USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 972 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 34 TYR OH : rot 82:sc= 0.93 USER MOD Set 1.2: A 53 HIS : no HE2:sc= 0.033 K(o=0.96,f=-3.4) USER MOD Set 2.1: A 33 GLN : amide:sc= 0.142 X(o=0.14,f=-0.19) USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 1 MET N :NH3+ 150:sc= 0.513 (180deg=0) USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0.462 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0525 (180deg=-0.378) USER MOD Single : A 2 ASN : amide:sc= 1.29 K(o=1.3,f=-0.016) USER MOD Single : A 10 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.006) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.63 K(o=-1.6,f=-6.2!) USER MOD Single : A 16 TYR OH : rot 130:sc= 0.00213 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.174 F(o=-2.3!,f=-0.17) USER MOD Single : A 25 MET CE :methyl -143:sc= -1.51 (180deg=-4.19!) USER MOD Single : A 32 CYS SG : rot -35:sc= -2.03 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.0569 K(o=0.057,f=-2.8!) USER MOD Single : A 79 HIS : no HD1:sc= -0.503 K(o=-0.5,f=-3.2) USER MOD Single : A 81 THR OG1 : rot 160:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.14 X(o=0.14,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 144:sc= 0.00909 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.268 F(o=-1.9!,f=-0.27) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= -0.132 USER MOD Single : A 121 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -119:sc= 0.583 (180deg=0.121) USER MOD Single : A 123 SER OG : rot 41:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.110 -0.175 1.327 1.00 0.00 N ATOM 2 CA MET A 1 0.256 -0.250 1.885 1.00 0.00 C ATOM 3 C MET A 1 0.727 -1.711 1.796 1.00 0.00 C ATOM 4 O MET A 1 0.402 -2.515 2.674 1.00 0.00 O ATOM 5 CB MET A 1 0.264 0.304 3.345 1.00 0.00 C ATOM 6 CG MET A 1 1.661 0.451 4.003 1.00 0.00 C ATOM 7 SD MET A 1 2.417 -1.117 4.506 1.00 0.00 S ATOM 8 CE MET A 1 1.301 -1.681 5.802 1.00 0.00 C ATOM 0 H1 MET A 1 -1.635 0.590 1.797 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.058 0.017 0.306 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.600 -1.079 1.485 1.00 0.00 H new ATOM 0 HA MET A 1 0.952 0.368 1.318 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.222 1.280 3.346 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.342 -0.355 3.967 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.328 0.955 3.303 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.572 1.095 4.878 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.798 -2.440 6.405 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.024 -0.838 6.435 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.405 -2.106 5.351 1.00 0.00 H new ATOM 20 N ASN A 2 1.400 -2.060 0.664 1.00 0.00 N ATOM 21 CA ASN A 2 1.862 -3.451 0.347 1.00 0.00 C ATOM 22 C ASN A 2 0.671 -4.453 0.258 1.00 0.00 C ATOM 23 O ASN A 2 0.866 -5.667 0.188 1.00 0.00 O ATOM 24 CB ASN A 2 2.937 -3.945 1.368 1.00 0.00 C ATOM 25 CG ASN A 2 4.224 -3.118 1.342 1.00 0.00 C ATOM 26 OD1 ASN A 2 5.182 -3.448 0.638 1.00 0.00 O ATOM 27 ND2 ASN A 2 4.248 -2.025 2.091 1.00 0.00 N ATOM 0 H ASN A 2 1.641 -1.384 -0.061 1.00 0.00 H new ATOM 0 HA ASN A 2 2.330 -3.413 -0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 2 2.515 -3.915 2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.178 -4.986 1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 2 5.075 -1.429 2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 2 3.439 -1.780 2.662 1.00 0.00 H new ATOM 34 N SER A 3 -0.554 -3.905 0.174 1.00 0.00 N ATOM 35 CA SER A 3 -1.806 -4.653 0.337 1.00 0.00 C ATOM 36 C SER A 3 -2.147 -5.502 -0.895 1.00 0.00 C ATOM 37 O SER A 3 -2.915 -6.450 -0.776 1.00 0.00 O ATOM 38 CB SER A 3 -2.946 -3.670 0.670 1.00 0.00 C ATOM 39 OG SER A 3 -2.577 -2.813 1.744 1.00 0.00 O ATOM 0 H SER A 3 -0.701 -2.913 -0.012 1.00 0.00 H new ATOM 0 HA SER A 3 -1.678 -5.355 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.187 -3.074 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.846 -4.226 0.935 1.00 0.00 H new ATOM 0 HG SER A 3 -3.313 -2.196 1.938 1.00 0.00 H new ATOM 45 N GLU A 4 -1.567 -5.172 -2.072 1.00 0.00 N ATOM 46 CA GLU A 4 -1.744 -5.984 -3.307 1.00 0.00 C ATOM 47 C GLU A 4 -0.961 -7.304 -3.226 1.00 0.00 C ATOM 48 O GLU A 4 -1.231 -8.242 -3.982 1.00 0.00 O ATOM 49 CB GLU A 4 -1.337 -5.212 -4.595 1.00 0.00 C ATOM 50 CG GLU A 4 0.104 -4.653 -4.626 1.00 0.00 C ATOM 51 CD GLU A 4 0.244 -3.284 -3.941 1.00 0.00 C ATOM 52 OE1 GLU A 4 -0.158 -2.266 -4.543 1.00 0.00 O ATOM 53 OE2 GLU A 4 0.724 -3.222 -2.793 1.00 0.00 O ATOM 0 H GLU A 4 -0.973 -4.352 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.810 -6.203 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.465 -5.877 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.030 -4.382 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.772 -5.364 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.430 -4.567 -5.663 1.00 0.00 H new ATOM 60 N ILE A 5 0.032 -7.343 -2.329 1.00 0.00 N ATOM 61 CA ILE A 5 0.799 -8.557 -2.016 1.00 0.00 C ATOM 62 C ILE A 5 0.086 -9.318 -0.884 1.00 0.00 C ATOM 63 O ILE A 5 0.185 -10.543 -0.774 1.00 0.00 O ATOM 64 CB ILE A 5 2.263 -8.184 -1.601 1.00 0.00 C ATOM 65 CG1 ILE A 5 2.918 -7.236 -2.658 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.135 -9.435 -1.357 1.00 0.00 C ATOM 67 CD1 ILE A 5 3.001 -7.783 -4.075 1.00 0.00 C ATOM 0 H ILE A 5 0.329 -6.526 -1.795 1.00 0.00 H new ATOM 0 HA ILE A 5 0.856 -9.195 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 5 2.204 -7.649 -0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.354 -6.303 -2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.926 -6.991 -2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.141 -9.127 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.698 -10.033 -0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.182 -10.029 -2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.472 -7.044 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.594 -8.698 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.997 -8.000 -4.441 1.00 0.00 H new ATOM 79 N GLU A 6 -0.650 -8.562 -0.052 1.00 0.00 N ATOM 80 CA GLU A 6 -1.513 -9.131 0.996 1.00 0.00 C ATOM 81 C GLU A 6 -2.843 -9.662 0.414 1.00 0.00 C ATOM 82 O GLU A 6 -3.496 -10.462 1.069 1.00 0.00 O ATOM 83 CB GLU A 6 -1.797 -8.075 2.099 1.00 0.00 C ATOM 84 CG GLU A 6 -0.539 -7.559 2.817 1.00 0.00 C ATOM 85 CD GLU A 6 -0.827 -6.442 3.834 1.00 0.00 C ATOM 86 OE1 GLU A 6 -1.197 -6.758 4.984 1.00 0.00 O ATOM 87 OE2 GLU A 6 -0.721 -5.247 3.477 1.00 0.00 O ATOM 0 H GLU A 6 -0.663 -7.543 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.980 -9.974 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.318 -7.229 1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.471 -8.510 2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.056 -8.391 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.168 -7.189 2.074 1.00 0.00 H new ATOM 94 N LEU A 7 -3.247 -9.209 -0.802 1.00 0.00 N ATOM 95 CA LEU A 7 -4.505 -9.677 -1.446 1.00 0.00 C ATOM 96 C LEU A 7 -4.478 -11.208 -1.717 1.00 0.00 C ATOM 97 O LEU A 7 -5.432 -11.892 -1.345 1.00 0.00 O ATOM 98 CB LEU A 7 -4.851 -8.897 -2.757 1.00 0.00 C ATOM 99 CG LEU A 7 -5.280 -7.405 -2.605 1.00 0.00 C ATOM 100 CD1 LEU A 7 -5.550 -6.750 -3.978 1.00 0.00 C ATOM 101 CD2 LEU A 7 -6.493 -7.266 -1.660 1.00 0.00 C ATOM 0 H LEU A 7 -2.726 -8.527 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.298 -9.465 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.980 -8.933 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.655 -9.430 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.448 -6.868 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.847 -5.711 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.645 -6.788 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.350 -7.288 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.769 -6.215 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.334 -7.830 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.234 -7.655 -0.675 1.00 0.00 H new ATOM 113 N PRO A 8 -3.402 -11.794 -2.376 1.00 0.00 N ATOM 114 CA PRO A 8 -3.282 -13.265 -2.519 1.00 0.00 C ATOM 115 C PRO A 8 -3.248 -13.969 -1.151 1.00 0.00 C ATOM 116 O PRO A 8 -4.101 -14.799 -0.854 1.00 0.00 O ATOM 117 CB PRO A 8 -1.962 -13.477 -3.332 1.00 0.00 C ATOM 118 CG PRO A 8 -1.223 -12.186 -3.209 1.00 0.00 C ATOM 119 CD PRO A 8 -2.276 -11.111 -3.073 1.00 0.00 C ATOM 0 HA PRO A 8 -4.141 -13.702 -3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.379 -14.306 -2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.174 -13.713 -4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.562 -12.196 -2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.598 -12.010 -4.084 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.907 -10.262 -2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.583 -10.728 -4.046 1.00 0.00 H new ATOM 127 N VAL A 9 -2.298 -13.535 -0.325 1.00 0.00 N ATOM 128 CA VAL A 9 -1.951 -14.134 0.978 1.00 0.00 C ATOM 129 C VAL A 9 -3.159 -14.270 1.939 1.00 0.00 C ATOM 130 O VAL A 9 -3.396 -15.342 2.523 1.00 0.00 O ATOM 131 CB VAL A 9 -0.785 -13.276 1.595 1.00 0.00 C ATOM 132 CG1 VAL A 9 -0.649 -13.451 3.117 1.00 0.00 C ATOM 133 CG2 VAL A 9 0.549 -13.603 0.865 1.00 0.00 C ATOM 0 H VAL A 9 -1.721 -12.724 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.625 -15.163 0.824 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.033 -12.226 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.172 -12.834 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.576 -13.146 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.446 -14.497 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.354 -13.007 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.778 -14.662 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.450 -13.369 -0.195 1.00 0.00 H new ATOM 143 N GLN A 10 -3.915 -13.179 2.063 1.00 0.00 N ATOM 144 CA GLN A 10 -5.091 -13.091 2.947 1.00 0.00 C ATOM 145 C GLN A 10 -6.167 -14.109 2.507 1.00 0.00 C ATOM 146 O GLN A 10 -6.697 -14.868 3.336 1.00 0.00 O ATOM 147 CB GLN A 10 -5.625 -11.620 2.927 1.00 0.00 C ATOM 148 CG GLN A 10 -6.735 -11.253 3.942 1.00 0.00 C ATOM 149 CD GLN A 10 -8.162 -11.558 3.469 1.00 0.00 C ATOM 150 OE1 GLN A 10 -8.792 -10.735 2.810 1.00 0.00 O ATOM 151 NE2 GLN A 10 -8.676 -12.725 3.810 1.00 0.00 N ATOM 0 H GLN A 10 -3.731 -12.318 1.549 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.817 -13.344 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.780 -10.952 3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.002 -11.412 1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.552 -11.793 4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.662 -10.190 4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.124 -13.385 4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.625 -12.967 3.525 1.00 0.00 H new ATOM 160 N LYS A 11 -6.444 -14.130 1.192 1.00 0.00 N ATOM 161 CA LYS A 11 -7.461 -15.019 0.587 1.00 0.00 C ATOM 162 C LYS A 11 -7.031 -16.494 0.645 1.00 0.00 C ATOM 163 O LYS A 11 -7.874 -17.369 0.821 1.00 0.00 O ATOM 164 CB LYS A 11 -7.725 -14.606 -0.881 1.00 0.00 C ATOM 165 CG LYS A 11 -8.255 -13.168 -1.059 1.00 0.00 C ATOM 166 CD LYS A 11 -9.628 -12.936 -0.400 1.00 0.00 C ATOM 167 CE LYS A 11 -10.112 -11.487 -0.551 1.00 0.00 C ATOM 168 NZ LYS A 11 -11.420 -11.269 0.113 1.00 0.00 N ATOM 0 H LYS A 11 -5.971 -13.532 0.515 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.379 -14.913 1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.799 -14.710 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.444 -15.300 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.534 -12.468 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.329 -12.945 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.360 -13.609 -0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.567 -13.187 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.371 -10.811 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.197 -11.241 -1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.712 -10.279 -0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.133 -11.896 -0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.333 -11.479 1.128 1.00 0.00 H new ATOM 182 N GLN A 12 -5.712 -16.741 0.497 1.00 0.00 N ATOM 183 CA GLN A 12 -5.127 -18.097 0.540 1.00 0.00 C ATOM 184 C GLN A 12 -5.374 -18.758 1.895 1.00 0.00 C ATOM 185 O GLN A 12 -5.853 -19.885 1.952 1.00 0.00 O ATOM 186 CB GLN A 12 -3.599 -18.058 0.309 1.00 0.00 C ATOM 187 CG GLN A 12 -3.155 -17.792 -1.132 1.00 0.00 C ATOM 188 CD GLN A 12 -1.652 -17.565 -1.194 1.00 0.00 C ATOM 189 OE1 GLN A 12 -1.180 -16.438 -1.116 1.00 0.00 O ATOM 190 NE2 GLN A 12 -0.886 -18.636 -1.272 1.00 0.00 N ATOM 0 H GLN A 12 -5.023 -16.005 0.344 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.609 -18.668 -0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.172 -17.287 0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.176 -19.010 0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.427 -18.637 -1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.677 -16.919 -1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.309 -19.562 -1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.129 -18.538 -1.268 1.00 0.00 H new ATOM 199 N LEU A 13 -5.016 -18.037 2.975 1.00 0.00 N ATOM 200 CA LEU A 13 -5.158 -18.537 4.350 1.00 0.00 C ATOM 201 C LEU A 13 -6.616 -18.849 4.627 1.00 0.00 C ATOM 202 O LEU A 13 -6.941 -19.930 5.130 1.00 0.00 O ATOM 203 CB LEU A 13 -4.609 -17.513 5.381 1.00 0.00 C ATOM 204 CG LEU A 13 -4.715 -17.871 6.912 1.00 0.00 C ATOM 205 CD1 LEU A 13 -6.085 -17.557 7.551 1.00 0.00 C ATOM 206 CD2 LEU A 13 -4.275 -19.325 7.194 1.00 0.00 C ATOM 0 H LEU A 13 -4.623 -17.098 2.917 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.570 -19.449 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.558 -17.340 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.130 -16.569 5.223 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.012 -17.200 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.067 -17.835 8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.293 -16.491 7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.863 -18.123 7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.363 -19.531 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.912 -20.012 6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.239 -19.458 6.883 1.00 0.00 H new ATOM 218 N GLU A 14 -7.484 -17.885 4.302 1.00 0.00 N ATOM 219 CA GLU A 14 -8.919 -18.026 4.535 1.00 0.00 C ATOM 220 C GLU A 14 -9.487 -19.233 3.768 1.00 0.00 C ATOM 221 O GLU A 14 -10.361 -19.933 4.268 1.00 0.00 O ATOM 222 CB GLU A 14 -9.671 -16.720 4.177 1.00 0.00 C ATOM 223 CG GLU A 14 -9.511 -15.604 5.231 1.00 0.00 C ATOM 224 CD GLU A 14 -10.089 -15.997 6.605 1.00 0.00 C ATOM 225 OE1 GLU A 14 -11.312 -15.846 6.814 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.333 -16.487 7.470 1.00 0.00 O ATOM 0 H GLU A 14 -7.214 -16.998 3.876 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.072 -18.212 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.309 -16.355 3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.731 -16.943 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.454 -15.363 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.008 -14.701 4.877 1.00 0.00 H new ATOM 233 N ALA A 15 -8.928 -19.473 2.579 1.00 0.00 N ATOM 234 CA ALA A 15 -9.259 -20.625 1.733 1.00 0.00 C ATOM 235 C ALA A 15 -8.648 -21.933 2.295 1.00 0.00 C ATOM 236 O ALA A 15 -9.204 -23.015 2.104 1.00 0.00 O ATOM 237 CB ALA A 15 -8.754 -20.355 0.307 1.00 0.00 C ATOM 0 H ALA A 15 -8.221 -18.863 2.169 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.341 -20.758 1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.995 -21.205 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.235 -19.459 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.674 -20.209 0.325 1.00 0.00 H new ATOM 243 N TYR A 16 -7.517 -21.805 3.021 1.00 0.00 N ATOM 244 CA TYR A 16 -6.743 -22.958 3.532 1.00 0.00 C ATOM 245 C TYR A 16 -7.521 -23.665 4.659 1.00 0.00 C ATOM 246 O TYR A 16 -7.592 -24.901 4.701 1.00 0.00 O ATOM 247 CB TYR A 16 -5.343 -22.481 4.014 1.00 0.00 C ATOM 248 CG TYR A 16 -4.355 -23.592 4.419 1.00 0.00 C ATOM 249 CD1 TYR A 16 -3.640 -24.314 3.455 1.00 0.00 C ATOM 250 CD2 TYR A 16 -4.117 -23.908 5.762 1.00 0.00 C ATOM 251 CE1 TYR A 16 -2.737 -25.302 3.815 1.00 0.00 C ATOM 252 CE2 TYR A 16 -3.210 -24.891 6.123 1.00 0.00 C ATOM 253 CZ TYR A 16 -2.525 -25.585 5.150 1.00 0.00 C ATOM 254 OH TYR A 16 -1.622 -26.569 5.515 1.00 0.00 O ATOM 0 H TYR A 16 -7.115 -20.901 3.269 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.596 -23.681 2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.889 -21.890 3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.481 -21.816 4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.796 -24.096 2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.652 -23.374 6.533 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.201 -25.849 3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.040 -25.113 7.166 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.009 -26.215 6.193 1.00 0.00 H new ATOM 264 N ASN A 17 -8.122 -22.857 5.555 1.00 0.00 N ATOM 265 CA ASN A 17 -8.966 -23.368 6.662 1.00 0.00 C ATOM 266 C ASN A 17 -10.407 -23.673 6.181 1.00 0.00 C ATOM 267 O ASN A 17 -11.077 -24.551 6.739 1.00 0.00 O ATOM 268 CB ASN A 17 -8.988 -22.371 7.864 1.00 0.00 C ATOM 269 CG ASN A 17 -9.472 -20.954 7.504 1.00 0.00 C ATOM 270 OD1 ASN A 17 -8.540 -20.033 7.294 1.00 0.00 O flip ATOM 271 ND2 ASN A 17 -10.672 -20.681 7.454 1.00 0.00 N flip ATOM 0 H ASN A 17 -8.040 -21.841 5.536 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.520 -24.302 7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.633 -22.775 8.644 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.984 -22.304 8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.368 -21.408 7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.970 -19.728 7.247 1.00 0.00 H new ATOM 278 N ALA A 18 -10.881 -22.952 5.138 1.00 0.00 N ATOM 279 CA ALA A 18 -12.273 -23.089 4.626 1.00 0.00 C ATOM 280 C ALA A 18 -12.380 -24.108 3.476 1.00 0.00 C ATOM 281 O ALA A 18 -13.423 -24.186 2.814 1.00 0.00 O ATOM 282 CB ALA A 18 -12.824 -21.723 4.194 1.00 0.00 C ATOM 0 H ALA A 18 -10.321 -22.267 4.631 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.880 -23.473 5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.842 -21.842 3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.826 -21.045 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.196 -21.310 3.405 1.00 0.00 H new ATOM 288 N ARG A 19 -11.296 -24.890 3.257 1.00 0.00 N ATOM 289 CA ARG A 19 -11.266 -26.035 2.312 1.00 0.00 C ATOM 290 C ARG A 19 -11.483 -25.592 0.836 1.00 0.00 C ATOM 291 O ARG A 19 -11.815 -26.415 -0.028 1.00 0.00 O ATOM 292 CB ARG A 19 -12.301 -27.127 2.731 1.00 0.00 C ATOM 293 CG ARG A 19 -12.142 -27.656 4.176 1.00 0.00 C ATOM 294 CD ARG A 19 -10.810 -28.377 4.415 1.00 0.00 C ATOM 295 NE ARG A 19 -10.701 -28.884 5.802 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.040 -29.994 6.161 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.492 -30.776 5.245 1.00 0.00 N ATOM 298 NH2 ARG A 19 -9.947 -30.335 7.438 1.00 0.00 N ATOM 0 H ARG A 19 -10.408 -24.743 3.736 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.267 -26.468 2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.305 -26.718 2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.220 -27.967 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.225 -26.821 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.962 -28.339 4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.716 -29.208 3.716 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.985 -27.694 4.212 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.163 -28.350 6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.571 -30.536 4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.991 -31.618 5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.380 -29.752 8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.443 -31.181 7.705 1.00 0.00 H new ATOM 312 N ASP A 20 -11.236 -24.302 0.558 1.00 0.00 N ATOM 313 CA ASP A 20 -11.418 -23.709 -0.775 1.00 0.00 C ATOM 314 C ASP A 20 -10.097 -23.807 -1.564 1.00 0.00 C ATOM 315 O ASP A 20 -9.178 -23.035 -1.315 1.00 0.00 O ATOM 316 CB ASP A 20 -11.847 -22.209 -0.647 1.00 0.00 C ATOM 317 CG ASP A 20 -12.663 -21.688 -1.849 1.00 0.00 C ATOM 318 OD1 ASP A 20 -12.143 -21.683 -2.976 1.00 0.00 O ATOM 319 OD2 ASP A 20 -13.835 -21.289 -1.671 1.00 0.00 O ATOM 0 H ASP A 20 -10.902 -23.638 1.257 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.201 -24.253 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.437 -22.086 0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.954 -21.594 -0.532 1.00 0.00 H new ATOM 324 N ILE A 21 -9.985 -24.785 -2.469 1.00 0.00 N ATOM 325 CA ILE A 21 -8.821 -24.891 -3.378 1.00 0.00 C ATOM 326 C ILE A 21 -8.891 -23.827 -4.490 1.00 0.00 C ATOM 327 O ILE A 21 -7.856 -23.357 -4.956 1.00 0.00 O ATOM 328 CB ILE A 21 -8.678 -26.355 -3.967 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.043 -27.296 -2.899 1.00 0.00 C ATOM 330 CG2 ILE A 21 -7.865 -26.415 -5.296 1.00 0.00 C ATOM 331 CD1 ILE A 21 -6.599 -26.959 -2.564 1.00 0.00 C ATOM 0 H ILE A 21 -10.682 -25.518 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.921 -24.695 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.685 -26.693 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.638 -27.249 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.092 -28.324 -3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.808 -27.447 -5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.360 -25.806 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.859 -26.033 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.227 -27.657 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.989 -27.035 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.544 -25.943 -2.173 1.00 0.00 H new ATOM 343 N ASP A 22 -10.114 -23.422 -4.857 1.00 0.00 N ATOM 344 CA ASP A 22 -10.367 -22.528 -6.009 1.00 0.00 C ATOM 345 C ASP A 22 -9.706 -21.153 -5.793 1.00 0.00 C ATOM 346 O ASP A 22 -9.048 -20.635 -6.688 1.00 0.00 O ATOM 347 CB ASP A 22 -11.894 -22.377 -6.229 1.00 0.00 C ATOM 348 CG ASP A 22 -12.617 -23.727 -6.383 1.00 0.00 C ATOM 349 OD1 ASP A 22 -12.618 -24.291 -7.501 1.00 0.00 O ATOM 350 OD2 ASP A 22 -13.169 -24.242 -5.382 1.00 0.00 O ATOM 0 H ASP A 22 -10.963 -23.703 -4.366 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.925 -22.971 -6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.325 -21.835 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.069 -21.774 -7.120 1.00 0.00 H new ATOM 355 N ALA A 23 -9.876 -20.600 -4.580 1.00 0.00 N ATOM 356 CA ALA A 23 -9.271 -19.312 -4.170 1.00 0.00 C ATOM 357 C ALA A 23 -7.812 -19.512 -3.752 1.00 0.00 C ATOM 358 O ALA A 23 -6.953 -18.664 -4.024 1.00 0.00 O ATOM 359 CB ALA A 23 -10.086 -18.673 -3.032 1.00 0.00 C ATOM 0 H ALA A 23 -10.440 -21.033 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.288 -18.634 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.628 -17.727 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.106 -18.493 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.103 -19.345 -2.174 1.00 0.00 H new ATOM 365 N PHE A 24 -7.536 -20.666 -3.107 1.00 0.00 N ATOM 366 CA PHE A 24 -6.155 -21.081 -2.765 1.00 0.00 C ATOM 367 C PHE A 24 -5.311 -21.347 -4.048 1.00 0.00 C ATOM 368 O PHE A 24 -4.110 -21.586 -3.960 1.00 0.00 O ATOM 369 CB PHE A 24 -6.173 -22.327 -1.832 1.00 0.00 C ATOM 370 CG PHE A 24 -4.842 -22.618 -1.134 1.00 0.00 C ATOM 371 CD1 PHE A 24 -4.381 -21.778 -0.125 1.00 0.00 C ATOM 372 CD2 PHE A 24 -4.051 -23.710 -1.488 1.00 0.00 C ATOM 373 CE1 PHE A 24 -3.176 -22.010 0.508 1.00 0.00 C ATOM 374 CE2 PHE A 24 -2.845 -23.940 -0.850 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.408 -23.092 0.146 1.00 0.00 C ATOM 0 H PHE A 24 -8.252 -21.329 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.679 -20.262 -2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.943 -22.186 -1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.459 -23.200 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.978 -20.927 0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.382 -24.382 -2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.837 -21.343 1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.242 -24.790 -1.134 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.466 -23.277 0.640 1.00 0.00 H new ATOM 385 N MET A 25 -5.965 -21.351 -5.231 1.00 0.00 N ATOM 386 CA MET A 25 -5.287 -21.461 -6.537 1.00 0.00 C ATOM 387 C MET A 25 -5.404 -20.156 -7.358 1.00 0.00 C ATOM 388 O MET A 25 -4.490 -19.820 -8.118 1.00 0.00 O ATOM 389 CB MET A 25 -5.871 -22.649 -7.350 1.00 0.00 C ATOM 390 CG MET A 25 -5.175 -22.955 -8.694 1.00 0.00 C ATOM 391 SD MET A 25 -3.723 -24.036 -8.556 1.00 0.00 S ATOM 392 CE MET A 25 -2.514 -23.106 -7.609 1.00 0.00 C ATOM 0 H MET A 25 -6.980 -21.278 -5.304 1.00 0.00 H new ATOM 0 HA MET A 25 -4.230 -21.639 -6.341 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.829 -23.544 -6.729 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.924 -22.447 -7.546 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.897 -23.420 -9.366 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.871 -22.015 -9.154 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.515 -23.306 -7.997 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.729 -22.041 -7.692 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.563 -23.406 -6.562 1.00 0.00 H new ATOM 402 N ALA A 26 -6.522 -19.421 -7.181 1.00 0.00 N ATOM 403 CA ALA A 26 -6.891 -18.251 -8.033 1.00 0.00 C ATOM 404 C ALA A 26 -5.833 -17.131 -8.022 1.00 0.00 C ATOM 405 O ALA A 26 -5.678 -16.401 -9.005 1.00 0.00 O ATOM 406 CB ALA A 26 -8.255 -17.690 -7.593 1.00 0.00 C ATOM 0 H ALA A 26 -7.201 -19.615 -6.445 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.947 -18.617 -9.058 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.517 -16.837 -8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.017 -18.463 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.199 -17.372 -6.552 1.00 0.00 H new ATOM 412 N TRP A 27 -5.101 -17.029 -6.908 1.00 0.00 N ATOM 413 CA TRP A 27 -4.118 -15.960 -6.669 1.00 0.00 C ATOM 414 C TRP A 27 -2.681 -16.386 -7.009 1.00 0.00 C ATOM 415 O TRP A 27 -1.719 -15.694 -6.655 1.00 0.00 O ATOM 416 CB TRP A 27 -4.229 -15.541 -5.202 1.00 0.00 C ATOM 417 CG TRP A 27 -5.541 -14.879 -4.878 1.00 0.00 C ATOM 418 CD1 TRP A 27 -6.667 -15.472 -4.390 1.00 0.00 C ATOM 419 CD2 TRP A 27 -5.851 -13.487 -5.033 1.00 0.00 C ATOM 420 NE1 TRP A 27 -7.648 -14.541 -4.223 1.00 0.00 N ATOM 421 CE2 TRP A 27 -7.178 -13.314 -4.621 1.00 0.00 C ATOM 422 CE3 TRP A 27 -5.131 -12.378 -5.493 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -7.799 -12.071 -4.630 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -5.746 -11.146 -5.503 1.00 0.00 C ATOM 425 CH2 TRP A 27 -7.073 -11.002 -5.083 1.00 0.00 C ATOM 0 H TRP A 27 -5.173 -17.692 -6.136 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.341 -15.122 -7.330 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.105 -16.419 -4.569 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.414 -14.858 -4.962 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.767 -16.524 -4.168 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.583 -14.726 -3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.112 -12.487 -5.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -8.818 -11.952 -4.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.197 -10.279 -5.840 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -7.535 -10.026 -5.117 1.00 0.00 H new ATOM 436 N TRP A 28 -2.551 -17.506 -7.720 1.00 0.00 N ATOM 437 CA TRP A 28 -1.259 -18.061 -8.142 1.00 0.00 C ATOM 438 C TRP A 28 -1.149 -17.966 -9.673 1.00 0.00 C ATOM 439 O TRP A 28 -2.161 -18.047 -10.381 1.00 0.00 O ATOM 440 CB TRP A 28 -1.135 -19.539 -7.687 1.00 0.00 C ATOM 441 CG TRP A 28 -1.259 -19.779 -6.184 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.294 -19.419 -5.357 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.334 -20.497 -5.350 1.00 0.00 C ATOM 444 NE1 TRP A 28 -2.048 -19.839 -4.078 1.00 0.00 N ATOM 445 CE2 TRP A 28 -0.862 -20.512 -4.049 1.00 0.00 C ATOM 446 CE3 TRP A 28 0.890 -21.117 -5.581 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -0.210 -21.134 -2.987 1.00 0.00 C ATOM 448 CZ3 TRP A 28 1.537 -21.733 -4.530 1.00 0.00 C ATOM 449 CH2 TRP A 28 0.984 -21.740 -3.246 1.00 0.00 C ATOM 0 H TRP A 28 -3.349 -18.063 -8.025 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.451 -17.492 -7.682 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.903 -20.122 -8.195 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.171 -19.923 -8.020 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.176 -18.881 -5.671 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.655 -19.675 -3.275 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.327 -21.116 -6.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.635 -21.136 -1.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.487 -22.218 -4.702 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.512 -22.235 -2.444 1.00 0.00 H new ATOM 460 N ALA A 29 0.081 -17.773 -10.164 1.00 0.00 N ATOM 461 CA ALA A 29 0.385 -17.755 -11.604 1.00 0.00 C ATOM 462 C ALA A 29 0.303 -19.172 -12.189 1.00 0.00 C ATOM 463 O ALA A 29 0.535 -20.150 -11.474 1.00 0.00 O ATOM 464 CB ALA A 29 1.780 -17.149 -11.853 1.00 0.00 C ATOM 0 H ALA A 29 0.899 -17.624 -9.573 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.356 -17.132 -12.105 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.989 -17.143 -12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.806 -16.128 -11.473 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.533 -17.747 -11.340 1.00 0.00 H new ATOM 470 N ASP A 30 -0.003 -19.272 -13.494 1.00 0.00 N ATOM 471 CA ASP A 30 -0.136 -20.570 -14.202 1.00 0.00 C ATOM 472 C ASP A 30 1.202 -21.359 -14.208 1.00 0.00 C ATOM 473 O ASP A 30 1.206 -22.595 -14.226 1.00 0.00 O ATOM 474 CB ASP A 30 -0.642 -20.328 -15.653 1.00 0.00 C ATOM 475 CG ASP A 30 -0.909 -21.627 -16.447 1.00 0.00 C ATOM 476 OD1 ASP A 30 -2.029 -22.177 -16.363 1.00 0.00 O ATOM 477 OD2 ASP A 30 0.005 -22.105 -17.157 1.00 0.00 O ATOM 0 H ASP A 30 -0.166 -18.462 -14.092 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.865 -21.178 -13.666 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.560 -19.742 -15.614 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.095 -19.731 -16.190 1.00 0.00 H new ATOM 482 N ASP A 31 2.323 -20.619 -14.146 1.00 0.00 N ATOM 483 CA ASP A 31 3.691 -21.177 -14.213 1.00 0.00 C ATOM 484 C ASP A 31 4.339 -21.264 -12.796 1.00 0.00 C ATOM 485 O ASP A 31 5.535 -21.560 -12.667 1.00 0.00 O ATOM 486 CB ASP A 31 4.522 -20.278 -15.178 1.00 0.00 C ATOM 487 CG ASP A 31 5.888 -20.863 -15.566 1.00 0.00 C ATOM 488 OD1 ASP A 31 5.921 -21.877 -16.298 1.00 0.00 O ATOM 489 OD2 ASP A 31 6.934 -20.322 -15.153 1.00 0.00 O ATOM 0 H ASP A 31 2.307 -19.604 -14.047 1.00 0.00 H new ATOM 0 HA ASP A 31 3.664 -22.198 -14.593 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.943 -20.106 -16.085 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.676 -19.306 -14.709 1.00 0.00 H new ATOM 494 N CYS A 32 3.511 -21.081 -11.736 1.00 0.00 N ATOM 495 CA CYS A 32 3.988 -20.910 -10.339 1.00 0.00 C ATOM 496 C CYS A 32 4.805 -22.106 -9.818 1.00 0.00 C ATOM 497 O CYS A 32 4.336 -23.235 -9.822 1.00 0.00 O ATOM 498 CB CYS A 32 2.817 -20.664 -9.373 1.00 0.00 C ATOM 499 SG CYS A 32 3.339 -20.422 -7.657 1.00 0.00 S ATOM 0 H CYS A 32 2.495 -21.048 -11.825 1.00 0.00 H new ATOM 0 HA CYS A 32 4.644 -20.040 -10.371 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.262 -19.786 -9.703 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.132 -21.511 -9.421 1.00 0.00 H new ATOM 0 HG CYS A 32 4.365 -21.179 -7.405 1.00 0.00 H new ATOM 505 N GLN A 33 6.016 -21.822 -9.331 1.00 0.00 N ATOM 506 CA GLN A 33 6.906 -22.824 -8.732 1.00 0.00 C ATOM 507 C GLN A 33 6.487 -23.079 -7.273 1.00 0.00 C ATOM 508 O GLN A 33 5.947 -22.183 -6.613 1.00 0.00 O ATOM 509 CB GLN A 33 8.366 -22.317 -8.805 1.00 0.00 C ATOM 510 CG GLN A 33 8.830 -21.963 -10.229 1.00 0.00 C ATOM 511 CD GLN A 33 8.955 -23.167 -11.163 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.990 -23.829 -11.212 1.00 0.00 O ATOM 513 NE2 GLN A 33 7.912 -23.436 -11.931 1.00 0.00 N ATOM 0 H GLN A 33 6.411 -20.882 -9.341 1.00 0.00 H new ATOM 0 HA GLN A 33 6.834 -23.763 -9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.467 -21.436 -8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.027 -23.082 -8.397 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.126 -21.252 -10.662 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.796 -21.461 -10.170 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.069 -22.866 -11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.951 -24.214 -12.590 1.00 0.00 H new ATOM 522 N TYR A 34 6.731 -24.300 -6.786 1.00 0.00 N ATOM 523 CA TYR A 34 6.380 -24.709 -5.421 1.00 0.00 C ATOM 524 C TYR A 34 7.421 -25.704 -4.908 1.00 0.00 C ATOM 525 O TYR A 34 7.546 -26.815 -5.441 1.00 0.00 O ATOM 526 CB TYR A 34 4.954 -25.317 -5.370 1.00 0.00 C ATOM 527 CG TYR A 34 4.412 -25.568 -3.953 1.00 0.00 C ATOM 528 CD1 TYR A 34 3.898 -24.516 -3.188 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.417 -26.846 -3.385 1.00 0.00 C ATOM 530 CE1 TYR A 34 3.413 -24.728 -1.915 1.00 0.00 C ATOM 531 CE2 TYR A 34 3.930 -27.062 -2.109 1.00 0.00 C ATOM 532 CZ TYR A 34 3.430 -26.003 -1.379 1.00 0.00 C ATOM 533 OH TYR A 34 2.935 -26.219 -0.109 1.00 0.00 O ATOM 0 H TYR A 34 7.180 -25.037 -7.330 1.00 0.00 H new ATOM 0 HA TYR A 34 6.379 -23.831 -4.775 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.270 -24.648 -5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.956 -26.261 -5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.881 -23.519 -3.602 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.808 -27.678 -3.952 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.022 -23.902 -1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.941 -28.055 -1.685 1.00 0.00 H new ATOM 0 HH TYR A 34 1.959 -26.304 -0.148 1.00 0.00 H new ATOM 543 N TYR A 35 8.190 -25.272 -3.897 1.00 0.00 N ATOM 544 CA TYR A 35 9.248 -26.070 -3.274 1.00 0.00 C ATOM 545 C TYR A 35 8.911 -26.402 -1.818 1.00 0.00 C ATOM 546 O TYR A 35 8.206 -25.656 -1.129 1.00 0.00 O ATOM 547 CB TYR A 35 10.604 -25.319 -3.316 1.00 0.00 C ATOM 548 CG TYR A 35 11.147 -25.038 -4.726 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.575 -24.061 -5.542 1.00 0.00 C ATOM 550 CD2 TYR A 35 12.241 -25.741 -5.227 1.00 0.00 C ATOM 551 CE1 TYR A 35 11.073 -23.803 -6.799 1.00 0.00 C ATOM 552 CE2 TYR A 35 12.739 -25.487 -6.482 1.00 0.00 C ATOM 553 CZ TYR A 35 12.155 -24.515 -7.267 1.00 0.00 C ATOM 554 OH TYR A 35 12.656 -24.245 -8.524 1.00 0.00 O ATOM 0 H TYR A 35 8.090 -24.344 -3.486 1.00 0.00 H new ATOM 0 HA TYR A 35 9.326 -26.997 -3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.494 -24.371 -2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.343 -25.903 -2.768 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.727 -23.498 -5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.707 -26.501 -4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.616 -23.044 -7.417 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.585 -26.047 -6.853 1.00 0.00 H new ATOM 0 HH TYR A 35 13.420 -24.832 -8.705 1.00 0.00 H new ATOM 564 N ALA A 36 9.434 -27.546 -1.391 1.00 0.00 N ATOM 565 CA ALA A 36 9.534 -27.948 0.012 1.00 0.00 C ATOM 566 C ALA A 36 10.959 -27.653 0.497 1.00 0.00 C ATOM 567 O ALA A 36 11.874 -27.508 -0.328 1.00 0.00 O ATOM 568 CB ALA A 36 9.207 -29.446 0.145 1.00 0.00 C ATOM 0 H ALA A 36 9.813 -28.244 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 36 8.823 -27.392 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.282 -29.743 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.194 -29.630 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.913 -30.027 -0.449 1.00 0.00 H new ATOM 574 N PHE A 37 11.139 -27.547 1.822 1.00 0.00 N ATOM 575 CA PHE A 37 12.476 -27.410 2.437 1.00 0.00 C ATOM 576 C PHE A 37 13.373 -28.631 2.059 1.00 0.00 C ATOM 577 O PHE A 37 12.885 -29.762 2.078 1.00 0.00 O ATOM 578 CB PHE A 37 12.340 -27.278 3.984 1.00 0.00 C ATOM 579 CG PHE A 37 13.670 -27.276 4.753 1.00 0.00 C ATOM 580 CD1 PHE A 37 14.400 -26.102 4.924 1.00 0.00 C ATOM 581 CD2 PHE A 37 14.197 -28.458 5.286 1.00 0.00 C ATOM 582 CE1 PHE A 37 15.602 -26.105 5.605 1.00 0.00 C ATOM 583 CE2 PHE A 37 15.399 -28.459 5.963 1.00 0.00 C ATOM 584 CZ PHE A 37 16.102 -27.283 6.123 1.00 0.00 C ATOM 0 H PHE A 37 10.373 -27.553 2.495 1.00 0.00 H new ATOM 0 HA PHE A 37 12.953 -26.507 2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 37 11.805 -26.355 4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.726 -28.100 4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 37 14.021 -25.176 4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 37 13.654 -29.384 5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 37 16.152 -25.184 5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 37 15.790 -29.381 6.368 1.00 0.00 H new ATOM 0 HZ PHE A 37 17.043 -27.284 6.653 1.00 0.00 H new ATOM 594 N PRO A 38 14.691 -28.443 1.692 1.00 0.00 N ATOM 595 CA PRO A 38 15.339 -27.121 1.454 1.00 0.00 C ATOM 596 C PRO A 38 14.894 -26.473 0.120 1.00 0.00 C ATOM 597 O PRO A 38 14.380 -25.347 0.107 1.00 0.00 O ATOM 598 CB PRO A 38 16.865 -27.454 1.453 1.00 0.00 C ATOM 599 CG PRO A 38 16.968 -28.868 1.951 1.00 0.00 C ATOM 600 CD PRO A 38 15.676 -29.539 1.558 1.00 0.00 C ATOM 0 HA PRO A 38 15.064 -26.387 2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.287 -27.359 0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.416 -26.770 2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.823 -29.377 1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.108 -28.892 3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.714 -29.928 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.440 -30.379 2.212 1.00 0.00 H new ATOM 608 N ALA A 39 15.080 -27.211 -0.990 1.00 0.00 N ATOM 609 CA ALA A 39 14.691 -26.761 -2.340 1.00 0.00 C ATOM 610 C ALA A 39 14.283 -27.970 -3.196 1.00 0.00 C ATOM 611 O ALA A 39 14.878 -28.256 -4.245 1.00 0.00 O ATOM 612 CB ALA A 39 15.827 -25.951 -2.996 1.00 0.00 C ATOM 0 H ALA A 39 15.505 -28.138 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 39 13.830 -26.097 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.517 -25.630 -3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.050 -25.076 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.718 -26.574 -3.077 1.00 0.00 H new ATOM 618 N THR A 40 13.266 -28.697 -2.718 1.00 0.00 N ATOM 619 CA THR A 40 12.691 -29.841 -3.437 1.00 0.00 C ATOM 620 C THR A 40 11.462 -29.378 -4.233 1.00 0.00 C ATOM 621 O THR A 40 10.406 -29.123 -3.645 1.00 0.00 O ATOM 622 CB THR A 40 12.294 -30.981 -2.445 1.00 0.00 C ATOM 623 OG1 THR A 40 13.427 -31.337 -1.637 1.00 0.00 O ATOM 624 CG2 THR A 40 11.775 -32.231 -3.181 1.00 0.00 C ATOM 0 H THR A 40 12.818 -28.509 -1.821 1.00 0.00 H new ATOM 0 HA THR A 40 13.440 -30.238 -4.122 1.00 0.00 H new ATOM 0 HB THR A 40 11.487 -30.604 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.174 -32.051 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.511 -32.998 -2.453 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.895 -31.969 -3.768 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.552 -32.612 -3.844 1.00 0.00 H new ATOM 632 N LEU A 41 11.619 -29.233 -5.559 1.00 0.00 N ATOM 633 CA LEU A 41 10.543 -28.766 -6.444 1.00 0.00 C ATOM 634 C LEU A 41 9.433 -29.837 -6.499 1.00 0.00 C ATOM 635 O LEU A 41 9.598 -30.886 -7.130 1.00 0.00 O ATOM 636 CB LEU A 41 11.116 -28.415 -7.862 1.00 0.00 C ATOM 637 CG LEU A 41 10.259 -27.445 -8.763 1.00 0.00 C ATOM 638 CD1 LEU A 41 11.043 -26.959 -9.998 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.931 -28.077 -9.207 1.00 0.00 C ATOM 0 H LEU A 41 12.493 -29.436 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 41 10.103 -27.849 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.102 -27.969 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.259 -29.347 -8.409 1.00 0.00 H new ATOM 0 HG LEU A 41 10.032 -26.584 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.414 -26.294 -10.590 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.935 -26.423 -9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.335 -27.817 -10.604 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.379 -27.368 -9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.132 -28.980 -9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.338 -28.332 -8.329 1.00 0.00 H new ATOM 651 N LEU A 42 8.325 -29.563 -5.792 1.00 0.00 N ATOM 652 CA LEU A 42 7.149 -30.438 -5.768 1.00 0.00 C ATOM 653 C LEU A 42 6.272 -30.181 -7.005 1.00 0.00 C ATOM 654 O LEU A 42 5.838 -31.120 -7.678 1.00 0.00 O ATOM 655 CB LEU A 42 6.319 -30.199 -4.478 1.00 0.00 C ATOM 656 CG LEU A 42 7.083 -30.321 -3.120 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.124 -30.138 -1.927 1.00 0.00 C ATOM 658 CD2 LEU A 42 7.871 -31.649 -3.013 1.00 0.00 C ATOM 0 H LEU A 42 8.222 -28.725 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 42 7.490 -31.473 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.882 -29.202 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.492 -30.909 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 42 7.816 -29.515 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.682 -30.228 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.662 -29.152 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.350 -30.904 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.386 -31.690 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.181 -32.489 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.602 -31.704 -3.820 1.00 0.00 H new ATOM 670 N ALA A 43 6.041 -28.889 -7.306 1.00 0.00 N ATOM 671 CA ALA A 43 5.088 -28.466 -8.353 1.00 0.00 C ATOM 672 C ALA A 43 5.608 -27.222 -9.104 1.00 0.00 C ATOM 673 O ALA A 43 5.773 -26.167 -8.505 1.00 0.00 O ATOM 674 CB ALA A 43 3.735 -28.193 -7.694 1.00 0.00 C ATOM 0 H ALA A 43 6.506 -28.113 -6.835 1.00 0.00 H new ATOM 0 HA ALA A 43 4.978 -29.258 -9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.018 -27.879 -8.452 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.377 -29.101 -7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.845 -27.404 -6.950 1.00 0.00 H new ATOM 680 N GLY A 44 5.860 -27.366 -10.424 1.00 0.00 N ATOM 681 CA GLY A 44 6.501 -26.312 -11.238 1.00 0.00 C ATOM 682 C GLY A 44 5.523 -25.540 -12.112 1.00 0.00 C ATOM 683 O GLY A 44 5.878 -25.100 -13.208 1.00 0.00 O ATOM 0 H GLY A 44 5.627 -28.208 -10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.013 -25.614 -10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.262 -26.766 -11.872 1.00 0.00 H new ATOM 687 N ASN A 45 4.332 -25.313 -11.558 1.00 0.00 N ATOM 688 CA ASN A 45 3.147 -24.743 -12.249 1.00 0.00 C ATOM 689 C ASN A 45 1.915 -24.907 -11.347 1.00 0.00 C ATOM 690 O ASN A 45 1.875 -25.814 -10.505 1.00 0.00 O ATOM 691 CB ASN A 45 2.862 -25.362 -13.649 1.00 0.00 C ATOM 692 CG ASN A 45 2.570 -26.861 -13.615 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.430 -27.282 -13.438 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.597 -27.671 -13.812 1.00 0.00 N ATOM 0 H ASN A 45 4.146 -25.525 -10.578 1.00 0.00 H new ATOM 0 HA ASN A 45 3.369 -23.691 -12.431 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.013 -24.846 -14.097 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.721 -25.184 -14.296 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.456 -28.681 -13.820 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.530 -27.285 -13.956 1.00 0.00 H new ATOM 701 N ALA A 46 0.902 -24.043 -11.569 1.00 0.00 N ATOM 702 CA ALA A 46 -0.315 -23.967 -10.729 1.00 0.00 C ATOM 703 C ALA A 46 -1.094 -25.300 -10.681 1.00 0.00 C ATOM 704 O ALA A 46 -1.627 -25.664 -9.638 1.00 0.00 O ATOM 705 CB ALA A 46 -1.229 -22.836 -11.224 1.00 0.00 C ATOM 0 H ALA A 46 0.904 -23.375 -12.340 1.00 0.00 H new ATOM 0 HA ALA A 46 0.014 -23.756 -9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.121 -22.789 -10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.696 -21.887 -11.168 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.519 -23.028 -12.257 1.00 0.00 H new ATOM 711 N ALA A 47 -1.116 -26.027 -11.812 1.00 0.00 N ATOM 712 CA ALA A 47 -1.932 -27.253 -11.969 1.00 0.00 C ATOM 713 C ALA A 47 -1.554 -28.335 -10.942 1.00 0.00 C ATOM 714 O ALA A 47 -2.425 -28.980 -10.347 1.00 0.00 O ATOM 715 CB ALA A 47 -1.789 -27.803 -13.391 1.00 0.00 C ATOM 0 H ALA A 47 -0.573 -25.786 -12.641 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.971 -26.979 -11.788 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.393 -28.704 -13.495 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.128 -27.054 -14.107 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.744 -28.043 -13.585 1.00 0.00 H new ATOM 721 N GLU A 48 -0.239 -28.510 -10.744 1.00 0.00 N ATOM 722 CA GLU A 48 0.306 -29.521 -9.821 1.00 0.00 C ATOM 723 C GLU A 48 0.159 -29.065 -8.352 1.00 0.00 C ATOM 724 O GLU A 48 -0.029 -29.890 -7.450 1.00 0.00 O ATOM 725 CB GLU A 48 1.785 -29.808 -10.171 1.00 0.00 C ATOM 726 CG GLU A 48 2.053 -30.087 -11.661 1.00 0.00 C ATOM 727 CD GLU A 48 3.506 -30.505 -11.928 1.00 0.00 C ATOM 728 OE1 GLU A 48 4.403 -29.645 -11.830 1.00 0.00 O ATOM 729 OE2 GLU A 48 3.761 -31.694 -12.215 1.00 0.00 O ATOM 0 H GLU A 48 0.476 -27.957 -11.217 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.263 -30.443 -9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.389 -28.955 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.122 -30.666 -9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.382 -30.874 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.822 -29.194 -12.242 1.00 0.00 H new ATOM 736 N ILE A 49 0.246 -27.734 -8.137 1.00 0.00 N ATOM 737 CA ILE A 49 0.049 -27.108 -6.809 1.00 0.00 C ATOM 738 C ILE A 49 -1.396 -27.345 -6.324 1.00 0.00 C ATOM 739 O ILE A 49 -1.622 -27.680 -5.152 1.00 0.00 O ATOM 740 CB ILE A 49 0.341 -25.557 -6.863 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.800 -25.285 -7.326 1.00 0.00 C ATOM 742 CG2 ILE A 49 0.061 -24.868 -5.507 1.00 0.00 C ATOM 743 CD1 ILE A 49 2.158 -23.830 -7.534 1.00 0.00 C ATOM 0 H ILE A 49 0.454 -27.064 -8.877 1.00 0.00 H new ATOM 0 HA ILE A 49 0.749 -27.567 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.342 -25.125 -7.595 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.481 -25.706 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.972 -25.820 -8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.275 -23.802 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.986 -25.008 -5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.696 -25.307 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.197 -23.753 -7.856 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.509 -23.401 -8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.027 -23.286 -6.599 1.00 0.00 H new ATOM 755 N ARG A 50 -2.341 -27.180 -7.264 1.00 0.00 N ATOM 756 CA ARG A 50 -3.787 -27.349 -7.044 1.00 0.00 C ATOM 757 C ARG A 50 -4.095 -28.743 -6.488 1.00 0.00 C ATOM 758 O ARG A 50 -4.575 -28.878 -5.359 1.00 0.00 O ATOM 759 CB ARG A 50 -4.503 -27.172 -8.416 1.00 0.00 C ATOM 760 CG ARG A 50 -6.026 -27.427 -8.433 1.00 0.00 C ATOM 761 CD ARG A 50 -6.592 -27.401 -9.861 1.00 0.00 C ATOM 762 NE ARG A 50 -8.036 -27.706 -9.905 1.00 0.00 N ATOM 763 CZ ARG A 50 -8.782 -27.792 -11.021 1.00 0.00 C ATOM 764 NH1 ARG A 50 -8.243 -27.601 -12.224 1.00 0.00 N ATOM 765 NH2 ARG A 50 -10.073 -28.080 -10.923 1.00 0.00 N ATOM 0 H ARG A 50 -2.114 -26.918 -8.223 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.135 -26.611 -6.321 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.323 -26.156 -8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.036 -27.845 -9.135 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.238 -28.393 -7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.528 -26.671 -7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.419 -26.418 -10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.053 -28.123 -10.475 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.507 -27.865 -9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.250 -27.386 -12.309 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.824 -27.670 -13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.493 -28.234 -10.006 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.646 -28.147 -11.764 1.00 0.00 H new ATOM 779 N VAL A 51 -3.693 -29.759 -7.265 1.00 0.00 N ATOM 780 CA VAL A 51 -4.101 -31.158 -7.047 1.00 0.00 C ATOM 781 C VAL A 51 -3.448 -31.784 -5.805 1.00 0.00 C ATOM 782 O VAL A 51 -4.080 -32.590 -5.112 1.00 0.00 O ATOM 783 CB VAL A 51 -3.831 -32.034 -8.323 1.00 0.00 C ATOM 784 CG1 VAL A 51 -4.650 -31.505 -9.526 1.00 0.00 C ATOM 785 CG2 VAL A 51 -2.323 -32.119 -8.670 1.00 0.00 C ATOM 0 H VAL A 51 -3.073 -29.635 -8.066 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.175 -31.139 -6.860 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.158 -33.049 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.451 -32.123 -10.401 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.713 -31.544 -9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.363 -30.475 -9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.188 -32.735 -9.559 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.936 -31.118 -8.860 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.782 -32.564 -7.835 1.00 0.00 H new ATOM 795 N ARG A 52 -2.189 -31.410 -5.531 1.00 0.00 N ATOM 796 CA ARG A 52 -1.441 -31.914 -4.366 1.00 0.00 C ATOM 797 C ARG A 52 -1.997 -31.299 -3.065 1.00 0.00 C ATOM 798 O ARG A 52 -2.024 -31.953 -2.016 1.00 0.00 O ATOM 799 CB ARG A 52 0.068 -31.615 -4.536 1.00 0.00 C ATOM 800 CG ARG A 52 0.972 -32.199 -3.423 1.00 0.00 C ATOM 801 CD ARG A 52 2.467 -31.910 -3.649 1.00 0.00 C ATOM 802 NE ARG A 52 3.322 -32.654 -2.702 1.00 0.00 N ATOM 803 CZ ARG A 52 4.459 -33.306 -3.019 1.00 0.00 C ATOM 804 NH1 ARG A 52 4.898 -33.346 -4.276 1.00 0.00 N ATOM 805 NH2 ARG A 52 5.139 -33.930 -2.067 1.00 0.00 N ATOM 0 H ARG A 52 -1.662 -30.753 -6.106 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.565 -32.995 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.397 -32.010 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.209 -30.535 -4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.669 -31.785 -2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.820 -33.277 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.738 -32.178 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.650 -30.841 -3.541 1.00 0.00 H new ATOM 0 HE ARG A 52 3.028 -32.677 -1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.372 -32.879 -5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.760 -33.843 -4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.801 -33.914 -1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.000 -34.426 -2.297 1.00 0.00 H new ATOM 819 N HIS A 53 -2.453 -30.030 -3.147 1.00 0.00 N ATOM 820 CA HIS A 53 -3.090 -29.343 -2.005 1.00 0.00 C ATOM 821 C HIS A 53 -4.514 -29.859 -1.760 1.00 0.00 C ATOM 822 O HIS A 53 -4.983 -29.778 -0.634 1.00 0.00 O ATOM 823 CB HIS A 53 -3.075 -27.804 -2.172 1.00 0.00 C ATOM 824 CG HIS A 53 -1.755 -27.158 -1.839 1.00 0.00 C ATOM 825 ND1 HIS A 53 -1.097 -26.303 -2.691 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.010 -27.202 -0.704 1.00 0.00 C ATOM 827 CE1 HIS A 53 -0.008 -25.847 -2.101 1.00 0.00 C ATOM 828 NE2 HIS A 53 0.070 -26.380 -0.899 1.00 0.00 N ATOM 0 H HIS A 53 -2.391 -29.462 -3.992 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.494 -29.579 -1.123 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.337 -27.559 -3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.848 -27.373 -1.535 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.403 -26.059 -3.633 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.227 -27.776 0.185 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.700 -25.154 -2.531 1.00 0.00 H new ATOM 837 N ILE A 54 -5.203 -30.368 -2.805 1.00 0.00 N ATOM 838 CA ILE A 54 -6.527 -31.015 -2.628 1.00 0.00 C ATOM 839 C ILE A 54 -6.410 -32.180 -1.626 1.00 0.00 C ATOM 840 O ILE A 54 -7.236 -32.308 -0.732 1.00 0.00 O ATOM 841 CB ILE A 54 -7.122 -31.526 -3.992 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.367 -30.331 -4.959 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.429 -32.334 -3.783 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.848 -30.711 -6.343 1.00 0.00 C ATOM 0 H ILE A 54 -4.872 -30.346 -3.769 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.214 -30.264 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.390 -32.198 -4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.101 -29.663 -4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.439 -29.767 -5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.808 -32.669 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.225 -33.200 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.174 -31.702 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.989 -29.810 -6.939 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.108 -31.351 -6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.794 -31.246 -6.265 1.00 0.00 H new ATOM 856 N GLU A 55 -5.327 -32.967 -1.769 1.00 0.00 N ATOM 857 CA GLU A 55 -5.019 -34.112 -0.880 1.00 0.00 C ATOM 858 C GLU A 55 -4.824 -33.647 0.581 1.00 0.00 C ATOM 859 O GLU A 55 -5.242 -34.331 1.522 1.00 0.00 O ATOM 860 CB GLU A 55 -3.754 -34.843 -1.387 1.00 0.00 C ATOM 861 CG GLU A 55 -3.854 -35.362 -2.832 1.00 0.00 C ATOM 862 CD GLU A 55 -2.586 -36.095 -3.288 1.00 0.00 C ATOM 863 OE1 GLU A 55 -2.450 -37.305 -2.989 1.00 0.00 O ATOM 864 OE2 GLU A 55 -1.717 -35.470 -3.941 1.00 0.00 O ATOM 0 H GLU A 55 -4.636 -32.829 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.863 -34.801 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.904 -34.164 -1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.546 -35.684 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.707 -36.036 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.045 -34.524 -3.502 1.00 0.00 H new ATOM 871 N ARG A 56 -4.200 -32.461 0.742 1.00 0.00 N ATOM 872 CA ARG A 56 -4.022 -31.802 2.054 1.00 0.00 C ATOM 873 C ARG A 56 -5.397 -31.407 2.640 1.00 0.00 C ATOM 874 O ARG A 56 -5.638 -31.534 3.844 1.00 0.00 O ATOM 875 CB ARG A 56 -3.108 -30.542 1.901 1.00 0.00 C ATOM 876 CG ARG A 56 -2.900 -29.720 3.198 1.00 0.00 C ATOM 877 CD ARG A 56 -2.162 -30.520 4.283 1.00 0.00 C ATOM 878 NE ARG A 56 -2.264 -29.891 5.613 1.00 0.00 N ATOM 879 CZ ARG A 56 -2.437 -30.572 6.752 1.00 0.00 C ATOM 880 NH1 ARG A 56 -2.399 -31.889 6.756 1.00 0.00 N ATOM 881 NH2 ARG A 56 -2.638 -29.927 7.881 1.00 0.00 N ATOM 0 H ARG A 56 -3.805 -31.932 -0.035 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.540 -32.499 2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.134 -30.862 1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.539 -29.890 1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.334 -28.818 2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.869 -29.399 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.572 -31.529 4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.111 -30.615 4.009 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.199 -28.875 5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.237 -32.397 5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.532 -32.400 7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.662 -28.907 7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.770 -30.447 8.749 1.00 0.00 H new ATOM 895 N PHE A 57 -6.289 -30.937 1.749 1.00 0.00 N ATOM 896 CA PHE A 57 -7.642 -30.469 2.102 1.00 0.00 C ATOM 897 C PHE A 57 -8.642 -31.640 2.262 1.00 0.00 C ATOM 898 O PHE A 57 -9.830 -31.406 2.524 1.00 0.00 O ATOM 899 CB PHE A 57 -8.136 -29.441 1.039 1.00 0.00 C ATOM 900 CG PHE A 57 -7.465 -28.050 1.067 1.00 0.00 C ATOM 901 CD1 PHE A 57 -6.113 -27.881 1.377 1.00 0.00 C ATOM 902 CD2 PHE A 57 -8.196 -26.909 0.741 1.00 0.00 C ATOM 903 CE1 PHE A 57 -5.527 -26.631 1.361 1.00 0.00 C ATOM 904 CE2 PHE A 57 -7.612 -25.659 0.733 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.279 -25.523 1.039 1.00 0.00 C ATOM 0 H PHE A 57 -6.088 -30.871 0.751 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.588 -29.977 3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.986 -29.873 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.210 -29.305 1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.516 -28.744 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.242 -27.005 0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.480 -26.522 1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.202 -24.788 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.820 -24.545 1.027 1.00 0.00 H new ATOM 915 N LYS A 58 -8.165 -32.895 2.105 1.00 0.00 N ATOM 916 CA LYS A 58 -8.976 -34.101 2.381 1.00 0.00 C ATOM 917 C LYS A 58 -8.709 -34.640 3.807 1.00 0.00 C ATOM 918 O LYS A 58 -9.491 -35.457 4.310 1.00 0.00 O ATOM 919 CB LYS A 58 -8.710 -35.217 1.331 1.00 0.00 C ATOM 920 CG LYS A 58 -9.008 -34.853 -0.151 1.00 0.00 C ATOM 921 CD LYS A 58 -10.458 -34.331 -0.427 1.00 0.00 C ATOM 922 CE LYS A 58 -10.537 -32.803 -0.631 1.00 0.00 C ATOM 923 NZ LYS A 58 -11.934 -32.327 -0.778 1.00 0.00 N ATOM 0 H LYS A 58 -7.218 -33.099 1.787 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.023 -33.807 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.664 -35.516 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.310 -36.087 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.297 -34.092 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.832 -35.734 -0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.851 -34.828 -1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.101 -34.611 0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.072 -32.301 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.966 -32.527 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.937 -31.296 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.372 -32.785 -1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.474 -32.566 0.078 1.00 0.00 H new ATOM 937 N GLU A 59 -7.596 -34.193 4.448 1.00 0.00 N ATOM 938 CA GLU A 59 -7.260 -34.602 5.832 1.00 0.00 C ATOM 939 C GLU A 59 -8.249 -33.954 6.829 1.00 0.00 C ATOM 940 O GLU A 59 -8.347 -32.727 6.861 1.00 0.00 O ATOM 941 CB GLU A 59 -5.804 -34.200 6.218 1.00 0.00 C ATOM 942 CG GLU A 59 -5.359 -34.715 7.610 1.00 0.00 C ATOM 943 CD GLU A 59 -3.982 -34.189 8.058 1.00 0.00 C ATOM 944 OE1 GLU A 59 -2.944 -34.739 7.611 1.00 0.00 O ATOM 945 OE2 GLU A 59 -3.927 -33.203 8.827 1.00 0.00 O ATOM 0 H GLU A 59 -6.922 -33.553 4.028 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.337 -35.688 5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.119 -34.585 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.720 -33.113 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.106 -34.426 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.333 -35.805 7.592 1.00 0.00 H new ATOM 952 N PRO A 60 -8.990 -34.755 7.672 1.00 0.00 N ATOM 953 CA PRO A 60 -9.963 -34.200 8.660 1.00 0.00 C ATOM 954 C PRO A 60 -9.275 -33.316 9.734 1.00 0.00 C ATOM 955 O PRO A 60 -9.893 -32.407 10.301 1.00 0.00 O ATOM 956 CB PRO A 60 -10.603 -35.470 9.287 1.00 0.00 C ATOM 957 CG PRO A 60 -9.575 -36.547 9.090 1.00 0.00 C ATOM 958 CD PRO A 60 -8.943 -36.247 7.745 1.00 0.00 C ATOM 0 HA PRO A 60 -10.694 -33.538 8.196 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.825 -35.322 10.344 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.543 -35.724 8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.832 -36.533 9.887 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.033 -37.536 9.099 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.921 -36.621 7.688 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.497 -36.708 6.928 1.00 0.00 H new ATOM 966 N ASP A 61 -7.981 -33.595 9.976 1.00 0.00 N ATOM 967 CA ASP A 61 -7.166 -32.901 10.992 1.00 0.00 C ATOM 968 C ASP A 61 -6.531 -31.607 10.443 1.00 0.00 C ATOM 969 O ASP A 61 -5.904 -30.873 11.211 1.00 0.00 O ATOM 970 CB ASP A 61 -6.070 -33.857 11.529 1.00 0.00 C ATOM 971 CG ASP A 61 -6.658 -35.117 12.192 1.00 0.00 C ATOM 972 OD1 ASP A 61 -6.978 -36.092 11.470 1.00 0.00 O ATOM 973 OD2 ASP A 61 -6.828 -35.132 13.434 1.00 0.00 O ATOM 0 H ASP A 61 -7.467 -34.314 9.468 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.828 -32.611 11.808 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.417 -34.154 10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.451 -33.325 12.252 1.00 0.00 H new ATOM 978 N LEU A 62 -6.682 -31.333 9.120 1.00 0.00 N ATOM 979 CA LEU A 62 -6.211 -30.060 8.522 1.00 0.00 C ATOM 980 C LEU A 62 -6.872 -28.857 9.220 1.00 0.00 C ATOM 981 O LEU A 62 -8.093 -28.665 9.139 1.00 0.00 O ATOM 982 CB LEU A 62 -6.481 -29.973 6.986 1.00 0.00 C ATOM 983 CG LEU A 62 -6.329 -28.531 6.351 1.00 0.00 C ATOM 984 CD1 LEU A 62 -4.892 -28.003 6.443 1.00 0.00 C ATOM 985 CD2 LEU A 62 -6.841 -28.469 4.905 1.00 0.00 C ATOM 0 H LEU A 62 -7.121 -31.970 8.456 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.132 -30.035 8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.797 -30.651 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.491 -30.333 6.791 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.961 -27.875 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.839 -27.011 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.592 -27.944 7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.222 -28.678 5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.714 -27.458 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.276 -29.168 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.897 -28.736 4.881 1.00 0.00 H new ATOM 997 N TYR A 63 -6.038 -28.070 9.901 1.00 0.00 N ATOM 998 CA TYR A 63 -6.418 -26.773 10.445 1.00 0.00 C ATOM 999 C TYR A 63 -5.183 -25.865 10.401 1.00 0.00 C ATOM 1000 O TYR A 63 -4.176 -26.160 11.055 1.00 0.00 O ATOM 1001 CB TYR A 63 -6.948 -26.942 11.896 1.00 0.00 C ATOM 1002 CG TYR A 63 -7.472 -25.647 12.526 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -8.770 -25.198 12.265 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -6.669 -24.861 13.363 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -9.244 -24.024 12.812 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -7.144 -23.685 13.908 1.00 0.00 C ATOM 1007 CZ TYR A 63 -8.430 -23.272 13.630 1.00 0.00 C ATOM 1008 OH TYR A 63 -8.902 -22.094 14.172 1.00 0.00 O ATOM 0 H TYR A 63 -5.068 -28.322 10.091 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.219 -26.324 9.858 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.748 -27.682 11.895 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.147 -27.339 12.520 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.414 -25.781 11.623 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.662 -25.181 13.585 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.251 -23.695 12.600 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.511 -23.091 14.550 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.204 -21.686 14.726 1.00 0.00 H new ATOM 1018 N GLY A 64 -5.259 -24.774 9.628 1.00 0.00 N ATOM 1019 CA GLY A 64 -4.167 -23.807 9.529 1.00 0.00 C ATOM 1020 C GLY A 64 -4.515 -22.517 10.241 1.00 0.00 C ATOM 1021 O GLY A 64 -5.303 -21.713 9.725 1.00 0.00 O ATOM 0 H GLY A 64 -6.073 -24.541 9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.261 -24.232 9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.954 -23.601 8.480 1.00 0.00 H new ATOM 1025 N GLU A 65 -3.961 -22.334 11.448 1.00 0.00 N ATOM 1026 CA GLU A 65 -4.097 -21.085 12.202 1.00 0.00 C ATOM 1027 C GLU A 65 -2.856 -20.230 11.964 1.00 0.00 C ATOM 1028 O GLU A 65 -1.795 -20.516 12.514 1.00 0.00 O ATOM 1029 CB GLU A 65 -4.275 -21.369 13.718 1.00 0.00 C ATOM 1030 CG GLU A 65 -4.351 -20.108 14.609 1.00 0.00 C ATOM 1031 CD GLU A 65 -4.607 -20.421 16.097 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -3.636 -20.708 16.830 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -5.773 -20.377 16.542 1.00 0.00 O ATOM 0 H GLU A 65 -3.409 -23.046 11.925 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.984 -20.553 11.859 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.185 -21.952 13.860 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.444 -21.987 14.058 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.418 -19.552 14.518 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.146 -19.460 14.240 1.00 0.00 H new ATOM 1040 N LEU A 66 -2.981 -19.208 11.114 1.00 0.00 N ATOM 1041 CA LEU A 66 -1.930 -18.203 10.936 1.00 0.00 C ATOM 1042 C LEU A 66 -1.959 -17.291 12.172 1.00 0.00 C ATOM 1043 O LEU A 66 -2.955 -16.604 12.412 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.144 -17.425 9.604 1.00 0.00 C ATOM 1045 CG LEU A 66 -0.972 -16.499 9.114 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -1.073 -16.247 7.595 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -0.934 -15.145 9.869 1.00 0.00 C ATOM 0 H LEU A 66 -3.806 -19.054 10.534 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.945 -18.662 10.856 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.351 -18.152 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.037 -16.810 9.712 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.044 -17.027 9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.252 -15.604 7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.016 -17.197 7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.022 -15.762 7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.107 -14.542 9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.872 -14.613 9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.796 -15.327 10.935 1.00 0.00 H new ATOM 1059 N LEU A 67 -0.868 -17.313 12.953 1.00 0.00 N ATOM 1060 CA LEU A 67 -0.750 -16.548 14.212 1.00 0.00 C ATOM 1061 C LEU A 67 0.091 -15.276 13.999 1.00 0.00 C ATOM 1062 O LEU A 67 -0.114 -14.262 14.673 1.00 0.00 O ATOM 1063 CB LEU A 67 -0.210 -17.431 15.411 1.00 0.00 C ATOM 1064 CG LEU A 67 0.990 -18.447 15.213 1.00 0.00 C ATOM 1065 CD1 LEU A 67 0.605 -19.670 14.375 1.00 0.00 C ATOM 1066 CD2 LEU A 67 2.268 -17.789 14.677 1.00 0.00 C ATOM 0 H LEU A 67 -0.038 -17.863 12.732 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.754 -16.238 14.502 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.084 -16.743 16.204 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.055 -18.008 15.786 1.00 0.00 H new ATOM 0 HG LEU A 67 1.219 -18.801 16.218 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.468 -20.328 14.275 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.206 -20.207 14.867 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.279 -19.346 13.387 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.047 -18.544 14.566 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.064 -17.333 13.708 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.603 -17.022 15.375 1.00 0.00 H new ATOM 1078 N THR A 68 1.034 -15.355 13.049 1.00 0.00 N ATOM 1079 CA THR A 68 1.954 -14.256 12.713 1.00 0.00 C ATOM 1080 C THR A 68 2.349 -14.336 11.232 1.00 0.00 C ATOM 1081 O THR A 68 2.667 -15.419 10.736 1.00 0.00 O ATOM 1082 CB THR A 68 3.248 -14.307 13.609 1.00 0.00 C ATOM 1083 OG1 THR A 68 2.892 -14.133 14.995 1.00 0.00 O ATOM 1084 CG2 THR A 68 4.300 -13.243 13.220 1.00 0.00 C ATOM 0 H THR A 68 1.182 -16.192 12.486 1.00 0.00 H new ATOM 0 HA THR A 68 1.439 -13.314 12.903 1.00 0.00 H new ATOM 0 HB THR A 68 3.699 -15.285 13.445 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.701 -14.167 15.547 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.167 -13.332 13.875 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.609 -13.398 12.186 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.867 -12.248 13.324 1.00 0.00 H new ATOM 1092 N ARG A 69 2.291 -13.191 10.528 1.00 0.00 N ATOM 1093 CA ARG A 69 2.834 -13.055 9.168 1.00 0.00 C ATOM 1094 C ARG A 69 3.530 -11.694 9.024 1.00 0.00 C ATOM 1095 O ARG A 69 3.056 -10.680 9.557 1.00 0.00 O ATOM 1096 CB ARG A 69 1.747 -13.250 8.073 1.00 0.00 C ATOM 1097 CG ARG A 69 0.646 -12.173 8.015 1.00 0.00 C ATOM 1098 CD ARG A 69 -0.339 -12.401 6.856 1.00 0.00 C ATOM 1099 NE ARG A 69 -1.318 -11.309 6.739 1.00 0.00 N ATOM 1100 CZ ARG A 69 -1.189 -10.230 5.952 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -0.117 -10.061 5.177 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -2.142 -9.320 5.950 1.00 0.00 N ATOM 0 H ARG A 69 1.866 -12.336 10.887 1.00 0.00 H new ATOM 0 HA ARG A 69 3.565 -13.850 9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.241 -13.289 7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.272 -14.219 8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.098 -12.167 8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.107 -11.191 7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.216 -12.492 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.865 -13.344 7.008 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.165 -11.378 7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.626 -10.760 5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.040 -9.233 4.587 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.964 -9.441 6.542 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.058 -8.494 5.357 1.00 0.00 H new ATOM 1116 N VAL A 70 4.680 -11.693 8.333 1.00 0.00 N ATOM 1117 CA VAL A 70 5.497 -10.491 8.098 1.00 0.00 C ATOM 1118 C VAL A 70 5.664 -10.273 6.585 1.00 0.00 C ATOM 1119 O VAL A 70 6.088 -11.174 5.861 1.00 0.00 O ATOM 1120 CB VAL A 70 6.899 -10.590 8.831 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.713 -10.627 10.364 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.733 -11.807 8.359 1.00 0.00 C ATOM 0 H VAL A 70 5.074 -12.537 7.916 1.00 0.00 H new ATOM 0 HA VAL A 70 4.984 -9.628 8.522 1.00 0.00 H new ATOM 0 HB VAL A 70 7.458 -9.694 8.561 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.688 -10.695 10.847 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.208 -9.718 10.691 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.112 -11.494 10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.683 -11.826 8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.183 -12.726 8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.920 -11.726 7.288 1.00 0.00 H new ATOM 1132 N ILE A 71 5.307 -9.072 6.108 1.00 0.00 N ATOM 1133 CA ILE A 71 5.373 -8.732 4.672 1.00 0.00 C ATOM 1134 C ILE A 71 6.524 -7.748 4.398 1.00 0.00 C ATOM 1135 O ILE A 71 6.732 -6.785 5.148 1.00 0.00 O ATOM 1136 CB ILE A 71 4.000 -8.175 4.123 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.143 -7.771 2.619 1.00 0.00 C ATOM 1138 CG2 ILE A 71 3.454 -7.011 4.986 1.00 0.00 C ATOM 1139 CD1 ILE A 71 2.844 -7.478 1.921 1.00 0.00 C ATOM 0 H ILE A 71 4.967 -8.312 6.697 1.00 0.00 H new ATOM 0 HA ILE A 71 5.574 -9.656 4.130 1.00 0.00 H new ATOM 0 HB ILE A 71 3.262 -8.974 4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.782 -6.891 2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.652 -8.575 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.509 -6.661 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.294 -7.359 6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.174 -6.192 4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.041 -7.207 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.208 -8.363 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.340 -6.652 2.422 1.00 0.00 H new ATOM 1151 N VAL A 72 7.268 -8.031 3.321 1.00 0.00 N ATOM 1152 CA VAL A 72 8.447 -7.272 2.897 1.00 0.00 C ATOM 1153 C VAL A 72 8.463 -7.210 1.349 1.00 0.00 C ATOM 1154 O VAL A 72 8.875 -8.157 0.672 1.00 0.00 O ATOM 1155 CB VAL A 72 9.769 -7.905 3.517 1.00 0.00 C ATOM 1156 CG1 VAL A 72 9.783 -9.458 3.421 1.00 0.00 C ATOM 1157 CG2 VAL A 72 11.046 -7.300 2.891 1.00 0.00 C ATOM 0 H VAL A 72 7.059 -8.816 2.705 1.00 0.00 H new ATOM 0 HA VAL A 72 8.405 -6.249 3.271 1.00 0.00 H new ATOM 0 HB VAL A 72 9.763 -7.647 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.705 -9.841 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.929 -9.864 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.724 -9.758 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.925 -7.760 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.049 -7.488 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.066 -6.225 3.071 1.00 0.00 H new ATOM 1167 N GLY A 73 7.937 -6.098 0.805 1.00 0.00 N ATOM 1168 CA GLY A 73 7.849 -5.890 -0.643 1.00 0.00 C ATOM 1169 C GLY A 73 6.867 -6.851 -1.317 1.00 0.00 C ATOM 1170 O GLY A 73 5.703 -6.938 -0.905 1.00 0.00 O ATOM 0 H GLY A 73 7.564 -5.325 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.541 -4.863 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.837 -6.017 -1.085 1.00 0.00 H new ATOM 1174 N ASN A 74 7.353 -7.600 -2.333 1.00 0.00 N ATOM 1175 CA ASN A 74 6.511 -8.512 -3.143 1.00 0.00 C ATOM 1176 C ASN A 74 6.411 -9.931 -2.529 1.00 0.00 C ATOM 1177 O ASN A 74 5.834 -10.823 -3.147 1.00 0.00 O ATOM 1178 CB ASN A 74 7.031 -8.604 -4.612 1.00 0.00 C ATOM 1179 CG ASN A 74 8.387 -9.319 -4.757 1.00 0.00 C ATOM 1180 OD1 ASN A 74 9.253 -9.230 -3.883 1.00 0.00 O ATOM 1181 ND2 ASN A 74 8.575 -10.048 -5.854 1.00 0.00 N ATOM 0 H ASN A 74 8.334 -7.590 -2.614 1.00 0.00 H new ATOM 0 HA ASN A 74 5.510 -8.082 -3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.290 -9.128 -5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.119 -7.596 -5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.452 -10.551 -5.988 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.842 -10.104 -6.561 1.00 0.00 H new ATOM 1188 N VAL A 75 6.938 -10.122 -1.311 1.00 0.00 N ATOM 1189 CA VAL A 75 7.001 -11.448 -0.660 1.00 0.00 C ATOM 1190 C VAL A 75 6.539 -11.363 0.815 1.00 0.00 C ATOM 1191 O VAL A 75 6.799 -10.366 1.497 1.00 0.00 O ATOM 1192 CB VAL A 75 8.462 -12.050 -0.777 1.00 0.00 C ATOM 1193 CG1 VAL A 75 9.534 -11.085 -0.212 1.00 0.00 C ATOM 1194 CG2 VAL A 75 8.566 -13.439 -0.111 1.00 0.00 C ATOM 0 H VAL A 75 7.332 -9.368 -0.748 1.00 0.00 H new ATOM 0 HA VAL A 75 6.317 -12.121 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 75 8.661 -12.176 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.520 -11.538 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.507 -10.147 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.330 -10.890 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.583 -13.816 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.315 -13.355 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.873 -14.127 -0.595 1.00 0.00 H new ATOM 1204 N VAL A 76 5.823 -12.413 1.290 1.00 0.00 N ATOM 1205 CA VAL A 76 5.347 -12.520 2.687 1.00 0.00 C ATOM 1206 C VAL A 76 5.838 -13.850 3.306 1.00 0.00 C ATOM 1207 O VAL A 76 5.891 -14.874 2.620 1.00 0.00 O ATOM 1208 CB VAL A 76 3.765 -12.456 2.780 1.00 0.00 C ATOM 1209 CG1 VAL A 76 3.276 -12.359 4.253 1.00 0.00 C ATOM 1210 CG2 VAL A 76 3.182 -11.294 1.938 1.00 0.00 C ATOM 0 H VAL A 76 5.560 -13.210 0.711 1.00 0.00 H new ATOM 0 HA VAL A 76 5.754 -11.672 3.238 1.00 0.00 H new ATOM 0 HB VAL A 76 3.394 -13.392 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.187 -12.317 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.616 -13.234 4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.682 -11.458 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.096 -11.287 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.583 -10.347 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.456 -11.429 0.892 1.00 0.00 H new ATOM 1220 N ILE A 77 6.214 -13.801 4.599 1.00 0.00 N ATOM 1221 CA ILE A 77 6.473 -14.985 5.441 1.00 0.00 C ATOM 1222 C ILE A 77 5.216 -15.227 6.288 1.00 0.00 C ATOM 1223 O ILE A 77 4.935 -14.467 7.223 1.00 0.00 O ATOM 1224 CB ILE A 77 7.729 -14.748 6.377 1.00 0.00 C ATOM 1225 CG1 ILE A 77 9.069 -14.804 5.581 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.771 -15.716 7.597 1.00 0.00 C ATOM 1227 CD1 ILE A 77 9.593 -16.202 5.332 1.00 0.00 C ATOM 0 H ILE A 77 6.349 -12.921 5.097 1.00 0.00 H new ATOM 0 HA ILE A 77 6.693 -15.851 4.817 1.00 0.00 H new ATOM 0 HB ILE A 77 7.612 -13.740 6.775 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.928 -14.306 4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.825 -14.238 6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.654 -15.504 8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.876 -15.576 8.203 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.812 -16.746 7.243 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.527 -16.146 4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.770 -16.699 6.286 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.860 -16.769 4.758 1.00 0.00 H new ATOM 1239 N ASP A 78 4.452 -16.257 5.929 1.00 0.00 N ATOM 1240 CA ASP A 78 3.219 -16.634 6.630 1.00 0.00 C ATOM 1241 C ASP A 78 3.501 -17.787 7.575 1.00 0.00 C ATOM 1242 O ASP A 78 3.667 -18.920 7.137 1.00 0.00 O ATOM 1243 CB ASP A 78 2.128 -17.014 5.604 1.00 0.00 C ATOM 1244 CG ASP A 78 1.771 -15.823 4.723 1.00 0.00 C ATOM 1245 OD1 ASP A 78 1.118 -14.898 5.237 1.00 0.00 O ATOM 1246 OD2 ASP A 78 2.188 -15.776 3.543 1.00 0.00 O ATOM 0 H ASP A 78 4.671 -16.861 5.137 1.00 0.00 H new ATOM 0 HA ASP A 78 2.858 -15.789 7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.478 -17.838 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.238 -17.364 6.127 1.00 0.00 H new ATOM 1251 N HIS A 79 3.557 -17.500 8.879 1.00 0.00 N ATOM 1252 CA HIS A 79 3.861 -18.517 9.882 1.00 0.00 C ATOM 1253 C HIS A 79 2.542 -18.995 10.500 1.00 0.00 C ATOM 1254 O HIS A 79 1.909 -18.296 11.307 1.00 0.00 O ATOM 1255 CB HIS A 79 4.830 -17.952 10.956 1.00 0.00 C ATOM 1256 CG HIS A 79 5.370 -18.997 11.904 1.00 0.00 C ATOM 1257 ND1 HIS A 79 5.262 -18.911 13.278 1.00 0.00 N ATOM 1258 CD2 HIS A 79 6.048 -20.150 11.660 1.00 0.00 C ATOM 1259 CE1 HIS A 79 5.842 -19.957 13.833 1.00 0.00 C ATOM 1260 NE2 HIS A 79 6.327 -20.723 12.876 1.00 0.00 N ATOM 0 H HIS A 79 3.395 -16.569 9.262 1.00 0.00 H new ATOM 0 HA HIS A 79 4.365 -19.366 9.420 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.666 -17.463 10.456 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.311 -17.186 11.532 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.317 -20.542 10.690 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.909 -20.153 14.893 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.829 -21.600 13.016 1.00 0.00 H new ATOM 1269 N GLU A 80 2.136 -20.198 10.078 1.00 0.00 N ATOM 1270 CA GLU A 80 0.939 -20.885 10.562 1.00 0.00 C ATOM 1271 C GLU A 80 1.344 -21.969 11.561 1.00 0.00 C ATOM 1272 O GLU A 80 2.518 -22.330 11.654 1.00 0.00 O ATOM 1273 CB GLU A 80 0.181 -21.568 9.388 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.216 -20.657 8.213 1.00 0.00 C ATOM 1275 CD GLU A 80 -0.928 -21.446 7.099 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -2.098 -21.841 7.305 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -0.304 -21.714 6.043 1.00 0.00 O ATOM 0 H GLU A 80 2.645 -20.732 9.373 1.00 0.00 H new ATOM 0 HA GLU A 80 0.290 -20.146 11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.804 -22.374 9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.724 -22.028 9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.871 -19.863 8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.674 -20.177 7.807 1.00 0.00 H new ATOM 1284 N THR A 81 0.367 -22.450 12.324 1.00 0.00 N ATOM 1285 CA THR A 81 0.435 -23.747 12.983 1.00 0.00 C ATOM 1286 C THR A 81 -0.490 -24.700 12.211 1.00 0.00 C ATOM 1287 O THR A 81 -1.726 -24.638 12.319 1.00 0.00 O ATOM 1288 CB THR A 81 0.031 -23.649 14.484 1.00 0.00 C ATOM 1289 OG1 THR A 81 0.930 -22.757 15.162 1.00 0.00 O ATOM 1290 CG2 THR A 81 0.062 -25.014 15.180 1.00 0.00 C ATOM 0 H THR A 81 -0.501 -21.945 12.503 1.00 0.00 H new ATOM 0 HA THR A 81 1.458 -24.122 12.973 1.00 0.00 H new ATOM 0 HB THR A 81 -0.991 -23.273 14.526 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.514 -22.441 15.991 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.227 -24.896 16.224 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.634 -25.691 14.685 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.069 -25.427 15.126 1.00 0.00 H new ATOM 1298 N VAL A 82 0.142 -25.536 11.389 1.00 0.00 N ATOM 1299 CA VAL A 82 -0.514 -26.520 10.532 1.00 0.00 C ATOM 1300 C VAL A 82 -0.760 -27.821 11.316 1.00 0.00 C ATOM 1301 O VAL A 82 0.158 -28.602 11.550 1.00 0.00 O ATOM 1302 CB VAL A 82 0.376 -26.782 9.257 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -0.131 -27.985 8.427 1.00 0.00 C ATOM 1304 CG2 VAL A 82 0.473 -25.498 8.394 1.00 0.00 C ATOM 0 H VAL A 82 1.158 -25.547 11.299 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.481 -26.137 10.206 1.00 0.00 H new ATOM 0 HB VAL A 82 1.377 -27.044 9.600 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.514 -28.126 7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.114 -28.885 9.042 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.151 -27.793 8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.091 -25.694 7.518 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.525 -25.198 8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.922 -24.697 8.982 1.00 0.00 H new ATOM 1314 N THR A 83 -2.012 -28.029 11.726 1.00 0.00 N ATOM 1315 CA THR A 83 -2.431 -29.209 12.493 1.00 0.00 C ATOM 1316 C THR A 83 -2.425 -30.479 11.615 1.00 0.00 C ATOM 1317 O THR A 83 -3.018 -30.494 10.536 1.00 0.00 O ATOM 1318 CB THR A 83 -3.843 -28.980 13.109 1.00 0.00 C ATOM 1319 OG1 THR A 83 -3.835 -27.770 13.893 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.301 -30.165 13.984 1.00 0.00 C ATOM 0 H THR A 83 -2.773 -27.378 11.534 1.00 0.00 H new ATOM 0 HA THR A 83 -1.714 -29.358 13.301 1.00 0.00 H new ATOM 0 HB THR A 83 -4.551 -28.892 12.285 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.724 -27.625 14.279 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.291 -29.956 14.390 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.341 -31.070 13.378 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.596 -30.307 14.803 1.00 0.00 H new ATOM 1328 N ARG A 84 -1.730 -31.524 12.099 1.00 0.00 N ATOM 1329 CA ARG A 84 -1.642 -32.846 11.454 1.00 0.00 C ATOM 1330 C ARG A 84 -2.276 -33.860 12.424 1.00 0.00 C ATOM 1331 O ARG A 84 -3.029 -33.468 13.337 1.00 0.00 O ATOM 1332 CB ARG A 84 -0.144 -33.206 11.165 1.00 0.00 C ATOM 1333 CG ARG A 84 0.681 -32.118 10.435 1.00 0.00 C ATOM 1334 CD ARG A 84 0.204 -31.848 9.004 1.00 0.00 C ATOM 1335 NE ARG A 84 0.342 -33.029 8.130 1.00 0.00 N ATOM 1336 CZ ARG A 84 0.617 -32.991 6.816 1.00 0.00 C ATOM 1337 NH1 ARG A 84 0.780 -31.825 6.182 1.00 0.00 N ATOM 1338 NH2 ARG A 84 0.722 -34.118 6.137 1.00 0.00 N ATOM 0 H ARG A 84 -1.202 -31.471 12.970 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.166 -32.856 10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.345 -33.432 12.113 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.118 -34.117 10.568 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.632 -31.191 11.007 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.727 -32.422 10.410 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.840 -31.536 9.025 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.776 -31.020 8.584 1.00 0.00 H new ATOM 0 HE ARG A 84 0.219 -33.947 8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.696 -30.948 6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.989 -31.812 5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.594 -35.012 6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.931 -34.094 5.139 1.00 0.00 H new ATOM 1352 N ASN A 85 -1.982 -35.158 12.247 1.00 0.00 N ATOM 1353 CA ASN A 85 -2.397 -36.188 13.214 1.00 0.00 C ATOM 1354 C ASN A 85 -1.202 -37.094 13.557 1.00 0.00 C ATOM 1355 O ASN A 85 -0.789 -37.928 12.750 1.00 0.00 O ATOM 1356 CB ASN A 85 -3.593 -37.005 12.672 1.00 0.00 C ATOM 1357 CG ASN A 85 -4.208 -37.883 13.754 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -3.895 -39.068 13.869 1.00 0.00 O ATOM 1359 ND2 ASN A 85 -5.037 -37.276 14.594 1.00 0.00 N ATOM 0 H ASN A 85 -1.461 -35.518 11.447 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.730 -35.700 14.130 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.350 -36.326 12.279 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.262 -37.628 11.841 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.443 -37.794 15.374 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.268 -36.292 14.460 1.00 0.00 H new ATOM 1366 N PHE A 86 -0.624 -36.879 14.752 1.00 0.00 N ATOM 1367 CA PHE A 86 0.517 -37.667 15.270 1.00 0.00 C ATOM 1368 C PHE A 86 0.034 -38.581 16.422 1.00 0.00 C ATOM 1369 O PHE A 86 -0.700 -38.112 17.292 1.00 0.00 O ATOM 1370 CB PHE A 86 1.653 -36.714 15.764 1.00 0.00 C ATOM 1371 CG PHE A 86 2.392 -35.897 14.687 1.00 0.00 C ATOM 1372 CD1 PHE A 86 2.114 -36.030 13.322 1.00 0.00 C ATOM 1373 CD2 PHE A 86 3.376 -34.973 15.061 1.00 0.00 C ATOM 1374 CE1 PHE A 86 2.785 -35.271 12.379 1.00 0.00 C ATOM 1375 CE2 PHE A 86 4.042 -34.219 14.113 1.00 0.00 C ATOM 1376 CZ PHE A 86 3.747 -34.368 12.776 1.00 0.00 C ATOM 0 H PHE A 86 -0.935 -36.149 15.393 1.00 0.00 H new ATOM 0 HA PHE A 86 0.918 -38.289 14.469 1.00 0.00 H new ATOM 0 HB2 PHE A 86 1.223 -36.017 16.483 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.389 -37.313 16.301 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.364 -36.736 12.999 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.618 -34.848 16.106 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.554 -35.387 11.330 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.796 -33.511 14.422 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.270 -33.777 12.039 1.00 0.00 H new ATOM 1386 N PRO A 87 0.440 -39.901 16.458 1.00 0.00 N ATOM 1387 CA PRO A 87 -0.031 -40.882 17.489 1.00 0.00 C ATOM 1388 C PRO A 87 0.391 -40.535 18.944 1.00 0.00 C ATOM 1389 O PRO A 87 -0.096 -41.160 19.893 1.00 0.00 O ATOM 1390 CB PRO A 87 0.593 -42.227 17.016 1.00 0.00 C ATOM 1391 CG PRO A 87 1.782 -41.822 16.202 1.00 0.00 C ATOM 1392 CD PRO A 87 1.367 -40.553 15.490 1.00 0.00 C ATOM 0 HA PRO A 87 -1.119 -40.897 17.550 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.885 -42.849 17.862 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.115 -42.807 16.424 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.652 -41.651 16.836 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.055 -42.601 15.490 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.225 -39.919 15.266 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.873 -40.767 14.542 1.00 0.00 H new ATOM 1400 N GLU A 88 1.302 -39.553 19.111 1.00 0.00 N ATOM 1401 CA GLU A 88 1.717 -39.056 20.446 1.00 0.00 C ATOM 1402 C GLU A 88 0.678 -38.070 21.027 1.00 0.00 C ATOM 1403 O GLU A 88 0.552 -37.956 22.254 1.00 0.00 O ATOM 1404 CB GLU A 88 3.146 -38.407 20.433 1.00 0.00 C ATOM 1405 CG GLU A 88 3.457 -37.453 19.245 1.00 0.00 C ATOM 1406 CD GLU A 88 4.178 -38.148 18.071 1.00 0.00 C ATOM 1407 OE1 GLU A 88 3.556 -38.963 17.377 1.00 0.00 O ATOM 1408 OE2 GLU A 88 5.372 -37.884 17.845 1.00 0.00 O ATOM 0 H GLU A 88 1.768 -39.084 18.334 1.00 0.00 H new ATOM 0 HA GLU A 88 1.768 -39.930 21.095 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.278 -37.852 21.362 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.886 -39.208 20.432 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.524 -37.020 18.883 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.074 -36.629 19.603 1.00 0.00 H new ATOM 1415 N GLY A 89 -0.057 -37.360 20.145 1.00 0.00 N ATOM 1416 CA GLY A 89 -1.128 -36.462 20.588 1.00 0.00 C ATOM 1417 C GLY A 89 -1.818 -35.746 19.431 1.00 0.00 C ATOM 1418 O GLY A 89 -2.466 -36.392 18.605 1.00 0.00 O ATOM 0 H GLY A 89 0.074 -37.395 19.134 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.868 -37.035 21.147 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.715 -35.721 21.272 1.00 0.00 H new ATOM 1422 N LYS A 90 -1.687 -34.406 19.393 1.00 0.00 N ATOM 1423 CA LYS A 90 -2.255 -33.553 18.343 1.00 0.00 C ATOM 1424 C LYS A 90 -1.525 -33.753 16.997 1.00 0.00 C ATOM 1425 O LYS A 90 -1.994 -34.505 16.139 1.00 0.00 O ATOM 1426 CB LYS A 90 -2.193 -32.072 18.820 1.00 0.00 C ATOM 1427 CG LYS A 90 -2.757 -31.025 17.834 1.00 0.00 C ATOM 1428 CD LYS A 90 -4.243 -31.244 17.471 1.00 0.00 C ATOM 1429 CE LYS A 90 -5.171 -31.282 18.694 1.00 0.00 C ATOM 1430 NZ LYS A 90 -6.602 -31.215 18.313 1.00 0.00 N ATOM 0 H LYS A 90 -1.175 -33.883 20.103 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.295 -33.831 18.169 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.739 -31.989 19.760 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.154 -31.821 19.032 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.642 -30.032 18.268 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.163 -31.044 16.920 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.567 -30.446 16.803 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.341 -32.180 16.921 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.989 -32.197 19.258 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.933 -30.448 19.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.191 -31.244 19.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.783 -30.330 17.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.837 -32.024 17.704 1.00 0.00 H new ATOM 1444 N GLY A 91 -0.360 -33.097 16.844 1.00 0.00 N ATOM 1445 CA GLY A 91 0.418 -33.165 15.611 1.00 0.00 C ATOM 1446 C GLY A 91 0.541 -31.829 14.908 1.00 0.00 C ATOM 1447 O GLY A 91 0.785 -31.777 13.707 1.00 0.00 O ATOM 0 H GLY A 91 0.058 -32.513 17.568 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.415 -33.541 15.839 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.047 -33.882 14.935 1.00 0.00 H new ATOM 1451 N GLU A 92 0.452 -30.732 15.665 1.00 0.00 N ATOM 1452 CA GLU A 92 0.384 -29.383 15.083 1.00 0.00 C ATOM 1453 C GLU A 92 1.808 -28.822 14.892 1.00 0.00 C ATOM 1454 O GLU A 92 2.551 -28.630 15.845 1.00 0.00 O ATOM 1455 CB GLU A 92 -0.482 -28.472 15.994 1.00 0.00 C ATOM 1456 CG GLU A 92 -0.018 -28.400 17.469 1.00 0.00 C ATOM 1457 CD GLU A 92 -0.793 -27.384 18.312 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -0.411 -26.195 18.317 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -1.777 -27.765 18.979 1.00 0.00 O ATOM 0 H GLU A 92 0.425 -30.749 16.685 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.087 -29.421 14.101 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.485 -27.464 15.579 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.511 -28.830 15.969 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.121 -29.387 17.921 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.042 -28.146 17.495 1.00 0.00 H new ATOM 1466 N VAL A 93 2.201 -28.616 13.626 1.00 0.00 N ATOM 1467 CA VAL A 93 3.568 -28.212 13.263 1.00 0.00 C ATOM 1468 C VAL A 93 3.557 -26.772 12.736 1.00 0.00 C ATOM 1469 O VAL A 93 2.777 -26.429 11.841 1.00 0.00 O ATOM 1470 CB VAL A 93 4.196 -29.226 12.224 1.00 0.00 C ATOM 1471 CG1 VAL A 93 4.260 -30.642 12.834 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.425 -29.253 10.880 1.00 0.00 C ATOM 0 H VAL A 93 1.580 -28.725 12.824 1.00 0.00 H new ATOM 0 HA VAL A 93 4.202 -28.239 14.149 1.00 0.00 H new ATOM 0 HB VAL A 93 5.206 -28.878 12.005 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.694 -31.331 12.109 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.877 -30.624 13.732 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.254 -30.973 13.092 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.898 -29.965 10.204 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.392 -29.553 11.059 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.442 -28.260 10.431 1.00 0.00 H new ATOM 1482 N ASP A 94 4.393 -25.910 13.330 1.00 0.00 N ATOM 1483 CA ASP A 94 4.458 -24.486 12.963 1.00 0.00 C ATOM 1484 C ASP A 94 5.288 -24.326 11.669 1.00 0.00 C ATOM 1485 O ASP A 94 6.493 -24.531 11.663 1.00 0.00 O ATOM 1486 CB ASP A 94 5.010 -23.624 14.146 1.00 0.00 C ATOM 1487 CG ASP A 94 6.444 -23.986 14.590 1.00 0.00 C ATOM 1488 OD1 ASP A 94 6.613 -24.993 15.304 1.00 0.00 O ATOM 1489 OD2 ASP A 94 7.401 -23.248 14.246 1.00 0.00 O ATOM 0 H ASP A 94 5.039 -26.176 14.073 1.00 0.00 H new ATOM 0 HA ASP A 94 3.453 -24.114 12.763 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.988 -22.574 13.854 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.341 -23.732 15.000 1.00 0.00 H new ATOM 1494 N VAL A 95 4.617 -23.988 10.556 1.00 0.00 N ATOM 1495 CA VAL A 95 5.239 -23.944 9.213 1.00 0.00 C ATOM 1496 C VAL A 95 5.292 -22.498 8.699 1.00 0.00 C ATOM 1497 O VAL A 95 4.302 -21.767 8.784 1.00 0.00 O ATOM 1498 CB VAL A 95 4.437 -24.841 8.193 1.00 0.00 C ATOM 1499 CG1 VAL A 95 5.077 -24.854 6.777 1.00 0.00 C ATOM 1500 CG2 VAL A 95 4.251 -26.274 8.741 1.00 0.00 C ATOM 0 H VAL A 95 3.628 -23.737 10.557 1.00 0.00 H new ATOM 0 HA VAL A 95 6.253 -24.334 9.297 1.00 0.00 H new ATOM 0 HB VAL A 95 3.451 -24.389 8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.485 -25.486 6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.104 -23.839 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.092 -25.246 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.695 -26.871 8.018 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.227 -26.728 8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.699 -26.236 9.680 1.00 0.00 H new ATOM 1510 N ALA A 96 6.470 -22.094 8.203 1.00 0.00 N ATOM 1511 CA ALA A 96 6.676 -20.800 7.543 1.00 0.00 C ATOM 1512 C ALA A 96 6.490 -20.968 6.021 1.00 0.00 C ATOM 1513 O ALA A 96 7.381 -21.466 5.325 1.00 0.00 O ATOM 1514 CB ALA A 96 8.068 -20.245 7.895 1.00 0.00 C ATOM 0 H ALA A 96 7.315 -22.664 8.250 1.00 0.00 H new ATOM 0 HA ALA A 96 5.939 -20.078 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.212 -19.284 7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.145 -20.113 8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.834 -20.944 7.560 1.00 0.00 H new ATOM 1520 N CYS A 97 5.305 -20.589 5.533 1.00 0.00 N ATOM 1521 CA CYS A 97 4.935 -20.648 4.116 1.00 0.00 C ATOM 1522 C CYS A 97 5.219 -19.277 3.482 1.00 0.00 C ATOM 1523 O CYS A 97 4.528 -18.295 3.762 1.00 0.00 O ATOM 1524 CB CYS A 97 3.438 -21.017 3.995 1.00 0.00 C ATOM 1525 SG CYS A 97 2.979 -22.532 4.873 1.00 0.00 S ATOM 0 H CYS A 97 4.559 -20.224 6.126 1.00 0.00 H new ATOM 0 HA CYS A 97 5.517 -21.408 3.594 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.839 -20.191 4.379 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.186 -21.130 2.940 1.00 0.00 H new ATOM 0 HG CYS A 97 1.786 -22.399 5.373 1.00 0.00 H new ATOM 1531 N ILE A 98 6.260 -19.219 2.648 1.00 0.00 N ATOM 1532 CA ILE A 98 6.761 -17.974 2.045 1.00 0.00 C ATOM 1533 C ILE A 98 6.377 -17.913 0.551 1.00 0.00 C ATOM 1534 O ILE A 98 6.817 -18.744 -0.251 1.00 0.00 O ATOM 1535 CB ILE A 98 8.328 -17.833 2.266 1.00 0.00 C ATOM 1536 CG1 ILE A 98 8.917 -16.621 1.467 1.00 0.00 C ATOM 1537 CG2 ILE A 98 9.087 -19.148 1.970 1.00 0.00 C ATOM 1538 CD1 ILE A 98 10.421 -16.410 1.613 1.00 0.00 C ATOM 0 H ILE A 98 6.788 -20.045 2.366 1.00 0.00 H new ATOM 0 HA ILE A 98 6.291 -17.124 2.541 1.00 0.00 H new ATOM 0 HB ILE A 98 8.479 -17.625 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.687 -16.758 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.407 -15.713 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.154 -18.998 2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.724 -19.935 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.919 -19.440 0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.727 -15.547 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.664 -16.235 2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.949 -17.297 1.261 1.00 0.00 H new ATOM 1550 N TYR A 99 5.526 -16.931 0.184 1.00 0.00 N ATOM 1551 CA TYR A 99 5.039 -16.753 -1.202 1.00 0.00 C ATOM 1552 C TYR A 99 5.602 -15.459 -1.793 1.00 0.00 C ATOM 1553 O TYR A 99 5.555 -14.408 -1.143 1.00 0.00 O ATOM 1554 CB TYR A 99 3.492 -16.687 -1.260 1.00 0.00 C ATOM 1555 CG TYR A 99 2.778 -17.789 -0.468 1.00 0.00 C ATOM 1556 CD1 TYR A 99 2.651 -19.079 -0.978 1.00 0.00 C ATOM 1557 CD2 TYR A 99 2.242 -17.533 0.793 1.00 0.00 C ATOM 1558 CE1 TYR A 99 2.009 -20.071 -0.263 1.00 0.00 C ATOM 1559 CE2 TYR A 99 1.597 -18.523 1.515 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.481 -19.792 0.980 1.00 0.00 C ATOM 1561 OH TYR A 99 0.843 -20.790 1.690 1.00 0.00 O ATOM 0 H TYR A 99 5.158 -16.240 0.838 1.00 0.00 H new ATOM 0 HA TYR A 99 5.377 -17.615 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.168 -15.717 -0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.177 -16.744 -2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.062 -19.308 -1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.332 -16.543 1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.921 -21.065 -0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.187 -18.305 2.490 1.00 0.00 H new ATOM 0 HH TYR A 99 0.529 -20.432 2.547 1.00 0.00 H new ATOM 1571 N GLU A 100 6.104 -15.542 -3.027 1.00 0.00 N ATOM 1572 CA GLU A 100 6.569 -14.387 -3.795 1.00 0.00 C ATOM 1573 C GLU A 100 5.551 -14.090 -4.909 1.00 0.00 C ATOM 1574 O GLU A 100 5.370 -14.889 -5.841 1.00 0.00 O ATOM 1575 CB GLU A 100 7.968 -14.674 -4.390 1.00 0.00 C ATOM 1576 CG GLU A 100 8.641 -13.463 -5.062 1.00 0.00 C ATOM 1577 CD GLU A 100 9.951 -13.820 -5.793 1.00 0.00 C ATOM 1578 OE1 GLU A 100 10.962 -14.106 -5.122 1.00 0.00 O ATOM 1579 OE2 GLU A 100 9.975 -13.813 -7.042 1.00 0.00 O ATOM 0 H GLU A 100 6.200 -16.426 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 100 6.653 -13.516 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.618 -15.039 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.879 -15.476 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.945 -13.019 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.850 -12.706 -4.306 1.00 0.00 H new ATOM 1586 N VAL A 101 4.889 -12.944 -4.777 1.00 0.00 N ATOM 1587 CA VAL A 101 3.856 -12.454 -5.698 1.00 0.00 C ATOM 1588 C VAL A 101 4.503 -11.702 -6.877 1.00 0.00 C ATOM 1589 O VAL A 101 5.471 -10.953 -6.696 1.00 0.00 O ATOM 1590 CB VAL A 101 2.842 -11.531 -4.922 1.00 0.00 C ATOM 1591 CG1 VAL A 101 1.684 -11.024 -5.826 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.293 -12.272 -3.677 1.00 0.00 C ATOM 0 H VAL A 101 5.060 -12.305 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 101 3.306 -13.303 -6.105 1.00 0.00 H new ATOM 0 HB VAL A 101 3.389 -10.646 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.015 -10.393 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.095 -10.447 -6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.128 -11.876 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.593 -11.625 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.780 -13.181 -3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.119 -12.532 -3.015 1.00 0.00 H new ATOM 1602 N GLU A 102 3.948 -11.920 -8.075 1.00 0.00 N ATOM 1603 CA GLU A 102 4.495 -11.418 -9.346 1.00 0.00 C ATOM 1604 C GLU A 102 3.326 -10.974 -10.252 1.00 0.00 C ATOM 1605 O GLU A 102 2.591 -11.816 -10.777 1.00 0.00 O ATOM 1606 CB GLU A 102 5.334 -12.546 -10.017 1.00 0.00 C ATOM 1607 CG GLU A 102 6.032 -12.179 -11.341 1.00 0.00 C ATOM 1608 CD GLU A 102 7.152 -11.136 -11.185 1.00 0.00 C ATOM 1609 OE1 GLU A 102 8.309 -11.528 -10.913 1.00 0.00 O ATOM 1610 OE2 GLU A 102 6.888 -9.923 -11.337 1.00 0.00 O ATOM 0 H GLU A 102 3.091 -12.460 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 102 5.146 -10.560 -9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.094 -12.875 -9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.679 -13.398 -10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.450 -13.083 -11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.288 -11.797 -12.040 1.00 0.00 H new ATOM 1617 N ASN A 103 3.146 -9.644 -10.385 1.00 0.00 N ATOM 1618 CA ASN A 103 2.061 -9.012 -11.187 1.00 0.00 C ATOM 1619 C ASN A 103 0.649 -9.368 -10.644 1.00 0.00 C ATOM 1620 O ASN A 103 -0.333 -9.424 -11.401 1.00 0.00 O ATOM 1621 CB ASN A 103 2.186 -9.359 -12.710 1.00 0.00 C ATOM 1622 CG ASN A 103 3.555 -8.996 -13.302 1.00 0.00 C ATOM 1623 OD1 ASN A 103 4.455 -9.969 -13.349 1.00 0.00 O flip ATOM 1624 ND2 ASN A 103 3.790 -7.863 -13.728 1.00 0.00 N flip ATOM 0 H ASN A 103 3.756 -8.962 -9.934 1.00 0.00 H new ATOM 0 HA ASN A 103 2.185 -7.934 -11.083 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.008 -10.425 -12.849 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.407 -8.832 -13.261 1.00 0.00 H new ATOM 0 HD21 ASN A 103 3.073 -7.139 -13.675 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.701 -7.649 -14.133 1.00 0.00 H new ATOM 1631 N GLY A 104 0.556 -9.562 -9.309 1.00 0.00 N ATOM 1632 CA GLY A 104 -0.719 -9.884 -8.641 1.00 0.00 C ATOM 1633 C GLY A 104 -0.936 -11.379 -8.416 1.00 0.00 C ATOM 1634 O GLY A 104 -1.883 -11.781 -7.726 1.00 0.00 O ATOM 0 H GLY A 104 1.352 -9.500 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.754 -9.372 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.541 -9.493 -9.240 1.00 0.00 H new ATOM 1638 N ARG A 105 -0.040 -12.210 -8.982 1.00 0.00 N ATOM 1639 CA ARG A 105 -0.152 -13.681 -8.949 1.00 0.00 C ATOM 1640 C ARG A 105 1.188 -14.291 -8.517 1.00 0.00 C ATOM 1641 O ARG A 105 2.229 -13.934 -9.054 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.558 -14.219 -10.350 1.00 0.00 C ATOM 1643 CG ARG A 105 -1.973 -13.808 -10.822 1.00 0.00 C ATOM 1644 CD ARG A 105 -3.073 -14.389 -9.924 1.00 0.00 C ATOM 1645 NE ARG A 105 -4.422 -13.922 -10.280 1.00 0.00 N ATOM 1646 CZ ARG A 105 -5.106 -12.966 -9.634 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -4.545 -12.251 -8.663 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -6.351 -12.710 -9.978 1.00 0.00 N ATOM 0 H ARG A 105 0.787 -11.878 -9.478 1.00 0.00 H new ATOM 0 HA ARG A 105 -0.922 -13.964 -8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.169 -13.868 -11.082 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.497 -15.307 -10.337 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -2.050 -12.721 -10.831 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.126 -14.147 -11.847 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -3.045 -15.477 -9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.865 -14.122 -8.888 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.873 -14.361 -11.083 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.576 -12.425 -8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.084 -11.529 -8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.790 -13.238 -10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.876 -11.984 -9.490 1.00 0.00 H new ATOM 1662 N ILE A 106 1.138 -15.243 -7.581 1.00 0.00 N ATOM 1663 CA ILE A 106 2.336 -15.900 -7.022 1.00 0.00 C ATOM 1664 C ILE A 106 3.016 -16.755 -8.091 1.00 0.00 C ATOM 1665 O ILE A 106 2.444 -17.738 -8.530 1.00 0.00 O ATOM 1666 CB ILE A 106 1.947 -16.810 -5.809 1.00 0.00 C ATOM 1667 CG1 ILE A 106 1.185 -15.987 -4.739 1.00 0.00 C ATOM 1668 CG2 ILE A 106 3.184 -17.514 -5.194 1.00 0.00 C ATOM 1669 CD1 ILE A 106 0.593 -16.829 -3.642 1.00 0.00 C ATOM 0 H ILE A 106 0.263 -15.586 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 106 3.022 -15.124 -6.684 1.00 0.00 H new ATOM 0 HB ILE A 106 1.287 -17.594 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.866 -15.259 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.388 -15.425 -5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.870 -18.135 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.660 -18.138 -5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.893 -16.764 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.075 -16.187 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.114 -17.540 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.388 -17.371 -3.130 1.00 0.00 H new ATOM 1681 N ALA A 107 4.216 -16.359 -8.528 1.00 0.00 N ATOM 1682 CA ALA A 107 4.973 -17.120 -9.539 1.00 0.00 C ATOM 1683 C ALA A 107 6.001 -18.057 -8.886 1.00 0.00 C ATOM 1684 O ALA A 107 6.563 -18.921 -9.565 1.00 0.00 O ATOM 1685 CB ALA A 107 5.640 -16.165 -10.534 1.00 0.00 C ATOM 0 H ALA A 107 4.688 -15.516 -8.200 1.00 0.00 H new ATOM 0 HA ALA A 107 4.271 -17.749 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.195 -16.741 -11.274 1.00 0.00 H new ATOM 0 HB2 ALA A 107 4.876 -15.570 -11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.324 -15.504 -10.001 1.00 0.00 H new ATOM 1691 N LYS A 108 6.233 -17.899 -7.567 1.00 0.00 N ATOM 1692 CA LYS A 108 7.197 -18.724 -6.809 1.00 0.00 C ATOM 1693 C LYS A 108 6.727 -18.839 -5.362 1.00 0.00 C ATOM 1694 O LYS A 108 6.415 -17.831 -4.739 1.00 0.00 O ATOM 1695 CB LYS A 108 8.635 -18.123 -6.857 1.00 0.00 C ATOM 1696 CG LYS A 108 9.408 -18.383 -8.165 1.00 0.00 C ATOM 1697 CD LYS A 108 10.793 -17.698 -8.182 1.00 0.00 C ATOM 1698 CE LYS A 108 11.541 -17.926 -9.504 1.00 0.00 C ATOM 1699 NZ LYS A 108 12.849 -17.228 -9.532 1.00 0.00 N ATOM 0 H LYS A 108 5.759 -17.198 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 108 7.240 -19.711 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.568 -17.046 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.210 -18.530 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.536 -19.457 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.819 -18.024 -9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.668 -16.628 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.394 -18.079 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.697 -18.995 -9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.926 -17.576 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.320 -17.409 -10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.699 -16.205 -9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.447 -17.580 -8.757 1.00 0.00 H new ATOM 1713 N ALA A 109 6.702 -20.066 -4.838 1.00 0.00 N ATOM 1714 CA ALA A 109 6.236 -20.359 -3.481 1.00 0.00 C ATOM 1715 C ALA A 109 7.106 -21.458 -2.877 1.00 0.00 C ATOM 1716 O ALA A 109 7.504 -22.398 -3.568 1.00 0.00 O ATOM 1717 CB ALA A 109 4.758 -20.769 -3.494 1.00 0.00 C ATOM 0 H ALA A 109 7.008 -20.894 -5.350 1.00 0.00 H new ATOM 0 HA ALA A 109 6.322 -19.463 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.431 -20.983 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.159 -19.957 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.633 -21.660 -4.110 1.00 0.00 H new ATOM 1723 N TRP A 110 7.428 -21.304 -1.596 1.00 0.00 N ATOM 1724 CA TRP A 110 8.272 -22.238 -0.833 1.00 0.00 C ATOM 1725 C TRP A 110 7.634 -22.406 0.556 1.00 0.00 C ATOM 1726 O TRP A 110 6.868 -21.533 0.993 1.00 0.00 O ATOM 1727 CB TRP A 110 9.733 -21.679 -0.699 1.00 0.00 C ATOM 1728 CG TRP A 110 10.299 -21.052 -1.964 1.00 0.00 C ATOM 1729 CD1 TRP A 110 10.913 -21.690 -3.001 1.00 0.00 C ATOM 1730 CD2 TRP A 110 10.282 -19.657 -2.322 1.00 0.00 C ATOM 1731 NE1 TRP A 110 11.270 -20.797 -3.970 1.00 0.00 N ATOM 1732 CE2 TRP A 110 10.899 -19.543 -3.581 1.00 0.00 C ATOM 1733 CE3 TRP A 110 9.800 -18.501 -1.703 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 11.058 -18.321 -4.223 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 9.955 -17.288 -2.340 1.00 0.00 C ATOM 1736 CH2 TRP A 110 10.576 -17.205 -3.594 1.00 0.00 C ATOM 0 H TRP A 110 7.106 -20.511 -1.041 1.00 0.00 H new ATOM 0 HA TRP A 110 8.335 -23.198 -1.345 1.00 0.00 H new ATOM 0 HB2 TRP A 110 9.750 -20.934 0.097 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.390 -22.492 -0.389 1.00 0.00 H new ATOM 0 HD1 TRP A 110 11.092 -22.754 -3.049 1.00 0.00 H new ATOM 0 HE1 TRP A 110 11.739 -21.030 -4.845 1.00 0.00 H new ATOM 0 HE3 TRP A 110 9.313 -18.557 -0.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.545 -18.254 -5.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 9.592 -16.388 -1.866 1.00 0.00 H new ATOM 0 HH2 TRP A 110 10.676 -16.242 -4.073 1.00 0.00 H new ATOM 1747 N PHE A 111 7.918 -23.516 1.250 1.00 0.00 N ATOM 1748 CA PHE A 111 7.501 -23.683 2.655 1.00 0.00 C ATOM 1749 C PHE A 111 8.580 -24.439 3.440 1.00 0.00 C ATOM 1750 O PHE A 111 9.282 -25.305 2.892 1.00 0.00 O ATOM 1751 CB PHE A 111 6.104 -24.368 2.782 1.00 0.00 C ATOM 1752 CG PHE A 111 6.077 -25.878 2.536 1.00 0.00 C ATOM 1753 CD1 PHE A 111 6.025 -26.400 1.245 1.00 0.00 C ATOM 1754 CD2 PHE A 111 6.097 -26.775 3.607 1.00 0.00 C ATOM 1755 CE1 PHE A 111 5.990 -27.767 1.035 1.00 0.00 C ATOM 1756 CE2 PHE A 111 6.068 -28.136 3.396 1.00 0.00 C ATOM 1757 CZ PHE A 111 6.013 -28.635 2.111 1.00 0.00 C ATOM 0 H PHE A 111 8.432 -24.310 0.867 1.00 0.00 H new ATOM 0 HA PHE A 111 7.390 -22.690 3.091 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.715 -24.175 3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.422 -23.892 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.012 -25.730 0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 111 6.136 -26.395 4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.945 -28.157 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 111 6.088 -28.813 4.237 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.988 -29.702 1.946 1.00 0.00 H new ATOM 1767 N LYS A 112 8.704 -24.092 4.722 1.00 0.00 N ATOM 1768 CA LYS A 112 9.626 -24.732 5.664 1.00 0.00 C ATOM 1769 C LYS A 112 8.839 -25.127 6.916 1.00 0.00 C ATOM 1770 O LYS A 112 8.251 -24.262 7.571 1.00 0.00 O ATOM 1771 CB LYS A 112 10.778 -23.752 6.033 1.00 0.00 C ATOM 1772 CG LYS A 112 11.781 -24.301 7.077 1.00 0.00 C ATOM 1773 CD LYS A 112 12.835 -23.259 7.523 1.00 0.00 C ATOM 1774 CE LYS A 112 13.725 -22.763 6.370 1.00 0.00 C ATOM 1775 NZ LYS A 112 14.790 -21.842 6.844 1.00 0.00 N ATOM 0 H LYS A 112 8.155 -23.343 5.144 1.00 0.00 H new ATOM 0 HA LYS A 112 10.069 -25.619 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.323 -23.495 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.343 -22.829 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.231 -24.647 7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.292 -25.168 6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.326 -22.407 7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.465 -23.698 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.181 -23.618 5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.108 -22.253 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.366 -21.532 6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.356 -21.013 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.395 -22.335 7.531 1.00 0.00 H new ATOM 1789 N ILE A 113 8.855 -26.421 7.268 1.00 0.00 N ATOM 1790 CA ILE A 113 8.137 -26.934 8.446 1.00 0.00 C ATOM 1791 C ILE A 113 9.053 -26.813 9.667 1.00 0.00 C ATOM 1792 O ILE A 113 10.215 -27.219 9.623 1.00 0.00 O ATOM 1793 CB ILE A 113 7.678 -28.433 8.242 1.00 0.00 C ATOM 1794 CG1 ILE A 113 6.585 -28.525 7.130 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.165 -29.074 9.564 1.00 0.00 C ATOM 1796 CD1 ILE A 113 6.252 -29.940 6.681 1.00 0.00 C ATOM 0 H ILE A 113 9.362 -27.138 6.749 1.00 0.00 H new ATOM 0 HA ILE A 113 7.234 -26.343 8.596 1.00 0.00 H new ATOM 0 HB ILE A 113 8.554 -28.999 7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.674 -28.050 7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.918 -27.953 6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.861 -30.103 9.375 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.962 -29.062 10.307 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.312 -28.506 9.937 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.484 -29.905 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.148 -30.415 6.282 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.885 -30.515 7.531 1.00 0.00 H new ATOM 1808 N GLY A 114 8.511 -26.234 10.746 1.00 0.00 N ATOM 1809 CA GLY A 114 9.268 -26.006 11.978 1.00 0.00 C ATOM 1810 C GLY A 114 9.409 -27.267 12.815 1.00 0.00 C ATOM 1811 O GLY A 114 9.805 -28.322 12.299 1.00 0.00 O ATOM 0 H GLY A 114 7.543 -25.914 10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.259 -25.627 11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 114 8.772 -25.235 12.568 1.00 0.00 H new ATOM 1815 N GLU A 115 9.087 -27.170 14.107 1.00 0.00 N ATOM 1816 CA GLU A 115 9.172 -28.305 15.031 1.00 0.00 C ATOM 1817 C GLU A 115 7.820 -29.065 15.044 1.00 0.00 C ATOM 1818 O GLU A 115 6.791 -28.516 14.610 1.00 0.00 O ATOM 1819 CB GLU A 115 9.509 -27.796 16.461 1.00 0.00 C ATOM 1820 CG GLU A 115 8.316 -27.140 17.165 1.00 0.00 C ATOM 1821 CD GLU A 115 8.626 -26.594 18.556 1.00 0.00 C ATOM 1822 OE1 GLU A 115 9.325 -25.559 18.660 1.00 0.00 O ATOM 1823 OE2 GLU A 115 8.162 -27.182 19.549 1.00 0.00 O ATOM 0 H GLU A 115 8.761 -26.307 14.541 1.00 0.00 H new ATOM 0 HA GLU A 115 9.961 -28.982 14.702 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.863 -28.633 17.063 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.327 -27.078 16.401 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.946 -26.325 16.543 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.511 -27.871 17.246 1.00 0.00 H new ATOM 1830 N PRO A 116 7.800 -30.341 15.514 1.00 0.00 N ATOM 1831 CA PRO A 116 6.545 -31.048 15.811 1.00 0.00 C ATOM 1832 C PRO A 116 6.007 -30.714 17.227 1.00 0.00 C ATOM 1833 O PRO A 116 6.661 -31.016 18.241 1.00 0.00 O ATOM 1834 CB PRO A 116 6.966 -32.516 15.649 1.00 0.00 C ATOM 1835 CG PRO A 116 8.400 -32.564 16.102 1.00 0.00 C ATOM 1836 CD PRO A 116 8.992 -31.217 15.735 1.00 0.00 C ATOM 0 HA PRO A 116 5.712 -30.771 15.165 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.340 -33.175 16.251 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.868 -32.842 14.614 1.00 0.00 H new ATOM 0 HG2 PRO A 116 8.466 -32.741 17.176 1.00 0.00 H new ATOM 0 HG3 PRO A 116 8.938 -33.375 15.612 1.00 0.00 H new ATOM 0 HD2 PRO A 116 9.628 -30.831 16.532 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.609 -31.284 14.839 1.00 0.00 H new ATOM 1844 N ARG A 117 4.825 -30.048 17.298 1.00 0.00 N ATOM 1845 CA ARG A 117 4.215 -29.664 18.585 1.00 0.00 C ATOM 1846 C ARG A 117 2.998 -30.543 18.893 1.00 0.00 C ATOM 1847 O ARG A 117 2.277 -30.996 17.997 1.00 0.00 O ATOM 1848 CB ARG A 117 3.779 -28.170 18.628 1.00 0.00 C ATOM 1849 CG ARG A 117 4.813 -27.166 18.087 1.00 0.00 C ATOM 1850 CD ARG A 117 4.469 -25.709 18.447 1.00 0.00 C ATOM 1851 NE ARG A 117 3.087 -25.318 18.098 1.00 0.00 N ATOM 1852 CZ ARG A 117 2.598 -24.072 18.213 1.00 0.00 C ATOM 1853 NH1 ARG A 117 3.395 -23.049 18.516 1.00 0.00 N ATOM 1854 NH2 ARG A 117 1.315 -23.848 17.996 1.00 0.00 N ATOM 0 H ARG A 117 4.283 -29.770 16.480 1.00 0.00 H new ATOM 0 HA ARG A 117 4.988 -29.811 19.339 1.00 0.00 H new ATOM 0 HB2 ARG A 117 2.858 -28.061 18.056 1.00 0.00 H new ATOM 0 HB3 ARG A 117 3.546 -27.906 19.660 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.797 -27.412 18.487 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.876 -27.263 17.003 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.618 -25.564 19.517 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.165 -25.044 17.935 1.00 0.00 H new ATOM 0 HE ARG A 117 2.462 -26.043 17.746 1.00 0.00 H new ATOM 0 HH11 ARG A 117 4.392 -23.206 18.664 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.009 -22.109 18.600 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.698 -24.620 17.742 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.940 -22.903 18.082 1.00 0.00 H new ATOM 1868 N ILE A 118 2.793 -30.759 20.193 1.00 0.00 N ATOM 1869 CA ILE A 118 1.645 -31.462 20.767 1.00 0.00 C ATOM 1870 C ILE A 118 1.065 -30.550 21.860 1.00 0.00 C ATOM 1871 O ILE A 118 1.821 -29.819 22.515 1.00 0.00 O ATOM 1872 CB ILE A 118 2.074 -32.866 21.376 1.00 0.00 C ATOM 1873 CG1 ILE A 118 2.705 -33.788 20.277 1.00 0.00 C ATOM 1874 CG2 ILE A 118 0.886 -33.582 22.059 1.00 0.00 C ATOM 1875 CD1 ILE A 118 1.760 -34.157 19.150 1.00 0.00 C ATOM 0 H ILE A 118 3.449 -30.436 20.904 1.00 0.00 H new ATOM 0 HA ILE A 118 0.902 -31.671 19.997 1.00 0.00 H new ATOM 0 HB ILE A 118 2.828 -32.667 22.138 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.576 -33.286 19.855 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.063 -34.703 20.749 1.00 0.00 H new ATOM 0 HG21 ILE A 118 1.220 -34.538 22.462 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.503 -32.960 22.869 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.096 -33.753 21.328 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.278 -34.796 18.435 1.00 0.00 H new ATOM 0 HD12 ILE A 118 0.900 -34.690 19.556 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.421 -33.251 18.648 1.00 0.00 H new ATOM 1887 N VAL A 119 -0.264 -30.596 22.048 1.00 0.00 N ATOM 1888 CA VAL A 119 -0.986 -29.736 23.021 1.00 0.00 C ATOM 1889 C VAL A 119 -0.417 -29.862 24.463 1.00 0.00 C ATOM 1890 O VAL A 119 -0.439 -28.896 25.234 1.00 0.00 O ATOM 1891 CB VAL A 119 -2.536 -30.044 22.982 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -3.315 -29.347 24.123 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -3.128 -29.654 21.602 1.00 0.00 C ATOM 0 H VAL A 119 -0.876 -31.229 21.533 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.830 -28.700 22.721 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.650 -31.117 23.135 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.374 -29.595 24.045 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.932 -29.687 25.085 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.188 -28.267 24.043 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.196 -29.872 21.590 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.973 -28.589 21.427 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.632 -30.227 20.818 1.00 0.00 H new ATOM 1903 N SER A 120 0.135 -31.045 24.782 1.00 0.00 N ATOM 1904 CA SER A 120 0.719 -31.347 26.098 1.00 0.00 C ATOM 1905 C SER A 120 2.078 -30.632 26.318 1.00 0.00 C ATOM 1906 O SER A 120 2.312 -30.044 27.375 1.00 0.00 O ATOM 1907 CB SER A 120 0.887 -32.876 26.233 1.00 0.00 C ATOM 1908 OG SER A 120 1.742 -33.394 25.228 1.00 0.00 O ATOM 0 H SER A 120 0.188 -31.825 24.127 1.00 0.00 H new ATOM 0 HA SER A 120 0.041 -30.973 26.865 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.293 -33.113 27.216 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.088 -33.358 26.167 1.00 0.00 H new ATOM 0 HG SER A 120 1.830 -34.363 25.341 1.00 0.00 H new ATOM 1914 N GLN A 121 2.960 -30.679 25.295 1.00 0.00 N ATOM 1915 CA GLN A 121 4.387 -30.272 25.428 1.00 0.00 C ATOM 1916 C GLN A 121 4.699 -28.891 24.797 1.00 0.00 C ATOM 1917 O GLN A 121 5.834 -28.423 24.912 1.00 0.00 O ATOM 1918 CB GLN A 121 5.295 -31.343 24.766 1.00 0.00 C ATOM 1919 CG GLN A 121 5.210 -32.761 25.368 1.00 0.00 C ATOM 1920 CD GLN A 121 6.040 -33.810 24.606 1.00 0.00 C ATOM 1921 OE1 GLN A 121 6.108 -33.701 23.282 1.00 0.00 O flip ATOM 1922 NE2 GLN A 121 6.588 -34.737 25.199 1.00 0.00 N flip ATOM 0 H GLN A 121 2.711 -30.997 24.358 1.00 0.00 H new ATOM 0 HA GLN A 121 4.586 -30.188 26.496 1.00 0.00 H new ATOM 0 HB2 GLN A 121 5.042 -31.402 23.707 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.329 -31.004 24.828 1.00 0.00 H new ATOM 0 HG2 GLN A 121 5.548 -32.727 26.404 1.00 0.00 H new ATOM 0 HG3 GLN A 121 4.167 -33.077 25.383 1.00 0.00 H new ATOM 0 HE21 GLN A 121 6.523 -34.802 26.215 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.107 -35.441 24.675 1.00 0.00 H new ATOM 1931 N LYS A 122 3.711 -28.253 24.131 1.00 0.00 N ATOM 1932 CA LYS A 122 3.929 -26.991 23.359 1.00 0.00 C ATOM 1933 C LYS A 122 4.423 -25.820 24.255 1.00 0.00 C ATOM 1934 O LYS A 122 4.065 -25.733 25.435 1.00 0.00 O ATOM 1935 CB LYS A 122 2.631 -26.571 22.626 1.00 0.00 C ATOM 1936 CG LYS A 122 1.441 -26.256 23.564 1.00 0.00 C ATOM 1937 CD LYS A 122 0.306 -25.493 22.857 1.00 0.00 C ATOM 1938 CE LYS A 122 -0.349 -26.292 21.729 1.00 0.00 C ATOM 1939 NZ LYS A 122 -1.372 -25.504 21.007 1.00 0.00 N ATOM 0 H LYS A 122 2.747 -28.587 24.108 1.00 0.00 H new ATOM 0 HA LYS A 122 4.712 -27.203 22.631 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.840 -25.692 22.017 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.339 -27.369 21.944 1.00 0.00 H new ATOM 0 HG2 LYS A 122 1.048 -27.188 23.969 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.797 -25.666 24.409 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.454 -25.224 23.591 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.701 -24.562 22.451 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.417 -26.620 21.026 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.809 -27.190 22.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.298 -25.969 21.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.423 -24.548 21.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.115 -25.441 20.001 1.00 0.00 H new ATOM 1953 N SER A 123 5.227 -24.916 23.664 1.00 0.00 N ATOM 1954 CA SER A 123 5.823 -23.769 24.368 1.00 0.00 C ATOM 1955 C SER A 123 5.845 -22.523 23.432 1.00 0.00 C ATOM 1956 O SER A 123 4.963 -21.644 23.571 1.00 0.00 O ATOM 1957 CB SER A 123 7.243 -24.146 24.887 1.00 0.00 C ATOM 1958 OG SER A 123 8.062 -24.690 23.856 1.00 0.00 O ATOM 1959 OXT SER A 123 6.713 -22.437 22.536 1.00 0.00 O ATOM 0 H SER A 123 5.482 -24.963 22.677 1.00 0.00 H new ATOM 0 HA SER A 123 5.217 -23.511 25.236 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.724 -23.260 25.302 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.152 -24.869 25.697 1.00 0.00 H new ATOM 0 HG SER A 123 7.927 -24.182 23.029 1.00 0.00 H new TER 1965 SER A 123