HA VAL A 66 9.640 10.006 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 66 8.358 10.169 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.449 11.129 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.128 9.541 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.023 11.029 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.541 12.613 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.070 12.584 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.550 12.115 -0.934 1.00 0.00 H new ATOM 1007 N ASP A 67 11.661 11.631 -1.356 1.00 0.00 N ATOM 1008 CA ASP A 67 12.952 12.292 -1.503 1.00 0.00 C ATOM 1009 C ASP A 67 12.917 13.687 -0.882 1.00 0.00 C ATOM 1010 O ASP A 67 13.258 14.676 -1.531 1.00 0.00 O ATOM 1011 CB ASP A 67 13.336 12.384 -2.981 1.00 0.00 C ATOM 1012 CG ASP A 67 12.239 12.999 -3.827 1.00 0.00 C ATOM 1013 OD1 ASP A 67 11.079 12.548 -3.715 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.538 13.931 -4.603 1.00 0.00 O ATOM 0 H ASP A 67 10.878 12.140 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 67 13.702 11.699 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.244 12.978 -3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.565 11.387 -3.357 1.00 0.00 H new ATOM 1019 N GLU A 68 12.503 13.755 0.379 1.00 0.00 N ATOM 1020 CA GLU A 68 12.420 15.026 1.093 1.00 0.00 C ATOM 1021 C GLU A 68 13.796 15.676 1.240 1.00 0.00 C ATOM 1022 O GLU A 68 13.898 16.860 1.560 1.00 0.00 O ATOM 1023 CB GLU A 68 11.795 14.816 2.474 1.00 0.00 C ATOM 1024 CG GLU A 68 12.627 13.934 3.391 1.00 0.00 C ATOM 1025 CD GLU A 68 11.948 13.671 4.720 1.00 0.00 C ATOM 1026 OE1 GLU A 68 12.162 14.463 5.662 1.00 0.00 O ATOM 1027 OE2 GLU A 68 11.202 12.675 4.819 1.00 0.00 O ATOM 0 H GLU A 68 12.219 12.944 0.929 1.00 0.00 H new ATOM 0 HA GLU A 68 11.790 15.695 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.651 15.786 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.808 14.370 2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.825 12.984 2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.592 14.408 3.568 1.00 0.00 H new ATOM 1034 N SER A 69 14.852 14.899 1.007 1.00 0.00 N ATOM 1035 CA SER A 69 16.215 15.408 1.117 1.00 0.00 C ATOM 1036 C SER A 69 16.406 16.662 0.272 1.00 0.00 C ATOM 1037 O SER A 69 17.271 17.490 0.555 1.00 0.00 O ATOM 1038 CB SER A 69 17.219 14.334 0.692 1.00 0.00 C ATOM 1039 OG SER A 69 18.504 14.596 1.229 1.00 0.00 O ATOM 0 H SER A 69 14.789 13.916 0.741 1.00 0.00 H new ATOM 0 HA SER A 69 16.391 15.670 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.874 13.356 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.277 14.296 -0.396 1.00 0.00 H new ATOM 0 HG SER A 69 19.127 13.895 0.944 1.00 0.00 H new ATOM 1045 N LYS A 70 15.587 16.797 -0.764 1.00 0.00 N ATOM 1046 CA LYS A 70 15.659 17.952 -1.651 1.00 0.00 C ATOM 1047 C LYS A 70 15.084 19.189 -0.972 1.00 0.00 C ATOM 1048 O LYS A 70 15.815 20.122 -0.638 1.00 0.00 O ATOM 1049 CB LYS A 70 14.904 17.671 -2.952 1.00 0.00 C ATOM 1050 CG LYS A 70 15.445 16.479 -3.724 1.00 0.00 C ATOM 1051 CD LYS A 70 16.827 16.763 -4.290 1.00 0.00 C ATOM 1052 CE LYS A 70 17.700 15.519 -4.278 1.00 0.00 C ATOM 1053 NZ LYS A 70 18.578 15.468 -3.076 1.00 0.00 N ATOM 0 H LYS A 70 14.865 16.120 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 70 16.707 18.139 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.853 17.498 -2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.950 18.556 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.491 15.610 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.762 16.230 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.734 17.134 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.305 17.550 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.068 14.632 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.315 15.498 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.157 14.605 -3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.200 16.302 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.991 15.462 -2.217 1.00 0.00 H new ATOM 1067 N LYS A 71 13.767 19.187 -0.766 1.00 0.00 N ATOM 1068 CA LYS A 71 13.077 20.305 -0.123 1.00 0.00 C ATOM 1069 C LYS A 71 13.590 21.647 -0.638 1.00 0.00 C ATOM 1070 O LYS A 71 14.420 22.293 0.001 1.00 0.00 O ATOM 1071 CB LYS A 71 13.242 20.231 1.399 1.00 0.00 C ATOM 1072 CG LYS A 71 14.679 20.035 1.853 1.00 0.00 C ATOM 1073 CD LYS A 71 14.797 20.098 3.367 1.00 0.00 C ATOM 1074 CE LYS A 71 14.689 18.716 3.993 1.00 0.00 C ATOM 1075 NZ LYS A 71 14.971 18.744 5.454 1.00 0.00 N ATOM 0 H LYS A 71 13.154 18.418 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 71 12.019 20.228 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.853 21.148 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.635 19.410 1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.046 19.072 1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.311 20.802 1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.751 20.549 3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.014 20.742 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.688 18.318 3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.388 18.039 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.887 17.783 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.935 19.099 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.288 19.370 5.927 1.00 0.00 H new ATOM 1089 N ARG A 72 13.090 22.062 -1.797 1.00 0.00 N ATOM 1090 CA ARG A 72 13.501 23.330 -2.393 1.00 0.00 C ATOM 1091 C ARG A 72 12.366 23.953 -3.199 1.00 0.00 C ATOM 1092 O ARG A 72 11.249 23.435 -3.221 1.00 0.00 O ATOM 1093 CB ARG A 72 14.735 23.140 -3.284 1.00 0.00 C ATOM 1094 CG ARG A 72 14.921 21.718 -3.793 1.00 0.00 C ATOM 1095 CD ARG A 72 13.688 21.230 -4.534 1.00 0.00 C ATOM 1096 NE ARG A 72 13.795 21.445 -5.974 1.00 0.00 N ATOM 1097 CZ ARG A 72 13.073 20.786 -6.879 1.00 0.00 C ATOM 1098 NH1 ARG A 72 12.191 19.872 -6.497 1.00 0.00 N ATOM 1099 NH2 ARG A 72 13.234 21.044 -8.170 1.00 0.00 N ATOM 0 H ARG A 72 12.402 21.542 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 72 13.758 24.008 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.660 23.813 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.623 23.433 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.786 21.677 -4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.130 21.054 -2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.542 20.168 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.808 21.749 -4.154 1.00 0.00 H new ATOM 0 HE ARG A 72 14.462 22.141 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.063 19.670 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.641 19.371 -7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.910 21.747 -8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.682 20.540 -8.864 1.00 0.00 H new ATOM 1113 N LYS A 73 12.658 25.071 -3.855 1.00 0.00 N ATOM 1114 CA LYS A 73 11.662 25.770 -4.658 1.00 0.00 C ATOM 1115 C LYS A 73 11.957 25.615 -6.147 1.00 0.00 C ATOM 1116 O LYS A 73 12.853 24.866 -6.538 1.00 0.00 O ATOM 1117 CB LYS A 73 11.626 27.252 -4.285 1.00 0.00 C ATOM 1118 CG LYS A 73 11.400 27.498 -2.803 1.00 0.00 C ATOM 1119 CD LYS A 73 12.705 27.462 -2.029 1.00 0.00 C ATOM 1120 CE LYS A 73 12.497 27.838 -0.570 1.00 0.00 C ATOM 1121 NZ LYS A 73 12.743 29.286 -0.328 1.00 0.00 N ATOM 0 H LYS A 73 13.577 25.513 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 73 10.688 25.326 -4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.566 27.717 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.834 27.742 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.919 28.466 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.720 26.744 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.139 26.464 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.419 28.148 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.478 27.588 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.166 27.247 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.591 29.501 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.723 29.520 -0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.088 29.851 -0.906 1.00 0.00 H new ATOM 1135 N ASP A 74 11.197 26.327 -6.974 1.00 0.00 N ATOM 1136 CA ASP A 74 11.380 26.266 -8.419 1.00 0.00 C ATOM 1137 C ASP A 74 12.052 27.529 -8.937 1.00 0.00 C ATOM 1138 O ASP A 74 12.930 27.473 -9.798 1.00 0.00 O ATOM 1139 CB ASP A 74 10.034 26.066 -9.118 1.00 0.00 C ATOM 1140 CG ASP A 74 10.157 25.247 -10.388 1.00 0.00 C ATOM 1141 OD1 ASP A 74 10.965 25.626 -11.261 1.00 0.00 O ATOM 1142 OD2 ASP A 74 9.445 24.228 -10.509 1.00 0.00 O ATOM 0 H ASP A 74 10.450 26.951 -6.668 1.00 0.00 H new ATOM 0 HA ASP A 74 12.026 25.417 -8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.343 25.571 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.604 27.039 -9.357 1.00 0.00 H new ATOM 1147 N ASN A 75 11.633 28.665 -8.400 1.00 0.00 N ATOM 1148 CA ASN A 75 12.186 29.961 -8.791 1.00 0.00 C ATOM 1149 C ASN A 75 11.339 31.105 -8.245 1.00 0.00 C ATOM 1150 O ASN A 75 11.850 32.185 -7.949 1.00 0.00 O ATOM 1151 CB ASN A 75 12.284 30.071 -10.317 1.00 0.00 C ATOM 1152 CG ASN A 75 13.704 29.896 -10.819 1.00 0.00 C ATOM 1153 OD1 ASN A 75 14.624 29.649 -10.039 1.00 0.00 O ATOM 1154 ND2 ASN A 75 13.890 30.026 -12.126 1.00 0.00 N ATOM 0 H ASN A 75 10.906 28.719 -7.686 1.00 0.00 H new ATOM 0 HA ASN A 75 13.187 30.035 -8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.644 29.317 -10.775 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.907 31.043 -10.633 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.824 29.921 -12.521 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.099 30.231 -12.736 1.00 0.00 H new ATOM 1161 N GLU A 76 10.043 30.860 -8.120 1.00 0.00 N ATOM 1162 CA GLU A 76 9.116 31.867 -7.616 1.00 0.00 C ATOM 1163 C GLU A 76 8.823 31.648 -6.135 1.00 0.00 C ATOM 1164 O GLU A 76 7.687 31.813 -5.687 1.00 0.00 O ATOM 1165 CB GLU A 76 7.812 31.834 -8.416 1.00 0.00 C ATOM 1166 CG GLU A 76 8.020 31.916 -9.919 1.00 0.00 C ATOM 1167 CD GLU A 76 7.706 33.290 -10.477 1.00 0.00 C ATOM 1168 OE1 GLU A 76 6.792 33.953 -9.944 1.00 0.00 O ATOM 1169 OE2 GLU A 76 8.374 33.704 -11.448 1.00 0.00 O ATOM 0 H GLU A 76 9.607 29.970 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 76 9.583 32.845 -7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.274 30.915 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.180 32.663 -8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.053 31.660 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.389 31.175 -10.410 1.00 0.00 H new ATOM 1176 N GLY A 77 9.850 31.276 -5.379 1.00 0.00 N ATOM 1177 CA GLY A 77 9.678 31.042 -3.958 1.00 0.00 C ATOM 1178 C GLY A 77 8.663 29.953 -3.664 1.00 0.00 C ATOM 1179 O GLY A 77 8.147 29.861 -2.550 1.00 0.00 O ATOM 0 H GLY A 77 10.799 31.132 -5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.638 30.767 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.362 31.968 -3.477 1.00 0.00 H new ATOM 1183 N ASN A 78 8.376 29.124 -4.664 1.00 0.00 N ATOM 1184 CA ASN A 78 7.419 28.035 -4.504 1.00 0.00 C ATOM 1185 C ASN A 78 7.897 27.057 -3.431 1.00 0.00 C ATOM 1186 O ASN A 78 8.680 27.424 -2.556 1.00 0.00 O ATOM 1187 CB ASN A 78 7.218 27.311 -5.839 1.00 0.00 C ATOM 1188 CG ASN A 78 7.022 28.272 -6.995 1.00 0.00 C ATOM 1189 OD1 ASN A 78 5.962 28.882 -7.139 1.00 0.00 O ATOM 1190 ND2 ASN A 78 8.046 28.411 -7.830 1.00 0.00 N ATOM 0 H ASN A 78 8.793 29.186 -5.593 1.00 0.00 H new ATOM 0 HA ASN A 78 6.464 28.452 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.082 26.678 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.351 26.654 -5.766 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.972 29.043 -8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.907 27.886 -7.674 1.00 0.00 H new ATOM 1197 N GLU A 79 7.425 25.814 -3.498 1.00 0.00 N ATOM 1198 CA GLU A 79 7.813 24.797 -2.529 1.00 0.00 C ATOM 1199 C GLU A 79 7.505 23.401 -3.058 1.00 0.00 C ATOM 1200 O GLU A 79 6.343 23.043 -3.254 1.00 0.00 O ATOM 1201 CB GLU A 79 7.087 25.026 -1.202 1.00 0.00 C ATOM 1202 CG GLU A 79 7.865 25.892 -0.225 1.00 0.00 C ATOM 1203 CD GLU A 79 7.681 25.453 1.215 1.00 0.00 C ATOM 1204 OE1 GLU A 79 6.522 25.424 1.683 1.00 0.00 O ATOM 1205 OE2 GLU A 79 8.694 25.141 1.875 1.00 0.00 O ATOM 0 H GLU A 79 6.774 25.489 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 79 8.888 24.875 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.123 25.494 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.884 24.061 -0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.924 25.858 -0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.545 26.929 -0.329 1.00 0.00 H new ATOM 1212 N VAL A 80 8.552 22.615 -3.294 1.00 0.00 N ATOM 1213 CA VAL A 80 8.385 21.260 -3.803 1.00 0.00 C ATOM 1214 C VAL A 80 8.407 20.235 -2.678 1.00 0.00 C ATOM 1215 O VAL A 80 7.382 19.632 -2.358 1.00 0.00 O ATOM 1216 CB VAL A 80 9.472 20.905 -4.822 1.00 0.00 C ATOM 1217 CG1 VAL A 80 9.223 19.527 -5.419 1.00 0.00 C ATOM 1218 CG2 VAL A 80 9.553 21.963 -5.911 1.00 0.00 C ATOM 0 H VAL A 80 9.521 22.893 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 80 7.412 21.231 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 80 10.431 20.879 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.007 19.296 -6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.228 18.780 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.255 19.517 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.331 21.692 -6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.595 22.029 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.791 22.928 -5.464 1.00 0.00 H new ATOM 1228 N VAL A 81 9.584 20.046 -2.081 1.00 0.00 N ATOM 1229 CA VAL A 81 9.761 19.098 -0.988 1.00 0.00 C ATOM 1230 C VAL A 81 8.888 17.855 -1.174 1.00 0.00 C ATOM 1231 O VAL A 81 7.913 17.652 -0.452 1.00 0.00 O ATOM 1232 CB VAL A 81 9.453 19.771 0.358 1.00 0.00 C ATOM 1233 CG1 VAL A 81 8.081 20.424 0.327 1.00 0.00 C ATOM 1234 CG2 VAL A 81 9.568 18.781 1.507 1.00 0.00 C ATOM 0 H VAL A 81 10.435 20.544 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 81 10.802 18.776 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 81 10.195 20.552 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.881 20.895 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.055 21.178 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.322 19.667 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.344 19.286 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.861 17.965 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.581 18.381 1.542 1.00 0.00 H new ATOM 1244 N PRO A 82 9.235 17.008 -2.161 1.00 0.00 N ATOM 1245 CA PRO A 82 8.497 15.785 -2.469 1.00 0.00 C ATOM 1246 C PRO A 82 8.032 15.046 -1.219 1.00 0.00 C ATOM 1247 O PRO A 82 8.820 14.778 -0.311 1.00 0.00 O ATOM 1248 CB PRO A 82 9.507 14.932 -3.256 1.00 0.00 C ATOM 1249 CG PRO A 82 10.755 15.753 -3.370 1.00 0.00 C ATOM 1250 CD PRO A 82 10.373 17.173 -3.067 1.00 0.00 C ATOM 0 HA PRO A 82 7.583 16.001 -3.023 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.706 13.992 -2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.117 14.679 -4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.514 15.400 -2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.180 15.673 -4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.189 17.722 -2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.098 17.721 -3.968 1.00 0.00 H new ATOM 1258 N LYS A 83 6.745 14.721 -1.183 1.00 0.00 N ATOM 1259 CA LYS A 83 6.162 14.010 -0.051 1.00 0.00 C ATOM 1260 C LYS A 83 6.129 12.510 -0.309 1.00 0.00 C ATOM 1261 O LYS A 83 6.304 12.055 -1.440 1.00 0.00 O ATOM 1262 CB LYS A 83 4.750 14.526 0.231 1.00 0.00 C ATOM 1263 CG LYS A 83 3.833 14.485 -0.980 1.00 0.00 C ATOM 1264 CD LYS A 83 2.369 14.512 -0.573 1.00 0.00 C ATOM 1265 CE LYS A 83 1.503 13.741 -1.555 1.00 0.00 C ATOM 1266 NZ LYS A 83 1.752 14.158 -2.963 1.00 0.00 N ATOM 0 H LYS A 83 6.083 14.939 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 83 6.787 14.194 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.308 13.932 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.813 15.552 0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.047 15.335 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.034 13.584 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.260 14.084 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.025 15.545 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.700 12.674 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.452 13.896 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.011 13.765 -3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.739 15.196 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.681 13.805 -3.271 1.00 0.00 H new ATOM 1280 N PRO A 84 5.918 11.721 0.753 1.00 0.00 N ATOM 1281 CA PRO A 84 5.876 10.262 0.681 1.00 0.00 C ATOM 1282 C PRO A 84 4.523 9.746 0.202 1.00 0.00 C ATOM 1283 O PRO A 84 3.519 9.863 0.905 1.00 0.00 O ATOM 1284 CB PRO A 84 6.143 9.831 2.137 1.00 0.00 C ATOM 1285 CG PRO A 84 6.421 11.100 2.887 1.00 0.00 C ATOM 1286 CD PRO A 84 5.723 12.177 2.126 1.00 0.00 C ATOM 0 HA PRO A 84 6.596 9.862 -0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.283 9.308 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.990 9.148 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.050 11.040 3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.492 11.293 2.947 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.668 12.251 2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.165 13.158 2.301 1.00 0.00 H new ATOM 1311 N ARG A 86 1.949 7.033 -0.352 1.00 0.00 N ATOM 1312 CA ARG A 86 1.585 5.717 0.160 1.00 0.00 C ATOM 1313 C ARG A 86 0.250 5.267 -0.423 1.00 0.00 C ATOM 1314 O ARG A 86 -0.727 6.014 -0.400 1.00 0.00 O ATOM 1315 CB ARG A 86 1.502 5.745 1.687 1.00 0.00 C ATOM 1316 CG ARG A 86 2.690 6.426 2.350 1.00 0.00 C ATOM 1317 CD ARG A 86 2.270 7.684 3.094 1.00 0.00 C ATOM 1318 NE ARG A 86 3.305 8.147 4.015 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.654 7.499 5.124 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.053 6.363 5.454 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.607 7.989 5.907 1.00 0.00 N ATOM 0 HA ARG A 86 2.356 5.008 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.588 6.259 1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.427 4.722 2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.166 5.734 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.433 6.680 1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.045 8.472 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.353 7.488 3.649 1.00 0.00 H new ATOM 0 HE ARG A 86 3.789 9.018 3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.319 5.982 4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.325 5.871 6.305 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.072 8.862 5.659 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.874 7.492 6.757 1.00 0.00 H new ATOM 1335 N HIS A 87 0.212 4.045 -0.943 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.011 3.511 -1.527 1.00 0.00 C ATOM 1337 C HIS A 87 -1.787 2.710 -0.490 1.00 0.00 C ATOM 1338 O HIS A 87 -1.349 1.641 -0.066 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.686 2.630 -2.737 1.00 0.00 C ATOM 1340 CG HIS A 87 0.494 3.107 -3.526 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.383 3.946 -4.615 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.818 2.862 -3.374 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.588 4.195 -5.100 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.475 3.551 -4.365 1.00 0.00 N ATOM 0 H HIS A 87 1.009 3.410 -0.972 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.628 4.346 -1.859 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.496 1.613 -2.395 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.557 2.589 -3.391 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.272 2.241 -2.616 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.809 4.820 -5.953 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.485 3.563 -4.509 1.00 0.00 H new ATOM 1353 N MET A 88 -2.938 3.234 -0.079 1.00 0.00 N ATOM 1354 CA MET A 88 -3.767 2.566 0.916 1.00 0.00 C ATOM 1355 C MET A 88 -5.011 1.963 0.279 1.00 0.00 C ATOM 1356 O MET A 88 -5.655 2.585 -0.566 1.00 0.00 O ATOM 1357 CB MET A 88 -4.170 3.549 2.018 1.00 0.00 C ATOM 1358 CG MET A 88 -4.423 2.885 3.362 1.00 0.00 C ATOM 1359 SD MET A 88 -6.179 2.705 3.730 1.00 0.00 S ATOM 1360 CE MET A 88 -6.127 2.426 5.499 1.00 0.00 C ATOM 0 H MET A 88 -3.316 4.118 -0.420 1.00 0.00 H new ATOM 0 HA MET A 88 -3.180 1.758 1.353 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.384 4.295 2.133 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.071 4.080 1.709 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.951 1.902 3.372 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.950 3.473 4.148 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.113 2.612 5.926 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.835 1.395 5.696 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.402 3.101 5.953 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.342 0.746 0.692 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.509 0.051 0.169 1.00 0.00 C ATOM 1372 C PHE A 89 -7.277 -0.635 1.291 1.00 0.00 C ATOM 1373 O PHE A 89 -6.702 -1.378 2.086 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.096 -0.983 -0.880 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.021 -0.510 -1.815 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.727 -0.314 -1.362 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.305 -0.266 -3.149 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.737 0.117 -2.220 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.315 0.164 -4.013 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.030 0.356 -3.548 1.00 0.00 C ATOM 0 H PHE A 89 -4.816 0.219 1.390 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.157 0.792 -0.299 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.750 -1.883 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.973 -1.263 -1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.490 -0.501 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.309 -0.413 -3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.732 0.268 -1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.547 0.350 -5.051 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.255 0.692 -4.221 1.00 0.00 H new ATOM 1390 N SER A 90 -8.581 -0.388 1.348 1.00 0.00 N ATOM 1391 CA SER A 90 -9.423 -0.992 2.374 1.00 0.00 C ATOM 1392 C SER A 90 -10.122 -2.231 1.836 1.00 0.00 C ATOM 1393 O SER A 90 -10.956 -2.143 0.934 1.00 0.00 O ATOM 1394 CB SER A 90 -10.465 0.013 2.867 1.00 0.00 C ATOM 1395 OG SER A 90 -10.048 1.344 2.620 1.00 0.00 O ATOM 0 H SER A 90 -9.076 0.223 0.699 1.00 0.00 H new ATOM 0 HA SER A 90 -8.784 -1.283 3.208 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.417 -0.171 2.369 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.632 -0.127 3.935 1.00 0.00 H new ATOM 0 HG SER A 90 -10.733 1.967 2.943 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.777 -3.387 2.388 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.375 -4.639 1.952 1.00 0.00 C ATOM 1403 C PHE A 91 -11.616 -4.979 2.768 1.00 0.00 C ATOM 1404 O PHE A 91 -11.689 -4.694 3.963 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.354 -5.767 2.051 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.341 -5.728 0.950 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.354 -4.757 0.934 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.384 -6.652 -0.076 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.426 -4.712 -0.085 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.458 -6.613 -1.100 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.477 -5.642 -1.104 1.00 0.00 C ATOM 0 H PHE A 91 -9.089 -3.482 3.135 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.682 -4.521 0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.843 -5.705 3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.874 -6.725 2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.310 -4.027 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.150 -7.413 -0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.660 -3.950 -0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.501 -7.341 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.751 -5.610 -1.903 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.589 -5.597 2.106 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.832 -5.989 2.758 1.00 0.00 C ATOM 1423 C ASN A 92 -13.891 -7.503 2.928 1.00 0.00 C ATOM 1424 O ASN A 92 -14.972 -8.093 2.964 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.031 -5.508 1.939 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.176 -5.032 2.812 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.623 -5.743 3.712 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.655 -3.822 2.551 1.00 0.00 N ATOM 0 H ASN A 92 -12.540 -5.837 1.116 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.866 -5.526 3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.717 -4.696 1.283 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.379 -6.319 1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.424 -3.447 3.106 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.254 -3.267 1.795 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.721 -8.127 3.027 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.637 -9.575 3.188 1.00 0.00 C ATOM 1437 C ASN A 93 -11.241 -9.991 3.624 1.00 0.00 C ATOM 1438 O ASN A 93 -10.284 -9.896 2.856 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.004 -10.275 1.879 1.00 0.00 C ATOM 1440 CG ASN A 93 -13.769 -11.564 2.108 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -13.484 -12.312 3.043 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -14.750 -11.830 1.252 1.00 0.00 N ATOM 0 H ASN A 93 -11.818 -7.653 2.999 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.344 -9.872 3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.605 -9.603 1.267 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.095 -10.490 1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.301 -12.682 1.356 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.952 -11.182 0.491 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.130 -10.460 4.863 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.845 -10.897 5.394 1.00 0.00 C ATOM 1451 C ARG A 94 -9.269 -12.011 4.538 1.00 0.00 C ATOM 1452 O ARG A 94 -8.058 -12.222 4.510 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.992 -11.365 6.845 1.00 0.00 C ATOM 1454 CG ARG A 94 -9.410 -10.390 7.859 1.00 0.00 C ATOM 1455 CD ARG A 94 -8.324 -11.038 8.707 1.00 0.00 C ATOM 1456 NE ARG A 94 -8.718 -11.148 10.110 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.511 -12.106 10.585 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -9.999 -13.037 9.775 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -9.817 -12.133 11.875 1.00 0.00 N ATOM 0 H ARG A 94 -11.910 -10.547 5.514 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.159 -10.050 5.372 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.049 -11.517 7.064 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.501 -12.331 6.958 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.997 -9.526 7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.205 -10.021 8.507 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.101 -12.030 8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.408 -10.452 8.633 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.365 -10.450 10.764 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.767 -13.021 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.606 -13.768 10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.445 -11.420 12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.425 -12.867 12.240 1.00 0.00 H new ATOM 1473 N THR A 95 -10.141 -12.712 3.827 1.00 0.00 N ATOM 1474 CA THR A 95 -9.724 -13.782 2.962 1.00 0.00 C ATOM 1475 C THR A 95 -9.046 -13.212 1.729 1.00 0.00 C ATOM 1476 O THR A 95 -7.989 -13.683 1.311 1.00 0.00 O ATOM 1477 CB THR A 95 -10.941 -14.602 2.580 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.035 -14.311 3.432 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.699 -16.085 2.642 1.00 0.00 C ATOM 0 H THR A 95 -11.148 -12.549 3.840 1.00 0.00 H new ATOM 0 HA THR A 95 -9.008 -14.424 3.475 1.00 0.00 H new ATOM 0 HB THR A 95 -11.162 -14.325 1.549 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.583 -13.604 3.031 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.608 -16.614 2.357 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.894 -16.351 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.419 -16.366 3.657 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.650 -12.172 1.171 1.00 0.00 N ATOM 1488 CA VAL A 96 -9.096 -11.508 0.007 1.00 0.00 C ATOM 1489 C VAL A 96 -7.776 -10.852 0.379 1.00 0.00 C ATOM 1490 O VAL A 96 -6.753 -11.069 -0.271 1.00 0.00 O ATOM 1491 CB VAL A 96 -10.067 -10.444 -0.547 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.364 -9.519 -1.528 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.269 -11.110 -1.199 1.00 0.00 C ATOM 0 H VAL A 96 -10.525 -11.772 1.509 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.935 -12.256 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.419 -9.838 0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.072 -8.780 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.542 -9.011 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -8.974 -10.102 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.944 -10.346 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.933 -11.744 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.793 -11.718 -0.461 1.00 0.00 H new ATOM 1503 N MET A 97 -7.803 -10.058 1.444 1.00 0.00 N ATOM 1504 CA MET A 97 -6.607 -9.384 1.916 1.00 0.00 C ATOM 1505 C MET A 97 -5.550 -10.413 2.299 1.00 0.00 C ATOM 1506 O MET A 97 -4.357 -10.203 2.083 1.00 0.00 O ATOM 1507 CB MET A 97 -6.938 -8.473 3.101 1.00 0.00 C ATOM 1508 CG MET A 97 -7.003 -9.185 4.443 1.00 0.00 C ATOM 1509 SD MET A 97 -5.451 -9.092 5.353 1.00 0.00 S ATOM 1510 CE MET A 97 -5.933 -8.023 6.704 1.00 0.00 C ATOM 0 H MET A 97 -8.641 -9.868 1.994 1.00 0.00 H new ATOM 0 HA MET A 97 -6.210 -8.761 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.188 -7.685 3.158 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.896 -7.988 2.914 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.799 -8.747 5.044 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.264 -10.231 4.283 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.067 -7.458 7.048 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.705 -7.332 6.364 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.322 -8.626 7.524 1.00 0.00 H new ATOM 1520 N ASP A 98 -6.000 -11.534 2.855 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.090 -12.603 3.247 1.00 0.00 C ATOM 1522 C ASP A 98 -4.345 -13.127 2.030 1.00 0.00 C ATOM 1523 O ASP A 98 -3.182 -13.517 2.117 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.849 -13.743 3.928 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.901 -13.586 5.436 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.888 -13.149 6.022 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.954 -13.899 6.030 1.00 0.00 O ATOM 0 H ASP A 98 -6.984 -11.724 3.043 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.371 -12.196 3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.865 -13.785 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.372 -14.691 3.681 1.00 0.00 H new ATOM 1532 N ASN A 99 -5.029 -13.120 0.893 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.442 -13.582 -0.359 1.00 0.00 C ATOM 1534 C ASN A 99 -3.589 -12.484 -0.989 1.00 0.00 C ATOM 1535 O ASN A 99 -2.664 -12.761 -1.753 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.539 -14.015 -1.333 1.00 0.00 C ATOM 1537 CG ASN A 99 -5.990 -15.443 -1.099 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.749 -16.325 -1.923 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -6.648 -15.678 0.030 1.00 0.00 N ATOM 0 H ASN A 99 -5.994 -12.799 0.812 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.804 -14.439 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.394 -13.346 -1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.173 -13.915 -2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.976 -16.620 0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.826 -14.916 0.685 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.908 -11.236 -0.660 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.177 -10.090 -1.185 1.00 0.00 C ATOM 1548 C ILE A 100 -1.939 -9.802 -0.347 1.00 0.00 C ATOM 1549 O ILE A 100 -0.815 -9.835 -0.845 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.071 -8.834 -1.207 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.198 -9.013 -2.224 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.253 -7.585 -1.514 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.774 -8.764 -3.653 1.00 0.00 C ATOM 0 H ILE A 100 -4.672 -10.993 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.873 -10.337 -2.202 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.511 -8.704 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.591 -10.026 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.013 -8.334 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.908 -6.714 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.487 -7.455 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.778 -7.692 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.627 -8.910 -4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.409 -7.742 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.980 -9.460 -3.924 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.160 -9.519 0.931 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.070 -9.224 1.849 1.00 0.00 C ATOM 1567 C LYS A 101 -0.021 -10.333 1.818 1.00 0.00 C ATOM 1568 O LYS A 101 1.154 -10.095 2.091 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.611 -9.066 3.272 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.534 -8.787 4.309 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.671 -9.700 5.516 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.998 -9.493 6.226 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.869 -8.574 7.391 1.00 0.00 N ATOM 0 H LYS A 101 -3.087 -9.488 1.355 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.601 -8.292 1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.336 -8.253 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.145 -9.974 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.449 -8.923 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.597 -7.747 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.586 -10.739 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.147 -9.511 6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.726 -9.088 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.383 -10.455 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.792 -8.140 7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.548 -9.110 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.177 -7.829 7.171 1.00 0.00 H new ATOM 1587 N MET A 102 -0.456 -11.546 1.486 1.00 0.00 N ATOM 1588 CA MET A 102 0.447 -12.685 1.425 1.00 0.00 C ATOM 1589 C MET A 102 1.199 -12.706 0.104 1.00 0.00 C ATOM 1590 O MET A 102 2.390 -13.010 0.064 1.00 0.00 O ATOM 1591 CB MET A 102 -0.322 -13.996 1.624 1.00 0.00 C ATOM 1592 CG MET A 102 -1.112 -14.457 0.404 1.00 0.00 C ATOM 1593 SD MET A 102 -1.661 -16.170 0.536 1.00 0.00 S ATOM 1594 CE MET A 102 -2.461 -16.158 2.139 1.00 0.00 C ATOM 0 H MET A 102 -1.426 -11.762 1.256 1.00 0.00 H new ATOM 0 HA MET A 102 1.173 -12.585 2.232 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.385 -14.779 1.901 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.009 -13.876 2.462 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.980 -13.811 0.273 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.494 -14.346 -0.487 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.485 -17.171 2.541 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.906 -15.511 2.818 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.480 -15.785 2.034 1.00 0.00 H new ATOM 1604 N THR A 103 0.500 -12.379 -0.977 1.00 0.00 N ATOM 1605 CA THR A 103 1.114 -12.363 -2.287 1.00 0.00 C ATOM 1606 C THR A 103 2.005 -11.134 -2.431 1.00 0.00 C ATOM 1607 O THR A 103 3.035 -11.174 -3.101 1.00 0.00 O ATOM 1608 CB THR A 103 0.032 -12.392 -3.373 1.00 0.00 C ATOM 1609 OG1 THR A 103 -0.168 -13.713 -3.843 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.345 -11.526 -4.568 1.00 0.00 C ATOM 0 H THR A 103 -0.487 -12.123 -0.966 1.00 0.00 H new ATOM 0 HA THR A 103 1.737 -13.249 -2.404 1.00 0.00 H new ATOM 0 HB THR A 103 -0.863 -11.998 -2.891 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.863 -13.713 -4.534 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.466 -11.599 -5.292 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.454 -10.490 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.274 -11.863 -5.028 1.00 0.00 H new ATOM 1618 N LEU A 104 1.601 -10.047 -1.786 1.00 0.00 N ATOM 1619 CA LEU A 104 2.361 -8.808 -1.830 1.00 0.00 C ATOM 1620 C LEU A 104 3.757 -9.018 -1.252 1.00 0.00 C ATOM 1621 O LEU A 104 4.758 -8.798 -1.933 1.00 0.00 O ATOM 1622 CB LEU A 104 1.625 -7.711 -1.054 1.00 0.00 C ATOM 1623 CG LEU A 104 0.612 -6.905 -1.870 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.354 -6.169 -0.956 1.00 0.00 C ATOM 1625 CD2 LEU A 104 1.332 -5.916 -2.764 1.00 0.00 C ATOM 0 H LEU A 104 0.750 -10.000 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 104 2.461 -8.497 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.107 -8.169 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.363 -7.024 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 104 0.042 -7.598 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.065 -5.603 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.893 -6.889 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.202 -5.486 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.602 -5.348 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.921 -5.234 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.992 -6.454 -3.445 1.00 0.00 H new ATOM 1637 N GLN A 105 3.818 -9.451 0.005 1.00 0.00 N ATOM 1638 CA GLN A 105 5.097 -9.694 0.663 1.00 0.00 C ATOM 1639 C GLN A 105 5.811 -10.891 0.040 1.00 0.00 C ATOM 1640 O GLN A 105 7.040 -10.916 -0.036 1.00 0.00 O ATOM 1641 CB GLN A 105 4.910 -9.919 2.166 1.00 0.00 C ATOM 1642 CG GLN A 105 3.887 -10.989 2.514 1.00 0.00 C ATOM 1643 CD GLN A 105 3.186 -10.713 3.830 1.00 0.00 C ATOM 1644 OE1 GLN A 105 3.080 -11.592 4.686 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.704 -9.487 3.998 1.00 0.00 N ATOM 0 H GLN A 105 3.000 -9.640 0.585 1.00 0.00 H new ATOM 0 HA GLN A 105 5.714 -8.807 0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.870 -10.194 2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.607 -8.979 2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.146 -11.052 1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.383 -11.958 2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.815 -8.790 3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.223 -9.242 4.864 1.00 0.00 H new ATOM 1654 N GLN A 106 5.041 -11.879 -0.416 1.00 0.00 N ATOM 1655 CA GLN A 106 5.621 -13.065 -1.043 1.00 0.00 C ATOM 1656 C GLN A 106 6.567 -12.652 -2.163 1.00 0.00 C ATOM 1657 O GLN A 106 7.595 -13.286 -2.397 1.00 0.00 O ATOM 1658 CB GLN A 106 4.522 -13.977 -1.596 1.00 0.00 C ATOM 1659 CG GLN A 106 4.225 -15.178 -0.714 1.00 0.00 C ATOM 1660 CD GLN A 106 3.530 -16.295 -1.465 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.371 -16.613 -1.198 1.00 0.00 O ATOM 1662 NE2 GLN A 106 4.237 -16.901 -2.412 1.00 0.00 N ATOM 0 H GLN A 106 4.022 -11.882 -0.364 1.00 0.00 H new ATOM 0 HA GLN A 106 6.180 -13.617 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.609 -13.395 -1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.816 -14.328 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.157 -15.554 -0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.601 -14.864 0.122 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.195 -16.606 -2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.822 -17.662 -2.950 1.00 0.00 H new ATOM 1671 N ILE A 107 6.207 -11.567 -2.839 1.00 0.00 N ATOM 1672 CA ILE A 107 7.009 -11.029 -3.925 1.00 0.00 C ATOM 1673 C ILE A 107 8.092 -10.114 -3.373 1.00 0.00 C ATOM 1674 O ILE A 107 9.273 -10.282 -3.671 1.00 0.00 O ATOM 1675 CB ILE A 107 6.137 -10.249 -4.923 1.00 0.00 C ATOM 1676 CG1 ILE A 107 4.895 -11.061 -5.301 1.00 0.00 C ATOM 1677 CG2 ILE A 107 6.944 -9.907 -6.158 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.678 -10.207 -5.583 1.00 0.00 C ATOM 0 H ILE A 107 5.355 -11.040 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 107 7.471 -11.867 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 107 5.808 -9.323 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.119 -11.663 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.663 -11.754 -4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.319 -9.355 -6.860 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.800 -9.295 -5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.294 -10.825 -6.629 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.836 -10.848 -5.844 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.429 -9.624 -4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 107 3.891 -9.532 -6.412 1.00 0.00 H new ATOM 1690 N ILE A 108 7.678 -9.157 -2.550 1.00 0.00 N ATOM 1691 CA ILE A 108 8.605 -8.215 -1.923 1.00 0.00 C ATOM 1692 C ILE A 108 9.849 -8.924 -1.424 1.00 0.00 C ATOM 1693 O ILE A 108 10.967 -8.604 -1.820 1.00 0.00 O ATOM 1694 CB ILE A 108 7.950 -7.484 -0.736 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.626 -6.843 -1.179 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.914 -6.455 -0.152 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.515 -5.359 -0.893 1.00 0.00 C ATOM 0 H ILE A 108 6.700 -9.011 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 108 8.877 -7.488 -2.689 1.00 0.00 H new ATOM 0 HB ILE A 108 7.723 -8.202 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.501 -7.003 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.804 -7.358 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.438 -5.946 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.817 -6.958 0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.176 -5.726 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.549 -4.993 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.605 -5.187 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.312 -4.828 -1.413 1.00 0.00 H new ATOM 1709 N SER A 109 9.633 -9.896 -0.557 1.00 0.00 N ATOM 1710 CA SER A 109 10.723 -10.680 0.015 1.00 0.00 C ATOM 1711 C SER A 109 11.696 -11.141 -1.067 1.00 0.00 C ATOM 1712 O SER A 109 12.875 -11.375 -0.800 1.00 0.00 O ATOM 1713 CB SER A 109 10.168 -11.889 0.772 1.00 0.00 C ATOM 1714 OG SER A 109 10.769 -12.010 2.050 1.00 0.00 O ATOM 0 H SER A 109 8.706 -10.166 -0.228 1.00 0.00 H new ATOM 0 HA SER A 109 11.266 -10.042 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.088 -11.789 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.346 -12.797 0.195 1.00 0.00 H new ATOM 0 HG SER A 109 10.397 -12.789 2.514 1.00 0.00 H new ATOM 1720 N ARG A 110 11.192 -11.267 -2.287 1.00 0.00 N ATOM 1721 CA ARG A 110 12.009 -11.695 -3.415 1.00 0.00 C ATOM 1722 C ARG A 110 12.964 -10.592 -3.859 1.00 0.00 C ATOM 1723 O ARG A 110 14.010 -10.868 -4.440 1.00 0.00 O ATOM 1724 CB ARG A 110 11.127 -12.125 -4.588 1.00 0.00 C ATOM 1725 CG ARG A 110 9.997 -13.061 -4.190 1.00 0.00 C ATOM 1726 CD ARG A 110 9.342 -13.692 -5.408 1.00 0.00 C ATOM 1727 NE ARG A 110 8.997 -15.093 -5.180 1.00 0.00 N ATOM 1728 CZ ARG A 110 9.875 -16.092 -5.238 1.00 0.00 C ATOM 1729 NH1 ARG A 110 11.150 -15.849 -5.516 1.00 0.00 N ATOM 1730 NH2 ARG A 110 9.477 -17.337 -5.018 1.00 0.00 N ATOM 0 H ARG A 110 10.217 -11.078 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 110 12.602 -12.548 -3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.704 -11.237 -5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.748 -12.617 -5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.384 -13.843 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.250 -12.510 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.442 -13.134 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 110 10.017 -13.619 -6.261 1.00 0.00 H new ATOM 0 HE ARG A 110 8.026 -15.319 -4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 110 11.462 -14.893 -5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 110 11.818 -16.618 -5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.498 -17.529 -4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 110 10.149 -18.103 -5.062 1.00 0.00 H new ATOM 1744 N TYR A 111 12.605 -9.343 -3.579 1.00 0.00 N ATOM 1745 CA TYR A 111 13.445 -8.212 -3.955 1.00 0.00 C ATOM 1746 C TYR A 111 14.620 -8.111 -2.996 1.00 0.00 C ATOM 1747 O TYR A 111 15.736 -7.778 -3.390 1.00 0.00 O ATOM 1748 CB TYR A 111 12.673 -6.885 -3.941 1.00 0.00 C ATOM 1749 CG TYR A 111 11.205 -6.959 -4.330 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.660 -8.071 -4.971 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.361 -5.891 -4.048 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.325 -8.109 -5.311 1.00 0.00 C ATOM 1753 CE2 TYR A 111 9.024 -5.925 -4.387 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.510 -7.035 -5.018 1.00 0.00 C ATOM 1755 OH TYR A 111 7.179 -7.071 -5.355 1.00 0.00 O ATOM 0 H TYR A 111 11.743 -9.090 -3.096 1.00 0.00 H new ATOM 0 HA TYR A 111 13.792 -8.388 -4.973 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.741 -6.459 -2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.172 -6.191 -4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.293 -8.914 -5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.760 -5.017 -3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.917 -8.978 -5.806 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.384 -5.085 -4.159 1.00 0.00 H new ATOM 0 HH TYR A 111 6.644 -7.255 -4.555 1.00 0.00 H new ATOM 1765 N LYS A 112 14.354 -8.425 -1.733 1.00 0.00 N ATOM 1766 CA LYS A 112 15.383 -8.398 -0.707 1.00 0.00 C ATOM 1767 C LYS A 112 16.187 -9.663 -0.827 1.00 0.00 C ATOM 1768 O LYS A 112 17.419 -9.660 -0.794 1.00 0.00 O ATOM 1769 CB LYS A 112 14.801 -8.290 0.710 1.00 0.00 C ATOM 1770 CG LYS A 112 13.309 -8.512 0.771 1.00 0.00 C ATOM 1771 CD LYS A 112 12.582 -7.381 0.087 1.00 0.00 C ATOM 1772 CE LYS A 112 12.643 -6.115 0.904 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.473 -5.229 0.654 1.00 0.00 N ATOM 0 H LYS A 112 13.431 -8.701 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 112 16.002 -7.514 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.295 -9.019 1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.030 -7.303 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.056 -9.458 0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.988 -8.584 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.022 -7.204 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.541 -7.661 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.684 -6.369 1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.561 -5.577 0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.754 -4.237 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.137 -5.365 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.710 -5.466 1.320 1.00 0.00 H new ATOM 1787 N ASP A 113 15.454 -10.749 -1.008 1.00 0.00 N ATOM 1788 CA ASP A 113 16.056 -12.057 -1.186 1.00 0.00 C ATOM 1789 C ASP A 113 16.913 -12.040 -2.439 1.00 0.00 C ATOM 1790 O ASP A 113 17.933 -12.724 -2.525 1.00 0.00 O ATOM 1791 CB ASP A 113 14.982 -13.140 -1.291 1.00 0.00 C ATOM 1792 CG ASP A 113 14.385 -13.497 0.057 1.00 0.00 C ATOM 1793 OD1 ASP A 113 14.530 -12.693 1.002 1.00 0.00 O ATOM 1794 OD2 ASP A 113 13.773 -14.580 0.167 1.00 0.00 O ATOM 0 H ASP A 113 14.434 -10.748 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 113 16.677 -12.286 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.190 -12.798 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 113 15.414 -14.033 -1.742 1.00 0.00 H new ATOM 1799 N ALA A 114 16.495 -11.227 -3.404 1.00 0.00 N ATOM 1800 CA ALA A 114 17.223 -11.085 -4.650 1.00 0.00 C ATOM 1801 C ALA A 114 18.211 -9.926 -4.568 1.00 0.00 C ATOM 1802 O ALA A 114 19.155 -9.844 -5.353 1.00 0.00 O ATOM 1803 CB ALA A 114 16.267 -10.885 -5.816 1.00 0.00 C ATOM 0 H ALA A 114 15.652 -10.656 -3.342 1.00 0.00 H new ATOM 0 HA ALA A 114 17.783 -12.005 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.836 -10.781 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.603 -11.746 -5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.675 -9.984 -5.651 1.00 0.00 H new