USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 835 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: X 20 LYS NZ :NH3+ -169:sc= 1.06 (180deg=0) USER MOD Set 1.2: X 28 TYR OH : rot 180:sc= 0.623 USER MOD Set 2.1: X 14 GLN : amide:sc= -0.47 X(o=-0.77,f=-0.98) USER MOD Set 2.2: X 17 GLN : amide:sc= -0.303 K(o=-0.77,f=-2.7!) USER MOD Set 3.1: X 6 SER OG : rot 180:sc= -0.0752 USER MOD Set 3.2: X 8 HIS : no HD1:sc= -1.35! K(o=-1.4!,f=0.13) USER MOD Single : X 1 MET CE :methyl -138:sc= -0.0592 (180deg=-0.827) USER MOD Single : X 1 MET N :NH3+ -115:sc= -0.392 (180deg=-1.26) USER MOD Single : X 3 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 7 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.4) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 LYS NZ :NH3+ 144:sc= -1.06 (180deg=-2.67!) USER MOD Single : X 21 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 33 LYS NZ :NH3+ -109:sc= 1.05 (180deg=-0.238) USER MOD Single : X 39 LYS NZ :NH3+ -159:sc= -0.0935 (180deg=-0.619) USER MOD Single : X 41 THR OG1 : rot 91:sc= 0.477 USER MOD Single : X 42 CYS SG : rot 180:sc= 0 USER MOD Single : X 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 170:sc= 0 USER MOD Single : X 64 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -2.54! C(o=-2.5!,f=-4.6!) USER MOD Single : X 69 THR OG1 : rot 96:sc= 1.05 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot -76:sc= 0.559 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= 0 USER MOD Single : X 84 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.4!) USER MOD Single : X 87 LYS NZ :NH3+ -176:sc= 0.11! (180deg=-0.508!) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.23) USER MOD Single : X 98 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.34) USER MOD Single : X 100 MET CE :methyl -157:sc= -0.179 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 71.198 -5.392 1.240 1.00 1.00 N ATOM 2 CA MET X 1 71.450 -6.806 1.639 1.00 1.00 C ATOM 3 C MET X 1 70.737 -7.746 0.666 1.00 1.00 C ATOM 4 O MET X 1 71.191 -7.971 -0.439 1.00 1.00 O ATOM 5 CB MET X 1 70.918 -7.038 3.055 1.00 1.00 C ATOM 6 CG MET X 1 71.735 -6.212 4.048 1.00 1.00 C ATOM 7 SD MET X 1 71.191 -6.587 5.735 1.00 1.00 S ATOM 8 CE MET X 1 69.568 -5.791 5.640 1.00 1.00 C ATOM 0 H1 MET X 1 72.093 -4.948 0.951 1.00 1.00 H new ATOM 0 H2 MET X 1 70.528 -5.370 0.445 1.00 1.00 H new ATOM 0 H3 MET X 1 70.797 -4.870 2.045 1.00 1.00 H new ATOM 0 HA MET X 1 72.521 -7.005 1.616 1.00 1.00 H new ATOM 0 HB2 MET X 1 69.866 -6.757 3.110 1.00 1.00 H new ATOM 0 HB3 MET X 1 70.979 -8.096 3.309 1.00 1.00 H new ATOM 0 HG2 MET X 1 72.796 -6.436 3.938 1.00 1.00 H new ATOM 0 HG3 MET X 1 71.611 -5.149 3.842 1.00 1.00 H new ATOM 0 HE1 MET X 1 69.376 -5.244 6.563 1.00 1.00 H new ATOM 0 HE2 MET X 1 69.551 -5.099 4.798 1.00 1.00 H new ATOM 0 HE3 MET X 1 68.798 -6.550 5.501 1.00 1.00 H new ATOM 20 N GLY X 2 69.623 -8.294 1.064 1.00 1.00 N ATOM 21 CA GLY X 2 68.879 -9.216 0.159 1.00 1.00 C ATOM 22 C GLY X 2 69.587 -10.568 0.108 1.00 1.00 C ATOM 23 O GLY X 2 69.366 -11.355 -0.793 1.00 1.00 O ATOM 0 H GLY X 2 69.195 -8.144 1.977 1.00 1.00 H new ATOM 0 HA2 GLY X 2 67.856 -9.343 0.514 1.00 1.00 H new ATOM 0 HA3 GLY X 2 68.818 -8.788 -0.842 1.00 1.00 H new ATOM 27 N GLN X 3 70.439 -10.841 1.061 1.00 1.00 N ATOM 28 CA GLN X 3 71.167 -12.143 1.068 1.00 1.00 C ATOM 29 C GLN X 3 71.041 -12.790 2.448 1.00 1.00 C ATOM 30 O GLN X 3 70.722 -12.139 3.423 1.00 1.00 O ATOM 31 CB GLN X 3 72.643 -11.901 0.748 1.00 1.00 C ATOM 32 CG GLN X 3 72.774 -11.341 -0.670 1.00 1.00 C ATOM 33 CD GLN X 3 74.248 -11.074 -0.980 1.00 1.00 C ATOM 34 OE1 GLN X 3 75.111 -11.351 -0.171 1.00 1.00 O ATOM 35 NE2 GLN X 3 74.576 -10.544 -2.126 1.00 1.00 N ATOM 0 H GLN X 3 70.662 -10.217 1.836 1.00 1.00 H new ATOM 0 HA GLN X 3 70.737 -12.806 0.317 1.00 1.00 H new ATOM 0 HB2 GLN X 3 73.072 -11.203 1.467 1.00 1.00 H new ATOM 0 HB3 GLN X 3 73.202 -12.832 0.835 1.00 1.00 H new ATOM 0 HG2 GLN X 3 72.362 -12.047 -1.391 1.00 1.00 H new ATOM 0 HG3 GLN X 3 72.199 -10.419 -0.763 1.00 1.00 H new ATOM 0 HE21 GLN X 3 73.852 -10.311 -2.806 1.00 1.00 H new ATOM 0 HE22 GLN X 3 75.556 -10.363 -2.342 1.00 1.00 H new ATOM 44 N GLU X 4 71.295 -14.067 2.539 1.00 1.00 N ATOM 45 CA GLU X 4 71.197 -14.753 3.859 1.00 1.00 C ATOM 46 C GLU X 4 72.198 -14.132 4.834 1.00 1.00 C ATOM 47 O GLU X 4 73.360 -13.960 4.522 1.00 1.00 O ATOM 48 CB GLU X 4 71.509 -16.241 3.684 1.00 1.00 C ATOM 49 CG GLU X 4 70.370 -16.918 2.920 1.00 1.00 C ATOM 50 CD GLU X 4 70.721 -18.386 2.677 1.00 1.00 C ATOM 51 OE1 GLU X 4 71.802 -18.790 3.070 1.00 1.00 O ATOM 52 OE2 GLU X 4 69.900 -19.083 2.101 1.00 1.00 O ATOM 0 H GLU X 4 71.566 -14.664 1.758 1.00 1.00 H new ATOM 0 HA GLU X 4 70.188 -14.637 4.254 1.00 1.00 H new ATOM 0 HB2 GLU X 4 72.447 -16.365 3.143 1.00 1.00 H new ATOM 0 HB3 GLU X 4 71.638 -16.713 4.658 1.00 1.00 H new ATOM 0 HG2 GLU X 4 69.443 -16.844 3.488 1.00 1.00 H new ATOM 0 HG3 GLU X 4 70.203 -16.411 1.970 1.00 1.00 H new ATOM 59 N LEU X 5 71.758 -13.796 6.016 1.00 1.00 N ATOM 60 CA LEU X 5 72.685 -13.187 7.010 1.00 1.00 C ATOM 61 C LEU X 5 73.428 -14.291 7.763 1.00 1.00 C ATOM 62 O LEU X 5 72.988 -14.760 8.791 1.00 1.00 O ATOM 63 CB LEU X 5 71.884 -12.343 8.008 1.00 1.00 C ATOM 64 CG LEU X 5 71.272 -11.141 7.284 1.00 1.00 C ATOM 65 CD1 LEU X 5 70.315 -10.410 8.227 1.00 1.00 C ATOM 66 CD2 LEU X 5 72.384 -10.182 6.843 1.00 1.00 C ATOM 0 H LEU X 5 70.797 -13.917 6.336 1.00 1.00 H new ATOM 0 HA LEU X 5 73.404 -12.554 6.490 1.00 1.00 H new ATOM 0 HB2 LEU X 5 71.098 -12.946 8.462 1.00 1.00 H new ATOM 0 HB3 LEU X 5 72.532 -12.003 8.816 1.00 1.00 H new ATOM 0 HG LEU X 5 70.726 -11.489 6.407 1.00 1.00 H new ATOM 0 HD11 LEU X 5 69.879 -9.554 7.711 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.521 -11.089 8.538 1.00 1.00 H new ATOM 0 HD13 LEU X 5 70.862 -10.065 9.105 1.00 1.00 H new ATOM 0 HD21 LEU X 5 71.945 -9.328 6.328 1.00 1.00 H new ATOM 0 HD22 LEU X 5 72.933 -9.835 7.718 1.00 1.00 H new ATOM 0 HD23 LEU X 5 73.066 -10.701 6.169 1.00 1.00 H new ATOM 78 N SER X 6 74.556 -14.707 7.256 1.00 1.00 N ATOM 79 CA SER X 6 75.334 -15.779 7.939 1.00 1.00 C ATOM 80 C SER X 6 76.181 -15.165 9.055 1.00 1.00 C ATOM 81 O SER X 6 76.231 -13.962 9.221 1.00 1.00 O ATOM 82 CB SER X 6 76.250 -16.470 6.928 1.00 1.00 C ATOM 83 OG SER X 6 76.984 -15.486 6.211 1.00 1.00 O ATOM 0 H SER X 6 74.973 -14.350 6.396 1.00 1.00 H new ATOM 0 HA SER X 6 74.646 -16.509 8.365 1.00 1.00 H new ATOM 0 HB2 SER X 6 76.933 -17.147 7.442 1.00 1.00 H new ATOM 0 HB3 SER X 6 75.660 -17.074 6.239 1.00 1.00 H new ATOM 0 HG SER X 6 77.574 -15.925 5.563 1.00 1.00 H new ATOM 89 N GLN X 7 76.850 -15.982 9.821 1.00 1.00 N ATOM 90 CA GLN X 7 77.691 -15.441 10.922 1.00 1.00 C ATOM 91 C GLN X 7 78.647 -14.388 10.357 1.00 1.00 C ATOM 92 O GLN X 7 78.879 -13.359 10.963 1.00 1.00 O ATOM 93 CB GLN X 7 78.503 -16.580 11.553 1.00 1.00 C ATOM 94 CG GLN X 7 79.329 -16.044 12.727 1.00 1.00 C ATOM 95 CD GLN X 7 78.389 -15.506 13.808 1.00 1.00 C ATOM 96 OE1 GLN X 7 77.295 -16.003 13.979 1.00 1.00 O ATOM 97 NE2 GLN X 7 78.774 -14.503 14.549 1.00 1.00 N ATOM 0 H GLN X 7 76.850 -16.998 9.731 1.00 1.00 H new ATOM 0 HA GLN X 7 77.052 -14.987 11.680 1.00 1.00 H new ATOM 0 HB2 GLN X 7 77.833 -17.368 11.898 1.00 1.00 H new ATOM 0 HB3 GLN X 7 79.161 -17.025 10.807 1.00 1.00 H new ATOM 0 HG2 GLN X 7 79.956 -16.836 13.136 1.00 1.00 H new ATOM 0 HG3 GLN X 7 79.997 -15.254 12.385 1.00 1.00 H new ATOM 0 HE21 GLN X 7 79.694 -14.086 14.405 1.00 1.00 H new ATOM 0 HE22 GLN X 7 78.155 -14.136 15.272 1.00 1.00 H new ATOM 106 N HIS X 8 79.210 -14.637 9.208 1.00 1.00 N ATOM 107 CA HIS X 8 80.153 -13.649 8.609 1.00 1.00 C ATOM 108 C HIS X 8 79.376 -12.404 8.172 1.00 1.00 C ATOM 109 O HIS X 8 79.801 -11.287 8.392 1.00 1.00 O ATOM 110 CB HIS X 8 80.837 -14.273 7.392 1.00 1.00 C ATOM 111 CG HIS X 8 80.979 -15.754 7.603 1.00 1.00 C ATOM 112 ND1 HIS X 8 82.098 -16.313 8.205 1.00 1.00 N ATOM 113 CD2 HIS X 8 80.152 -16.807 7.299 1.00 1.00 C ATOM 114 CE1 HIS X 8 81.916 -17.646 8.243 1.00 1.00 C ATOM 115 NE2 HIS X 8 80.746 -17.996 7.705 1.00 1.00 N ATOM 0 H HIS X 8 79.059 -15.482 8.657 1.00 1.00 H new ATOM 0 HA HIS X 8 80.905 -13.369 9.347 1.00 1.00 H new ATOM 0 HB2 HIS X 8 80.253 -14.077 6.493 1.00 1.00 H new ATOM 0 HB3 HIS X 8 81.817 -13.821 7.240 1.00 1.00 H new ATOM 0 HD2 HIS X 8 79.188 -16.724 6.818 1.00 1.00 H new ATOM 0 HE1 HIS X 8 82.628 -18.345 8.657 1.00 1.00 H new ATOM 0 HE2 HIS X 8 80.367 -18.938 7.611 1.00 1.00 H new ATOM 123 N GLU X 9 78.242 -12.586 7.551 1.00 1.00 N ATOM 124 CA GLU X 9 77.444 -11.414 7.097 1.00 1.00 C ATOM 125 C GLU X 9 76.963 -10.619 8.312 1.00 1.00 C ATOM 126 O GLU X 9 76.946 -9.406 8.310 1.00 1.00 O ATOM 127 CB GLU X 9 76.238 -11.899 6.291 1.00 1.00 C ATOM 128 CG GLU X 9 76.713 -12.504 4.966 1.00 1.00 C ATOM 129 CD GLU X 9 77.341 -11.412 4.095 1.00 1.00 C ATOM 130 OE1 GLU X 9 77.033 -10.253 4.324 1.00 1.00 O ATOM 131 OE2 GLU X 9 78.122 -11.750 3.223 1.00 1.00 O ATOM 0 H GLU X 9 77.835 -13.497 7.339 1.00 1.00 H new ATOM 0 HA GLU X 9 78.065 -10.774 6.470 1.00 1.00 H new ATOM 0 HB2 GLU X 9 75.681 -12.642 6.862 1.00 1.00 H new ATOM 0 HB3 GLU X 9 75.558 -11.069 6.100 1.00 1.00 H new ATOM 0 HG2 GLU X 9 77.440 -13.294 5.156 1.00 1.00 H new ATOM 0 HG3 GLU X 9 75.874 -12.962 4.443 1.00 1.00 H new ATOM 138 N ARG X 10 76.576 -11.296 9.353 1.00 1.00 N ATOM 139 CA ARG X 10 76.104 -10.590 10.576 1.00 1.00 C ATOM 140 C ARG X 10 77.266 -9.815 11.201 1.00 1.00 C ATOM 141 O ARG X 10 77.090 -8.738 11.737 1.00 1.00 O ATOM 142 CB ARG X 10 75.564 -11.606 11.583 1.00 1.00 C ATOM 143 CG ARG X 10 74.234 -12.169 11.077 1.00 1.00 C ATOM 144 CD ARG X 10 73.734 -13.246 12.043 1.00 1.00 C ATOM 145 NE ARG X 10 72.394 -13.726 11.603 1.00 1.00 N ATOM 146 CZ ARG X 10 71.740 -14.590 12.329 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.260 -15.034 13.440 1.00 1.00 N ATOM 148 NH2 ARG X 10 70.565 -15.011 11.944 1.00 1.00 N ATOM 0 H ARG X 10 76.566 -12.314 9.411 1.00 1.00 H new ATOM 0 HA ARG X 10 75.309 -9.895 10.306 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.283 -12.413 11.723 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.424 -11.132 12.555 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.497 -11.370 10.994 1.00 1.00 H new ATOM 0 HG3 ARG X 10 74.361 -12.591 10.080 1.00 1.00 H new ATOM 0 HD2 ARG X 10 74.438 -14.078 12.073 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.674 -12.843 13.054 1.00 1.00 H new ATOM 0 HE ARG X 10 71.988 -13.379 10.734 1.00 1.00 H new ATOM 0 HH11 ARG X 10 73.178 -14.705 13.741 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.749 -15.710 14.008 1.00 1.00 H new ATOM 0 HH21 ARG X 10 70.158 -14.664 11.075 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.054 -15.687 12.512 1.00 1.00 H new ATOM 162 N TYR X 11 78.448 -10.364 11.157 1.00 1.00 N ATOM 163 CA TYR X 11 79.615 -9.663 11.762 1.00 1.00 C ATOM 164 C TYR X 11 79.834 -8.320 11.066 1.00 1.00 C ATOM 165 O TYR X 11 79.961 -7.292 11.705 1.00 1.00 O ATOM 166 CB TYR X 11 80.867 -10.527 11.600 1.00 1.00 C ATOM 167 CG TYR X 11 82.080 -9.746 12.052 1.00 1.00 C ATOM 168 CD1 TYR X 11 82.320 -9.554 13.417 1.00 1.00 C ATOM 169 CD2 TYR X 11 82.962 -9.215 11.103 1.00 1.00 C ATOM 170 CE1 TYR X 11 83.444 -8.829 13.834 1.00 1.00 C ATOM 171 CE2 TYR X 11 84.085 -8.491 11.520 1.00 1.00 C ATOM 172 CZ TYR X 11 84.326 -8.298 12.886 1.00 1.00 C ATOM 173 OH TYR X 11 85.433 -7.584 13.296 1.00 1.00 O ATOM 0 H TYR X 11 78.656 -11.266 10.729 1.00 1.00 H new ATOM 0 HA TYR X 11 79.420 -9.492 12.821 1.00 1.00 H new ATOM 0 HB2 TYR X 11 80.770 -11.440 12.187 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.982 -10.828 10.559 1.00 1.00 H new ATOM 0 HD1 TYR X 11 81.639 -9.964 14.148 1.00 1.00 H new ATOM 0 HD2 TYR X 11 82.776 -9.364 10.050 1.00 1.00 H new ATOM 0 HE1 TYR X 11 83.630 -8.680 14.887 1.00 1.00 H new ATOM 0 HE2 TYR X 11 84.766 -8.081 10.788 1.00 1.00 H new ATOM 0 HH TYR X 11 85.940 -7.287 12.511 1.00 1.00 H new ATOM 183 N VAL X 12 79.872 -8.318 9.764 1.00 1.00 N ATOM 184 CA VAL X 12 80.081 -7.039 9.027 1.00 1.00 C ATOM 185 C VAL X 12 78.843 -6.155 9.181 1.00 1.00 C ATOM 186 O VAL X 12 78.936 -4.945 9.240 1.00 1.00 O ATOM 187 CB VAL X 12 80.323 -7.330 7.546 1.00 1.00 C ATOM 188 CG1 VAL X 12 81.655 -8.065 7.382 1.00 1.00 C ATOM 189 CG2 VAL X 12 79.192 -8.207 7.013 1.00 1.00 C ATOM 0 H VAL X 12 79.768 -9.146 9.177 1.00 1.00 H new ATOM 0 HA VAL X 12 80.949 -6.523 9.437 1.00 1.00 H new ATOM 0 HB VAL X 12 80.354 -6.393 6.990 1.00 1.00 H new ATOM 0 HG11 VAL X 12 81.828 -8.273 6.326 1.00 1.00 H new ATOM 0 HG12 VAL X 12 82.463 -7.443 7.767 1.00 1.00 H new ATOM 0 HG13 VAL X 12 81.624 -9.003 7.936 1.00 1.00 H new ATOM 0 HG21 VAL X 12 79.361 -8.417 5.957 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.165 -9.144 7.569 1.00 1.00 H new ATOM 0 HG23 VAL X 12 78.241 -7.687 7.132 1.00 1.00 H new ATOM 199 N GLU X 13 77.686 -6.752 9.241 1.00 1.00 N ATOM 200 CA GLU X 13 76.442 -5.949 9.389 1.00 1.00 C ATOM 201 C GLU X 13 76.452 -5.251 10.750 1.00 1.00 C ATOM 202 O GLU X 13 75.983 -4.139 10.890 1.00 1.00 O ATOM 203 CB GLU X 13 75.224 -6.867 9.291 1.00 1.00 C ATOM 204 CG GLU X 13 73.945 -6.032 9.379 1.00 1.00 C ATOM 205 CD GLU X 13 72.727 -6.946 9.244 1.00 1.00 C ATOM 206 OE1 GLU X 13 72.899 -8.149 9.342 1.00 1.00 O ATOM 207 OE2 GLU X 13 71.641 -6.426 9.045 1.00 1.00 O ATOM 0 H GLU X 13 77.548 -7.762 9.194 1.00 1.00 H new ATOM 0 HA GLU X 13 76.392 -5.202 8.596 1.00 1.00 H new ATOM 0 HB2 GLU X 13 75.246 -7.419 8.351 1.00 1.00 H new ATOM 0 HB3 GLU X 13 75.246 -7.604 10.094 1.00 1.00 H new ATOM 0 HG2 GLU X 13 73.910 -5.501 10.330 1.00 1.00 H new ATOM 0 HG3 GLU X 13 73.936 -5.278 8.592 1.00 1.00 H new ATOM 214 N GLN X 14 76.984 -5.893 11.754 1.00 1.00 N ATOM 215 CA GLN X 14 77.028 -5.257 13.102 1.00 1.00 C ATOM 216 C GLN X 14 77.996 -4.075 13.062 1.00 1.00 C ATOM 217 O GLN X 14 77.755 -3.035 13.647 1.00 1.00 O ATOM 218 CB GLN X 14 77.507 -6.273 14.136 1.00 1.00 C ATOM 219 CG GLN X 14 77.383 -5.674 15.539 1.00 1.00 C ATOM 220 CD GLN X 14 75.905 -5.551 15.912 1.00 1.00 C ATOM 221 OE1 GLN X 14 75.122 -6.440 15.640 1.00 1.00 O ATOM 222 NE2 GLN X 14 75.487 -4.482 16.531 1.00 1.00 N ATOM 0 H GLN X 14 77.389 -6.828 11.700 1.00 1.00 H new ATOM 0 HA GLN X 14 76.032 -4.911 13.377 1.00 1.00 H new ATOM 0 HB2 GLN X 14 76.915 -7.186 14.065 1.00 1.00 H new ATOM 0 HB3 GLN X 14 78.543 -6.549 13.937 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.900 -6.304 16.262 1.00 1.00 H new ATOM 0 HG3 GLN X 14 77.860 -4.694 15.571 1.00 1.00 H new ATOM 0 HE21 GLN X 14 76.143 -3.736 16.760 1.00 1.00 H new ATOM 0 HE22 GLN X 14 74.504 -4.392 16.787 1.00 1.00 H new ATOM 231 N LEU X 15 79.091 -4.223 12.371 1.00 1.00 N ATOM 232 CA LEU X 15 80.068 -3.107 12.291 1.00 1.00 C ATOM 233 C LEU X 15 79.394 -1.903 11.633 1.00 1.00 C ATOM 234 O LEU X 15 79.587 -0.773 12.038 1.00 1.00 O ATOM 235 CB LEU X 15 81.279 -3.542 11.455 1.00 1.00 C ATOM 236 CG LEU X 15 82.219 -2.349 11.244 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.646 -1.789 12.602 1.00 1.00 C ATOM 238 CD2 LEU X 15 83.452 -2.805 10.467 1.00 1.00 C ATOM 0 H LEU X 15 79.350 -5.067 11.860 1.00 1.00 H new ATOM 0 HA LEU X 15 80.404 -2.838 13.292 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.809 -4.350 11.959 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.947 -3.930 10.492 1.00 1.00 H new ATOM 0 HG LEU X 15 81.702 -1.573 10.680 1.00 1.00 H new ATOM 0 HD11 LEU X 15 83.314 -0.941 12.452 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.765 -1.463 13.155 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.164 -2.563 13.168 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.121 -1.958 10.316 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.970 -3.581 11.030 1.00 1.00 H new ATOM 0 HD23 LEU X 15 83.146 -3.202 9.499 1.00 1.00 H new ATOM 250 N LYS X 16 78.620 -2.138 10.611 1.00 1.00 N ATOM 251 CA LYS X 16 77.933 -1.014 9.915 1.00 1.00 C ATOM 252 C LYS X 16 77.000 -0.305 10.895 1.00 1.00 C ATOM 253 O LYS X 16 76.902 0.906 10.908 1.00 1.00 O ATOM 254 CB LYS X 16 77.127 -1.558 8.738 1.00 1.00 C ATOM 255 CG LYS X 16 76.522 -0.394 7.952 1.00 1.00 C ATOM 256 CD LYS X 16 75.740 -0.937 6.756 1.00 1.00 C ATOM 257 CE LYS X 16 75.152 0.228 5.959 1.00 1.00 C ATOM 258 NZ LYS X 16 74.381 -0.304 4.799 1.00 1.00 N ATOM 0 H LYS X 16 78.433 -3.064 10.226 1.00 1.00 H new ATOM 0 HA LYS X 16 78.675 -0.306 9.545 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.768 -2.154 8.089 1.00 1.00 H new ATOM 0 HB3 LYS X 16 76.337 -2.217 9.098 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.864 0.190 8.595 1.00 1.00 H new ATOM 0 HG3 LYS X 16 77.310 0.277 7.610 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.395 -1.533 6.120 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.942 -1.596 7.099 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.503 0.828 6.597 1.00 1.00 H new ATOM 0 HE3 LYS X 16 75.950 0.883 5.610 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 73.547 0.295 4.633 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 74.983 -0.302 3.951 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 74.074 -1.277 5.003 1.00 1.00 H new ATOM 272 N GLN X 17 76.314 -1.046 11.720 1.00 1.00 N ATOM 273 CA GLN X 17 75.393 -0.403 12.700 1.00 1.00 C ATOM 274 C GLN X 17 76.182 0.599 13.544 1.00 1.00 C ATOM 275 O GLN X 17 75.756 1.717 13.768 1.00 1.00 O ATOM 276 CB GLN X 17 74.793 -1.476 13.610 1.00 1.00 C ATOM 277 CG GLN X 17 73.819 -2.342 12.808 1.00 1.00 C ATOM 278 CD GLN X 17 73.331 -3.503 13.677 1.00 1.00 C ATOM 279 OE1 GLN X 17 73.489 -3.486 14.881 1.00 1.00 O ATOM 280 NE2 GLN X 17 72.746 -4.522 13.110 1.00 1.00 N ATOM 0 H GLN X 17 76.350 -2.065 11.759 1.00 1.00 H new ATOM 0 HA GLN X 17 74.592 0.113 12.171 1.00 1.00 H new ATOM 0 HB2 GLN X 17 75.585 -2.096 14.030 1.00 1.00 H new ATOM 0 HB3 GLN X 17 74.275 -1.009 14.448 1.00 1.00 H new ATOM 0 HG2 GLN X 17 72.972 -1.742 12.475 1.00 1.00 H new ATOM 0 HG3 GLN X 17 74.309 -2.725 11.913 1.00 1.00 H new ATOM 0 HE21 GLN X 17 72.613 -4.536 12.099 1.00 1.00 H new ATOM 0 HE22 GLN X 17 72.421 -5.305 13.678 1.00 1.00 H new ATOM 289 N ALA X 18 77.345 0.213 14.001 1.00 1.00 N ATOM 290 CA ALA X 18 78.171 1.148 14.819 1.00 1.00 C ATOM 291 C ALA X 18 78.535 2.371 13.973 1.00 1.00 C ATOM 292 O ALA X 18 78.580 3.482 14.459 1.00 1.00 O ATOM 293 CB ALA X 18 79.448 0.439 15.270 1.00 1.00 C ATOM 0 H ALA X 18 77.757 -0.707 13.843 1.00 1.00 H new ATOM 0 HA ALA X 18 77.606 1.465 15.695 1.00 1.00 H new ATOM 0 HB1 ALA X 18 80.052 1.122 15.868 1.00 1.00 H new ATOM 0 HB2 ALA X 18 79.188 -0.434 15.869 1.00 1.00 H new ATOM 0 HB3 ALA X 18 80.017 0.123 14.396 1.00 1.00 H new ATOM 299 N LEU X 19 78.786 2.176 12.709 1.00 1.00 N ATOM 300 CA LEU X 19 79.135 3.326 11.828 1.00 1.00 C ATOM 301 C LEU X 19 77.946 4.285 11.764 1.00 1.00 C ATOM 302 O LEU X 19 78.106 5.489 11.760 1.00 1.00 O ATOM 303 CB LEU X 19 79.469 2.819 10.423 1.00 1.00 C ATOM 304 CG LEU X 19 80.784 2.039 10.461 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.027 1.380 9.102 1.00 1.00 C ATOM 306 CD2 LEU X 19 81.941 2.993 10.777 1.00 1.00 C ATOM 0 H LEU X 19 78.765 1.267 12.246 1.00 1.00 H new ATOM 0 HA LEU X 19 80.004 3.847 12.231 1.00 1.00 H new ATOM 0 HB2 LEU X 19 78.666 2.181 10.055 1.00 1.00 H new ATOM 0 HB3 LEU X 19 79.551 3.658 9.732 1.00 1.00 H new ATOM 0 HG LEU X 19 80.725 1.272 11.234 1.00 1.00 H new ATOM 0 HD11 LEU X 19 81.964 0.824 9.130 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.207 0.698 8.877 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.083 2.148 8.330 1.00 1.00 H new ATOM 0 HD21 LEU X 19 82.876 2.434 10.803 1.00 1.00 H new ATOM 0 HD22 LEU X 19 81.999 3.762 10.007 1.00 1.00 H new ATOM 0 HD23 LEU X 19 81.771 3.462 11.746 1.00 1.00 H new ATOM 318 N LYS X 20 76.752 3.757 11.718 1.00 1.00 N ATOM 319 CA LYS X 20 75.550 4.640 11.659 1.00 1.00 C ATOM 320 C LYS X 20 75.541 5.555 12.884 1.00 1.00 C ATOM 321 O LYS X 20 75.260 6.733 12.791 1.00 1.00 O ATOM 322 CB LYS X 20 74.283 3.783 11.656 1.00 1.00 C ATOM 323 CG LYS X 20 74.173 3.040 10.323 1.00 1.00 C ATOM 324 CD LYS X 20 72.867 2.245 10.289 1.00 1.00 C ATOM 325 CE LYS X 20 72.747 1.519 8.949 1.00 1.00 C ATOM 326 NZ LYS X 20 71.507 0.693 8.941 1.00 1.00 N ATOM 0 H LYS X 20 76.557 2.756 11.719 1.00 1.00 H new ATOM 0 HA LYS X 20 75.581 5.240 10.750 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.311 3.071 12.480 1.00 1.00 H new ATOM 0 HB3 LYS X 20 73.406 4.412 11.808 1.00 1.00 H new ATOM 0 HG2 LYS X 20 74.201 3.749 9.496 1.00 1.00 H new ATOM 0 HG3 LYS X 20 75.023 2.369 10.197 1.00 1.00 H new ATOM 0 HD2 LYS X 20 72.845 1.526 11.108 1.00 1.00 H new ATOM 0 HD3 LYS X 20 72.018 2.914 10.430 1.00 1.00 H new ATOM 0 HE2 LYS X 20 72.721 2.241 8.133 1.00 1.00 H new ATOM 0 HE3 LYS X 20 73.619 0.886 8.787 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 71.517 0.060 8.116 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 71.462 0.126 9.812 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 70.676 1.316 8.889 1.00 1.00 H new ATOM 340 N THR X 21 75.873 5.027 14.029 1.00 1.00 N ATOM 341 CA THR X 21 75.905 5.871 15.258 1.00 1.00 C ATOM 342 C THR X 21 76.916 7.003 15.062 1.00 1.00 C ATOM 343 O THR X 21 76.699 8.123 15.478 1.00 1.00 O ATOM 344 CB THR X 21 76.319 5.014 16.455 1.00 1.00 C ATOM 345 OG1 THR X 21 75.538 3.827 16.477 1.00 1.00 O ATOM 346 CG2 THR X 21 76.099 5.799 17.750 1.00 1.00 C ATOM 0 H THR X 21 76.124 4.048 14.168 1.00 1.00 H new ATOM 0 HA THR X 21 74.916 6.291 15.442 1.00 1.00 H new ATOM 0 HB THR X 21 77.374 4.753 16.369 1.00 1.00 H new ATOM 0 HG1 THR X 21 75.803 3.275 17.242 1.00 1.00 H new ATOM 0 HG21 THR X 21 76.395 5.186 18.602 1.00 1.00 H new ATOM 0 HG22 THR X 21 76.700 6.708 17.731 1.00 1.00 H new ATOM 0 HG23 THR X 21 75.045 6.063 17.841 1.00 1.00 H new ATOM 354 N ARG X 22 78.026 6.718 14.439 1.00 1.00 N ATOM 355 CA ARG X 22 79.050 7.777 14.219 1.00 1.00 C ATOM 356 C ARG X 22 78.524 8.790 13.204 1.00 1.00 C ATOM 357 O ARG X 22 79.043 9.883 13.084 1.00 1.00 O ATOM 358 CB ARG X 22 80.335 7.142 13.682 1.00 1.00 C ATOM 359 CG ARG X 22 80.976 6.286 14.775 1.00 1.00 C ATOM 360 CD ARG X 22 82.218 5.589 14.216 1.00 1.00 C ATOM 361 NE ARG X 22 82.848 4.765 15.287 1.00 1.00 N ATOM 362 CZ ARG X 22 83.873 4.006 15.009 1.00 1.00 C ATOM 363 NH1 ARG X 22 84.343 3.964 13.792 1.00 1.00 N ATOM 364 NH2 ARG X 22 84.427 3.288 15.947 1.00 1.00 N ATOM 0 H ARG X 22 78.268 5.797 14.073 1.00 1.00 H new ATOM 0 HA ARG X 22 79.259 8.280 15.163 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.113 6.529 12.809 1.00 1.00 H new ATOM 0 HB3 ARG X 22 81.029 7.918 13.359 1.00 1.00 H new ATOM 0 HG2 ARG X 22 81.248 6.909 15.627 1.00 1.00 H new ATOM 0 HG3 ARG X 22 80.263 5.546 15.137 1.00 1.00 H new ATOM 0 HD2 ARG X 22 81.945 4.958 13.370 1.00 1.00 H new ATOM 0 HD3 ARG X 22 82.928 6.329 13.846 1.00 1.00 H new ATOM 0 HE ARG X 22 82.478 4.794 16.237 1.00 1.00 H new ATOM 0 HH11 ARG X 22 83.909 4.524 13.058 1.00 1.00 H new ATOM 0 HH12 ARG X 22 85.144 3.371 13.575 1.00 1.00 H new ATOM 0 HH21 ARG X 22 84.059 3.320 16.898 1.00 1.00 H new ATOM 0 HH22 ARG X 22 85.228 2.695 15.729 1.00 1.00 H new ATOM 378 N GLY X 23 77.507 8.432 12.466 1.00 1.00 N ATOM 379 CA GLY X 23 76.951 9.370 11.449 1.00 1.00 C ATOM 380 C GLY X 23 77.348 8.895 10.055 1.00 1.00 C ATOM 381 O GLY X 23 77.908 9.641 9.276 1.00 1.00 O ATOM 0 H GLY X 23 77.037 7.529 12.524 1.00 1.00 H new ATOM 0 HA2 GLY X 23 75.865 9.416 11.535 1.00 1.00 H new ATOM 0 HA3 GLY X 23 77.327 10.378 11.623 1.00 1.00 H new ATOM 385 N VAL X 24 77.069 7.659 9.738 1.00 1.00 N ATOM 386 CA VAL X 24 77.428 7.123 8.391 1.00 1.00 C ATOM 387 C VAL X 24 76.166 6.619 7.695 1.00 1.00 C ATOM 388 O VAL X 24 75.372 5.912 8.278 1.00 1.00 O ATOM 389 CB VAL X 24 78.416 5.971 8.549 1.00 1.00 C ATOM 390 CG1 VAL X 24 78.515 5.199 7.233 1.00 1.00 C ATOM 391 CG2 VAL X 24 79.796 6.528 8.914 1.00 1.00 C ATOM 0 H VAL X 24 76.606 6.994 10.357 1.00 1.00 H new ATOM 0 HA VAL X 24 77.884 7.912 7.794 1.00 1.00 H new ATOM 0 HB VAL X 24 78.070 5.304 9.339 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.221 4.376 7.346 1.00 1.00 H new ATOM 0 HG12 VAL X 24 77.535 4.802 6.969 1.00 1.00 H new ATOM 0 HG13 VAL X 24 78.860 5.867 6.444 1.00 1.00 H new ATOM 0 HG21 VAL X 24 80.502 5.705 9.027 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.140 7.195 8.124 1.00 1.00 H new ATOM 0 HG23 VAL X 24 79.729 7.080 9.851 1.00 1.00 H new ATOM 401 N LYS X 25 75.982 6.973 6.450 1.00 1.00 N ATOM 402 CA LYS X 25 74.775 6.507 5.711 1.00 1.00 C ATOM 403 C LYS X 25 75.197 6.009 4.331 1.00 1.00 C ATOM 404 O LYS X 25 75.357 6.779 3.408 1.00 1.00 O ATOM 405 CB LYS X 25 73.793 7.669 5.556 1.00 1.00 C ATOM 406 CG LYS X 25 73.266 8.077 6.933 1.00 1.00 C ATOM 407 CD LYS X 25 72.285 9.240 6.779 1.00 1.00 C ATOM 408 CE LYS X 25 71.769 9.660 8.156 1.00 1.00 C ATOM 409 NZ LYS X 25 70.844 10.819 8.008 1.00 1.00 N ATOM 0 H LYS X 25 76.617 7.565 5.914 1.00 1.00 H new ATOM 0 HA LYS X 25 74.294 5.699 6.262 1.00 1.00 H new ATOM 0 HB2 LYS X 25 74.287 8.515 5.078 1.00 1.00 H new ATOM 0 HB3 LYS X 25 72.965 7.376 4.910 1.00 1.00 H new ATOM 0 HG2 LYS X 25 72.772 7.231 7.410 1.00 1.00 H new ATOM 0 HG3 LYS X 25 74.094 8.369 7.579 1.00 1.00 H new ATOM 0 HD2 LYS X 25 72.777 10.082 6.291 1.00 1.00 H new ATOM 0 HD3 LYS X 25 71.452 8.944 6.142 1.00 1.00 H new ATOM 0 HE2 LYS X 25 71.252 8.827 8.632 1.00 1.00 H new ATOM 0 HE3 LYS X 25 72.604 9.928 8.803 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 70.493 11.105 8.944 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 71.351 11.615 7.571 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 70.041 10.548 7.405 1.00 1.00 H new ATOM 423 N VAL X 26 75.385 4.723 4.188 1.00 1.00 N ATOM 424 CA VAL X 26 75.805 4.165 2.870 1.00 1.00 C ATOM 425 C VAL X 26 74.945 2.948 2.534 1.00 1.00 C ATOM 426 O VAL X 26 74.280 2.390 3.383 1.00 1.00 O ATOM 427 CB VAL X 26 77.276 3.752 2.938 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.148 4.987 3.188 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.474 2.753 4.083 1.00 1.00 C ATOM 0 H VAL X 26 75.265 4.034 4.930 1.00 1.00 H new ATOM 0 HA VAL X 26 75.677 4.922 2.096 1.00 1.00 H new ATOM 0 HB VAL X 26 77.563 3.290 1.994 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.195 4.689 3.236 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.010 5.700 2.375 1.00 1.00 H new ATOM 0 HG13 VAL X 26 77.859 5.451 4.131 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.522 2.458 4.132 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.183 3.217 5.025 1.00 1.00 H new ATOM 0 HG23 VAL X 26 76.857 1.872 3.908 1.00 1.00 H new ATOM 439 N LYS X 27 74.952 2.533 1.298 1.00 1.00 N ATOM 440 CA LYS X 27 74.132 1.353 0.903 1.00 1.00 C ATOM 441 C LYS X 27 74.782 0.077 1.441 1.00 1.00 C ATOM 442 O LYS X 27 75.988 -0.017 1.554 1.00 1.00 O ATOM 443 CB LYS X 27 74.048 1.278 -0.624 1.00 1.00 C ATOM 444 CG LYS X 27 73.232 2.460 -1.151 1.00 1.00 C ATOM 445 CD LYS X 27 73.188 2.410 -2.680 1.00 1.00 C ATOM 446 CE LYS X 27 72.381 3.598 -3.206 1.00 1.00 C ATOM 447 NZ LYS X 27 72.339 3.549 -4.695 1.00 1.00 N ATOM 0 H LYS X 27 75.490 2.960 0.544 1.00 1.00 H new ATOM 0 HA LYS X 27 73.129 1.453 1.318 1.00 1.00 H new ATOM 0 HB2 LYS X 27 75.049 1.293 -1.055 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.585 0.339 -0.927 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.220 2.426 -0.746 1.00 1.00 H new ATOM 0 HG3 LYS X 27 73.677 3.399 -0.820 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.200 2.436 -3.085 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.736 1.475 -3.011 1.00 1.00 H new ATOM 0 HE2 LYS X 27 71.369 3.572 -2.802 1.00 1.00 H new ATOM 0 HE3 LYS X 27 72.832 4.533 -2.875 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 71.790 4.357 -5.054 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 73.308 3.594 -5.071 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 71.890 2.662 -5.001 1.00 1.00 H new ATOM 461 N TYR X 28 73.992 -0.905 1.776 1.00 1.00 N ATOM 462 CA TYR X 28 74.566 -2.173 2.305 1.00 1.00 C ATOM 463 C TYR X 28 75.420 -2.835 1.220 1.00 1.00 C ATOM 464 O TYR X 28 76.480 -3.375 1.486 1.00 1.00 O ATOM 465 CB TYR X 28 73.434 -3.118 2.714 1.00 1.00 C ATOM 466 CG TYR X 28 72.687 -2.534 3.890 1.00 1.00 C ATOM 467 CD1 TYR X 28 73.119 -2.799 5.195 1.00 1.00 C ATOM 468 CD2 TYR X 28 71.562 -1.728 3.675 1.00 1.00 C ATOM 469 CE1 TYR X 28 72.426 -2.257 6.285 1.00 1.00 C ATOM 470 CE2 TYR X 28 70.870 -1.186 4.765 1.00 1.00 C ATOM 471 CZ TYR X 28 71.303 -1.452 6.070 1.00 1.00 C ATOM 472 OH TYR X 28 70.620 -0.918 7.145 1.00 1.00 O ATOM 0 H TYR X 28 72.975 -0.884 1.706 1.00 1.00 H new ATOM 0 HA TYR X 28 75.186 -1.956 3.175 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.753 -3.270 1.877 1.00 1.00 H new ATOM 0 HB3 TYR X 28 73.839 -4.095 2.977 1.00 1.00 H new ATOM 0 HD1 TYR X 28 73.986 -3.421 5.361 1.00 1.00 H new ATOM 0 HD2 TYR X 28 71.228 -1.524 2.668 1.00 1.00 H new ATOM 0 HE1 TYR X 28 72.759 -2.461 7.292 1.00 1.00 H new ATOM 0 HE2 TYR X 28 70.003 -0.563 4.599 1.00 1.00 H new ATOM 0 HH TYR X 28 69.866 -0.383 6.820 1.00 1.00 H new ATOM 482 N ALA X 29 74.966 -2.798 -0.005 1.00 1.00 N ATOM 483 CA ALA X 29 75.747 -3.427 -1.107 1.00 1.00 C ATOM 484 C ALA X 29 77.153 -2.826 -1.139 1.00 1.00 C ATOM 485 O ALA X 29 78.111 -3.487 -1.488 1.00 1.00 O ATOM 486 CB ALA X 29 75.049 -3.161 -2.442 1.00 1.00 C ATOM 0 H ALA X 29 74.090 -2.360 -0.288 1.00 1.00 H new ATOM 0 HA ALA X 29 75.813 -4.502 -0.940 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.620 -3.621 -3.249 1.00 1.00 H new ATOM 0 HB2 ALA X 29 74.046 -3.586 -2.419 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.984 -2.086 -2.611 1.00 1.00 H new ATOM 492 N ASP X 30 77.288 -1.581 -0.770 1.00 1.00 N ATOM 493 CA ASP X 30 78.634 -0.945 -0.776 1.00 1.00 C ATOM 494 C ASP X 30 79.560 -1.717 0.165 1.00 1.00 C ATOM 495 O ASP X 30 80.705 -1.974 -0.149 1.00 1.00 O ATOM 496 CB ASP X 30 78.514 0.502 -0.297 1.00 1.00 C ATOM 497 CG ASP X 30 79.828 1.231 -0.565 1.00 1.00 C ATOM 498 OD1 ASP X 30 80.843 0.564 -0.687 1.00 1.00 O ATOM 499 OD2 ASP X 30 79.798 2.448 -0.644 1.00 1.00 O ATOM 0 H ASP X 30 76.524 -0.978 -0.465 1.00 1.00 H new ATOM 0 HA ASP X 30 79.043 -0.961 -1.786 1.00 1.00 H new ATOM 0 HB2 ASP X 30 77.695 1.002 -0.814 1.00 1.00 H new ATOM 0 HB3 ASP X 30 78.281 0.527 0.768 1.00 1.00 H new ATOM 504 N LEU X 31 79.072 -2.101 1.313 1.00 1.00 N ATOM 505 CA LEU X 31 79.927 -2.865 2.265 1.00 1.00 C ATOM 506 C LEU X 31 80.344 -4.185 1.623 1.00 1.00 C ATOM 507 O LEU X 31 81.488 -4.589 1.701 1.00 1.00 O ATOM 508 CB LEU X 31 79.135 -3.149 3.547 1.00 1.00 C ATOM 509 CG LEU X 31 79.239 -1.948 4.490 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.672 -1.832 5.021 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.873 -0.668 3.729 1.00 1.00 C ATOM 0 H LEU X 31 78.120 -1.919 1.632 1.00 1.00 H new ATOM 0 HA LEU X 31 80.815 -2.281 2.508 1.00 1.00 H new ATOM 0 HB2 LEU X 31 78.090 -3.345 3.305 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.523 -4.043 4.036 1.00 1.00 H new ATOM 0 HG LEU X 31 78.553 -2.085 5.326 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.743 -0.976 5.692 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.934 -2.741 5.563 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.360 -1.697 4.186 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.947 0.188 4.400 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.559 -0.533 2.892 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.853 -0.747 3.353 1.00 1.00 H new ATOM 523 N LEU X 32 79.431 -4.850 0.971 1.00 1.00 N ATOM 524 CA LEU X 32 79.783 -6.139 0.305 1.00 1.00 C ATOM 525 C LEU X 32 80.800 -5.872 -0.807 1.00 1.00 C ATOM 526 O LEU X 32 81.744 -6.614 -0.991 1.00 1.00 O ATOM 527 CB LEU X 32 78.522 -6.764 -0.294 1.00 1.00 C ATOM 528 CG LEU X 32 77.569 -7.170 0.833 1.00 1.00 C ATOM 529 CD1 LEU X 32 76.259 -7.681 0.236 1.00 1.00 C ATOM 530 CD2 LEU X 32 78.211 -8.274 1.679 1.00 1.00 C ATOM 0 H LEU X 32 78.459 -4.559 0.870 1.00 1.00 H new ATOM 0 HA LEU X 32 80.213 -6.823 1.036 1.00 1.00 H new ATOM 0 HB2 LEU X 32 78.033 -6.054 -0.960 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.785 -7.635 -0.894 1.00 1.00 H new ATOM 0 HG LEU X 32 77.367 -6.304 1.463 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.581 -7.970 1.039 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.799 -6.893 -0.361 1.00 1.00 H new ATOM 0 HD13 LEU X 32 76.460 -8.545 -0.397 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.530 -8.561 2.480 1.00 1.00 H new ATOM 0 HD22 LEU X 32 78.417 -9.140 1.051 1.00 1.00 H new ATOM 0 HD23 LEU X 32 79.143 -7.907 2.109 1.00 1.00 H new ATOM 542 N LYS X 33 80.614 -4.816 -1.552 1.00 1.00 N ATOM 543 CA LYS X 33 81.572 -4.495 -2.646 1.00 1.00 C ATOM 544 C LYS X 33 82.936 -4.160 -2.044 1.00 1.00 C ATOM 545 O LYS X 33 83.965 -4.450 -2.617 1.00 1.00 O ATOM 546 CB LYS X 33 81.056 -3.305 -3.456 1.00 1.00 C ATOM 547 CG LYS X 33 79.828 -3.730 -4.265 1.00 1.00 C ATOM 548 CD LYS X 33 79.327 -2.546 -5.093 1.00 1.00 C ATOM 549 CE LYS X 33 78.149 -2.991 -5.961 1.00 1.00 C ATOM 550 NZ LYS X 33 77.645 -1.830 -6.748 1.00 1.00 N ATOM 0 H LYS X 33 79.838 -4.161 -1.449 1.00 1.00 H new ATOM 0 HA LYS X 33 81.669 -5.357 -3.306 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.798 -2.482 -2.789 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.836 -2.941 -4.124 1.00 1.00 H new ATOM 0 HG2 LYS X 33 80.082 -4.564 -4.920 1.00 1.00 H new ATOM 0 HG3 LYS X 33 79.041 -4.078 -3.596 1.00 1.00 H new ATOM 0 HD2 LYS X 33 79.021 -1.733 -4.435 1.00 1.00 H new ATOM 0 HD3 LYS X 33 80.131 -2.162 -5.721 1.00 1.00 H new ATOM 0 HE2 LYS X 33 78.460 -3.791 -6.632 1.00 1.00 H new ATOM 0 HE3 LYS X 33 77.353 -3.392 -5.334 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.719 -1.535 -6.377 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 78.317 -1.040 -6.670 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 77.547 -2.104 -7.746 1.00 1.00 H new ATOM 564 N PHE X 34 82.953 -3.536 -0.898 1.00 1.00 N ATOM 565 CA PHE X 34 84.254 -3.177 -0.266 1.00 1.00 C ATOM 566 C PHE X 34 85.067 -4.444 -0.006 1.00 1.00 C ATOM 567 O PHE X 34 86.230 -4.528 -0.348 1.00 1.00 O ATOM 568 CB PHE X 34 83.991 -2.462 1.062 1.00 1.00 C ATOM 569 CG PHE X 34 85.291 -2.312 1.819 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.336 -1.559 1.272 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.449 -2.926 3.068 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.541 -1.420 1.972 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.653 -2.787 3.768 1.00 1.00 C ATOM 574 CZ PHE X 34 87.699 -2.033 3.220 1.00 1.00 C ATOM 0 H PHE X 34 82.124 -3.260 -0.373 1.00 1.00 H new ATOM 0 HA PHE X 34 84.812 -2.520 -0.934 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.549 -1.483 0.879 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.275 -3.029 1.657 1.00 1.00 H new ATOM 0 HD1 PHE X 34 86.213 -1.085 0.309 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.642 -3.506 3.491 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.348 -0.840 1.549 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.776 -3.261 4.731 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.628 -1.925 3.761 1.00 1.00 H new ATOM 584 N PHE X 35 84.463 -5.436 0.589 1.00 1.00 N ATOM 585 CA PHE X 35 85.203 -6.697 0.865 1.00 1.00 C ATOM 586 C PHE X 35 85.649 -7.330 -0.454 1.00 1.00 C ATOM 587 O PHE X 35 86.776 -7.761 -0.598 1.00 1.00 O ATOM 588 CB PHE X 35 84.291 -7.674 1.610 1.00 1.00 C ATOM 589 CG PHE X 35 84.019 -7.149 3.000 1.00 1.00 C ATOM 590 CD1 PHE X 35 85.046 -7.125 3.951 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.742 -6.687 3.337 1.00 1.00 C ATOM 592 CE1 PHE X 35 84.795 -6.639 5.241 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.491 -6.201 4.625 1.00 1.00 C ATOM 594 CZ PHE X 35 83.517 -6.176 5.577 1.00 1.00 C ATOM 0 H PHE X 35 83.490 -5.427 0.895 1.00 1.00 H new ATOM 0 HA PHE X 35 86.077 -6.474 1.477 1.00 1.00 H new ATOM 0 HB2 PHE X 35 83.354 -7.799 1.067 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.761 -8.656 1.666 1.00 1.00 H new ATOM 0 HD1 PHE X 35 86.032 -7.481 3.690 1.00 1.00 H new ATOM 0 HD2 PHE X 35 81.950 -6.705 2.603 1.00 1.00 H new ATOM 0 HE1 PHE X 35 85.587 -6.622 5.975 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.505 -5.845 4.885 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.323 -5.800 6.571 1.00 1.00 H new ATOM 604 N ASP X 36 84.774 -7.389 -1.419 1.00 1.00 N ATOM 605 CA ASP X 36 85.149 -8.002 -2.724 1.00 1.00 C ATOM 606 C ASP X 36 86.251 -7.164 -3.373 1.00 1.00 C ATOM 607 O ASP X 36 87.158 -7.688 -3.984 1.00 1.00 O ATOM 608 CB ASP X 36 83.918 -8.033 -3.642 1.00 1.00 C ATOM 609 CG ASP X 36 83.080 -9.290 -3.353 1.00 1.00 C ATOM 610 OD1 ASP X 36 83.634 -10.235 -2.816 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.900 -9.278 -3.665 1.00 1.00 O ATOM 0 H ASP X 36 83.817 -7.040 -1.361 1.00 1.00 H new ATOM 0 HA ASP X 36 85.509 -9.019 -2.566 1.00 1.00 H new ATOM 0 HB2 ASP X 36 83.314 -7.139 -3.485 1.00 1.00 H new ATOM 0 HB3 ASP X 36 84.232 -8.027 -4.686 1.00 1.00 H new ATOM 616 N PHE X 37 86.180 -5.870 -3.244 1.00 1.00 N ATOM 617 CA PHE X 37 87.225 -4.999 -3.850 1.00 1.00 C ATOM 618 C PHE X 37 88.582 -5.317 -3.218 1.00 1.00 C ATOM 619 O PHE X 37 89.585 -5.448 -3.898 1.00 1.00 O ATOM 620 CB PHE X 37 86.875 -3.530 -3.600 1.00 1.00 C ATOM 621 CG PHE X 37 87.899 -2.646 -4.274 1.00 1.00 C ATOM 622 CD1 PHE X 37 87.906 -2.523 -5.668 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.839 -1.948 -3.505 1.00 1.00 C ATOM 624 CE1 PHE X 37 88.854 -1.703 -6.294 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.786 -1.129 -4.130 1.00 1.00 C ATOM 626 CZ PHE X 37 89.793 -1.006 -5.525 1.00 1.00 C ATOM 0 H PHE X 37 85.441 -5.376 -2.744 1.00 1.00 H new ATOM 0 HA PHE X 37 87.273 -5.181 -4.924 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.880 -3.311 -3.987 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.853 -3.328 -2.529 1.00 1.00 H new ATOM 0 HD1 PHE X 37 87.181 -3.060 -6.261 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.833 -2.042 -2.429 1.00 1.00 H new ATOM 0 HE1 PHE X 37 88.860 -1.609 -7.370 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.511 -0.592 -3.537 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.523 -0.373 -6.008 1.00 1.00 H new ATOM 636 N VAL X 38 88.629 -5.432 -1.917 1.00 1.00 N ATOM 637 CA VAL X 38 89.925 -5.727 -1.242 1.00 1.00 C ATOM 638 C VAL X 38 90.451 -7.085 -1.712 1.00 1.00 C ATOM 639 O VAL X 38 91.599 -7.218 -2.085 1.00 1.00 O ATOM 640 CB VAL X 38 89.711 -5.762 0.272 1.00 1.00 C ATOM 641 CG1 VAL X 38 91.018 -6.154 0.964 1.00 1.00 C ATOM 642 CG2 VAL X 38 89.273 -4.379 0.759 1.00 1.00 C ATOM 0 H VAL X 38 87.827 -5.334 -1.294 1.00 1.00 H new ATOM 0 HA VAL X 38 90.649 -4.952 -1.492 1.00 1.00 H new ATOM 0 HB VAL X 38 88.939 -6.493 0.511 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.865 -6.179 2.043 1.00 1.00 H new ATOM 0 HG12 VAL X 38 91.331 -7.139 0.619 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.790 -5.423 0.724 1.00 1.00 H new ATOM 0 HG21 VAL X 38 89.121 -4.405 1.838 1.00 1.00 H new ATOM 0 HG22 VAL X 38 90.045 -3.647 0.519 1.00 1.00 H new ATOM 0 HG23 VAL X 38 88.341 -4.098 0.268 1.00 1.00 H new ATOM 652 N LYS X 39 89.619 -8.089 -1.705 1.00 1.00 N ATOM 653 CA LYS X 39 90.067 -9.434 -2.159 1.00 1.00 C ATOM 654 C LYS X 39 90.381 -9.393 -3.657 1.00 1.00 C ATOM 655 O LYS X 39 91.236 -10.081 -4.148 1.00 1.00 O ATOM 656 CB LYS X 39 88.975 -10.466 -1.888 1.00 1.00 C ATOM 657 CG LYS X 39 88.852 -10.697 -0.380 1.00 1.00 C ATOM 658 CD LYS X 39 87.785 -11.760 -0.113 1.00 1.00 C ATOM 659 CE LYS X 39 87.654 -11.987 1.394 1.00 1.00 C ATOM 660 NZ LYS X 39 88.943 -12.506 1.932 1.00 1.00 N ATOM 0 H LYS X 39 88.646 -8.035 -1.404 1.00 1.00 H new ATOM 0 HA LYS X 39 90.965 -9.716 -1.610 1.00 1.00 H new ATOM 0 HB2 LYS X 39 88.024 -10.119 -2.292 1.00 1.00 H new ATOM 0 HB3 LYS X 39 89.213 -11.403 -2.392 1.00 1.00 H new ATOM 0 HG2 LYS X 39 89.810 -11.017 0.029 1.00 1.00 H new ATOM 0 HG3 LYS X 39 88.587 -9.766 0.121 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.828 -11.442 -0.528 1.00 1.00 H new ATOM 0 HD3 LYS X 39 88.054 -12.692 -0.610 1.00 1.00 H new ATOM 0 HE2 LYS X 39 87.389 -11.054 1.891 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.851 -12.696 1.597 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 88.772 -12.987 2.838 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 89.356 -13.179 1.255 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 89.601 -11.715 2.079 1.00 1.00 H new ATOM 674 N ASP X 40 89.676 -8.593 -4.387 1.00 1.00 N ATOM 675 CA ASP X 40 89.923 -8.490 -5.851 1.00 1.00 C ATOM 676 C ASP X 40 91.277 -7.840 -6.100 1.00 1.00 C ATOM 677 O ASP X 40 91.828 -7.923 -7.180 1.00 1.00 O ATOM 678 CB ASP X 40 88.819 -7.647 -6.500 1.00 1.00 C ATOM 679 CG ASP X 40 87.535 -8.481 -6.628 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.627 -9.690 -6.497 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.488 -7.897 -6.856 1.00 1.00 O ATOM 0 H ASP X 40 88.928 -7.996 -4.034 1.00 1.00 H new ATOM 0 HA ASP X 40 89.919 -9.489 -6.288 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.628 -6.758 -5.900 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.141 -7.305 -7.484 1.00 1.00 H new ATOM 686 N THR X 41 91.796 -7.134 -5.138 1.00 1.00 N ATOM 687 CA THR X 41 93.084 -6.421 -5.366 1.00 1.00 C ATOM 688 C THR X 41 94.162 -7.392 -5.837 1.00 1.00 C ATOM 689 O THR X 41 94.741 -7.213 -6.886 1.00 1.00 O ATOM 690 CB THR X 41 93.544 -5.788 -4.045 1.00 1.00 C ATOM 691 OG1 THR X 41 92.488 -5.014 -3.490 1.00 1.00 O ATOM 692 CG2 THR X 41 94.758 -4.889 -4.297 1.00 1.00 C ATOM 0 H THR X 41 91.389 -7.019 -4.210 1.00 1.00 H new ATOM 0 HA THR X 41 92.930 -5.659 -6.130 1.00 1.00 H new ATOM 0 HB THR X 41 93.818 -6.579 -3.347 1.00 1.00 H new ATOM 0 HG1 THR X 41 91.949 -5.575 -2.895 1.00 1.00 H new ATOM 0 HG21 THR X 41 95.081 -4.442 -3.357 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.571 -5.484 -4.714 1.00 1.00 H new ATOM 0 HG23 THR X 41 94.487 -4.101 -5.000 1.00 1.00 H new ATOM 700 N CYS X 42 94.435 -8.399 -5.080 1.00 1.00 N ATOM 701 CA CYS X 42 95.490 -9.378 -5.474 1.00 1.00 C ATOM 702 C CYS X 42 94.863 -10.723 -5.856 1.00 1.00 C ATOM 703 O CYS X 42 95.041 -11.203 -6.961 1.00 1.00 O ATOM 704 CB CYS X 42 96.453 -9.583 -4.304 1.00 1.00 C ATOM 705 SG CYS X 42 98.067 -8.889 -4.693 1.00 1.00 S ATOM 0 H CYS X 42 93.973 -8.598 -4.193 1.00 1.00 H new ATOM 0 HA CYS X 42 96.028 -8.985 -6.337 1.00 1.00 H new ATOM 0 HB2 CYS X 42 96.053 -9.109 -3.408 1.00 1.00 H new ATOM 0 HB3 CYS X 42 96.550 -10.647 -4.086 1.00 1.00 H new ATOM 0 HG CYS X 42 98.871 -9.070 -3.688 1.00 1.00 H new ATOM 711 N PRO X 43 94.154 -11.338 -4.941 1.00 1.00 N ATOM 712 CA PRO X 43 93.532 -12.665 -5.173 1.00 1.00 C ATOM 713 C PRO X 43 92.892 -12.783 -6.557 1.00 1.00 C ATOM 714 O PRO X 43 93.041 -13.782 -7.229 1.00 1.00 O ATOM 715 CB PRO X 43 92.458 -12.742 -4.087 1.00 1.00 C ATOM 716 CG PRO X 43 92.956 -11.890 -2.972 1.00 1.00 C ATOM 717 CD PRO X 43 93.864 -10.843 -3.577 1.00 1.00 C ATOM 0 HA PRO X 43 94.267 -13.469 -5.133 1.00 1.00 H new ATOM 0 HB2 PRO X 43 91.499 -12.381 -4.458 1.00 1.00 H new ATOM 0 HB3 PRO X 43 92.306 -13.770 -3.758 1.00 1.00 H new ATOM 0 HG2 PRO X 43 92.125 -11.420 -2.446 1.00 1.00 H new ATOM 0 HG3 PRO X 43 93.496 -12.491 -2.241 1.00 1.00 H new ATOM 0 HD2 PRO X 43 93.379 -9.867 -3.605 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.778 -10.728 -2.995 1.00 1.00 H new ATOM 725 N TRP X 44 92.206 -11.765 -6.997 1.00 1.00 N ATOM 726 CA TRP X 44 91.580 -11.819 -8.349 1.00 1.00 C ATOM 727 C TRP X 44 91.676 -10.441 -9.008 1.00 1.00 C ATOM 728 O TRP X 44 92.499 -9.626 -8.648 1.00 1.00 O ATOM 729 CB TRP X 44 90.114 -12.223 -8.213 1.00 1.00 C ATOM 730 CG TRP X 44 90.013 -13.456 -7.380 1.00 1.00 C ATOM 731 CD1 TRP X 44 90.597 -14.641 -7.669 1.00 1.00 C ATOM 732 CD2 TRP X 44 89.295 -13.650 -6.126 1.00 1.00 C ATOM 733 NE1 TRP X 44 90.285 -15.550 -6.673 1.00 1.00 N ATOM 734 CE2 TRP X 44 89.483 -14.986 -5.700 1.00 1.00 C ATOM 735 CE3 TRP X 44 88.506 -12.803 -5.326 1.00 1.00 C ATOM 736 CZ2 TRP X 44 88.909 -15.465 -4.522 1.00 1.00 C ATOM 737 CZ3 TRP X 44 87.926 -13.283 -4.140 1.00 1.00 C ATOM 738 CH2 TRP X 44 88.128 -14.611 -3.739 1.00 1.00 C ATOM 0 H TRP X 44 92.052 -10.899 -6.480 1.00 1.00 H new ATOM 0 HA TRP X 44 92.101 -12.552 -8.965 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.544 -11.414 -7.755 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.682 -12.400 -9.198 1.00 1.00 H new ATOM 0 HD1 TRP X 44 91.208 -14.845 -8.536 1.00 1.00 H new ATOM 0 HE1 TRP X 44 90.608 -16.518 -6.659 1.00 1.00 H new ATOM 0 HE3 TRP X 44 88.345 -11.778 -5.626 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 89.067 -16.489 -4.217 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 87.321 -12.625 -3.534 1.00 1.00 H new ATOM 0 HH2 TRP X 44 87.680 -14.974 -2.826 1.00 1.00 H new ATOM 749 N PHE X 45 90.843 -10.177 -9.975 1.00 1.00 N ATOM 750 CA PHE X 45 90.878 -8.852 -10.654 1.00 1.00 C ATOM 751 C PHE X 45 89.674 -8.724 -11.605 1.00 1.00 C ATOM 752 O PHE X 45 89.812 -8.349 -12.753 1.00 1.00 O ATOM 753 CB PHE X 45 92.173 -8.723 -11.453 1.00 1.00 C ATOM 754 CG PHE X 45 92.654 -7.291 -11.406 1.00 1.00 C ATOM 755 CD1 PHE X 45 93.470 -6.865 -10.351 1.00 1.00 C ATOM 756 CD2 PHE X 45 92.288 -6.393 -12.416 1.00 1.00 C ATOM 757 CE1 PHE X 45 93.920 -5.539 -10.306 1.00 1.00 C ATOM 758 CE2 PHE X 45 92.738 -5.068 -12.371 1.00 1.00 C ATOM 759 CZ PHE X 45 93.554 -4.641 -11.316 1.00 1.00 C ATOM 0 H PHE X 45 90.137 -10.824 -10.326 1.00 1.00 H new ATOM 0 HA PHE X 45 90.832 -8.062 -9.905 1.00 1.00 H new ATOM 0 HB2 PHE X 45 92.934 -9.387 -11.042 1.00 1.00 H new ATOM 0 HB3 PHE X 45 92.007 -9.028 -12.486 1.00 1.00 H new ATOM 0 HD1 PHE X 45 93.752 -7.558 -9.572 1.00 1.00 H new ATOM 0 HD2 PHE X 45 91.659 -6.722 -13.230 1.00 1.00 H new ATOM 0 HE1 PHE X 45 94.549 -5.210 -9.492 1.00 1.00 H new ATOM 0 HE2 PHE X 45 92.456 -4.375 -13.150 1.00 1.00 H new ATOM 0 HZ PHE X 45 93.901 -3.619 -11.281 1.00 1.00 H new ATOM 769 N PRO X 46 88.496 -9.019 -11.123 1.00 1.00 N ATOM 770 CA PRO X 46 87.248 -8.924 -11.932 1.00 1.00 C ATOM 771 C PRO X 46 86.902 -7.473 -12.293 1.00 1.00 C ATOM 772 O PRO X 46 87.714 -6.579 -12.154 1.00 1.00 O ATOM 773 CB PRO X 46 86.166 -9.516 -11.025 1.00 1.00 C ATOM 774 CG PRO X 46 86.707 -9.424 -9.636 1.00 1.00 C ATOM 775 CD PRO X 46 88.226 -9.487 -9.761 1.00 1.00 C ATOM 0 HA PRO X 46 87.348 -9.447 -12.883 1.00 1.00 H new ATOM 0 HB2 PRO X 46 85.231 -8.963 -11.118 1.00 1.00 H new ATOM 0 HB3 PRO X 46 85.953 -10.550 -11.294 1.00 1.00 H new ATOM 0 HG2 PRO X 46 86.395 -8.495 -9.158 1.00 1.00 H new ATOM 0 HG3 PRO X 46 86.334 -10.241 -9.019 1.00 1.00 H new ATOM 0 HD2 PRO X 46 88.713 -8.854 -9.019 1.00 1.00 H new ATOM 0 HD3 PRO X 46 88.596 -10.501 -9.608 1.00 1.00 H new ATOM 783 N GLN X 47 85.707 -7.237 -12.758 1.00 1.00 N ATOM 784 CA GLN X 47 85.312 -5.848 -13.130 1.00 1.00 C ATOM 785 C GLN X 47 84.906 -5.075 -11.871 1.00 1.00 C ATOM 786 O GLN X 47 84.264 -5.606 -10.986 1.00 1.00 O ATOM 787 CB GLN X 47 84.132 -5.897 -14.103 1.00 1.00 C ATOM 788 CG GLN X 47 84.588 -6.519 -15.424 1.00 1.00 C ATOM 789 CD GLN X 47 83.392 -6.646 -16.369 1.00 1.00 C ATOM 790 OE1 GLN X 47 82.314 -6.170 -16.070 1.00 1.00 O ATOM 791 NE2 GLN X 47 83.536 -7.274 -17.504 1.00 1.00 N ATOM 0 H GLN X 47 84.986 -7.945 -12.897 1.00 1.00 H new ATOM 0 HA GLN X 47 86.155 -5.346 -13.606 1.00 1.00 H new ATOM 0 HB2 GLN X 47 83.318 -6.482 -13.675 1.00 1.00 H new ATOM 0 HB3 GLN X 47 83.747 -4.892 -14.275 1.00 1.00 H new ATOM 0 HG2 GLN X 47 85.362 -5.902 -15.881 1.00 1.00 H new ATOM 0 HG3 GLN X 47 85.028 -7.500 -15.243 1.00 1.00 H new ATOM 0 HE21 GLN X 47 84.440 -7.673 -17.755 1.00 1.00 H new ATOM 0 HE22 GLN X 47 82.744 -7.365 -18.140 1.00 1.00 H new ATOM 800 N GLU X 48 85.274 -3.825 -11.785 1.00 1.00 N ATOM 801 CA GLU X 48 84.907 -3.019 -10.586 1.00 1.00 C ATOM 802 C GLU X 48 83.421 -2.657 -10.641 1.00 1.00 C ATOM 803 O GLU X 48 82.908 -2.251 -11.665 1.00 1.00 O ATOM 804 CB GLU X 48 85.745 -1.739 -10.553 1.00 1.00 C ATOM 805 CG GLU X 48 87.200 -2.091 -10.238 1.00 1.00 C ATOM 806 CD GLU X 48 88.049 -0.819 -10.264 1.00 1.00 C ATOM 807 OE1 GLU X 48 87.496 0.234 -10.534 1.00 1.00 O ATOM 808 OE2 GLU X 48 89.240 -0.920 -10.012 1.00 1.00 O ATOM 0 H GLU X 48 85.813 -3.327 -12.494 1.00 1.00 H new ATOM 0 HA GLU X 48 85.102 -3.604 -9.687 1.00 1.00 H new ATOM 0 HB2 GLU X 48 85.683 -1.226 -11.513 1.00 1.00 H new ATOM 0 HB3 GLU X 48 85.354 -1.055 -9.800 1.00 1.00 H new ATOM 0 HG2 GLU X 48 87.267 -2.566 -9.259 1.00 1.00 H new ATOM 0 HG3 GLU X 48 87.578 -2.808 -10.967 1.00 1.00 H new ATOM 815 N GLY X 49 82.725 -2.801 -9.546 1.00 1.00 N ATOM 816 CA GLY X 49 81.272 -2.469 -9.534 1.00 1.00 C ATOM 817 C GLY X 49 81.078 -1.006 -9.128 1.00 1.00 C ATOM 818 O GLY X 49 82.026 -0.285 -8.896 1.00 1.00 O ATOM 0 H GLY X 49 83.101 -3.135 -8.658 1.00 1.00 H new ATOM 0 HA2 GLY X 49 80.842 -2.642 -10.520 1.00 1.00 H new ATOM 0 HA3 GLY X 49 80.746 -3.122 -8.838 1.00 1.00 H new ATOM 822 N THR X 50 79.853 -0.562 -9.038 1.00 1.00 N ATOM 823 CA THR X 50 79.602 0.852 -8.643 1.00 1.00 C ATOM 824 C THR X 50 79.936 1.029 -7.163 1.00 1.00 C ATOM 825 O THR X 50 79.674 0.157 -6.358 1.00 1.00 O ATOM 826 CB THR X 50 78.129 1.197 -8.878 1.00 1.00 C ATOM 827 OG1 THR X 50 77.746 0.769 -10.176 1.00 1.00 O ATOM 828 CG2 THR X 50 77.934 2.710 -8.758 1.00 1.00 C ATOM 0 H THR X 50 79.017 -1.117 -9.221 1.00 1.00 H new ATOM 0 HA THR X 50 80.228 1.514 -9.242 1.00 1.00 H new ATOM 0 HB THR X 50 77.513 0.693 -8.133 1.00 1.00 H new ATOM 0 HG1 THR X 50 76.803 0.988 -10.327 1.00 1.00 H new ATOM 0 HG21 THR X 50 76.885 2.956 -8.925 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.229 3.037 -7.761 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.549 3.216 -9.502 1.00 1.00 H new ATOM 836 N ILE X 51 80.513 2.146 -6.803 1.00 1.00 N ATOM 837 CA ILE X 51 80.863 2.376 -5.377 1.00 1.00 C ATOM 838 C ILE X 51 80.285 3.726 -4.926 1.00 1.00 C ATOM 839 O ILE X 51 80.416 4.731 -5.592 1.00 1.00 O ATOM 840 CB ILE X 51 82.391 2.379 -5.223 1.00 1.00 C ATOM 841 CG1 ILE X 51 82.764 1.821 -3.844 1.00 1.00 C ATOM 842 CG2 ILE X 51 82.931 3.811 -5.358 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.017 2.579 -2.747 1.00 1.00 C ATOM 0 H ILE X 51 80.755 2.907 -7.438 1.00 1.00 H new ATOM 0 HA ILE X 51 80.444 1.582 -4.759 1.00 1.00 H new ATOM 0 HB ILE X 51 82.830 1.758 -6.003 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.519 0.760 -3.795 1.00 1.00 H new ATOM 0 HG13 ILE X 51 83.839 1.907 -3.688 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.015 3.803 -5.247 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.669 4.208 -6.339 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.492 4.440 -4.584 1.00 1.00 H new ATOM 0 HD11 ILE X 51 82.291 2.173 -1.773 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.284 3.635 -2.788 1.00 1.00 H new ATOM 0 HD13 ILE X 51 80.943 2.470 -2.896 1.00 1.00 H new ATOM 855 N ASP X 52 79.655 3.762 -3.788 1.00 1.00 N ATOM 856 CA ASP X 52 79.088 5.045 -3.289 1.00 1.00 C ATOM 857 C ASP X 52 80.220 5.979 -2.836 1.00 1.00 C ATOM 858 O ASP X 52 81.153 5.574 -2.178 1.00 1.00 O ATOM 859 CB ASP X 52 78.161 4.762 -2.108 1.00 1.00 C ATOM 860 CG ASP X 52 77.400 6.036 -1.741 1.00 1.00 C ATOM 861 OD1 ASP X 52 77.812 7.098 -2.177 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.414 5.928 -1.029 1.00 1.00 O ATOM 0 H ASP X 52 79.507 2.957 -3.179 1.00 1.00 H new ATOM 0 HA ASP X 52 78.528 5.526 -4.091 1.00 1.00 H new ATOM 0 HB2 ASP X 52 77.460 3.968 -2.364 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.740 4.412 -1.253 1.00 1.00 H new ATOM 867 N ILE X 53 80.138 7.232 -3.174 1.00 1.00 N ATOM 868 CA ILE X 53 81.203 8.188 -2.762 1.00 1.00 C ATOM 869 C ILE X 53 81.180 8.344 -1.239 1.00 1.00 C ATOM 870 O ILE X 53 82.138 8.760 -0.629 1.00 1.00 O ATOM 871 CB ILE X 53 80.956 9.548 -3.419 1.00 1.00 C ATOM 872 CG1 ILE X 53 80.862 9.370 -4.937 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.117 10.492 -3.095 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.344 10.660 -5.573 1.00 1.00 C ATOM 0 H ILE X 53 79.378 7.638 -3.719 1.00 1.00 H new ATOM 0 HA ILE X 53 82.175 7.808 -3.077 1.00 1.00 H new ATOM 0 HB ILE X 53 80.025 9.969 -3.039 1.00 1.00 H new ATOM 0 HG12 ILE X 53 81.841 9.119 -5.345 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.195 8.542 -5.176 1.00 1.00 H new ATOM 0 HG21 ILE X 53 81.940 11.460 -3.563 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.192 10.619 -2.015 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.047 10.069 -3.476 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.278 10.532 -6.653 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.357 10.892 -5.174 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.028 11.478 -5.346 1.00 1.00 H new ATOM 886 N LYS X 54 80.082 8.031 -0.618 1.00 1.00 N ATOM 887 CA LYS X 54 80.003 8.163 0.865 1.00 1.00 C ATOM 888 C LYS X 54 80.975 7.183 1.519 1.00 1.00 C ATOM 889 O LYS X 54 81.619 7.493 2.503 1.00 1.00 O ATOM 890 CB LYS X 54 78.577 7.853 1.327 1.00 1.00 C ATOM 891 CG LYS X 54 77.597 8.835 0.678 1.00 1.00 C ATOM 892 CD LYS X 54 77.891 10.258 1.162 1.00 1.00 C ATOM 893 CE LYS X 54 76.644 11.122 0.994 1.00 1.00 C ATOM 894 NZ LYS X 54 76.913 12.486 1.530 1.00 1.00 N ATOM 0 H LYS X 54 79.234 7.689 -1.070 1.00 1.00 H new ATOM 0 HA LYS X 54 80.267 9.180 1.154 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.312 6.830 1.059 1.00 1.00 H new ATOM 0 HB3 LYS X 54 78.513 7.925 2.413 1.00 1.00 H new ATOM 0 HG2 LYS X 54 77.683 8.785 -0.407 1.00 1.00 H new ATOM 0 HG3 LYS X 54 76.573 8.560 0.929 1.00 1.00 H new ATOM 0 HD2 LYS X 54 78.196 10.242 2.208 1.00 1.00 H new ATOM 0 HD3 LYS X 54 78.719 10.682 0.595 1.00 1.00 H new ATOM 0 HE2 LYS X 54 76.368 11.181 -0.059 1.00 1.00 H new ATOM 0 HE3 LYS X 54 75.802 10.672 1.520 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 76.065 13.077 1.417 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 77.157 12.421 2.539 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 77.705 12.914 1.009 1.00 1.00 H new ATOM 908 N PHE X 55 81.072 5.994 0.992 1.00 1.00 N ATOM 909 CA PHE X 55 81.990 4.984 1.592 1.00 1.00 C ATOM 910 C PHE X 55 83.405 5.191 1.051 1.00 1.00 C ATOM 911 O PHE X 55 84.354 4.599 1.526 1.00 1.00 O ATOM 912 CB PHE X 55 81.503 3.577 1.240 1.00 1.00 C ATOM 913 CG PHE X 55 82.113 2.574 2.191 1.00 1.00 C ATOM 914 CD1 PHE X 55 81.638 2.476 3.504 1.00 1.00 C ATOM 915 CD2 PHE X 55 83.153 1.743 1.758 1.00 1.00 C ATOM 916 CE1 PHE X 55 82.204 1.547 4.385 1.00 1.00 C ATOM 917 CE2 PHE X 55 83.720 0.814 2.640 1.00 1.00 C ATOM 918 CZ PHE X 55 83.246 0.716 3.953 1.00 1.00 C ATOM 0 H PHE X 55 80.555 5.677 0.172 1.00 1.00 H new ATOM 0 HA PHE X 55 81.999 5.101 2.676 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.415 3.533 1.298 1.00 1.00 H new ATOM 0 HB3 PHE X 55 81.777 3.333 0.214 1.00 1.00 H new ATOM 0 HD1 PHE X 55 80.835 3.117 3.837 1.00 1.00 H new ATOM 0 HD2 PHE X 55 83.518 1.818 0.744 1.00 1.00 H new ATOM 0 HE1 PHE X 55 81.837 1.471 5.398 1.00 1.00 H new ATOM 0 HE2 PHE X 55 84.523 0.173 2.307 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.683 0.000 4.633 1.00 1.00 H new ATOM 928 N TRP X 56 83.557 6.025 0.062 1.00 1.00 N ATOM 929 CA TRP X 56 84.913 6.262 -0.506 1.00 1.00 C ATOM 930 C TRP X 56 85.879 6.657 0.609 1.00 1.00 C ATOM 931 O TRP X 56 87.020 6.242 0.629 1.00 1.00 O ATOM 932 CB TRP X 56 84.846 7.388 -1.540 1.00 1.00 C ATOM 933 CG TRP X 56 86.224 7.878 -1.835 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.299 7.088 -2.053 1.00 1.00 C ATOM 935 CD2 TRP X 56 86.696 9.253 -1.947 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.402 7.889 -2.292 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.081 9.231 -2.238 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.063 10.502 -1.827 1.00 1.00 C ATOM 939 CZ2 TRP X 56 88.812 10.407 -2.402 1.00 1.00 C ATOM 940 CZ3 TRP X 56 86.796 11.689 -1.992 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.168 11.642 -2.279 1.00 1.00 C ATOM 0 H TRP X 56 82.803 6.552 -0.377 1.00 1.00 H new ATOM 0 HA TRP X 56 85.265 5.347 -0.983 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.373 7.029 -2.454 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.231 8.205 -1.163 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.297 6.008 -2.042 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.338 7.532 -2.485 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.007 10.550 -1.607 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 89.868 10.364 -2.623 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.300 12.644 -1.897 1.00 1.00 H new ATOM 0 HH2 TRP X 56 88.726 12.558 -2.405 1.00 1.00 H new ATOM 952 N ARG X 57 85.438 7.456 1.533 1.00 1.00 N ATOM 953 CA ARG X 57 86.335 7.887 2.640 1.00 1.00 C ATOM 954 C ARG X 57 86.770 6.665 3.449 1.00 1.00 C ATOM 955 O ARG X 57 87.890 6.584 3.912 1.00 1.00 O ATOM 956 CB ARG X 57 85.594 8.872 3.549 1.00 1.00 C ATOM 957 CG ARG X 57 84.688 9.772 2.706 1.00 1.00 C ATOM 958 CD ARG X 57 85.527 10.491 1.646 1.00 1.00 C ATOM 959 NE ARG X 57 86.699 11.141 2.299 1.00 1.00 N ATOM 960 CZ ARG X 57 86.557 12.283 2.916 1.00 1.00 C ATOM 961 NH1 ARG X 57 85.385 12.856 2.965 1.00 1.00 N ATOM 962 NH2 ARG X 57 87.586 12.851 3.483 1.00 1.00 N ATOM 0 H ARG X 57 84.491 7.832 1.572 1.00 1.00 H new ATOM 0 HA ARG X 57 87.216 8.376 2.224 1.00 1.00 H new ATOM 0 HB2 ARG X 57 85.000 8.328 4.283 1.00 1.00 H new ATOM 0 HB3 ARG X 57 86.310 9.478 4.104 1.00 1.00 H new ATOM 0 HG2 ARG X 57 83.910 9.177 2.227 1.00 1.00 H new ATOM 0 HG3 ARG X 57 84.186 10.500 3.343 1.00 1.00 H new ATOM 0 HD2 ARG X 57 85.865 9.781 0.891 1.00 1.00 H new ATOM 0 HD3 ARG X 57 84.922 11.238 1.133 1.00 1.00 H new ATOM 0 HE ARG X 57 87.614 10.692 2.264 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.581 12.412 2.522 1.00 1.00 H new ATOM 0 HH12 ARG X 57 85.273 13.748 3.447 1.00 1.00 H new ATOM 0 HH21 ARG X 57 88.501 12.403 3.444 1.00 1.00 H new ATOM 0 HH22 ARG X 57 87.475 13.743 3.965 1.00 1.00 H new ATOM 976 N ARG X 58 85.891 5.721 3.632 1.00 1.00 N ATOM 977 CA ARG X 58 86.258 4.509 4.414 1.00 1.00 C ATOM 978 C ARG X 58 87.282 3.686 3.640 1.00 1.00 C ATOM 979 O ARG X 58 88.247 3.200 4.194 1.00 1.00 O ATOM 980 CB ARG X 58 85.001 3.665 4.655 1.00 1.00 C ATOM 981 CG ARG X 58 83.963 4.486 5.423 1.00 1.00 C ATOM 982 CD ARG X 58 84.360 4.574 6.899 1.00 1.00 C ATOM 983 NE ARG X 58 83.374 5.420 7.626 1.00 1.00 N ATOM 984 CZ ARG X 58 83.564 6.707 7.732 1.00 1.00 C ATOM 985 NH1 ARG X 58 84.619 7.258 7.196 1.00 1.00 N ATOM 986 NH2 ARG X 58 82.700 7.443 8.375 1.00 1.00 N ATOM 0 H ARG X 58 84.936 5.736 3.275 1.00 1.00 H new ATOM 0 HA ARG X 58 86.689 4.810 5.369 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.585 3.336 3.703 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.257 2.768 5.218 1.00 1.00 H new ATOM 0 HG2 ARG X 58 83.889 5.486 4.997 1.00 1.00 H new ATOM 0 HG3 ARG X 58 82.979 4.026 5.328 1.00 1.00 H new ATOM 0 HD2 ARG X 58 84.394 3.577 7.338 1.00 1.00 H new ATOM 0 HD3 ARG X 58 85.360 4.998 6.994 1.00 1.00 H new ATOM 0 HE ARG X 58 82.547 4.992 8.043 1.00 1.00 H new ATOM 0 HH11 ARG X 58 85.295 6.683 6.694 1.00 1.00 H new ATOM 0 HH12 ARG X 58 84.767 8.264 7.279 1.00 1.00 H new ATOM 0 HH21 ARG X 58 81.876 7.013 8.795 1.00 1.00 H new ATOM 0 HH22 ARG X 58 82.848 8.449 8.458 1.00 1.00 H new ATOM 1000 N VAL X 59 87.086 3.530 2.361 1.00 1.00 N ATOM 1001 CA VAL X 59 88.050 2.735 1.553 1.00 1.00 C ATOM 1002 C VAL X 59 89.428 3.398 1.615 1.00 1.00 C ATOM 1003 O VAL X 59 90.432 2.744 1.801 1.00 1.00 O ATOM 1004 CB VAL X 59 87.578 2.687 0.097 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.621 1.963 -0.757 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.247 1.936 0.019 1.00 1.00 C ATOM 0 H VAL X 59 86.300 3.919 1.841 1.00 1.00 H new ATOM 0 HA VAL X 59 88.110 1.722 1.950 1.00 1.00 H new ATOM 0 HB VAL X 59 87.447 3.703 -0.275 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.283 1.930 -1.793 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.570 2.496 -0.702 1.00 1.00 H new ATOM 0 HG13 VAL X 59 88.753 0.947 -0.386 1.00 1.00 H new ATOM 0 HG21 VAL X 59 85.909 1.901 -1.017 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.380 0.921 0.392 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.502 2.451 0.626 1.00 1.00 H new ATOM 1016 N GLY X 60 89.482 4.691 1.459 1.00 1.00 N ATOM 1017 CA GLY X 60 90.796 5.393 1.507 1.00 1.00 C ATOM 1018 C GLY X 60 91.424 5.215 2.891 1.00 1.00 C ATOM 1019 O GLY X 60 92.600 4.938 3.018 1.00 1.00 O ATOM 0 H GLY X 60 88.674 5.293 1.300 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.461 4.994 0.741 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.661 6.453 1.291 1.00 1.00 H new ATOM 1023 N ASP X 61 90.651 5.374 3.928 1.00 1.00 N ATOM 1024 CA ASP X 61 91.207 5.212 5.299 1.00 1.00 C ATOM 1025 C ASP X 61 91.631 3.759 5.514 1.00 1.00 C ATOM 1026 O ASP X 61 92.671 3.483 6.080 1.00 1.00 O ATOM 1027 CB ASP X 61 90.139 5.593 6.333 1.00 1.00 C ATOM 1028 CG ASP X 61 90.151 7.113 6.563 1.00 1.00 C ATOM 1029 OD1 ASP X 61 90.987 7.771 5.966 1.00 1.00 O ATOM 1030 OD2 ASP X 61 89.328 7.587 7.328 1.00 1.00 O ATOM 0 H ASP X 61 89.659 5.609 3.885 1.00 1.00 H new ATOM 0 HA ASP X 61 92.074 5.862 5.416 1.00 1.00 H new ATOM 0 HB2 ASP X 61 89.155 5.277 5.986 1.00 1.00 H new ATOM 0 HB3 ASP X 61 90.328 5.073 7.272 1.00 1.00 H new ATOM 1035 N CYS X 62 90.834 2.826 5.072 1.00 1.00 N ATOM 1036 CA CYS X 62 91.191 1.392 5.257 1.00 1.00 C ATOM 1037 C CYS X 62 92.427 1.057 4.419 1.00 1.00 C ATOM 1038 O CYS X 62 93.389 0.503 4.910 1.00 1.00 O ATOM 1039 CB CYS X 62 90.021 0.517 4.806 1.00 1.00 C ATOM 1040 SG CYS X 62 88.865 0.296 6.183 1.00 1.00 S ATOM 0 H CYS X 62 89.951 2.995 4.591 1.00 1.00 H new ATOM 0 HA CYS X 62 91.406 1.205 6.309 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.512 0.980 3.961 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.387 -0.452 4.466 1.00 1.00 H new ATOM 0 HG CYS X 62 87.774 -0.262 5.748 1.00 1.00 H new ATOM 1046 N PHE X 63 92.411 1.398 3.159 1.00 1.00 N ATOM 1047 CA PHE X 63 93.586 1.102 2.292 1.00 1.00 C ATOM 1048 C PHE X 63 94.815 1.836 2.826 1.00 1.00 C ATOM 1049 O PHE X 63 95.890 1.279 2.923 1.00 1.00 O ATOM 1050 CB PHE X 63 93.296 1.564 0.863 1.00 1.00 C ATOM 1051 CG PHE X 63 92.672 0.430 0.082 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.521 -0.204 0.564 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.248 0.013 -1.124 1.00 1.00 C ATOM 1054 CE1 PHE X 63 90.945 -1.256 -0.161 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.673 -1.038 -1.848 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.522 -1.673 -1.367 1.00 1.00 C ATOM 0 H PHE X 63 91.635 1.869 2.693 1.00 1.00 H new ATOM 0 HA PHE X 63 93.776 0.029 2.295 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.625 2.423 0.877 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.218 1.888 0.380 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.077 0.117 1.494 1.00 1.00 H new ATOM 0 HD2 PHE X 63 94.136 0.502 -1.496 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.056 -1.745 0.210 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.118 -1.359 -2.778 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.079 -2.484 -1.926 1.00 1.00 H new ATOM 1066 N GLN X 64 94.666 3.080 3.180 1.00 1.00 N ATOM 1067 CA GLN X 64 95.825 3.849 3.710 1.00 1.00 C ATOM 1068 C GLN X 64 96.353 3.165 4.972 1.00 1.00 C ATOM 1069 O GLN X 64 97.539 3.159 5.237 1.00 1.00 O ATOM 1070 CB GLN X 64 95.379 5.274 4.052 1.00 1.00 C ATOM 1071 CG GLN X 64 96.577 6.076 4.564 1.00 1.00 C ATOM 1072 CD GLN X 64 96.170 7.538 4.760 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.198 7.991 4.189 1.00 1.00 O ATOM 1074 NE2 GLN X 64 96.878 8.301 5.549 1.00 1.00 N ATOM 0 H GLN X 64 93.790 3.599 3.125 1.00 1.00 H new ATOM 0 HA GLN X 64 96.613 3.886 2.957 1.00 1.00 H new ATOM 0 HB2 GLN X 64 94.956 5.755 3.170 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.595 5.249 4.809 1.00 1.00 H new ATOM 0 HG2 GLN X 64 96.932 5.657 5.506 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.402 6.010 3.855 1.00 1.00 H new ATOM 0 HE21 GLN X 64 97.694 7.921 6.029 1.00 1.00 H new ATOM 0 HE22 GLN X 64 96.615 9.277 5.686 1.00 1.00 H new ATOM 1083 N ASP X 65 95.482 2.603 5.763 1.00 1.00 N ATOM 1084 CA ASP X 65 95.937 1.934 7.013 1.00 1.00 C ATOM 1085 C ASP X 65 96.811 0.729 6.656 1.00 1.00 C ATOM 1086 O ASP X 65 97.869 0.530 7.219 1.00 1.00 O ATOM 1087 CB ASP X 65 94.716 1.463 7.814 1.00 1.00 C ATOM 1088 CG ASP X 65 94.179 2.619 8.673 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.801 3.668 8.669 1.00 1.00 O ATOM 1090 OD2 ASP X 65 93.158 2.433 9.313 1.00 1.00 O ATOM 0 H ASP X 65 94.476 2.578 5.598 1.00 1.00 H new ATOM 0 HA ASP X 65 96.515 2.637 7.613 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.939 1.110 7.136 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.990 0.622 8.450 1.00 1.00 H new ATOM 1095 N TYR X 66 96.378 -0.072 5.722 1.00 1.00 N ATOM 1096 CA TYR X 66 97.182 -1.259 5.323 1.00 1.00 C ATOM 1097 C TYR X 66 98.501 -0.795 4.703 1.00 1.00 C ATOM 1098 O TYR X 66 99.530 -1.418 4.873 1.00 1.00 O ATOM 1099 CB TYR X 66 96.403 -2.091 4.305 1.00 1.00 C ATOM 1100 CG TYR X 66 95.228 -2.752 4.988 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.447 -3.731 5.964 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.920 -2.388 4.644 1.00 1.00 C ATOM 1103 CE1 TYR X 66 94.360 -4.346 6.597 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.833 -3.001 5.277 1.00 1.00 C ATOM 1105 CZ TYR X 66 93.053 -3.981 6.253 1.00 1.00 C ATOM 1106 OH TYR X 66 91.981 -4.586 6.877 1.00 1.00 O ATOM 0 H TYR X 66 95.500 0.046 5.217 1.00 1.00 H new ATOM 0 HA TYR X 66 97.388 -1.869 6.203 1.00 1.00 H new ATOM 0 HB2 TYR X 66 96.054 -1.456 3.491 1.00 1.00 H new ATOM 0 HB3 TYR X 66 97.053 -2.847 3.863 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.455 -4.012 6.229 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.750 -1.634 3.890 1.00 1.00 H new ATOM 0 HE1 TYR X 66 94.530 -5.101 7.350 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.825 -2.718 5.013 1.00 1.00 H new ATOM 0 HH TYR X 66 91.145 -4.217 6.523 1.00 1.00 H new ATOM 1116 N TYR X 67 98.478 0.290 3.980 1.00 1.00 N ATOM 1117 CA TYR X 67 99.732 0.786 3.350 1.00 1.00 C ATOM 1118 C TYR X 67 100.774 1.072 4.431 1.00 1.00 C ATOM 1119 O TYR X 67 101.873 0.574 4.394 1.00 1.00 O ATOM 1120 CB TYR X 67 99.437 2.078 2.584 1.00 1.00 C ATOM 1121 CG TYR X 67 100.704 2.889 2.457 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.684 2.520 1.528 1.00 1.00 C ATOM 1123 CD2 TYR X 67 100.898 4.012 3.270 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.858 3.273 1.414 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.072 4.765 3.156 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.053 4.395 2.227 1.00 1.00 C ATOM 1127 OH TYR X 67 104.210 5.137 2.114 1.00 1.00 O ATOM 0 H TYR X 67 97.647 0.853 3.799 1.00 1.00 H new ATOM 0 HA TYR X 67 100.116 0.029 2.666 1.00 1.00 H new ATOM 0 HB2 TYR X 67 99.041 1.845 1.595 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.673 2.656 3.105 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.534 1.655 0.900 1.00 1.00 H new ATOM 0 HD2 TYR X 67 100.141 4.297 3.986 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.614 2.988 0.698 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.222 5.631 3.784 1.00 1.00 H new ATOM 0 HH TYR X 67 104.184 5.882 2.750 1.00 1.00 H new ATOM 1137 N ASN X 68 100.430 1.853 5.408 1.00 1.00 N ATOM 1138 CA ASN X 68 101.400 2.158 6.494 1.00 1.00 C ATOM 1139 C ASN X 68 101.728 0.875 7.260 1.00 1.00 C ATOM 1140 O ASN X 68 102.836 0.675 7.717 1.00 1.00 O ATOM 1141 CB ASN X 68 100.796 3.186 7.450 1.00 1.00 C ATOM 1142 CG ASN X 68 101.801 3.514 8.557 1.00 1.00 C ATOM 1143 OD1 ASN X 68 102.721 2.759 8.799 1.00 1.00 O ATOM 1144 ND2 ASN X 68 101.664 4.616 9.242 1.00 1.00 N ATOM 0 H ASN X 68 99.517 2.296 5.505 1.00 1.00 H new ATOM 0 HA ASN X 68 102.313 2.565 6.059 1.00 1.00 H new ATOM 0 HB2 ASN X 68 100.532 4.092 6.905 1.00 1.00 H new ATOM 0 HB3 ASN X 68 99.876 2.796 7.885 1.00 1.00 H new ATOM 0 HD21 ASN X 68 102.330 4.843 9.981 1.00 1.00 H new ATOM 0 HD22 ASN X 68 100.891 5.250 9.039 1.00 1.00 H new ATOM 1151 N THR X 69 100.764 0.014 7.425 1.00 1.00 N ATOM 1152 CA THR X 69 101.012 -1.247 8.173 1.00 1.00 C ATOM 1153 C THR X 69 102.012 -2.114 7.416 1.00 1.00 C ATOM 1154 O THR X 69 102.922 -2.669 8.000 1.00 1.00 O ATOM 1155 CB THR X 69 99.696 -2.012 8.339 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.694 -1.130 8.826 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.889 -3.160 9.335 1.00 1.00 C ATOM 0 H THR X 69 99.814 0.130 7.073 1.00 1.00 H new ATOM 0 HA THR X 69 101.420 -1.005 9.154 1.00 1.00 H new ATOM 0 HB THR X 69 99.390 -2.417 7.374 1.00 1.00 H new ATOM 0 HG1 THR X 69 98.169 -0.784 8.074 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.951 -3.703 9.451 1.00 1.00 H new ATOM 0 HG22 THR X 69 100.657 -3.839 8.964 1.00 1.00 H new ATOM 0 HG23 THR X 69 100.197 -2.757 10.300 1.00 1.00 H new ATOM 1165 N PHE X 70 101.836 -2.252 6.128 1.00 1.00 N ATOM 1166 CA PHE X 70 102.767 -3.102 5.332 1.00 1.00 C ATOM 1167 C PHE X 70 103.439 -2.263 4.250 1.00 1.00 C ATOM 1168 O PHE X 70 104.647 -2.257 4.126 1.00 1.00 O ATOM 1169 CB PHE X 70 101.964 -4.229 4.673 1.00 1.00 C ATOM 1170 CG PHE X 70 101.492 -5.202 5.729 1.00 1.00 C ATOM 1171 CD1 PHE X 70 102.336 -6.235 6.154 1.00 1.00 C ATOM 1172 CD2 PHE X 70 100.213 -5.070 6.283 1.00 1.00 C ATOM 1173 CE1 PHE X 70 101.901 -7.137 7.134 1.00 1.00 C ATOM 1174 CE2 PHE X 70 99.778 -5.970 7.263 1.00 1.00 C ATOM 1175 CZ PHE X 70 100.622 -7.004 7.688 1.00 1.00 C ATOM 0 H PHE X 70 101.087 -1.812 5.593 1.00 1.00 H new ATOM 0 HA PHE X 70 103.532 -3.518 5.987 1.00 1.00 H new ATOM 0 HB2 PHE X 70 101.109 -3.815 4.138 1.00 1.00 H new ATOM 0 HB3 PHE X 70 102.580 -4.746 3.938 1.00 1.00 H new ATOM 0 HD1 PHE X 70 103.323 -6.337 5.726 1.00 1.00 H new ATOM 0 HD2 PHE X 70 99.562 -4.274 5.954 1.00 1.00 H new ATOM 0 HE1 PHE X 70 102.552 -7.934 7.462 1.00 1.00 H new ATOM 0 HE2 PHE X 70 98.792 -5.867 7.691 1.00 1.00 H new ATOM 0 HZ PHE X 70 100.286 -7.699 8.443 1.00 1.00 H new ATOM 1185 N GLY X 71 102.667 -1.557 3.469 1.00 1.00 N ATOM 1186 CA GLY X 71 103.264 -0.724 2.385 1.00 1.00 C ATOM 1187 C GLY X 71 102.411 -0.848 1.121 1.00 1.00 C ATOM 1188 O GLY X 71 101.283 -1.299 1.162 1.00 1.00 O ATOM 0 H GLY X 71 101.650 -1.521 3.534 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.318 0.318 2.700 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.284 -1.049 2.182 1.00 1.00 H new ATOM 1192 N PRO X 72 102.956 -0.450 0.005 1.00 1.00 N ATOM 1193 CA PRO X 72 102.254 -0.513 -1.308 1.00 1.00 C ATOM 1194 C PRO X 72 102.001 -1.956 -1.753 1.00 1.00 C ATOM 1195 O PRO X 72 101.151 -2.221 -2.577 1.00 1.00 O ATOM 1196 CB PRO X 72 103.194 0.200 -2.288 1.00 1.00 C ATOM 1197 CG PRO X 72 104.264 0.841 -1.461 1.00 1.00 C ATOM 1198 CD PRO X 72 104.308 0.095 -0.133 1.00 1.00 C ATOM 0 HA PRO X 72 101.270 -0.047 -1.256 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.624 -0.507 -2.997 1.00 1.00 H new ATOM 0 HB3 PRO X 72 102.654 0.947 -2.870 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.228 0.785 -1.967 1.00 1.00 H new ATOM 0 HG3 PRO X 72 104.048 1.898 -1.303 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.059 -0.695 -0.142 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.557 0.762 0.693 1.00 1.00 H new ATOM 1206 N GLU X 73 102.741 -2.890 -1.217 1.00 1.00 N ATOM 1207 CA GLU X 73 102.541 -4.313 -1.616 1.00 1.00 C ATOM 1208 C GLU X 73 101.085 -4.711 -1.372 1.00 1.00 C ATOM 1209 O GLU X 73 100.405 -5.184 -2.258 1.00 1.00 O ATOM 1210 CB GLU X 73 103.460 -5.210 -0.784 1.00 1.00 C ATOM 1211 CG GLU X 73 104.911 -5.015 -1.228 1.00 1.00 C ATOM 1212 CD GLU X 73 105.833 -5.871 -0.356 1.00 1.00 C ATOM 1213 OE1 GLU X 73 105.320 -6.589 0.487 1.00 1.00 O ATOM 1214 OE2 GLU X 73 107.035 -5.795 -0.546 1.00 1.00 O ATOM 0 H GLU X 73 103.472 -2.730 -0.524 1.00 1.00 H new ATOM 0 HA GLU X 73 102.778 -4.430 -2.673 1.00 1.00 H new ATOM 0 HB2 GLU X 73 103.358 -4.970 0.274 1.00 1.00 H new ATOM 0 HB3 GLU X 73 103.170 -6.254 -0.903 1.00 1.00 H new ATOM 0 HG2 GLU X 73 105.022 -5.294 -2.276 1.00 1.00 H new ATOM 0 HG3 GLU X 73 105.189 -3.964 -1.147 1.00 1.00 H new ATOM 1221 N LYS X 74 100.601 -4.512 -0.178 1.00 1.00 N ATOM 1222 CA LYS X 74 99.188 -4.863 0.121 1.00 1.00 C ATOM 1223 C LYS X 74 98.254 -3.969 -0.690 1.00 1.00 C ATOM 1224 O LYS X 74 97.216 -4.400 -1.152 1.00 1.00 O ATOM 1225 CB LYS X 74 98.921 -4.676 1.617 1.00 1.00 C ATOM 1226 CG LYS X 74 99.775 -5.658 2.423 1.00 1.00 C ATOM 1227 CD LYS X 74 99.342 -7.095 2.120 1.00 1.00 C ATOM 1228 CE LYS X 74 99.698 -7.994 3.300 1.00 1.00 C ATOM 1229 NZ LYS X 74 99.302 -9.396 2.989 1.00 1.00 N ATOM 0 H LYS X 74 101.125 -4.120 0.604 1.00 1.00 H new ATOM 0 HA LYS X 74 99.007 -5.904 -0.149 1.00 1.00 H new ATOM 0 HB2 LYS X 74 99.152 -3.652 1.912 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.865 -4.839 1.830 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.828 -5.526 2.175 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.671 -5.454 3.489 1.00 1.00 H new ATOM 0 HD2 LYS X 74 98.269 -7.131 1.933 1.00 1.00 H new ATOM 0 HD3 LYS X 74 99.835 -7.452 1.216 1.00 1.00 H new ATOM 0 HE2 LYS X 74 100.768 -7.942 3.501 1.00 1.00 H new ATOM 0 HE3 LYS X 74 99.188 -7.651 4.200 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 99.544 -10.011 3.792 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 98.277 -9.437 2.817 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 99.808 -9.720 2.140 1.00 1.00 H new ATOM 1243 N VAL X 75 98.611 -2.728 -0.857 1.00 1.00 N ATOM 1244 CA VAL X 75 97.746 -1.799 -1.636 1.00 1.00 C ATOM 1245 C VAL X 75 98.629 -0.842 -2.436 1.00 1.00 C ATOM 1246 O VAL X 75 98.864 0.283 -2.045 1.00 1.00 O ATOM 1247 CB VAL X 75 96.863 -1.002 -0.682 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.962 -1.959 0.099 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.740 -0.217 0.290 1.00 1.00 C ATOM 0 H VAL X 75 99.467 -2.315 -0.487 1.00 1.00 H new ATOM 0 HA VAL X 75 97.115 -2.371 -2.317 1.00 1.00 H new ATOM 0 HB VAL X 75 96.246 -0.308 -1.253 1.00 1.00 H new ATOM 0 HG11 VAL X 75 95.331 -1.389 0.781 1.00 1.00 H new ATOM 0 HG12 VAL X 75 95.334 -2.517 -0.596 1.00 1.00 H new ATOM 0 HG13 VAL X 75 96.578 -2.654 0.670 1.00 1.00 H new ATOM 0 HG21 VAL X 75 97.108 0.352 0.972 1.00 1.00 H new ATOM 0 HG22 VAL X 75 98.359 -0.909 0.861 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.380 0.467 -0.268 1.00 1.00 H new ATOM 1259 N PRO X 76 99.115 -1.289 -3.558 1.00 1.00 N ATOM 1260 CA PRO X 76 99.996 -0.474 -4.446 1.00 1.00 C ATOM 1261 C PRO X 76 99.316 0.816 -4.913 1.00 1.00 C ATOM 1262 O PRO X 76 98.107 0.911 -4.958 1.00 1.00 O ATOM 1263 CB PRO X 76 100.269 -1.395 -5.642 1.00 1.00 C ATOM 1264 CG PRO X 76 99.984 -2.773 -5.153 1.00 1.00 C ATOM 1265 CD PRO X 76 98.885 -2.629 -4.115 1.00 1.00 C ATOM 0 HA PRO X 76 100.900 -0.153 -3.929 1.00 1.00 H new ATOM 0 HB2 PRO X 76 99.632 -1.139 -6.489 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.301 -1.304 -5.981 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.666 -3.419 -5.971 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.875 -3.225 -4.718 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.895 -2.713 -4.564 1.00 1.00 H new ATOM 0 HD3 PRO X 76 98.954 -3.400 -3.348 1.00 1.00 H new ATOM 1273 N VAL X 77 100.086 1.814 -5.251 1.00 1.00 N ATOM 1274 CA VAL X 77 99.485 3.098 -5.712 1.00 1.00 C ATOM 1275 C VAL X 77 98.484 2.814 -6.833 1.00 1.00 C ATOM 1276 O VAL X 77 97.730 3.676 -7.241 1.00 1.00 O ATOM 1277 CB VAL X 77 100.587 4.018 -6.241 1.00 1.00 C ATOM 1278 CG1 VAL X 77 99.957 5.247 -6.896 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.483 4.462 -5.083 1.00 1.00 C ATOM 0 H VAL X 77 101.106 1.796 -5.228 1.00 1.00 H new ATOM 0 HA VAL X 77 98.977 3.581 -4.878 1.00 1.00 H new ATOM 0 HB VAL X 77 101.184 3.480 -6.977 1.00 1.00 H new ATOM 0 HG11 VAL X 77 100.743 5.902 -7.272 1.00 1.00 H new ATOM 0 HG12 VAL X 77 99.320 4.932 -7.723 1.00 1.00 H new ATOM 0 HG13 VAL X 77 99.358 5.785 -6.161 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.268 5.117 -5.461 1.00 1.00 H new ATOM 0 HG22 VAL X 77 100.886 4.999 -4.346 1.00 1.00 H new ATOM 0 HG23 VAL X 77 101.935 3.587 -4.616 1.00 1.00 H new ATOM 1289 N THR X 78 98.472 1.611 -7.339 1.00 1.00 N ATOM 1290 CA THR X 78 97.522 1.275 -8.436 1.00 1.00 C ATOM 1291 C THR X 78 96.085 1.431 -7.936 1.00 1.00 C ATOM 1292 O THR X 78 95.196 1.792 -8.679 1.00 1.00 O ATOM 1293 CB THR X 78 97.758 -0.169 -8.895 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.331 -0.314 -10.240 1.00 1.00 O ATOM 1295 CG2 THR X 78 96.976 -1.133 -7.999 1.00 1.00 C ATOM 0 H THR X 78 99.079 0.847 -7.040 1.00 1.00 H new ATOM 0 HA THR X 78 97.685 1.950 -9.276 1.00 1.00 H new ATOM 0 HB THR X 78 98.821 -0.400 -8.825 1.00 1.00 H new ATOM 0 HG1 THR X 78 96.353 -0.362 -10.269 1.00 1.00 H new ATOM 0 HG21 THR X 78 97.147 -2.157 -8.330 1.00 1.00 H new ATOM 0 HG22 THR X 78 97.311 -1.024 -6.968 1.00 1.00 H new ATOM 0 HG23 THR X 78 95.912 -0.905 -8.061 1.00 1.00 H new ATOM 1303 N ALA X 79 95.850 1.149 -6.684 1.00 1.00 N ATOM 1304 CA ALA X 79 94.471 1.268 -6.140 1.00 1.00 C ATOM 1305 C ALA X 79 93.985 2.705 -6.318 1.00 1.00 C ATOM 1306 O ALA X 79 92.872 2.947 -6.740 1.00 1.00 O ATOM 1307 CB ALA X 79 94.481 0.914 -4.650 1.00 1.00 C ATOM 0 H ALA X 79 96.555 0.841 -6.015 1.00 1.00 H new ATOM 0 HA ALA X 79 93.805 0.587 -6.670 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.471 1.000 -4.249 1.00 1.00 H new ATOM 0 HB2 ALA X 79 94.836 -0.108 -4.521 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.143 1.598 -4.118 1.00 1.00 H new ATOM 1313 N PHE X 80 94.812 3.664 -6.003 1.00 1.00 N ATOM 1314 CA PHE X 80 94.398 5.087 -6.159 1.00 1.00 C ATOM 1315 C PHE X 80 94.136 5.383 -7.637 1.00 1.00 C ATOM 1316 O PHE X 80 93.171 6.033 -7.989 1.00 1.00 O ATOM 1317 CB PHE X 80 95.514 6.000 -5.647 1.00 1.00 C ATOM 1318 CG PHE X 80 95.634 5.852 -4.149 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.323 4.759 -3.608 1.00 1.00 C ATOM 1320 CD2 PHE X 80 95.060 6.807 -3.302 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.436 4.621 -2.220 1.00 1.00 C ATOM 1322 CE2 PHE X 80 95.173 6.668 -1.913 1.00 1.00 C ATOM 1323 CZ PHE X 80 95.861 5.575 -1.373 1.00 1.00 C ATOM 0 H PHE X 80 95.756 3.524 -5.644 1.00 1.00 H new ATOM 0 HA PHE X 80 93.488 5.266 -5.586 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.459 5.742 -6.126 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.298 7.037 -5.905 1.00 1.00 H new ATOM 0 HD1 PHE X 80 96.767 4.023 -4.262 1.00 1.00 H new ATOM 0 HD2 PHE X 80 94.530 7.651 -3.719 1.00 1.00 H new ATOM 0 HE1 PHE X 80 96.967 3.778 -1.803 1.00 1.00 H new ATOM 0 HE2 PHE X 80 94.729 7.404 -1.259 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.948 5.468 -0.302 1.00 1.00 H new ATOM 1333 N SER X 81 94.993 4.916 -8.506 1.00 1.00 N ATOM 1334 CA SER X 81 94.794 5.175 -9.960 1.00 1.00 C ATOM 1335 C SER X 81 93.477 4.542 -10.422 1.00 1.00 C ATOM 1336 O SER X 81 92.683 5.158 -11.114 1.00 1.00 O ATOM 1337 CB SER X 81 95.956 4.566 -10.746 1.00 1.00 C ATOM 1338 OG SER X 81 95.764 4.811 -12.134 1.00 1.00 O ATOM 0 H SER X 81 95.820 4.368 -8.271 1.00 1.00 H new ATOM 0 HA SER X 81 94.757 6.250 -10.135 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.900 4.999 -10.416 1.00 1.00 H new ATOM 0 HB3 SER X 81 96.014 3.494 -10.559 1.00 1.00 H new ATOM 0 HG SER X 81 96.508 4.423 -12.641 1.00 1.00 H new ATOM 1344 N TYR X 82 93.229 3.322 -10.031 1.00 1.00 N ATOM 1345 CA TYR X 82 91.959 2.655 -10.433 1.00 1.00 C ATOM 1346 C TYR X 82 90.774 3.400 -9.813 1.00 1.00 C ATOM 1347 O TYR X 82 89.732 3.543 -10.421 1.00 1.00 O ATOM 1348 CB TYR X 82 91.966 1.203 -9.955 1.00 1.00 C ATOM 1349 CG TYR X 82 92.657 0.335 -10.982 1.00 1.00 C ATOM 1350 CD1 TYR X 82 92.079 0.153 -12.243 1.00 1.00 C ATOM 1351 CD2 TYR X 82 93.872 -0.289 -10.672 1.00 1.00 C ATOM 1352 CE1 TYR X 82 92.714 -0.651 -13.196 1.00 1.00 C ATOM 1353 CE2 TYR X 82 94.508 -1.094 -11.625 1.00 1.00 C ATOM 1354 CZ TYR X 82 93.928 -1.274 -12.888 1.00 1.00 C ATOM 1355 OH TYR X 82 94.555 -2.068 -13.827 1.00 1.00 O ATOM 0 H TYR X 82 93.851 2.759 -9.451 1.00 1.00 H new ATOM 0 HA TYR X 82 91.868 2.672 -11.519 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.479 1.128 -8.996 1.00 1.00 H new ATOM 0 HB3 TYR X 82 90.945 0.856 -9.799 1.00 1.00 H new ATOM 0 HD1 TYR X 82 91.142 0.634 -12.481 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.318 -0.149 -9.698 1.00 1.00 H new ATOM 0 HE1 TYR X 82 92.267 -0.791 -14.169 1.00 1.00 H new ATOM 0 HE2 TYR X 82 95.445 -1.576 -11.387 1.00 1.00 H new ATOM 0 HH TYR X 82 95.387 -2.423 -13.451 1.00 1.00 H new ATOM 1365 N TRP X 83 90.927 3.877 -8.609 1.00 1.00 N ATOM 1366 CA TRP X 83 89.816 4.619 -7.951 1.00 1.00 C ATOM 1367 C TRP X 83 89.540 5.905 -8.734 1.00 1.00 C ATOM 1368 O TRP X 83 88.412 6.346 -8.848 1.00 1.00 O ATOM 1369 CB TRP X 83 90.204 4.961 -6.513 1.00 1.00 C ATOM 1370 CG TRP X 83 88.971 5.047 -5.673 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.261 6.176 -5.448 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.292 3.985 -4.943 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.189 5.874 -4.628 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.166 4.536 -4.289 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.542 2.610 -4.786 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.317 3.752 -3.507 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.690 1.817 -4.000 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.579 2.387 -3.361 1.00 1.00 C ATOM 0 H TRP X 83 91.776 3.785 -8.051 1.00 1.00 H new ATOM 0 HA TRP X 83 88.919 4.000 -7.937 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.876 4.200 -6.115 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.743 5.908 -6.486 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.493 7.154 -5.844 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.500 6.556 -4.312 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.395 2.161 -5.273 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.463 4.197 -3.018 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.891 0.762 -3.887 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.927 1.772 -2.758 1.00 1.00 H new ATOM 1389 N ASN X 84 90.564 6.518 -9.268 1.00 1.00 N ATOM 1390 CA ASN X 84 90.358 7.779 -10.036 1.00 1.00 C ATOM 1391 C ASN X 84 89.431 7.498 -11.220 1.00 1.00 C ATOM 1392 O ASN X 84 88.507 8.244 -11.491 1.00 1.00 O ATOM 1393 CB ASN X 84 91.709 8.284 -10.554 1.00 1.00 C ATOM 1394 CG ASN X 84 92.465 8.980 -9.420 1.00 1.00 C ATOM 1395 OD1 ASN X 84 91.879 9.347 -8.421 1.00 1.00 O ATOM 1396 ND2 ASN X 84 93.750 9.179 -9.534 1.00 1.00 N ATOM 0 H ASN X 84 91.531 6.200 -9.205 1.00 1.00 H new ATOM 0 HA ASN X 84 89.911 8.535 -9.391 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.297 7.451 -10.939 1.00 1.00 H new ATOM 0 HB3 ASN X 84 91.557 8.976 -11.382 1.00 1.00 H new ATOM 0 HD21 ASN X 84 94.263 9.643 -8.784 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.241 8.871 -10.373 1.00 1.00 H new ATOM 1403 N LEU X 85 89.649 6.407 -11.905 1.00 1.00 N ATOM 1404 CA LEU X 85 88.760 6.060 -13.057 1.00 1.00 C ATOM 1405 C LEU X 85 87.341 5.808 -12.538 1.00 1.00 C ATOM 1406 O LEU X 85 86.365 6.194 -13.150 1.00 1.00 O ATOM 1407 CB LEU X 85 89.284 4.802 -13.745 1.00 1.00 C ATOM 1408 CG LEU X 85 90.634 5.109 -14.398 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.240 3.819 -14.951 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.439 6.113 -15.539 1.00 1.00 C ATOM 0 H LEU X 85 90.400 5.742 -11.719 1.00 1.00 H new ATOM 0 HA LEU X 85 88.748 6.882 -13.772 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.393 3.995 -13.020 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.572 4.461 -14.497 1.00 1.00 H new ATOM 0 HG LEU X 85 91.306 5.536 -13.653 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.201 4.039 -15.416 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.384 3.107 -14.138 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.567 3.390 -15.694 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.402 6.329 -16.002 1.00 1.00 H new ATOM 0 HD22 LEU X 85 89.765 5.690 -16.284 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.011 7.034 -15.144 1.00 1.00 H new ATOM 1422 N ILE X 86 87.219 5.171 -11.405 1.00 1.00 N ATOM 1423 CA ILE X 86 85.867 4.914 -10.836 1.00 1.00 C ATOM 1424 C ILE X 86 85.178 6.242 -10.537 1.00 1.00 C ATOM 1425 O ILE X 86 84.003 6.416 -10.793 1.00 1.00 O ATOM 1426 CB ILE X 86 85.993 4.101 -9.545 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.142 2.615 -9.884 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.749 4.311 -8.680 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.753 1.992 -10.067 1.00 1.00 C ATOM 0 H ILE X 86 87.998 4.818 -10.849 1.00 1.00 H new ATOM 0 HA ILE X 86 85.275 4.351 -11.558 1.00 1.00 H new ATOM 0 HB ILE X 86 86.873 4.434 -8.995 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.729 2.496 -10.795 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.681 2.101 -9.088 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.842 3.731 -7.762 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.652 5.368 -8.433 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.865 3.984 -9.228 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.858 0.934 -10.308 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.182 2.099 -9.145 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.231 2.499 -10.878 1.00 1.00 H new ATOM 1441 N LYS X 87 85.897 7.180 -9.986 1.00 1.00 N ATOM 1442 CA LYS X 87 85.282 8.496 -9.657 1.00 1.00 C ATOM 1443 C LYS X 87 84.660 9.098 -10.918 1.00 1.00 C ATOM 1444 O LYS X 87 83.565 9.623 -10.896 1.00 1.00 O ATOM 1445 CB LYS X 87 86.360 9.444 -9.128 1.00 1.00 C ATOM 1446 CG LYS X 87 86.351 9.425 -7.599 1.00 1.00 C ATOM 1447 CD LYS X 87 87.505 10.279 -7.069 1.00 1.00 C ATOM 1448 CE LYS X 87 87.464 10.300 -5.540 1.00 1.00 C ATOM 1449 NZ LYS X 87 88.653 11.035 -5.023 1.00 1.00 N ATOM 0 H LYS X 87 86.885 7.092 -9.749 1.00 1.00 H new ATOM 0 HA LYS X 87 84.512 8.355 -8.899 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.339 9.142 -9.500 1.00 1.00 H new ATOM 0 HB3 LYS X 87 86.179 10.456 -9.491 1.00 1.00 H new ATOM 0 HG2 LYS X 87 85.401 9.807 -7.226 1.00 1.00 H new ATOM 0 HG3 LYS X 87 86.447 8.401 -7.237 1.00 1.00 H new ATOM 0 HD2 LYS X 87 88.458 9.875 -7.412 1.00 1.00 H new ATOM 0 HD3 LYS X 87 87.430 11.294 -7.459 1.00 1.00 H new ATOM 0 HE2 LYS X 87 86.548 10.780 -5.196 1.00 1.00 H new ATOM 0 HE3 LYS X 87 87.455 9.282 -5.151 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 88.663 10.992 -3.984 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 89.520 10.598 -5.396 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 88.607 12.028 -5.328 1.00 1.00 H new ATOM 1463 N GLU X 88 85.345 9.026 -12.022 1.00 1.00 N ATOM 1464 CA GLU X 88 84.784 9.591 -13.283 1.00 1.00 C ATOM 1465 C GLU X 88 83.575 8.762 -13.720 1.00 1.00 C ATOM 1466 O GLU X 88 82.620 9.279 -14.270 1.00 1.00 O ATOM 1467 CB GLU X 88 85.851 9.551 -14.379 1.00 1.00 C ATOM 1468 CG GLU X 88 86.976 10.529 -14.035 1.00 1.00 C ATOM 1469 CD GLU X 88 88.098 10.404 -15.068 1.00 1.00 C ATOM 1470 OE1 GLU X 88 87.965 9.583 -15.960 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.071 11.131 -14.948 1.00 1.00 O ATOM 0 H GLU X 88 86.268 8.601 -12.109 1.00 1.00 H new ATOM 0 HA GLU X 88 84.476 10.622 -13.113 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.250 8.541 -14.476 1.00 1.00 H new ATOM 0 HB3 GLU X 88 85.409 9.813 -15.341 1.00 1.00 H new ATOM 0 HG2 GLU X 88 86.593 11.549 -14.021 1.00 1.00 H new ATOM 0 HG3 GLU X 88 87.361 10.319 -13.037 1.00 1.00 H new ATOM 1478 N LEU X 89 83.616 7.476 -13.504 1.00 1.00 N ATOM 1479 CA LEU X 89 82.476 6.618 -13.925 1.00 1.00 C ATOM 1480 C LEU X 89 81.223 6.991 -13.128 1.00 1.00 C ATOM 1481 O LEU X 89 80.161 7.186 -13.682 1.00 1.00 O ATOM 1482 CB LEU X 89 82.826 5.148 -13.670 1.00 1.00 C ATOM 1483 CG LEU X 89 81.666 4.252 -14.119 1.00 1.00 C ATOM 1484 CD1 LEU X 89 81.442 4.417 -15.625 1.00 1.00 C ATOM 1485 CD2 LEU X 89 81.997 2.792 -13.812 1.00 1.00 C ATOM 0 H LEU X 89 84.389 6.984 -13.055 1.00 1.00 H new ATOM 0 HA LEU X 89 82.283 6.770 -14.987 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.734 4.882 -14.211 1.00 1.00 H new ATOM 0 HB3 LEU X 89 83.029 4.992 -12.611 1.00 1.00 H new ATOM 0 HG LEU X 89 80.761 4.540 -13.583 1.00 1.00 H new ATOM 0 HD11 LEU X 89 80.617 3.779 -15.942 1.00 1.00 H new ATOM 0 HD12 LEU X 89 81.202 5.457 -15.845 1.00 1.00 H new ATOM 0 HD13 LEU X 89 82.347 4.132 -16.161 1.00 1.00 H new ATOM 0 HD21 LEU X 89 81.171 2.157 -14.132 1.00 1.00 H new ATOM 0 HD22 LEU X 89 82.903 2.505 -14.345 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.153 2.672 -12.740 1.00 1.00 H new ATOM 1497 N ILE X 90 81.341 7.080 -11.835 1.00 1.00 N ATOM 1498 CA ILE X 90 80.162 7.433 -11.000 1.00 1.00 C ATOM 1499 C ILE X 90 79.822 8.909 -11.204 1.00 1.00 C ATOM 1500 O ILE X 90 78.670 9.285 -11.281 1.00 1.00 O ATOM 1501 CB ILE X 90 80.479 7.164 -9.527 1.00 1.00 C ATOM 1502 CG1 ILE X 90 81.665 8.022 -9.098 1.00 1.00 C ATOM 1503 CG2 ILE X 90 80.827 5.686 -9.338 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.135 7.593 -7.711 1.00 1.00 C ATOM 0 H ILE X 90 82.206 6.923 -11.318 1.00 1.00 H new ATOM 0 HA ILE X 90 79.307 6.825 -11.294 1.00 1.00 H new ATOM 0 HB ILE X 90 79.609 7.412 -8.919 1.00 1.00 H new ATOM 0 HG12 ILE X 90 82.479 7.920 -9.816 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.380 9.074 -9.087 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.052 5.497 -8.289 1.00 1.00 H new ATOM 0 HG22 ILE X 90 79.981 5.071 -9.644 1.00 1.00 H new ATOM 0 HG23 ILE X 90 81.696 5.436 -9.947 1.00 1.00 H new ATOM 0 HD11 ILE X 90 82.982 8.208 -7.408 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.322 7.718 -6.996 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.437 6.546 -7.737 1.00 1.00 H new ATOM 1516 N ASP X 91 80.818 9.750 -11.272 1.00 1.00 N ATOM 1517 CA ASP X 91 80.557 11.202 -11.463 1.00 1.00 C ATOM 1518 C ASP X 91 79.946 11.433 -12.847 1.00 1.00 C ATOM 1519 O ASP X 91 78.995 12.172 -13.002 1.00 1.00 O ATOM 1520 CB ASP X 91 81.870 11.977 -11.341 1.00 1.00 C ATOM 1521 CG ASP X 91 82.331 11.980 -9.884 1.00 1.00 C ATOM 1522 OD1 ASP X 91 81.526 11.651 -9.027 1.00 1.00 O ATOM 1523 OD2 ASP X 91 83.482 12.310 -9.648 1.00 1.00 O ATOM 0 H ASP X 91 81.802 9.492 -11.203 1.00 1.00 H new ATOM 0 HA ASP X 91 79.861 11.551 -10.700 1.00 1.00 H new ATOM 0 HB2 ASP X 91 82.633 11.522 -11.973 1.00 1.00 H new ATOM 0 HB3 ASP X 91 81.734 13.000 -11.692 1.00 1.00 H new ATOM 1528 N LYS X 92 80.490 10.805 -13.855 1.00 1.00 N ATOM 1529 CA LYS X 92 79.945 10.988 -15.230 1.00 1.00 C ATOM 1530 C LYS X 92 78.520 10.437 -15.289 1.00 1.00 C ATOM 1531 O LYS X 92 77.632 11.041 -15.858 1.00 1.00 O ATOM 1532 CB LYS X 92 80.825 10.238 -16.232 1.00 1.00 C ATOM 1533 CG LYS X 92 80.340 10.526 -17.654 1.00 1.00 C ATOM 1534 CD LYS X 92 81.254 9.818 -18.657 1.00 1.00 C ATOM 1535 CE LYS X 92 80.795 10.141 -20.081 1.00 1.00 C ATOM 1536 NZ LYS X 92 81.690 9.459 -21.058 1.00 1.00 N ATOM 0 H LYS X 92 81.288 10.174 -13.785 1.00 1.00 H new ATOM 0 HA LYS X 92 79.935 12.049 -15.480 1.00 1.00 H new ATOM 0 HB2 LYS X 92 81.864 10.547 -16.122 1.00 1.00 H new ATOM 0 HB3 LYS X 92 80.788 9.167 -16.034 1.00 1.00 H new ATOM 0 HG2 LYS X 92 79.313 10.182 -17.776 1.00 1.00 H new ATOM 0 HG3 LYS X 92 80.341 11.600 -17.840 1.00 1.00 H new ATOM 0 HD2 LYS X 92 82.286 10.139 -18.514 1.00 1.00 H new ATOM 0 HD3 LYS X 92 81.229 8.741 -18.491 1.00 1.00 H new ATOM 0 HE2 LYS X 92 79.765 9.814 -20.225 1.00 1.00 H new ATOM 0 HE3 LYS X 92 80.814 11.218 -20.245 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 81.379 9.678 -22.026 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 82.666 9.791 -20.925 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 81.650 8.431 -20.906 1.00 1.00 H new ATOM 1550 N LYS X 93 78.291 9.292 -14.705 1.00 1.00 N ATOM 1551 CA LYS X 93 76.923 8.705 -14.732 1.00 1.00 C ATOM 1552 C LYS X 93 76.042 9.414 -13.699 1.00 1.00 C ATOM 1553 O LYS X 93 76.379 9.496 -12.534 1.00 1.00 O ATOM 1554 CB LYS X 93 77.001 7.212 -14.393 1.00 1.00 C ATOM 1555 CG LYS X 93 75.807 6.481 -15.013 1.00 1.00 C ATOM 1556 CD LYS X 93 75.944 4.979 -14.765 1.00 1.00 C ATOM 1557 CE LYS X 93 74.728 4.255 -15.346 1.00 1.00 C ATOM 1558 NZ LYS X 93 74.860 2.790 -15.105 1.00 1.00 N ATOM 0 H LYS X 93 78.992 8.739 -14.211 1.00 1.00 H new ATOM 0 HA LYS X 93 76.494 8.832 -15.726 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.933 6.791 -14.770 1.00 1.00 H new ATOM 0 HB3 LYS X 93 77.003 7.074 -13.312 1.00 1.00 H new ATOM 0 HG2 LYS X 93 74.877 6.849 -14.579 1.00 1.00 H new ATOM 0 HG3 LYS X 93 75.761 6.681 -16.084 1.00 1.00 H new ATOM 0 HD2 LYS X 93 76.858 4.605 -15.226 1.00 1.00 H new ATOM 0 HD3 LYS X 93 76.022 4.781 -13.696 1.00 1.00 H new ATOM 0 HE2 LYS X 93 73.814 4.629 -14.885 1.00 1.00 H new ATOM 0 HE3 LYS X 93 74.650 4.453 -16.415 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 74.034 2.297 -15.500 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 75.724 2.439 -15.565 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 74.914 2.610 -14.082 1.00 1.00 H new ATOM 1572 N GLU X 94 74.913 9.920 -14.116 1.00 1.00 N ATOM 1573 CA GLU X 94 74.009 10.620 -13.158 1.00 1.00 C ATOM 1574 C GLU X 94 73.364 9.591 -12.230 1.00 1.00 C ATOM 1575 O GLU X 94 72.800 8.613 -12.679 1.00 1.00 O ATOM 1576 CB GLU X 94 72.920 11.358 -13.937 1.00 1.00 C ATOM 1577 CG GLU X 94 73.548 12.513 -14.721 1.00 1.00 C ATOM 1578 CD GLU X 94 72.496 13.137 -15.638 1.00 1.00 C ATOM 1579 OE1 GLU X 94 71.369 12.672 -15.618 1.00 1.00 O ATOM 1580 OE2 GLU X 94 72.838 14.067 -16.351 1.00 1.00 O ATOM 0 H GLU X 94 74.577 9.879 -15.078 1.00 1.00 H new ATOM 0 HA GLU X 94 74.582 11.335 -12.568 1.00 1.00 H new ATOM 0 HB2 GLU X 94 72.417 10.672 -14.619 1.00 1.00 H new ATOM 0 HB3 GLU X 94 72.162 11.739 -13.252 1.00 1.00 H new ATOM 0 HG2 GLU X 94 73.938 13.264 -14.034 1.00 1.00 H new ATOM 0 HG3 GLU X 94 74.391 12.151 -15.310 1.00 1.00 H new ATOM 1587 N VAL X 95 73.452 9.800 -10.944 1.00 1.00 N ATOM 1588 CA VAL X 95 72.853 8.829 -9.981 1.00 1.00 C ATOM 1589 C VAL X 95 72.029 9.585 -8.943 1.00 1.00 C ATOM 1590 O VAL X 95 72.072 10.797 -8.874 1.00 1.00 O ATOM 1591 CB VAL X 95 73.969 8.053 -9.284 1.00 1.00 C ATOM 1592 CG1 VAL X 95 74.831 9.018 -8.469 1.00 1.00 C ATOM 1593 CG2 VAL X 95 73.355 7.007 -8.350 1.00 1.00 C ATOM 0 H VAL X 95 73.914 10.603 -10.517 1.00 1.00 H new ATOM 0 HA VAL X 95 72.208 8.133 -10.517 1.00 1.00 H new ATOM 0 HB VAL X 95 74.587 7.557 -10.032 1.00 1.00 H new ATOM 0 HG11 VAL X 95 75.627 8.464 -7.972 1.00 1.00 H new ATOM 0 HG12 VAL X 95 75.268 9.764 -9.132 1.00 1.00 H new ATOM 0 HG13 VAL X 95 74.213 9.515 -7.721 1.00 1.00 H new ATOM 0 HG21 VAL X 95 74.150 6.452 -7.852 1.00 1.00 H new ATOM 0 HG22 VAL X 95 72.737 7.505 -7.603 1.00 1.00 H new ATOM 0 HG23 VAL X 95 72.740 6.318 -8.929 1.00 1.00 H new ATOM 1603 N ASN X 96 71.277 8.879 -8.139 1.00 1.00 N ATOM 1604 CA ASN X 96 70.445 9.552 -7.100 1.00 1.00 C ATOM 1605 C ASN X 96 70.793 8.983 -5.722 1.00 1.00 C ATOM 1606 O ASN X 96 70.136 8.091 -5.225 1.00 1.00 O ATOM 1607 CB ASN X 96 68.968 9.311 -7.394 1.00 1.00 C ATOM 1608 CG ASN X 96 68.130 9.768 -6.198 1.00 1.00 C ATOM 1609 OD1 ASN X 96 67.368 8.998 -5.649 1.00 1.00 O ATOM 1610 ND2 ASN X 96 68.238 10.996 -5.770 1.00 1.00 N ATOM 0 H ASN X 96 71.204 7.862 -8.158 1.00 1.00 H new ATOM 0 HA ASN X 96 70.645 10.623 -7.112 1.00 1.00 H new ATOM 0 HB2 ASN X 96 68.671 9.856 -8.290 1.00 1.00 H new ATOM 0 HB3 ASN X 96 68.793 8.253 -7.592 1.00 1.00 H new ATOM 0 HD21 ASN X 96 67.682 11.309 -4.974 1.00 1.00 H new ATOM 0 HD22 ASN X 96 68.878 11.642 -6.231 1.00 1.00 H new ATOM 1617 N PRO X 97 71.817 9.506 -5.104 1.00 1.00 N ATOM 1618 CA PRO X 97 72.270 9.058 -3.756 1.00 1.00 C ATOM 1619 C PRO X 97 71.168 9.200 -2.701 1.00 1.00 C ATOM 1620 O PRO X 97 70.331 10.074 -2.772 1.00 1.00 O ATOM 1621 CB PRO X 97 73.441 9.992 -3.431 1.00 1.00 C ATOM 1622 CG PRO X 97 73.903 10.517 -4.746 1.00 1.00 C ATOM 1623 CD PRO X 97 72.669 10.580 -5.622 1.00 1.00 C ATOM 0 HA PRO X 97 72.543 8.003 -3.752 1.00 1.00 H new ATOM 0 HB2 PRO X 97 73.127 10.802 -2.773 1.00 1.00 H new ATOM 0 HB3 PRO X 97 74.240 9.457 -2.919 1.00 1.00 H new ATOM 0 HG2 PRO X 97 74.355 11.503 -4.636 1.00 1.00 H new ATOM 0 HG3 PRO X 97 74.660 9.866 -5.183 1.00 1.00 H new ATOM 0 HD2 PRO X 97 72.177 11.550 -5.551 1.00 1.00 H new ATOM 0 HD3 PRO X 97 72.916 10.424 -6.672 1.00 1.00 H new ATOM 1631 N GLN X 98 71.160 8.337 -1.729 1.00 1.00 N ATOM 1632 CA GLN X 98 70.105 8.406 -0.673 1.00 1.00 C ATOM 1633 C GLN X 98 70.055 9.822 -0.105 1.00 1.00 C ATOM 1634 O GLN X 98 68.993 10.364 0.128 1.00 1.00 O ATOM 1635 CB GLN X 98 70.435 7.420 0.452 1.00 1.00 C ATOM 1636 CG GLN X 98 70.527 6.003 -0.119 1.00 1.00 C ATOM 1637 CD GLN X 98 69.164 5.583 -0.673 1.00 1.00 C ATOM 1638 OE1 GLN X 98 68.161 5.694 0.002 1.00 1.00 O ATOM 1639 NE2 GLN X 98 69.086 5.102 -1.883 1.00 1.00 N ATOM 0 H GLN X 98 71.838 7.583 -1.616 1.00 1.00 H new ATOM 0 HA GLN X 98 69.139 8.148 -1.107 1.00 1.00 H new ATOM 0 HB2 GLN X 98 71.378 7.694 0.925 1.00 1.00 H new ATOM 0 HB3 GLN X 98 69.667 7.463 1.224 1.00 1.00 H new ATOM 0 HG2 GLN X 98 71.278 5.966 -0.908 1.00 1.00 H new ATOM 0 HG3 GLN X 98 70.845 5.307 0.657 1.00 1.00 H new ATOM 0 HE21 GLN X 98 69.929 5.009 -2.450 1.00 1.00 H new ATOM 0 HE22 GLN X 98 68.182 4.819 -2.262 1.00 1.00 H new ATOM 1648 N VAL X 99 71.193 10.428 0.110 1.00 1.00 N ATOM 1649 CA VAL X 99 71.215 11.818 0.652 1.00 1.00 C ATOM 1650 C VAL X 99 72.058 12.711 -0.259 1.00 1.00 C ATOM 1651 O VAL X 99 73.269 12.639 -0.266 1.00 1.00 O ATOM 1652 CB VAL X 99 71.820 11.805 2.055 1.00 1.00 C ATOM 1653 CG1 VAL X 99 73.251 11.267 1.993 1.00 1.00 C ATOM 1654 CG2 VAL X 99 71.836 13.229 2.616 1.00 1.00 C ATOM 0 H VAL X 99 72.110 10.019 -0.067 1.00 1.00 H new ATOM 0 HA VAL X 99 70.198 12.206 0.697 1.00 1.00 H new ATOM 0 HB VAL X 99 71.220 11.164 2.701 1.00 1.00 H new ATOM 0 HG11 VAL X 99 73.680 11.259 2.995 1.00 1.00 H new ATOM 0 HG12 VAL X 99 73.241 10.253 1.594 1.00 1.00 H new ATOM 0 HG13 VAL X 99 73.852 11.906 1.346 1.00 1.00 H new ATOM 0 HG21 VAL X 99 72.267 13.221 3.617 1.00 1.00 H new ATOM 0 HG22 VAL X 99 72.435 13.869 1.968 1.00 1.00 H new ATOM 0 HG23 VAL X 99 70.817 13.613 2.663 1.00 1.00 H new ATOM 1664 N MET X 100 71.426 13.559 -1.023 1.00 1.00 N ATOM 1665 CA MET X 100 72.192 14.461 -1.926 1.00 1.00 C ATOM 1666 C MET X 100 73.204 13.643 -2.729 1.00 1.00 C ATOM 1667 O MET X 100 72.800 13.028 -3.701 1.00 1.00 O ATOM 1668 CB MET X 100 72.932 15.510 -1.092 1.00 1.00 C ATOM 1669 CG MET X 100 71.917 16.412 -0.388 1.00 1.00 C ATOM 1670 SD MET X 100 72.778 17.825 0.346 1.00 1.00 S ATOM 1671 CE MET X 100 73.792 16.894 1.517 1.00 1.00 C ATOM 1672 OXT MET X 100 74.367 13.646 -2.358 1.00 1.00 O ATOM 0 H MET X 100 70.412 13.666 -1.060 1.00 1.00 H new ATOM 0 HA MET X 100 71.504 14.958 -2.609 1.00 1.00 H new ATOM 0 HB2 MET X 100 73.571 15.021 -0.357 1.00 1.00 H new ATOM 0 HB3 MET X 100 73.582 16.107 -1.732 1.00 1.00 H new ATOM 0 HG2 MET X 100 71.167 16.758 -1.099 1.00 1.00 H new ATOM 0 HG3 MET X 100 71.390 15.852 0.384 1.00 1.00 H new ATOM 0 HE1 MET X 100 74.092 17.546 2.337 1.00 1.00 H new ATOM 0 HE2 MET X 100 73.216 16.057 1.911 1.00 1.00 H new ATOM 0 HE3 MET X 100 74.680 16.517 1.010 1.00 1.00 H new TER 1682 MET X 100