USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 906 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot -157:sc= 0.127 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -1.57 X(o=-1.4,f=-0.96) USER MOD Set 1.3: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= 1.49 USER MOD Set 2.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 60 THR OG1 : rot -78:sc= 1.28 USER MOD Set 3.1: A 40 GLN : amide:sc= 0.464 K(o=1.3,f=-8.3!) USER MOD Set 3.2: A 42 LYS NZ :NH3+ 172:sc= 0.852 (180deg=0) USER MOD Set 3.3: A 47 MET CE :methyl -171:sc= 0 (180deg=-0.0203) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0602 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.17) USER MOD Single : A 4 MET CE :methyl 174:sc= 0 (180deg=-0.0162) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-3.7) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 86:sc= 1.1 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -147:sc= -0.418 (180deg=-1.64!) USER MOD Single : A 44 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.36) USER MOD Single : A 45 THR OG1 : rot -36:sc= 1.22 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 70:sc= 0.633 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -138:sc= 1.03 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 83 GLN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD Single : A 86 TYR OH : rot -76:sc= 1.27 USER MOD Single : A 87 SER OG : rot 180:sc= 0.155 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00142) USER MOD Single : A 98 ASN : amide:sc= 0.333 X(o=0.33,f=-0.013) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 103 TYR OH : rot 150:sc=-0.00399 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -134:sc= -0.915 (180deg=-1.8) USER MOD Single : A 113 ASN : amide:sc= -0.0705 K(o=-0.07,f=-1.6!) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.588 -2.224 9.894 1.00 0.00 N ATOM 2 CA GLY A 1 -18.749 -3.407 9.043 1.00 0.00 C ATOM 3 C GLY A 1 -17.471 -4.226 8.956 1.00 0.00 C ATOM 4 O GLY A 1 -16.384 -3.760 9.319 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.199 -2.312 10.731 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.596 -2.147 10.197 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.854 -1.373 9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.552 -4.030 9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.048 -3.095 8.042 1.00 0.00 H new ATOM 8 N SER A 2 -17.574 -5.453 8.429 1.00 0.00 N ATOM 9 CA SER A 2 -16.407 -6.224 7.995 1.00 0.00 C ATOM 10 C SER A 2 -15.599 -5.437 6.952 1.00 0.00 C ATOM 11 O SER A 2 -16.148 -4.547 6.289 1.00 0.00 O ATOM 12 CB SER A 2 -16.870 -7.577 7.446 1.00 0.00 C ATOM 13 OG SER A 2 -17.358 -8.374 8.515 1.00 0.00 O ATOM 0 H SER A 2 -18.463 -5.934 8.293 1.00 0.00 H new ATOM 0 HA SER A 2 -15.749 -6.402 8.846 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.651 -7.432 6.699 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.043 -8.083 6.948 1.00 0.00 H new ATOM 0 HG SER A 2 -17.657 -9.240 8.167 1.00 0.00 H new ATOM 19 N HIS A 3 -14.313 -5.767 6.789 1.00 0.00 N ATOM 20 CA HIS A 3 -13.421 -5.064 5.867 1.00 0.00 C ATOM 21 C HIS A 3 -12.906 -5.996 4.769 1.00 0.00 C ATOM 22 O HIS A 3 -12.998 -5.602 3.611 1.00 0.00 O ATOM 23 CB HIS A 3 -12.298 -4.346 6.634 1.00 0.00 C ATOM 24 CG HIS A 3 -11.148 -5.230 7.007 1.00 0.00 C ATOM 25 ND1 HIS A 3 -11.088 -6.117 8.054 1.00 0.00 N ATOM 26 CD2 HIS A 3 -9.991 -5.339 6.289 1.00 0.00 C ATOM 27 CE1 HIS A 3 -9.915 -6.762 7.946 1.00 0.00 C ATOM 28 NE2 HIS A 3 -9.211 -6.329 6.887 1.00 0.00 N ATOM 0 H HIS A 3 -13.863 -6.530 7.294 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.990 -4.288 5.355 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.926 -3.522 6.025 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.715 -3.909 7.541 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.727 -4.762 5.415 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.580 -7.532 8.625 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.294 -6.657 6.583 1.00 0.00 H new ATOM 36 N MET A 4 -12.452 -7.221 5.080 1.00 0.00 N ATOM 37 CA MET A 4 -11.801 -8.126 4.132 1.00 0.00 C ATOM 38 C MET A 4 -12.588 -8.222 2.835 1.00 0.00 C ATOM 39 O MET A 4 -11.983 -8.165 1.772 1.00 0.00 O ATOM 40 CB MET A 4 -11.660 -9.517 4.768 1.00 0.00 C ATOM 41 CG MET A 4 -10.262 -9.801 5.311 1.00 0.00 C ATOM 42 SD MET A 4 -9.099 -10.481 4.089 1.00 0.00 S ATOM 43 CE MET A 4 -8.037 -9.050 3.765 1.00 0.00 C ATOM 0 H MET A 4 -12.531 -7.614 6.018 1.00 0.00 H new ATOM 0 HA MET A 4 -10.814 -7.729 3.895 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.382 -9.611 5.579 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.913 -10.274 4.026 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.848 -8.876 5.712 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.345 -10.500 6.143 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.213 -9.348 3.116 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.619 -8.268 3.277 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.639 -8.672 4.707 1.00 0.00 H new ATOM 53 N GLU A 5 -13.918 -8.299 2.926 1.00 0.00 N ATOM 54 CA GLU A 5 -14.789 -8.492 1.778 1.00 0.00 C ATOM 55 C GLU A 5 -14.558 -7.452 0.687 1.00 0.00 C ATOM 56 O GLU A 5 -14.598 -7.788 -0.497 1.00 0.00 O ATOM 57 CB GLU A 5 -16.270 -8.460 2.187 1.00 0.00 C ATOM 58 CG GLU A 5 -16.552 -9.280 3.445 1.00 0.00 C ATOM 59 CD GLU A 5 -18.037 -9.560 3.706 1.00 0.00 C ATOM 60 OE1 GLU A 5 -18.948 -8.915 3.140 1.00 0.00 O ATOM 61 OE2 GLU A 5 -18.336 -10.441 4.540 1.00 0.00 O ATOM 0 H GLU A 5 -14.420 -8.228 3.811 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.538 -9.474 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.574 -7.427 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.878 -8.841 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.025 -10.231 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.138 -8.754 4.306 1.00 0.00 H new ATOM 68 N VAL A 6 -14.327 -6.196 1.095 1.00 0.00 N ATOM 69 CA VAL A 6 -14.129 -5.078 0.182 1.00 0.00 C ATOM 70 C VAL A 6 -12.973 -5.389 -0.774 1.00 0.00 C ATOM 71 O VAL A 6 -13.065 -5.110 -1.965 1.00 0.00 O ATOM 72 CB VAL A 6 -13.865 -3.778 0.972 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.632 -2.578 0.047 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.008 -3.416 1.925 1.00 0.00 C ATOM 0 H VAL A 6 -14.273 -5.933 2.079 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.034 -4.931 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.965 -3.986 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.451 -1.686 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.767 -2.771 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.512 -2.423 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.764 -2.493 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.927 -3.277 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.148 -4.220 2.647 1.00 0.00 H new ATOM 84 N PHE A 7 -11.893 -5.977 -0.260 1.00 0.00 N ATOM 85 CA PHE A 7 -10.671 -6.246 -1.000 1.00 0.00 C ATOM 86 C PHE A 7 -10.530 -7.713 -1.438 1.00 0.00 C ATOM 87 O PHE A 7 -9.601 -8.036 -2.183 1.00 0.00 O ATOM 88 CB PHE A 7 -9.496 -5.812 -0.121 1.00 0.00 C ATOM 89 CG PHE A 7 -9.547 -4.364 0.339 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.678 -3.333 -0.614 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.378 -4.033 1.699 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.613 -1.988 -0.221 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.257 -2.686 2.073 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.375 -1.663 1.121 1.00 0.00 C ATOM 0 H PHE A 7 -11.848 -6.286 0.711 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.693 -5.680 -1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.459 -6.457 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.569 -5.971 -0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.830 -3.581 -1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.342 -4.811 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.746 -1.204 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.071 -2.434 3.107 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.283 -0.630 1.421 1.00 0.00 H new ATOM 104 N ALA A 8 -11.428 -8.603 -1.007 1.00 0.00 N ATOM 105 CA ALA A 8 -11.290 -10.042 -1.190 1.00 0.00 C ATOM 106 C ALA A 8 -11.507 -10.409 -2.650 1.00 0.00 C ATOM 107 O ALA A 8 -10.739 -11.177 -3.222 1.00 0.00 O ATOM 108 CB ALA A 8 -12.301 -10.781 -0.311 1.00 0.00 C ATOM 0 H ALA A 8 -12.281 -8.336 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.282 -10.337 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.191 -11.856 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.122 -10.534 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.312 -10.480 -0.587 1.00 0.00 H new ATOM 114 N GLU A 9 -12.540 -9.840 -3.267 1.00 0.00 N ATOM 115 CA GLU A 9 -12.946 -10.153 -4.629 1.00 0.00 C ATOM 116 C GLU A 9 -11.801 -9.917 -5.622 1.00 0.00 C ATOM 117 O GLU A 9 -11.646 -10.688 -6.568 1.00 0.00 O ATOM 118 CB GLU A 9 -14.179 -9.307 -4.988 1.00 0.00 C ATOM 119 CG GLU A 9 -15.454 -9.727 -4.236 1.00 0.00 C ATOM 120 CD GLU A 9 -16.654 -8.851 -4.622 1.00 0.00 C ATOM 121 OE1 GLU A 9 -16.536 -7.606 -4.643 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.750 -9.384 -4.932 1.00 0.00 O ATOM 0 H GLU A 9 -13.128 -9.135 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.203 -11.210 -4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.967 -8.260 -4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.359 -9.379 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.679 -10.771 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.283 -9.657 -3.162 1.00 0.00 H new ATOM 129 N TYR A 10 -10.970 -8.900 -5.380 1.00 0.00 N ATOM 130 CA TYR A 10 -9.806 -8.587 -6.194 1.00 0.00 C ATOM 131 C TYR A 10 -8.733 -9.662 -6.050 1.00 0.00 C ATOM 132 O TYR A 10 -8.127 -10.062 -7.045 1.00 0.00 O ATOM 133 CB TYR A 10 -9.254 -7.242 -5.728 1.00 0.00 C ATOM 134 CG TYR A 10 -7.988 -6.806 -6.432 1.00 0.00 C ATOM 135 CD1 TYR A 10 -6.723 -7.196 -5.949 1.00 0.00 C ATOM 136 CD2 TYR A 10 -8.078 -5.984 -7.565 1.00 0.00 C ATOM 137 CE1 TYR A 10 -5.553 -6.720 -6.570 1.00 0.00 C ATOM 138 CE2 TYR A 10 -6.914 -5.485 -8.170 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.651 -5.831 -7.663 1.00 0.00 C ATOM 140 OH TYR A 10 -4.545 -5.283 -8.225 1.00 0.00 O ATOM 0 H TYR A 10 -11.095 -8.261 -4.595 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.096 -8.544 -7.244 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.018 -6.479 -5.876 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.059 -7.295 -4.657 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.651 -7.861 -5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.046 -5.734 -7.973 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.584 -7.034 -6.212 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.990 -4.833 -9.028 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.810 -4.698 -8.965 1.00 0.00 H new ATOM 150 N LEU A 11 -8.493 -10.120 -4.817 1.00 0.00 N ATOM 151 CA LEU A 11 -7.489 -11.130 -4.505 1.00 0.00 C ATOM 152 C LEU A 11 -7.809 -12.436 -5.227 1.00 0.00 C ATOM 153 O LEU A 11 -6.907 -13.072 -5.768 1.00 0.00 O ATOM 154 CB LEU A 11 -7.385 -11.332 -2.987 1.00 0.00 C ATOM 155 CG LEU A 11 -6.830 -10.108 -2.227 1.00 0.00 C ATOM 156 CD1 LEU A 11 -7.026 -10.331 -0.729 1.00 0.00 C ATOM 157 CD2 LEU A 11 -5.340 -9.836 -2.475 1.00 0.00 C ATOM 0 H LEU A 11 -9.002 -9.790 -3.997 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.517 -10.785 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.373 -11.573 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.744 -12.191 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.379 -9.243 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.638 -9.473 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.088 -10.449 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.492 -11.230 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.030 -8.960 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.755 -10.700 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.175 -9.654 -3.537 1.00 0.00 H new ATOM 169 N LYS A 12 -9.091 -12.800 -5.322 1.00 0.00 N ATOM 170 CA LYS A 12 -9.508 -13.962 -6.107 1.00 0.00 C ATOM 171 C LYS A 12 -9.033 -13.840 -7.552 1.00 0.00 C ATOM 172 O LYS A 12 -8.670 -14.845 -8.160 1.00 0.00 O ATOM 173 CB LYS A 12 -11.032 -14.106 -6.100 1.00 0.00 C ATOM 174 CG LYS A 12 -11.635 -14.174 -4.692 1.00 0.00 C ATOM 175 CD LYS A 12 -13.108 -14.573 -4.738 1.00 0.00 C ATOM 176 CE LYS A 12 -13.956 -13.515 -5.449 1.00 0.00 C ATOM 177 NZ LYS A 12 -14.936 -14.097 -6.381 1.00 0.00 N ATOM 0 H LYS A 12 -9.857 -12.306 -4.864 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.057 -14.843 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.471 -13.263 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.306 -15.008 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.080 -14.894 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.534 -13.205 -4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.211 -15.529 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.479 -14.716 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.481 -12.917 -4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.300 -12.838 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.481 -13.335 -6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.438 -14.646 -7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.583 -14.722 -5.859 1.00 0.00 H new ATOM 191 N GLY A 13 -9.053 -12.627 -8.095 1.00 0.00 N ATOM 192 CA GLY A 13 -8.771 -12.332 -9.487 1.00 0.00 C ATOM 193 C GLY A 13 -7.287 -12.162 -9.789 1.00 0.00 C ATOM 194 O GLY A 13 -6.940 -11.875 -10.938 1.00 0.00 O ATOM 0 H GLY A 13 -9.275 -11.793 -7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.169 -13.135 -10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.297 -11.420 -9.770 1.00 0.00 H new ATOM 198 N ILE A 14 -6.403 -12.310 -8.798 1.00 0.00 N ATOM 199 CA ILE A 14 -4.963 -12.269 -9.011 1.00 0.00 C ATOM 200 C ILE A 14 -4.592 -13.492 -9.862 1.00 0.00 C ATOM 201 O ILE A 14 -5.214 -14.552 -9.781 1.00 0.00 O ATOM 202 CB ILE A 14 -4.207 -12.252 -7.660 1.00 0.00 C ATOM 203 CG1 ILE A 14 -4.625 -11.100 -6.712 1.00 0.00 C ATOM 204 CG2 ILE A 14 -2.677 -12.257 -7.869 1.00 0.00 C ATOM 205 CD1 ILE A 14 -3.698 -9.898 -6.534 1.00 0.00 C ATOM 0 H ILE A 14 -6.672 -12.462 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.673 -11.357 -9.532 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.501 -13.174 -7.159 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.586 -10.722 -7.061 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.792 -11.533 -5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.177 -12.245 -6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.387 -13.155 -8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.385 -11.375 -8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.148 -9.191 -5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.738 -10.234 -6.141 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.545 -9.411 -7.497 1.00 0.00 H new ATOM 217 N ASP A 15 -3.546 -13.341 -10.669 1.00 0.00 N ATOM 218 CA ASP A 15 -3.136 -14.293 -11.700 1.00 0.00 C ATOM 219 C ASP A 15 -2.550 -15.593 -11.136 1.00 0.00 C ATOM 220 O ASP A 15 -2.534 -16.625 -11.807 1.00 0.00 O ATOM 221 CB ASP A 15 -2.096 -13.587 -12.568 1.00 0.00 C ATOM 222 CG ASP A 15 -1.899 -14.268 -13.915 1.00 0.00 C ATOM 223 OD1 ASP A 15 -2.884 -14.311 -14.696 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.753 -14.652 -14.225 1.00 0.00 O ATOM 0 H ASP A 15 -2.938 -12.523 -10.622 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.017 -14.592 -12.268 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.403 -12.554 -12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.144 -13.558 -12.037 1.00 0.00 H new ATOM 229 N HIS A 16 -2.048 -15.543 -9.897 1.00 0.00 N ATOM 230 CA HIS A 16 -1.440 -16.649 -9.169 1.00 0.00 C ATOM 231 C HIS A 16 -1.407 -16.299 -7.685 1.00 0.00 C ATOM 232 O HIS A 16 -1.097 -15.148 -7.362 1.00 0.00 O ATOM 233 CB HIS A 16 -0.008 -16.848 -9.665 1.00 0.00 C ATOM 234 CG HIS A 16 0.355 -18.165 -10.301 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.211 -19.111 -9.772 1.00 0.00 N ATOM 236 CD2 HIS A 16 0.138 -18.490 -11.614 1.00 0.00 C ATOM 237 CE1 HIS A 16 1.491 -19.991 -10.745 1.00 0.00 C ATOM 238 NE2 HIS A 16 0.863 -19.656 -11.890 1.00 0.00 N ATOM 0 H HIS A 16 -2.058 -14.681 -9.351 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.015 -17.561 -9.327 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.205 -16.061 -10.388 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.661 -16.693 -8.818 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.481 -17.945 -12.311 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.133 -20.852 -10.627 1.00 0.00 H new ATOM 0 HE2 HIS A 16 0.907 -20.153 -12.780 1.00 0.00 H new ATOM 246 N PRO A 17 -1.580 -17.281 -6.787 1.00 0.00 N ATOM 247 CA PRO A 17 -1.488 -17.065 -5.350 1.00 0.00 C ATOM 248 C PRO A 17 -0.089 -16.612 -4.916 1.00 0.00 C ATOM 249 O PRO A 17 0.035 -15.849 -3.956 1.00 0.00 O ATOM 250 CB PRO A 17 -1.887 -18.388 -4.696 1.00 0.00 C ATOM 251 CG PRO A 17 -1.555 -19.414 -5.772 1.00 0.00 C ATOM 252 CD PRO A 17 -1.855 -18.678 -7.064 1.00 0.00 C ATOM 0 HA PRO A 17 -2.150 -16.257 -5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.328 -18.570 -3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.945 -18.406 -4.433 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.512 -19.727 -5.721 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.163 -20.313 -5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.232 -19.046 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.893 -18.821 -7.366 1.00 0.00 H new ATOM 260 N ASP A 18 0.964 -16.988 -5.662 1.00 0.00 N ATOM 261 CA ASP A 18 2.336 -16.553 -5.371 1.00 0.00 C ATOM 262 C ASP A 18 2.468 -15.036 -5.484 1.00 0.00 C ATOM 263 O ASP A 18 3.423 -14.464 -4.966 1.00 0.00 O ATOM 264 CB ASP A 18 3.349 -17.241 -6.298 1.00 0.00 C ATOM 265 CG ASP A 18 3.874 -18.513 -5.641 1.00 0.00 C ATOM 266 OD1 ASP A 18 3.216 -19.563 -5.827 1.00 0.00 O ATOM 267 OD2 ASP A 18 4.903 -18.476 -4.927 1.00 0.00 O ATOM 0 H ASP A 18 0.887 -17.597 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 18 2.557 -16.845 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.878 -17.481 -7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.176 -16.564 -6.513 1.00 0.00 H new ATOM 272 N HIS A 19 1.493 -14.361 -6.103 1.00 0.00 N ATOM 273 CA HIS A 19 1.496 -12.903 -6.205 1.00 0.00 C ATOM 274 C HIS A 19 0.243 -12.308 -5.552 1.00 0.00 C ATOM 275 O HIS A 19 -0.085 -11.151 -5.805 1.00 0.00 O ATOM 276 CB HIS A 19 1.707 -12.467 -7.673 1.00 0.00 C ATOM 277 CG HIS A 19 2.473 -13.457 -8.530 1.00 0.00 C ATOM 278 ND1 HIS A 19 1.869 -14.538 -9.105 1.00 0.00 N ATOM 279 CD2 HIS A 19 3.830 -13.612 -8.699 1.00 0.00 C ATOM 280 CE1 HIS A 19 2.819 -15.371 -9.545 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.032 -14.824 -9.393 1.00 0.00 N ATOM 0 H HIS A 19 0.688 -14.808 -6.543 1.00 0.00 H new ATOM 0 HA HIS A 19 2.339 -12.499 -5.645 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.732 -12.293 -8.129 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.238 -11.515 -7.681 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.598 -12.932 -8.363 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.633 -16.349 -9.965 1.00 0.00 H new ATOM 0 HE2 HIS A 19 4.922 -15.206 -9.714 1.00 0.00 H new ATOM 289 N ARG A 20 -0.481 -13.096 -4.741 1.00 0.00 N ATOM 290 CA ARG A 20 -1.661 -12.681 -3.993 1.00 0.00 C ATOM 291 C ARG A 20 -1.394 -12.712 -2.503 1.00 0.00 C ATOM 292 O ARG A 20 -1.800 -11.796 -1.797 1.00 0.00 O ATOM 293 CB ARG A 20 -2.832 -13.626 -4.300 1.00 0.00 C ATOM 294 CG ARG A 20 -4.124 -13.148 -3.627 1.00 0.00 C ATOM 295 CD ARG A 20 -4.483 -13.897 -2.338 1.00 0.00 C ATOM 296 NE ARG A 20 -5.310 -15.072 -2.649 1.00 0.00 N ATOM 297 CZ ARG A 20 -6.050 -15.776 -1.788 1.00 0.00 C ATOM 298 NH1 ARG A 20 -5.969 -15.551 -0.483 1.00 0.00 N ATOM 299 NH2 ARG A 20 -6.902 -16.692 -2.247 1.00 0.00 N ATOM 0 H ARG A 20 -0.245 -14.076 -4.588 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.908 -11.663 -4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.981 -13.685 -5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.591 -14.632 -3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.030 -12.086 -3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.947 -13.252 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.574 -14.209 -1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.021 -13.234 -1.661 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.320 -15.381 -3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.337 -14.834 -0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.539 -16.095 0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.986 -16.852 -3.251 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.470 -17.233 -1.595 1.00 0.00 H new ATOM 313 N ASP A 21 -0.770 -13.774 -2.012 1.00 0.00 N ATOM 314 CA ASP A 21 -0.774 -14.161 -0.603 1.00 0.00 C ATOM 315 C ASP A 21 0.049 -13.216 0.278 1.00 0.00 C ATOM 316 O ASP A 21 0.059 -13.346 1.500 1.00 0.00 O ATOM 317 CB ASP A 21 -0.203 -15.580 -0.512 1.00 0.00 C ATOM 318 CG ASP A 21 -1.161 -16.675 -0.981 1.00 0.00 C ATOM 319 OD1 ASP A 21 -2.165 -16.374 -1.666 1.00 0.00 O ATOM 320 OD2 ASP A 21 -0.896 -17.869 -0.703 1.00 0.00 O ATOM 0 H ASP A 21 -0.230 -14.411 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.798 -14.111 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.708 -15.631 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.080 -15.779 0.521 1.00 0.00 H new ATOM 325 N ARG A 22 0.744 -12.260 -0.336 1.00 0.00 N ATOM 326 CA ARG A 22 1.393 -11.115 0.302 1.00 0.00 C ATOM 327 C ARG A 22 0.609 -9.813 0.126 1.00 0.00 C ATOM 328 O ARG A 22 0.705 -8.924 0.965 1.00 0.00 O ATOM 329 CB ARG A 22 2.846 -11.004 -0.187 1.00 0.00 C ATOM 330 CG ARG A 22 3.052 -10.983 -1.722 1.00 0.00 C ATOM 331 CD ARG A 22 4.090 -12.004 -2.222 1.00 0.00 C ATOM 332 NE ARG A 22 3.758 -13.379 -1.810 1.00 0.00 N ATOM 333 CZ ARG A 22 4.501 -14.476 -2.003 1.00 0.00 C ATOM 334 NH1 ARG A 22 5.558 -14.466 -2.805 1.00 0.00 N ATOM 335 NH2 ARG A 22 4.173 -15.583 -1.352 1.00 0.00 N ATOM 0 H ARG A 22 0.877 -12.263 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 22 1.406 -11.289 1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.279 -10.094 0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.410 -11.842 0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.098 -11.180 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.364 -9.983 -2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.150 -11.956 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.074 -11.738 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 22 2.869 -13.509 -1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.821 -13.609 -3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.108 -15.315 -2.935 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.371 -15.585 -0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.723 -16.432 -1.481 1.00 0.00 H new ATOM 349 N THR A 23 -0.197 -9.692 -0.927 1.00 0.00 N ATOM 350 CA THR A 23 -1.087 -8.562 -1.137 1.00 0.00 C ATOM 351 C THR A 23 -2.102 -8.486 0.016 1.00 0.00 C ATOM 352 O THR A 23 -2.367 -7.398 0.535 1.00 0.00 O ATOM 353 CB THR A 23 -1.783 -8.733 -2.502 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.867 -9.127 -3.502 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.513 -7.488 -3.003 1.00 0.00 C ATOM 0 H THR A 23 -0.248 -10.391 -1.668 1.00 0.00 H new ATOM 0 HA THR A 23 -0.530 -7.625 -1.147 1.00 0.00 H new ATOM 0 HB THR A 23 -2.528 -9.508 -2.322 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.338 -9.229 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.972 -7.699 -3.969 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.286 -7.207 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.803 -6.668 -3.111 1.00 0.00 H new ATOM 363 N GLU A 24 -2.680 -9.632 0.396 1.00 0.00 N ATOM 364 CA GLU A 24 -3.651 -9.751 1.482 1.00 0.00 C ATOM 365 C GLU A 24 -3.062 -9.312 2.820 1.00 0.00 C ATOM 366 O GLU A 24 -3.753 -8.657 3.598 1.00 0.00 O ATOM 367 CB GLU A 24 -4.206 -11.182 1.578 1.00 0.00 C ATOM 368 CG GLU A 24 -3.161 -12.281 1.457 1.00 0.00 C ATOM 369 CD GLU A 24 -3.669 -13.626 1.970 1.00 0.00 C ATOM 370 OE1 GLU A 24 -3.687 -13.838 3.207 1.00 0.00 O ATOM 371 OE2 GLU A 24 -4.034 -14.475 1.132 1.00 0.00 O ATOM 0 H GLU A 24 -2.478 -10.523 -0.057 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.476 -9.079 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.721 -11.294 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.951 -11.321 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.863 -12.382 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.270 -11.995 2.016 1.00 0.00 H new ATOM 378 N GLU A 25 -1.794 -9.640 3.087 1.00 0.00 N ATOM 379 CA GLU A 25 -1.147 -9.256 4.338 1.00 0.00 C ATOM 380 C GLU A 25 -1.126 -7.744 4.490 1.00 0.00 C ATOM 381 O GLU A 25 -1.499 -7.252 5.545 1.00 0.00 O ATOM 382 CB GLU A 25 0.278 -9.797 4.463 1.00 0.00 C ATOM 383 CG GLU A 25 0.296 -11.330 4.473 1.00 0.00 C ATOM 384 CD GLU A 25 1.566 -11.917 5.090 1.00 0.00 C ATOM 385 OE1 GLU A 25 2.509 -11.173 5.430 1.00 0.00 O ATOM 386 OE2 GLU A 25 1.592 -13.153 5.318 1.00 0.00 O ATOM 0 H GLU A 25 -1.198 -10.171 2.451 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.741 -9.703 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.882 -9.430 3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.733 -9.420 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.570 -11.693 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.196 -11.694 3.451 1.00 0.00 H new ATOM 393 N ILE A 26 -0.734 -7.017 3.444 1.00 0.00 N ATOM 394 CA ILE A 26 -0.683 -5.556 3.437 1.00 0.00 C ATOM 395 C ILE A 26 -2.080 -4.971 3.657 1.00 0.00 C ATOM 396 O ILE A 26 -2.242 -4.010 4.409 1.00 0.00 O ATOM 397 CB ILE A 26 -0.054 -5.098 2.103 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.460 -5.398 2.156 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.343 -3.618 1.767 1.00 0.00 C ATOM 400 CD1 ILE A 26 2.123 -5.538 0.792 1.00 0.00 C ATOM 0 H ILE A 26 -0.438 -7.435 2.562 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.064 -5.189 4.256 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.516 -5.657 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.957 -4.600 2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.616 -6.319 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.127 -3.362 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.420 -3.466 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.059 -2.981 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.185 -5.748 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.657 -6.356 0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.003 -4.610 0.232 1.00 0.00 H new ATOM 412 N LEU A 27 -3.085 -5.513 2.967 1.00 0.00 N ATOM 413 CA LEU A 27 -4.461 -5.043 3.080 1.00 0.00 C ATOM 414 C LEU A 27 -4.932 -5.167 4.532 1.00 0.00 C ATOM 415 O LEU A 27 -5.507 -4.222 5.078 1.00 0.00 O ATOM 416 CB LEU A 27 -5.356 -5.854 2.132 1.00 0.00 C ATOM 417 CG LEU A 27 -5.225 -5.516 0.641 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.801 -6.667 -0.189 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.958 -4.217 0.294 1.00 0.00 C ATOM 0 H LEU A 27 -2.965 -6.289 2.316 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.521 -3.993 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.132 -6.912 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.395 -5.708 2.429 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.168 -5.377 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.710 -6.432 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.251 -7.583 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.852 -6.807 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.844 -4.008 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.016 -4.322 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.536 -3.395 0.872 1.00 0.00 H new ATOM 431 N SER A 28 -4.704 -6.327 5.146 1.00 0.00 N ATOM 432 CA SER A 28 -5.065 -6.634 6.520 1.00 0.00 C ATOM 433 C SER A 28 -4.258 -5.761 7.496 1.00 0.00 C ATOM 434 O SER A 28 -4.824 -5.220 8.448 1.00 0.00 O ATOM 435 CB SER A 28 -4.817 -8.140 6.692 1.00 0.00 C ATOM 436 OG SER A 28 -5.137 -8.635 7.974 1.00 0.00 O ATOM 0 H SER A 28 -4.244 -7.107 4.677 1.00 0.00 H new ATOM 0 HA SER A 28 -6.108 -6.409 6.742 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.403 -8.681 5.949 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.768 -8.350 6.485 1.00 0.00 H new ATOM 0 HG SER A 28 -4.955 -9.597 8.008 1.00 0.00 H new ATOM 442 N TRP A 29 -2.959 -5.598 7.237 1.00 0.00 N ATOM 443 CA TRP A 29 -2.007 -4.856 8.048 1.00 0.00 C ATOM 444 C TRP A 29 -2.375 -3.381 8.107 1.00 0.00 C ATOM 445 O TRP A 29 -2.365 -2.810 9.192 1.00 0.00 O ATOM 446 CB TRP A 29 -0.600 -5.046 7.467 1.00 0.00 C ATOM 447 CG TRP A 29 0.514 -4.295 8.121 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.257 -4.726 9.160 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.061 -2.998 7.764 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.230 -3.795 9.461 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.187 -2.727 8.593 1.00 0.00 C ATOM 452 CE3 TRP A 29 0.730 -2.040 6.790 1.00 0.00 C ATOM 453 CZ2 TRP A 29 2.980 -1.584 8.415 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.528 -0.902 6.591 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.669 -0.691 7.379 1.00 0.00 C ATOM 0 H TRP A 29 -2.525 -6.005 6.409 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.030 -5.237 9.069 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.359 -6.108 7.504 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.627 -4.762 6.415 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.112 -5.662 9.680 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.896 -3.886 10.228 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.153 -2.182 6.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.819 -1.394 9.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.262 -0.186 5.828 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.308 0.159 7.188 1.00 0.00 H new ATOM 466 N VAL A 30 -2.737 -2.748 6.986 1.00 0.00 N ATOM 467 CA VAL A 30 -3.268 -1.387 7.012 1.00 0.00 C ATOM 468 C VAL A 30 -4.506 -1.343 7.917 1.00 0.00 C ATOM 469 O VAL A 30 -4.560 -0.521 8.830 1.00 0.00 O ATOM 470 CB VAL A 30 -3.531 -0.877 5.580 1.00 0.00 C ATOM 471 CG1 VAL A 30 -4.425 0.371 5.585 1.00 0.00 C ATOM 472 CG2 VAL A 30 -2.208 -0.546 4.858 1.00 0.00 C ATOM 0 H VAL A 30 -2.671 -3.157 6.054 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.534 -0.703 7.438 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.043 -1.678 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.590 0.704 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.382 0.131 6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.938 1.165 6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.423 -0.189 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.675 0.227 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.590 -1.442 4.801 1.00 0.00 H new ATOM 482 N ALA A 31 -5.447 -2.274 7.720 1.00 0.00 N ATOM 483 CA ALA A 31 -6.675 -2.384 8.501 1.00 0.00 C ATOM 484 C ALA A 31 -6.457 -2.749 9.979 1.00 0.00 C ATOM 485 O ALA A 31 -7.438 -2.954 10.701 1.00 0.00 O ATOM 486 CB ALA A 31 -7.592 -3.401 7.821 1.00 0.00 C ATOM 0 H ALA A 31 -5.369 -2.987 6.995 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.133 -1.395 8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.516 -3.496 8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.823 -3.064 6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.092 -4.369 7.776 1.00 0.00 H new ATOM 492 N ALA A 32 -5.215 -2.878 10.444 1.00 0.00 N ATOM 493 CA ALA A 32 -4.871 -3.144 11.836 1.00 0.00 C ATOM 494 C ALA A 32 -3.951 -2.063 12.400 1.00 0.00 C ATOM 495 O ALA A 32 -4.229 -1.523 13.464 1.00 0.00 O ATOM 496 CB ALA A 32 -4.244 -4.538 11.953 1.00 0.00 C ATOM 0 H ALA A 32 -4.396 -2.797 9.841 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.782 -3.121 12.434 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.987 -4.735 12.994 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.956 -5.287 11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.342 -4.584 11.342 1.00 0.00 H new ATOM 502 N THR A 33 -2.868 -1.740 11.699 1.00 0.00 N ATOM 503 CA THR A 33 -1.855 -0.787 12.130 1.00 0.00 C ATOM 504 C THR A 33 -2.430 0.632 12.101 1.00 0.00 C ATOM 505 O THR A 33 -1.968 1.493 12.855 1.00 0.00 O ATOM 506 CB THR A 33 -0.636 -0.913 11.191 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.340 -2.280 10.957 1.00 0.00 O ATOM 508 CG2 THR A 33 0.659 -0.317 11.750 1.00 0.00 C ATOM 0 H THR A 33 -2.667 -2.149 10.786 1.00 0.00 H new ATOM 0 HA THR A 33 -1.543 -0.998 13.153 1.00 0.00 H new ATOM 0 HB THR A 33 -0.930 -0.366 10.295 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.883 -2.609 10.211 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.463 -0.449 11.026 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.516 0.746 11.944 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.921 -0.823 12.679 1.00 0.00 H new ATOM 516 N PHE A 34 -3.435 0.875 11.242 1.00 0.00 N ATOM 517 CA PHE A 34 -3.949 2.202 10.962 1.00 0.00 C ATOM 518 C PHE A 34 -5.494 2.242 11.051 1.00 0.00 C ATOM 519 O PHE A 34 -6.185 2.248 10.028 1.00 0.00 O ATOM 520 CB PHE A 34 -3.458 2.681 9.597 1.00 0.00 C ATOM 521 CG PHE A 34 -1.983 2.474 9.249 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.927 2.809 10.119 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.664 1.952 7.984 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.400 2.459 9.794 1.00 0.00 C ATOM 525 CE2 PHE A 34 -0.344 1.660 7.631 1.00 0.00 C ATOM 526 CZ PHE A 34 0.684 1.872 8.554 1.00 0.00 C ATOM 0 H PHE A 34 -3.911 0.137 10.722 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.568 2.883 11.723 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.054 2.181 8.834 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.672 3.747 9.521 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.134 3.336 11.039 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.455 1.773 7.270 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.196 2.643 10.500 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.119 1.272 6.649 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.696 1.584 8.312 1.00 0.00 H new ATOM 536 N PRO A 35 -6.074 2.295 12.261 1.00 0.00 N ATOM 537 CA PRO A 35 -7.525 2.209 12.478 1.00 0.00 C ATOM 538 C PRO A 35 -8.306 3.487 12.112 1.00 0.00 C ATOM 539 O PRO A 35 -9.532 3.521 12.220 1.00 0.00 O ATOM 540 CB PRO A 35 -7.675 1.876 13.964 1.00 0.00 C ATOM 541 CG PRO A 35 -6.460 2.569 14.568 1.00 0.00 C ATOM 542 CD PRO A 35 -5.374 2.323 13.532 1.00 0.00 C ATOM 0 HA PRO A 35 -7.956 1.455 11.819 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.609 2.258 14.375 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.663 0.801 14.144 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.638 3.633 14.721 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.196 2.147 15.538 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.622 3.112 13.552 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.855 1.383 13.719 1.00 0.00 H new ATOM 550 N ASN A 36 -7.617 4.571 11.743 1.00 0.00 N ATOM 551 CA ASN A 36 -8.251 5.803 11.268 1.00 0.00 C ATOM 552 C ASN A 36 -8.594 5.743 9.772 1.00 0.00 C ATOM 553 O ASN A 36 -9.435 6.511 9.302 1.00 0.00 O ATOM 554 CB ASN A 36 -7.331 7.002 11.544 1.00 0.00 C ATOM 555 CG ASN A 36 -7.884 7.886 12.649 1.00 0.00 C ATOM 556 OD1 ASN A 36 -8.797 8.677 12.433 1.00 0.00 O ATOM 557 ND2 ASN A 36 -7.341 7.777 13.845 1.00 0.00 N ATOM 0 H ASN A 36 -6.598 4.618 11.766 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.188 5.919 11.813 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.340 6.645 11.824 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.212 7.588 10.633 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.679 8.357 14.613 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.583 7.113 14.002 1.00 0.00 H new ATOM 564 N LEU A 37 -7.947 4.859 9.003 1.00 0.00 N ATOM 565 CA LEU A 37 -8.284 4.651 7.600 1.00 0.00 C ATOM 566 C LEU A 37 -9.531 3.783 7.524 1.00 0.00 C ATOM 567 O LEU A 37 -9.676 2.844 8.305 1.00 0.00 O ATOM 568 CB LEU A 37 -7.136 3.943 6.850 1.00 0.00 C ATOM 569 CG LEU A 37 -5.884 4.782 6.541 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.802 3.868 5.969 1.00 0.00 C ATOM 571 CD2 LEU A 37 -6.173 5.898 5.533 1.00 0.00 C ATOM 0 H LEU A 37 -7.181 4.274 9.338 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.454 5.621 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.828 3.079 7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.530 3.563 5.908 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.555 5.246 7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.910 4.454 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.556 3.095 6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.166 3.401 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.261 6.464 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.528 5.462 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.936 6.564 5.936 1.00 0.00 H new ATOM 583 N GLU A 38 -10.370 4.028 6.521 1.00 0.00 N ATOM 584 CA GLU A 38 -11.523 3.210 6.187 1.00 0.00 C ATOM 585 C GLU A 38 -11.384 2.768 4.725 1.00 0.00 C ATOM 586 O GLU A 38 -10.884 3.540 3.899 1.00 0.00 O ATOM 587 CB GLU A 38 -12.794 4.038 6.393 1.00 0.00 C ATOM 588 CG GLU A 38 -13.119 4.245 7.877 1.00 0.00 C ATOM 589 CD GLU A 38 -14.058 3.148 8.399 1.00 0.00 C ATOM 590 OE1 GLU A 38 -13.600 2.018 8.691 1.00 0.00 O ATOM 591 OE2 GLU A 38 -15.290 3.389 8.484 1.00 0.00 O ATOM 0 H GLU A 38 -10.258 4.829 5.900 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.582 2.327 6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.675 5.008 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.632 3.540 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.196 4.244 8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.583 5.221 8.017 1.00 0.00 H new ATOM 598 N PRO A 39 -11.819 1.550 4.373 1.00 0.00 N ATOM 599 CA PRO A 39 -11.594 0.965 3.058 1.00 0.00 C ATOM 600 C PRO A 39 -12.491 1.572 1.980 1.00 0.00 C ATOM 601 O PRO A 39 -13.530 2.173 2.277 1.00 0.00 O ATOM 602 CB PRO A 39 -11.925 -0.515 3.245 1.00 0.00 C ATOM 603 CG PRO A 39 -12.991 -0.522 4.340 1.00 0.00 C ATOM 604 CD PRO A 39 -12.501 0.606 5.242 1.00 0.00 C ATOM 0 HA PRO A 39 -10.574 1.146 2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.298 -0.960 2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.045 -1.086 3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.988 -0.328 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.036 -1.477 4.864 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.335 1.083 5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.827 0.226 6.010 1.00 0.00 H new ATOM 612 N GLN A 40 -12.106 1.361 0.721 1.00 0.00 N ATOM 613 CA GLN A 40 -12.860 1.638 -0.483 1.00 0.00 C ATOM 614 C GLN A 40 -12.069 0.980 -1.621 1.00 0.00 C ATOM 615 O GLN A 40 -10.906 1.335 -1.799 1.00 0.00 O ATOM 616 CB GLN A 40 -12.943 3.170 -0.635 1.00 0.00 C ATOM 617 CG GLN A 40 -13.583 3.606 -1.949 1.00 0.00 C ATOM 618 CD GLN A 40 -14.058 5.064 -1.925 1.00 0.00 C ATOM 619 OE1 GLN A 40 -15.090 5.399 -2.498 1.00 0.00 O ATOM 620 NE2 GLN A 40 -13.316 5.974 -1.313 1.00 0.00 N ATOM 0 H GLN A 40 -11.191 0.963 0.510 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.879 1.251 -0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.516 3.581 0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.940 3.591 -0.569 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.864 3.476 -2.758 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.430 2.956 -2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.458 5.696 -0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.602 6.953 -1.318 1.00 0.00 H new ATOM 629 N MET A 41 -12.613 0.024 -2.383 1.00 0.00 N ATOM 630 CA MET A 41 -11.976 -0.371 -3.640 1.00 0.00 C ATOM 631 C MET A 41 -12.647 0.409 -4.777 1.00 0.00 C ATOM 632 O MET A 41 -13.875 0.411 -4.878 1.00 0.00 O ATOM 633 CB MET A 41 -11.949 -1.901 -3.792 1.00 0.00 C ATOM 634 CG MET A 41 -13.100 -2.550 -4.578 1.00 0.00 C ATOM 635 SD MET A 41 -12.688 -4.152 -5.316 1.00 0.00 S ATOM 636 CE MET A 41 -11.297 -3.648 -6.361 1.00 0.00 C ATOM 0 H MET A 41 -13.472 -0.478 -2.158 1.00 0.00 H new ATOM 0 HA MET A 41 -10.920 -0.104 -3.663 1.00 0.00 H new ATOM 0 HB2 MET A 41 -11.012 -2.176 -4.277 1.00 0.00 H new ATOM 0 HB3 MET A 41 -11.932 -2.339 -2.794 1.00 0.00 H new ATOM 0 HG2 MET A 41 -13.953 -2.679 -3.911 1.00 0.00 H new ATOM 0 HG3 MET A 41 -13.414 -1.869 -5.369 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.282 -4.256 -7.266 1.00 0.00 H new ATOM 0 HE2 MET A 41 -11.407 -2.598 -6.631 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.363 -3.787 -5.816 1.00 0.00 H new ATOM 646 N LYS A 42 -11.866 1.094 -5.616 1.00 0.00 N ATOM 647 CA LYS A 42 -12.344 1.855 -6.770 1.00 0.00 C ATOM 648 C LYS A 42 -11.445 1.577 -7.955 1.00 0.00 C ATOM 649 O LYS A 42 -10.244 1.373 -7.776 1.00 0.00 O ATOM 650 CB LYS A 42 -12.346 3.364 -6.459 1.00 0.00 C ATOM 651 CG LYS A 42 -13.739 3.978 -6.644 1.00 0.00 C ATOM 652 CD LYS A 42 -14.589 3.819 -5.382 1.00 0.00 C ATOM 653 CE LYS A 42 -16.038 4.264 -5.588 1.00 0.00 C ATOM 654 NZ LYS A 42 -16.839 4.038 -4.358 1.00 0.00 N ATOM 0 H LYS A 42 -10.853 1.135 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.365 1.549 -7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.010 3.525 -5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.635 3.871 -7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.643 5.036 -6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.241 3.500 -7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.575 2.775 -5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.146 4.401 -4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.064 5.320 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.477 3.714 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.779 4.468 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.944 3.016 -4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.356 4.471 -3.545 1.00 0.00 H new ATOM 668 N TRP A 43 -11.997 1.655 -9.165 1.00 0.00 N ATOM 669 CA TRP A 43 -11.241 1.530 -10.409 1.00 0.00 C ATOM 670 C TRP A 43 -10.545 0.174 -10.555 1.00 0.00 C ATOM 671 O TRP A 43 -9.568 0.057 -11.287 1.00 0.00 O ATOM 672 CB TRP A 43 -10.302 2.728 -10.573 1.00 0.00 C ATOM 673 CG TRP A 43 -10.993 3.990 -10.954 1.00 0.00 C ATOM 674 CD1 TRP A 43 -12.040 4.573 -10.330 1.00 0.00 C ATOM 675 CD2 TRP A 43 -10.664 4.847 -12.073 1.00 0.00 C ATOM 676 NE1 TRP A 43 -12.373 5.733 -10.992 1.00 0.00 N ATOM 677 CE2 TRP A 43 -11.524 5.980 -12.055 1.00 0.00 C ATOM 678 CE3 TRP A 43 -9.689 4.764 -13.084 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -11.385 7.019 -12.989 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -9.514 5.819 -14.001 1.00 0.00 C ATOM 681 CH2 TRP A 43 -10.356 6.949 -13.948 1.00 0.00 C ATOM 0 H TRP A 43 -12.995 1.809 -9.310 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.946 1.552 -11.240 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.766 2.887 -9.637 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.556 2.491 -11.331 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.537 4.190 -9.451 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.152 6.337 -10.730 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.069 3.883 -13.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.059 7.862 -12.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.734 5.762 -14.746 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.212 7.762 -14.644 1.00 0.00 H new ATOM 692 N ASN A 44 -11.068 -0.857 -9.885 1.00 0.00 N ATOM 693 CA ASN A 44 -10.511 -2.197 -9.705 1.00 0.00 C ATOM 694 C ASN A 44 -9.358 -2.194 -8.702 1.00 0.00 C ATOM 695 O ASN A 44 -8.822 -3.249 -8.407 1.00 0.00 O ATOM 696 CB ASN A 44 -10.104 -2.867 -11.037 1.00 0.00 C ATOM 697 CG ASN A 44 -9.819 -4.352 -10.843 1.00 0.00 C ATOM 698 OD1 ASN A 44 -10.679 -5.087 -10.365 1.00 0.00 O ATOM 699 ND2 ASN A 44 -8.645 -4.841 -11.212 1.00 0.00 N ATOM 0 H ASN A 44 -11.969 -0.766 -9.415 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.313 -2.808 -9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.901 -2.740 -11.770 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.219 -2.374 -11.440 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.449 -5.836 -11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.937 -4.223 -11.608 1.00 0.00 H new ATOM 706 N THR A 45 -8.976 -1.061 -8.124 1.00 0.00 N ATOM 707 CA THR A 45 -7.823 -0.955 -7.251 1.00 0.00 C ATOM 708 C THR A 45 -8.289 -0.835 -5.802 1.00 0.00 C ATOM 709 O THR A 45 -9.309 -0.196 -5.523 1.00 0.00 O ATOM 710 CB THR A 45 -6.929 0.221 -7.697 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.519 1.496 -7.489 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.549 0.147 -9.181 1.00 0.00 C ATOM 0 H THR A 45 -9.470 -0.178 -8.254 1.00 0.00 H new ATOM 0 HA THR A 45 -7.212 -1.855 -7.319 1.00 0.00 H new ATOM 0 HB THR A 45 -6.045 0.118 -7.067 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.482 1.442 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.920 0.999 -9.438 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.003 -0.777 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.453 0.166 -9.790 1.00 0.00 H new ATOM 720 N PRO A 46 -7.554 -1.418 -4.855 1.00 0.00 N ATOM 721 CA PRO A 46 -7.718 -1.091 -3.453 1.00 0.00 C ATOM 722 C PRO A 46 -7.228 0.343 -3.211 1.00 0.00 C ATOM 723 O PRO A 46 -6.232 0.782 -3.793 1.00 0.00 O ATOM 724 CB PRO A 46 -6.869 -2.127 -2.721 1.00 0.00 C ATOM 725 CG PRO A 46 -5.756 -2.424 -3.719 1.00 0.00 C ATOM 726 CD PRO A 46 -6.450 -2.336 -5.060 1.00 0.00 C ATOM 0 HA PRO A 46 -8.751 -1.122 -3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.476 -1.736 -1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.443 -3.021 -2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.943 -1.702 -3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.323 -3.411 -3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.772 -1.971 -5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.806 -3.314 -5.385 1.00 0.00 H new ATOM 734 N MET A 47 -7.908 1.066 -2.329 1.00 0.00 N ATOM 735 CA MET A 47 -7.423 2.299 -1.732 1.00 0.00 C ATOM 736 C MET A 47 -7.963 2.344 -0.304 1.00 0.00 C ATOM 737 O MET A 47 -8.768 1.489 0.087 1.00 0.00 O ATOM 738 CB MET A 47 -7.793 3.523 -2.596 1.00 0.00 C ATOM 739 CG MET A 47 -9.276 3.604 -2.982 1.00 0.00 C ATOM 740 SD MET A 47 -9.808 5.145 -3.777 1.00 0.00 S ATOM 741 CE MET A 47 -9.825 6.259 -2.337 1.00 0.00 C ATOM 0 H MET A 47 -8.837 0.801 -2.002 1.00 0.00 H new ATOM 0 HA MET A 47 -6.334 2.329 -1.690 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.521 4.429 -2.055 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.194 3.504 -3.506 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.502 2.775 -3.653 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.874 3.458 -2.082 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.283 7.208 -2.616 1.00 0.00 H new ATOM 0 HE2 MET A 47 -10.399 5.803 -1.531 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.803 6.434 -2.000 1.00 0.00 H new ATOM 751 N PHE A 48 -7.526 3.319 0.493 1.00 0.00 N ATOM 752 CA PHE A 48 -8.125 3.553 1.799 1.00 0.00 C ATOM 753 C PHE A 48 -8.216 5.059 1.999 1.00 0.00 C ATOM 754 O PHE A 48 -7.428 5.828 1.440 1.00 0.00 O ATOM 755 CB PHE A 48 -7.344 2.898 2.950 1.00 0.00 C ATOM 756 CG PHE A 48 -6.689 1.542 2.723 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.455 1.465 2.046 1.00 0.00 C ATOM 758 CD2 PHE A 48 -7.231 0.378 3.298 1.00 0.00 C ATOM 759 CE1 PHE A 48 -4.739 0.256 1.975 1.00 0.00 C ATOM 760 CE2 PHE A 48 -6.535 -0.845 3.197 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.287 -0.897 2.547 1.00 0.00 C ATOM 0 H PHE A 48 -6.764 3.954 0.256 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.112 3.091 1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.562 3.594 3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.026 2.796 3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.052 2.349 1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.178 0.421 3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.777 0.219 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.960 -1.743 3.619 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.750 -1.832 2.490 1.00 0.00 H new ATOM 771 N SER A 49 -9.189 5.487 2.790 1.00 0.00 N ATOM 772 CA SER A 49 -9.599 6.871 2.909 1.00 0.00 C ATOM 773 C SER A 49 -9.650 7.232 4.386 1.00 0.00 C ATOM 774 O SER A 49 -10.437 6.662 5.140 1.00 0.00 O ATOM 775 CB SER A 49 -10.927 7.097 2.188 1.00 0.00 C ATOM 776 OG SER A 49 -11.815 5.986 2.267 1.00 0.00 O ATOM 0 H SER A 49 -9.729 4.858 3.384 1.00 0.00 H new ATOM 0 HA SER A 49 -8.880 7.533 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.417 7.974 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.728 7.319 1.139 1.00 0.00 H new ATOM 0 HG SER A 49 -12.644 6.195 1.788 1.00 0.00 H new ATOM 782 N ASN A 50 -8.773 8.137 4.809 1.00 0.00 N ATOM 783 CA ASN A 50 -8.732 8.690 6.163 1.00 0.00 C ATOM 784 C ASN A 50 -9.945 9.590 6.342 1.00 0.00 C ATOM 785 O ASN A 50 -9.906 10.740 5.919 1.00 0.00 O ATOM 786 CB ASN A 50 -7.434 9.490 6.359 1.00 0.00 C ATOM 787 CG ASN A 50 -7.401 10.134 7.740 1.00 0.00 C ATOM 788 OD1 ASN A 50 -7.483 9.424 8.736 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.241 11.441 7.835 1.00 0.00 N ATOM 0 H ASN A 50 -8.048 8.519 4.202 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.752 7.891 6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.574 8.832 6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.356 10.260 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.183 11.882 8.753 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.176 12.009 6.991 1.00 0.00 H new ATOM 796 N GLN A 51 -11.061 9.059 6.838 1.00 0.00 N ATOM 797 CA GLN A 51 -12.343 9.765 6.867 1.00 0.00 C ATOM 798 C GLN A 51 -12.692 10.413 5.509 1.00 0.00 C ATOM 799 O GLN A 51 -13.242 11.509 5.459 1.00 0.00 O ATOM 800 CB GLN A 51 -12.368 10.801 8.008 1.00 0.00 C ATOM 801 CG GLN A 51 -11.725 10.315 9.313 1.00 0.00 C ATOM 802 CD GLN A 51 -12.132 11.233 10.452 1.00 0.00 C ATOM 803 OE1 GLN A 51 -11.883 12.435 10.420 1.00 0.00 O ATOM 804 NE2 GLN A 51 -12.808 10.698 11.452 1.00 0.00 N ATOM 0 H GLN A 51 -11.103 8.120 7.234 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.116 9.021 7.061 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.853 11.703 7.676 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.403 11.080 8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.038 9.293 9.526 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.640 10.302 9.213 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.003 9.697 11.458 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.135 11.286 12.219 1.00 0.00 H new ATOM 813 N GLY A 52 -12.318 9.779 4.390 1.00 0.00 N ATOM 814 CA GLY A 52 -12.671 10.237 3.045 1.00 0.00 C ATOM 815 C GLY A 52 -11.501 10.722 2.173 1.00 0.00 C ATOM 816 O GLY A 52 -11.716 10.863 0.968 1.00 0.00 O ATOM 0 H GLY A 52 -11.757 8.927 4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.173 9.422 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.392 11.049 3.136 1.00 0.00 H new ATOM 820 N THR A 53 -10.287 10.930 2.706 1.00 0.00 N ATOM 821 CA THR A 53 -9.137 11.456 1.950 1.00 0.00 C ATOM 822 C THR A 53 -8.550 10.386 0.999 1.00 0.00 C ATOM 823 O THR A 53 -9.165 9.341 0.754 1.00 0.00 O ATOM 824 CB THR A 53 -8.065 12.014 2.916 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.596 12.394 4.157 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.314 13.242 2.391 1.00 0.00 C ATOM 0 H THR A 53 -10.073 10.736 3.684 1.00 0.00 H new ATOM 0 HA THR A 53 -9.486 12.278 1.325 1.00 0.00 H new ATOM 0 HB THR A 53 -7.378 11.173 3.013 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.868 11.595 4.655 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.583 13.566 3.132 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.802 12.986 1.463 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.022 14.049 2.204 1.00 0.00 H new ATOM 834 N PHE A 54 -7.368 10.640 0.428 1.00 0.00 N ATOM 835 CA PHE A 54 -6.725 9.837 -0.611 1.00 0.00 C ATOM 836 C PHE A 54 -5.259 9.497 -0.271 1.00 0.00 C ATOM 837 O PHE A 54 -4.473 9.137 -1.144 1.00 0.00 O ATOM 838 CB PHE A 54 -6.874 10.599 -1.936 1.00 0.00 C ATOM 839 CG PHE A 54 -6.584 9.755 -3.156 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.530 8.808 -3.589 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.369 9.903 -3.852 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.263 8.000 -4.706 1.00 0.00 C ATOM 843 CE2 PHE A 54 -5.098 9.087 -4.960 1.00 0.00 C ATOM 844 CZ PHE A 54 -6.040 8.136 -5.382 1.00 0.00 C ATOM 0 H PHE A 54 -6.809 11.451 0.692 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.212 8.865 -0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.889 10.990 -2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.201 11.457 -1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.466 8.702 -3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.649 10.642 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.993 7.279 -5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.162 9.191 -5.490 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.823 7.505 -6.231 1.00 0.00 H new ATOM 854 N ILE A 55 -4.879 9.605 1.006 1.00 0.00 N ATOM 855 CA ILE A 55 -3.502 9.541 1.506 1.00 0.00 C ATOM 856 C ILE A 55 -2.916 8.108 1.396 1.00 0.00 C ATOM 857 O ILE A 55 -1.838 7.856 1.927 1.00 0.00 O ATOM 858 CB ILE A 55 -3.400 10.137 2.952 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.271 11.400 3.192 1.00 0.00 C ATOM 860 CG2 ILE A 55 -1.952 10.548 3.307 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.514 11.714 4.678 1.00 0.00 C ATOM 0 H ILE A 55 -5.556 9.746 1.756 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.880 10.167 0.866 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.762 9.323 3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.788 12.257 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.233 11.266 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.927 10.956 4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.302 9.675 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.605 11.303 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.130 12.609 4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.026 10.874 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.559 11.881 5.176 1.00 0.00 H new ATOM 873 N ILE A 56 -3.579 7.131 0.758 1.00 0.00 N ATOM 874 CA ILE A 56 -3.013 5.845 0.386 1.00 0.00 C ATOM 875 C ILE A 56 -3.827 5.173 -0.735 1.00 0.00 C ATOM 876 O ILE A 56 -5.060 5.180 -0.710 1.00 0.00 O ATOM 877 CB ILE A 56 -2.928 4.976 1.653 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.328 3.596 1.342 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.260 4.883 2.422 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.602 3.116 2.584 1.00 0.00 C ATOM 0 H ILE A 56 -4.556 7.228 0.482 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.011 5.980 -0.022 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.245 5.484 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.112 2.893 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.641 3.659 0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.128 4.256 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.573 5.881 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.023 4.447 1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.164 2.136 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.812 3.823 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.307 3.044 3.412 1.00 0.00 H new ATOM 892 N GLY A 57 -3.136 4.489 -1.652 1.00 0.00 N ATOM 893 CA GLY A 57 -3.719 3.502 -2.556 1.00 0.00 C ATOM 894 C GLY A 57 -2.619 2.626 -3.149 1.00 0.00 C ATOM 895 O GLY A 57 -1.446 3.018 -3.143 1.00 0.00 O ATOM 0 H GLY A 57 -2.132 4.612 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.438 2.884 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.265 4.005 -3.354 1.00 0.00 H new ATOM 899 N PHE A 58 -2.943 1.440 -3.663 1.00 0.00 N ATOM 900 CA PHE A 58 -1.998 0.585 -4.387 1.00 0.00 C ATOM 901 C PHE A 58 -2.739 -0.244 -5.438 1.00 0.00 C ATOM 902 O PHE A 58 -3.964 -0.281 -5.456 1.00 0.00 O ATOM 903 CB PHE A 58 -1.156 -0.286 -3.427 1.00 0.00 C ATOM 904 CG PHE A 58 -1.867 -1.089 -2.352 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.600 -2.245 -2.676 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.706 -0.735 -1.001 1.00 0.00 C ATOM 907 CE1 PHE A 58 -3.178 -3.028 -1.662 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.271 -1.522 0.014 1.00 0.00 C ATOM 909 CZ PHE A 58 -3.009 -2.672 -0.313 1.00 0.00 C ATOM 0 H PHE A 58 -3.878 1.040 -3.589 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.285 1.222 -4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.581 -0.985 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.440 0.369 -2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.719 -2.533 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.143 0.150 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.753 -3.905 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.138 -1.243 1.049 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.444 -3.279 0.468 1.00 0.00 H new ATOM 919 N SER A 59 -2.006 -0.934 -6.311 1.00 0.00 N ATOM 920 CA SER A 59 -2.544 -1.944 -7.208 1.00 0.00 C ATOM 921 C SER A 59 -1.405 -2.911 -7.524 1.00 0.00 C ATOM 922 O SER A 59 -0.218 -2.563 -7.451 1.00 0.00 O ATOM 923 CB SER A 59 -3.163 -1.268 -8.444 1.00 0.00 C ATOM 924 OG SER A 59 -3.533 -2.176 -9.463 1.00 0.00 O ATOM 0 H SER A 59 -1.000 -0.800 -6.413 1.00 0.00 H new ATOM 0 HA SER A 59 -3.357 -2.515 -6.760 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.043 -0.703 -8.136 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.450 -0.551 -8.850 1.00 0.00 H new ATOM 0 HG SER A 59 -3.920 -1.683 -10.216 1.00 0.00 H new ATOM 930 N THR A 60 -1.762 -4.150 -7.836 1.00 0.00 N ATOM 931 CA THR A 60 -0.792 -5.186 -8.161 1.00 0.00 C ATOM 932 C THR A 60 -0.340 -4.969 -9.606 1.00 0.00 C ATOM 933 O THR A 60 -1.163 -4.814 -10.516 1.00 0.00 O ATOM 934 CB THR A 60 -1.356 -6.590 -7.869 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.515 -6.879 -8.617 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.723 -6.713 -6.388 1.00 0.00 C ATOM 0 H THR A 60 -2.732 -4.464 -7.871 1.00 0.00 H new ATOM 0 HA THR A 60 0.090 -5.117 -7.524 1.00 0.00 H new ATOM 0 HB THR A 60 -0.572 -7.294 -8.147 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.287 -6.434 -8.209 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.120 -7.709 -6.193 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.834 -6.551 -5.778 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.476 -5.966 -6.137 1.00 0.00 H new ATOM 944 N SER A 61 0.970 -4.899 -9.819 1.00 0.00 N ATOM 945 CA SER A 61 1.576 -4.831 -11.132 1.00 0.00 C ATOM 946 C SER A 61 2.109 -6.221 -11.487 1.00 0.00 C ATOM 947 O SER A 61 2.158 -7.118 -10.643 1.00 0.00 O ATOM 948 CB SER A 61 2.683 -3.776 -11.094 1.00 0.00 C ATOM 949 OG SER A 61 2.868 -3.179 -12.359 1.00 0.00 O ATOM 0 H SER A 61 1.652 -4.888 -9.060 1.00 0.00 H new ATOM 0 HA SER A 61 0.859 -4.540 -11.900 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.432 -3.009 -10.361 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.615 -4.236 -10.767 1.00 0.00 H new ATOM 0 HG SER A 61 3.772 -2.806 -12.415 1.00 0.00 H new ATOM 955 N LYS A 62 2.539 -6.393 -12.738 1.00 0.00 N ATOM 956 CA LYS A 62 2.835 -7.694 -13.334 1.00 0.00 C ATOM 957 C LYS A 62 3.949 -8.467 -12.622 1.00 0.00 C ATOM 958 O LYS A 62 4.089 -9.673 -12.848 1.00 0.00 O ATOM 959 CB LYS A 62 3.205 -7.493 -14.814 1.00 0.00 C ATOM 960 CG LYS A 62 2.707 -8.625 -15.721 1.00 0.00 C ATOM 961 CD LYS A 62 1.358 -8.382 -16.402 1.00 0.00 C ATOM 962 CE LYS A 62 0.186 -8.288 -15.425 1.00 0.00 C ATOM 963 NZ LYS A 62 -1.098 -8.546 -16.102 1.00 0.00 N ATOM 0 H LYS A 62 2.694 -5.614 -13.378 1.00 0.00 H new ATOM 0 HA LYS A 62 1.936 -8.301 -13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.787 -6.548 -15.161 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.288 -7.415 -14.903 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.456 -8.805 -16.492 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.635 -9.537 -15.128 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.413 -7.459 -16.980 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.167 -9.189 -17.109 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.325 -9.007 -14.617 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.167 -7.297 -14.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.874 -8.475 -15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.240 -7.845 -16.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.087 -9.501 -16.514 1.00 0.00 H new ATOM 977 N HIS A 63 4.765 -7.784 -11.814 1.00 0.00 N ATOM 978 CA HIS A 63 5.865 -8.385 -11.075 1.00 0.00 C ATOM 979 C HIS A 63 6.090 -7.764 -9.693 1.00 0.00 C ATOM 980 O HIS A 63 7.044 -8.141 -9.017 1.00 0.00 O ATOM 981 CB HIS A 63 7.148 -8.290 -11.920 1.00 0.00 C ATOM 982 CG HIS A 63 7.883 -9.597 -11.900 1.00 0.00 C ATOM 983 ND1 HIS A 63 8.972 -9.930 -11.127 1.00 0.00 N ATOM 984 CD2 HIS A 63 7.490 -10.713 -12.583 1.00 0.00 C ATOM 985 CE1 HIS A 63 9.255 -11.217 -11.364 1.00 0.00 C ATOM 986 NE2 HIS A 63 8.368 -11.742 -12.234 1.00 0.00 N ATOM 0 H HIS A 63 4.673 -6.780 -11.656 1.00 0.00 H new ATOM 0 HA HIS A 63 5.599 -9.426 -10.892 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.897 -8.022 -12.946 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.789 -7.499 -11.532 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.656 -10.786 -13.265 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.078 -11.759 -10.921 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.343 -12.704 -12.572 1.00 0.00 H new ATOM 994 N HIS A 64 5.286 -6.781 -9.277 1.00 0.00 N ATOM 995 CA HIS A 64 5.561 -5.977 -8.095 1.00 0.00 C ATOM 996 C HIS A 64 4.273 -5.340 -7.570 1.00 0.00 C ATOM 997 O HIS A 64 3.358 -5.079 -8.353 1.00 0.00 O ATOM 998 CB HIS A 64 6.614 -4.902 -8.444 1.00 0.00 C ATOM 999 CG HIS A 64 6.390 -4.133 -9.728 1.00 0.00 C ATOM 1000 ND1 HIS A 64 7.034 -4.342 -10.929 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.626 -3.008 -9.871 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.643 -3.378 -11.778 1.00 0.00 C ATOM 1003 NE2 HIS A 64 5.770 -2.549 -11.186 1.00 0.00 N ATOM 0 H HIS A 64 4.423 -6.524 -9.757 1.00 0.00 H new ATOM 0 HA HIS A 64 5.958 -6.614 -7.305 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.659 -4.188 -7.622 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.590 -5.385 -8.501 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.018 -2.553 -9.103 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.985 -3.283 -12.798 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.305 -1.746 -11.609 1.00 0.00 H new ATOM 1011 N LEU A 65 4.205 -5.027 -6.274 1.00 0.00 N ATOM 1012 CA LEU A 65 3.152 -4.183 -5.705 1.00 0.00 C ATOM 1013 C LEU A 65 3.657 -2.750 -5.703 1.00 0.00 C ATOM 1014 O LEU A 65 4.734 -2.502 -5.163 1.00 0.00 O ATOM 1015 CB LEU A 65 2.824 -4.585 -4.259 1.00 0.00 C ATOM 1016 CG LEU A 65 1.638 -3.777 -3.688 1.00 0.00 C ATOM 1017 CD1 LEU A 65 0.296 -4.217 -4.279 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.575 -3.957 -2.176 1.00 0.00 C ATOM 0 H LEU A 65 4.883 -5.354 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 65 2.248 -4.297 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.589 -5.649 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.702 -4.432 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 65 1.807 -2.733 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.506 -3.619 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.311 -4.076 -5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.126 -5.270 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.737 -3.386 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.440 -5.013 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.503 -3.602 -1.728 1.00 0.00 H new ATOM 1030 N SER A 66 2.891 -1.808 -6.253 1.00 0.00 N ATOM 1031 CA SER A 66 3.285 -0.403 -6.318 1.00 0.00 C ATOM 1032 C SER A 66 2.559 0.371 -5.211 1.00 0.00 C ATOM 1033 O SER A 66 1.329 0.376 -5.163 1.00 0.00 O ATOM 1034 CB SER A 66 3.033 0.173 -7.721 1.00 0.00 C ATOM 1035 OG SER A 66 3.176 -0.808 -8.736 1.00 0.00 O ATOM 0 H SER A 66 1.978 -1.999 -6.666 1.00 0.00 H new ATOM 0 HA SER A 66 4.357 -0.305 -6.145 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.029 0.594 -7.764 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.730 0.990 -7.907 1.00 0.00 H new ATOM 0 HG SER A 66 3.006 -0.401 -9.611 1.00 0.00 H new ATOM 1041 N VAL A 67 3.299 0.988 -4.295 1.00 0.00 N ATOM 1042 CA VAL A 67 2.870 1.508 -3.000 1.00 0.00 C ATOM 1043 C VAL A 67 3.298 2.978 -2.887 1.00 0.00 C ATOM 1044 O VAL A 67 4.403 3.337 -3.298 1.00 0.00 O ATOM 1045 CB VAL A 67 3.517 0.645 -1.887 1.00 0.00 C ATOM 1046 CG1 VAL A 67 3.110 1.110 -0.482 1.00 0.00 C ATOM 1047 CG2 VAL A 67 3.133 -0.837 -2.017 1.00 0.00 C ATOM 0 H VAL A 67 4.294 1.150 -4.451 1.00 0.00 H new ATOM 0 HA VAL A 67 1.786 1.459 -2.896 1.00 0.00 H new ATOM 0 HB VAL A 67 4.592 0.766 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.588 0.475 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.425 2.143 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.027 1.042 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.607 -1.407 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.050 -0.940 -1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.469 -1.217 -2.982 1.00 0.00 H new ATOM 1057 N SER A 68 2.432 3.830 -2.334 1.00 0.00 N ATOM 1058 CA SER A 68 2.729 5.194 -1.907 1.00 0.00 C ATOM 1059 C SER A 68 1.572 5.660 -1.010 1.00 0.00 C ATOM 1060 O SER A 68 0.469 5.101 -1.110 1.00 0.00 O ATOM 1061 CB SER A 68 2.851 6.112 -3.135 1.00 0.00 C ATOM 1062 OG SER A 68 3.299 7.406 -2.770 1.00 0.00 O ATOM 0 H SER A 68 1.460 3.573 -2.165 1.00 0.00 H new ATOM 0 HA SER A 68 3.672 5.231 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.545 5.673 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.884 6.187 -3.633 1.00 0.00 H new ATOM 0 HG SER A 68 2.788 8.081 -3.264 1.00 0.00 H new ATOM 1068 N PRO A 69 1.784 6.662 -0.142 1.00 0.00 N ATOM 1069 CA PRO A 69 0.692 7.415 0.435 1.00 0.00 C ATOM 1070 C PRO A 69 0.154 8.460 -0.551 1.00 0.00 C ATOM 1071 O PRO A 69 -0.990 8.361 -0.973 1.00 0.00 O ATOM 1072 CB PRO A 69 1.271 8.068 1.692 1.00 0.00 C ATOM 1073 CG PRO A 69 2.779 8.127 1.438 1.00 0.00 C ATOM 1074 CD PRO A 69 3.046 6.955 0.505 1.00 0.00 C ATOM 0 HA PRO A 69 -0.159 6.777 0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.856 9.064 1.848 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.042 7.484 2.583 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.069 9.073 0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.343 8.034 2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.811 7.208 -0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.410 6.090 1.060 1.00 0.00 H new ATOM 1082 N GLU A 70 1.005 9.370 -1.040 1.00 0.00 N ATOM 1083 CA GLU A 70 0.681 10.318 -2.104 1.00 0.00 C ATOM 1084 C GLU A 70 1.970 10.510 -2.904 1.00 0.00 C ATOM 1085 O GLU A 70 2.232 9.741 -3.830 1.00 0.00 O ATOM 1086 CB GLU A 70 0.137 11.665 -1.562 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.194 11.553 -0.810 1.00 0.00 C ATOM 1088 CD GLU A 70 -1.904 12.900 -0.602 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.225 13.921 -0.338 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -3.154 12.928 -0.681 1.00 0.00 O ATOM 0 H GLU A 70 1.960 9.467 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.123 9.929 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.881 12.102 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.012 12.355 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.856 10.885 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.014 11.094 0.162 1.00 0.00 H new ATOM 1097 N GLU A 71 2.824 11.440 -2.456 1.00 0.00 N ATOM 1098 CA GLU A 71 4.069 11.804 -3.128 1.00 0.00 C ATOM 1099 C GLU A 71 5.223 12.116 -2.163 1.00 0.00 C ATOM 1100 O GLU A 71 6.353 11.754 -2.485 1.00 0.00 O ATOM 1101 CB GLU A 71 3.843 12.935 -4.144 1.00 0.00 C ATOM 1102 CG GLU A 71 3.111 14.183 -3.649 1.00 0.00 C ATOM 1103 CD GLU A 71 2.949 15.220 -4.778 1.00 0.00 C ATOM 1104 OE1 GLU A 71 3.827 15.328 -5.668 1.00 0.00 O ATOM 1105 OE2 GLU A 71 1.902 15.903 -4.848 1.00 0.00 O ATOM 0 H GLU A 71 2.661 11.968 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 71 4.388 10.918 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.815 13.244 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.283 12.526 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.130 13.904 -3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.663 14.627 -2.821 1.00 0.00 H new ATOM 1112 N ILE A 72 4.987 12.676 -0.962 1.00 0.00 N ATOM 1113 CA ILE A 72 6.086 12.986 -0.029 1.00 0.00 C ATOM 1114 C ILE A 72 6.888 11.731 0.326 1.00 0.00 C ATOM 1115 O ILE A 72 8.112 11.778 0.457 1.00 0.00 O ATOM 1116 CB ILE A 72 5.563 13.736 1.218 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.724 14.353 2.032 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.683 12.875 2.148 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.264 15.412 3.036 1.00 0.00 C ATOM 0 H ILE A 72 4.058 12.920 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 72 6.779 13.661 -0.531 1.00 0.00 H new ATOM 0 HB ILE A 72 4.926 14.527 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.246 13.559 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.442 14.801 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.357 13.474 2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.811 12.520 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.258 12.021 2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.128 15.804 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.767 16.225 2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.569 14.963 3.745 1.00 0.00 H new ATOM 1131 N GLY A 73 6.208 10.585 0.416 1.00 0.00 N ATOM 1132 CA GLY A 73 6.813 9.277 0.644 1.00 0.00 C ATOM 1133 C GLY A 73 7.862 8.903 -0.410 1.00 0.00 C ATOM 1134 O GLY A 73 8.690 8.032 -0.162 1.00 0.00 O ATOM 0 H GLY A 73 5.193 10.544 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.278 9.266 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.030 8.519 0.653 1.00 0.00 H new ATOM 1138 N ILE A 74 7.846 9.557 -1.574 1.00 0.00 N ATOM 1139 CA ILE A 74 8.692 9.308 -2.738 1.00 0.00 C ATOM 1140 C ILE A 74 9.665 10.481 -2.939 1.00 0.00 C ATOM 1141 O ILE A 74 10.470 10.467 -3.877 1.00 0.00 O ATOM 1142 CB ILE A 74 7.802 9.082 -3.988 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.507 8.284 -3.716 1.00 0.00 C ATOM 1144 CG2 ILE A 74 8.591 8.404 -5.124 1.00 0.00 C ATOM 1145 CD1 ILE A 74 6.741 6.892 -3.116 1.00 0.00 C ATOM 0 H ILE A 74 7.196 10.326 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 74 9.286 8.408 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 74 7.496 10.084 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.875 8.858 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.957 8.177 -4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.938 8.260 -5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.433 9.035 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.961 7.437 -4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.782 6.399 -2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.345 6.297 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.262 6.989 -2.164 1.00 0.00 H new ATOM 1157 N SER A 75 9.631 11.485 -2.061 1.00 0.00 N ATOM 1158 CA SER A 75 10.517 12.629 -2.146 1.00 0.00 C ATOM 1159 C SER A 75 11.386 12.694 -0.885 1.00 0.00 C ATOM 1160 O SER A 75 12.599 12.518 -0.967 1.00 0.00 O ATOM 1161 CB SER A 75 9.665 13.879 -2.381 1.00 0.00 C ATOM 1162 OG SER A 75 8.932 13.762 -3.582 1.00 0.00 O ATOM 0 H SER A 75 8.985 11.520 -1.273 1.00 0.00 H new ATOM 0 HA SER A 75 11.209 12.549 -2.984 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.982 14.023 -1.544 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.306 14.760 -2.424 1.00 0.00 H new ATOM 0 HG SER A 75 8.392 14.569 -3.716 1.00 0.00 H new ATOM 1168 N GLN A 76 10.764 12.844 0.287 1.00 0.00 N ATOM 1169 CA GLN A 76 11.362 13.052 1.594 1.00 0.00 C ATOM 1170 C GLN A 76 11.954 11.731 2.044 1.00 0.00 C ATOM 1171 O GLN A 76 13.128 11.647 2.398 1.00 0.00 O ATOM 1172 CB GLN A 76 10.226 13.543 2.515 1.00 0.00 C ATOM 1173 CG GLN A 76 10.373 13.385 4.030 1.00 0.00 C ATOM 1174 CD GLN A 76 11.604 14.081 4.605 1.00 0.00 C ATOM 1175 OE1 GLN A 76 12.002 15.150 4.158 1.00 0.00 O ATOM 1176 NE2 GLN A 76 12.240 13.488 5.598 1.00 0.00 N ATOM 0 H GLN A 76 9.746 12.820 0.343 1.00 0.00 H new ATOM 0 HA GLN A 76 12.164 13.790 1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.071 14.602 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.315 13.024 2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.482 13.783 4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.421 12.323 4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.900 12.598 5.962 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.072 13.920 6.001 1.00 0.00 H new ATOM 1185 N PHE A 77 11.140 10.677 2.003 1.00 0.00 N ATOM 1186 CA PHE A 77 11.506 9.359 2.492 1.00 0.00 C ATOM 1187 C PHE A 77 12.243 8.525 1.438 1.00 0.00 C ATOM 1188 O PHE A 77 12.553 7.350 1.653 1.00 0.00 O ATOM 1189 CB PHE A 77 10.270 8.654 3.039 1.00 0.00 C ATOM 1190 CG PHE A 77 9.468 9.428 4.074 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.521 10.378 3.651 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.597 9.143 5.447 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.673 10.998 4.575 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.683 9.695 6.372 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.735 10.641 5.925 1.00 0.00 C ATOM 0 H PHE A 77 10.195 10.721 1.622 1.00 0.00 H new ATOM 0 HA PHE A 77 12.219 9.481 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.613 8.414 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.581 7.708 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.448 10.631 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 77 10.395 8.502 5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.972 11.751 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.709 9.397 7.410 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.053 11.092 6.631 1.00 0.00 H new ATOM 1205 N ALA A 78 12.523 9.128 0.284 1.00 0.00 N ATOM 1206 CA ALA A 78 13.056 8.458 -0.878 1.00 0.00 C ATOM 1207 C ALA A 78 14.445 7.877 -0.635 1.00 0.00 C ATOM 1208 O ALA A 78 14.757 6.839 -1.218 1.00 0.00 O ATOM 1209 CB ALA A 78 13.120 9.452 -2.026 1.00 0.00 C ATOM 0 H ALA A 78 12.377 10.127 0.138 1.00 0.00 H new ATOM 0 HA ALA A 78 12.396 7.624 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.521 8.960 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.119 9.825 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.766 10.285 -1.750 1.00 0.00 H new ATOM 1215 N ASP A 79 15.268 8.508 0.204 1.00 0.00 N ATOM 1216 CA ASP A 79 16.646 8.067 0.421 1.00 0.00 C ATOM 1217 C ASP A 79 16.601 6.756 1.180 1.00 0.00 C ATOM 1218 O ASP A 79 17.366 5.834 0.892 1.00 0.00 O ATOM 1219 CB ASP A 79 17.480 9.040 1.274 1.00 0.00 C ATOM 1220 CG ASP A 79 17.775 10.411 0.676 1.00 0.00 C ATOM 1221 OD1 ASP A 79 17.258 10.744 -0.417 1.00 0.00 O ATOM 1222 OD2 ASP A 79 18.488 11.184 1.355 1.00 0.00 O ATOM 0 H ASP A 79 15.002 9.330 0.746 1.00 0.00 H new ATOM 0 HA ASP A 79 17.112 7.993 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.962 9.189 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.431 8.559 1.503 1.00 0.00 H new ATOM 1227 N ALA A 80 15.735 6.686 2.191 1.00 0.00 N ATOM 1228 CA ALA A 80 15.579 5.513 3.024 1.00 0.00 C ATOM 1229 C ALA A 80 15.087 4.332 2.174 1.00 0.00 C ATOM 1230 O ALA A 80 15.617 3.231 2.333 1.00 0.00 O ATOM 1231 CB ALA A 80 14.654 5.885 4.199 1.00 0.00 C ATOM 0 H ALA A 80 15.119 7.456 2.451 1.00 0.00 H new ATOM 0 HA ALA A 80 16.526 5.183 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.519 5.017 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 80 15.102 6.697 4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.686 6.204 3.813 1.00 0.00 H new ATOM 1237 N ILE A 81 14.175 4.562 1.214 1.00 0.00 N ATOM 1238 CA ILE A 81 13.790 3.551 0.221 1.00 0.00 C ATOM 1239 C ILE A 81 15.011 3.168 -0.634 1.00 0.00 C ATOM 1240 O ILE A 81 15.258 1.981 -0.856 1.00 0.00 O ATOM 1241 CB ILE A 81 12.638 4.045 -0.700 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.361 4.432 0.077 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.282 2.966 -1.752 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.348 5.206 -0.782 1.00 0.00 C ATOM 0 H ILE A 81 13.687 5.451 1.107 1.00 0.00 H new ATOM 0 HA ILE A 81 13.427 2.678 0.764 1.00 0.00 H new ATOM 0 HB ILE A 81 13.011 4.945 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.888 3.528 0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.637 5.039 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.474 3.330 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.158 2.753 -2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.963 2.055 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.472 5.450 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.806 6.126 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.046 4.592 -1.630 1.00 0.00 H new ATOM 1256 N ALA A 82 15.730 4.165 -1.166 1.00 0.00 N ATOM 1257 CA ALA A 82 16.781 3.974 -2.160 1.00 0.00 C ATOM 1258 C ALA A 82 17.839 3.014 -1.638 1.00 0.00 C ATOM 1259 O ALA A 82 18.160 2.032 -2.310 1.00 0.00 O ATOM 1260 CB ALA A 82 17.436 5.312 -2.521 1.00 0.00 C ATOM 0 H ALA A 82 15.591 5.142 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 82 16.324 3.551 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.217 5.146 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.684 5.987 -2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.874 5.756 -1.627 1.00 0.00 H new ATOM 1266 N GLN A 83 18.330 3.298 -0.434 1.00 0.00 N ATOM 1267 CA GLN A 83 19.370 2.548 0.247 1.00 0.00 C ATOM 1268 C GLN A 83 18.984 1.095 0.507 1.00 0.00 C ATOM 1269 O GLN A 83 19.875 0.270 0.698 1.00 0.00 O ATOM 1270 CB GLN A 83 19.666 3.241 1.569 1.00 0.00 C ATOM 1271 CG GLN A 83 20.472 4.531 1.371 1.00 0.00 C ATOM 1272 CD GLN A 83 20.454 5.354 2.647 1.00 0.00 C ATOM 1273 OE1 GLN A 83 21.306 5.217 3.515 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.430 6.165 2.819 1.00 0.00 N ATOM 0 H GLN A 83 17.996 4.092 0.113 1.00 0.00 H new ATOM 0 HA GLN A 83 20.248 2.526 -0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.729 3.473 2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 83 20.220 2.563 2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.499 4.290 1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 83 20.052 5.110 0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.730 6.266 2.084 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.337 6.692 3.687 1.00 0.00 H new ATOM 1283 N ALA A 84 17.688 0.769 0.538 1.00 0.00 N ATOM 1284 CA ALA A 84 17.242 -0.598 0.739 1.00 0.00 C ATOM 1285 C ALA A 84 17.262 -1.410 -0.568 1.00 0.00 C ATOM 1286 O ALA A 84 17.137 -2.636 -0.524 1.00 0.00 O ATOM 1287 CB ALA A 84 15.855 -0.587 1.379 1.00 0.00 C ATOM 0 H ALA A 84 16.931 1.444 0.425 1.00 0.00 H new ATOM 0 HA ALA A 84 17.938 -1.097 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.517 -1.612 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.901 -0.073 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.156 -0.068 0.723 1.00 0.00 H new ATOM 1293 N GLY A 85 17.462 -0.765 -1.726 1.00 0.00 N ATOM 1294 CA GLY A 85 17.648 -1.434 -3.015 1.00 0.00 C ATOM 1295 C GLY A 85 16.363 -1.571 -3.836 1.00 0.00 C ATOM 1296 O GLY A 85 16.350 -2.326 -4.813 1.00 0.00 O ATOM 0 H GLY A 85 17.499 0.252 -1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.382 -0.879 -3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.064 -2.427 -2.841 1.00 0.00 H new ATOM 1300 N TYR A 86 15.278 -0.889 -3.446 1.00 0.00 N ATOM 1301 CA TYR A 86 13.956 -1.041 -4.050 1.00 0.00 C ATOM 1302 C TYR A 86 13.689 0.050 -5.085 1.00 0.00 C ATOM 1303 O TYR A 86 13.467 1.209 -4.727 1.00 0.00 O ATOM 1304 CB TYR A 86 12.884 -1.055 -2.955 1.00 0.00 C ATOM 1305 CG TYR A 86 12.990 -2.239 -2.016 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.892 -3.546 -2.534 1.00 0.00 C ATOM 1307 CD2 TYR A 86 13.222 -2.049 -0.638 1.00 0.00 C ATOM 1308 CE1 TYR A 86 13.033 -4.657 -1.686 1.00 0.00 C ATOM 1309 CE2 TYR A 86 13.354 -3.158 0.214 1.00 0.00 C ATOM 1310 CZ TYR A 86 13.248 -4.464 -0.307 1.00 0.00 C ATOM 1311 OH TYR A 86 13.377 -5.542 0.504 1.00 0.00 O ATOM 0 H TYR A 86 15.299 -0.206 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 86 13.920 -1.993 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.957 -0.135 -2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 86 11.899 -1.060 -3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.708 -3.694 -3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.298 -1.049 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.977 -5.657 -2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.537 -3.010 1.268 1.00 0.00 H new ATOM 0 HH TYR A 86 12.495 -5.937 0.666 1.00 0.00 H new ATOM 1321 N SER A 87 13.704 -0.323 -6.366 1.00 0.00 N ATOM 1322 CA SER A 87 13.498 0.530 -7.533 1.00 0.00 C ATOM 1323 C SER A 87 12.115 1.196 -7.502 1.00 0.00 C ATOM 1324 O SER A 87 11.105 0.580 -7.875 1.00 0.00 O ATOM 1325 CB SER A 87 13.723 -0.275 -8.833 1.00 0.00 C ATOM 1326 OG SER A 87 14.060 -1.634 -8.603 1.00 0.00 O ATOM 0 H SER A 87 13.872 -1.294 -6.631 1.00 0.00 H new ATOM 0 HA SER A 87 14.234 1.334 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.819 -0.230 -9.440 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.518 0.196 -9.410 1.00 0.00 H new ATOM 0 HG SER A 87 14.188 -2.089 -9.461 1.00 0.00 H new ATOM 1332 N ALA A 88 12.053 2.451 -7.053 1.00 0.00 N ATOM 1333 CA ALA A 88 10.841 3.266 -7.031 1.00 0.00 C ATOM 1334 C ALA A 88 10.581 3.930 -8.397 1.00 0.00 C ATOM 1335 O ALA A 88 11.281 3.632 -9.368 1.00 0.00 O ATOM 1336 CB ALA A 88 10.961 4.273 -5.877 1.00 0.00 C ATOM 0 H ALA A 88 12.869 2.940 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 88 9.966 2.641 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.066 4.894 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.068 3.736 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.835 4.905 -6.035 1.00 0.00 H new ATOM 1342 N THR A 89 9.545 4.766 -8.497 1.00 0.00 N ATOM 1343 CA THR A 89 9.290 5.695 -9.595 1.00 0.00 C ATOM 1344 C THR A 89 9.288 7.113 -9.019 1.00 0.00 C ATOM 1345 O THR A 89 9.758 7.351 -7.905 1.00 0.00 O ATOM 1346 CB THR A 89 7.983 5.381 -10.365 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.818 5.775 -9.657 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.860 3.917 -10.771 1.00 0.00 C ATOM 0 H THR A 89 8.825 4.814 -7.776 1.00 0.00 H new ATOM 0 HA THR A 89 10.080 5.592 -10.339 1.00 0.00 H new ATOM 0 HB THR A 89 8.055 5.979 -11.274 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.023 5.556 -10.187 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.923 3.765 -11.306 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.695 3.647 -11.418 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.874 3.290 -9.880 1.00 0.00 H new ATOM 1356 N LYS A 90 8.773 8.072 -9.786 1.00 0.00 N ATOM 1357 CA LYS A 90 8.600 9.448 -9.358 1.00 0.00 C ATOM 1358 C LYS A 90 7.304 9.718 -8.608 1.00 0.00 C ATOM 1359 O LYS A 90 7.110 10.834 -8.145 1.00 0.00 O ATOM 1360 CB LYS A 90 8.676 10.383 -10.555 1.00 0.00 C ATOM 1361 CG LYS A 90 7.571 10.243 -11.614 1.00 0.00 C ATOM 1362 CD LYS A 90 7.919 9.278 -12.754 1.00 0.00 C ATOM 1363 CE LYS A 90 6.701 8.582 -13.378 1.00 0.00 C ATOM 1364 NZ LYS A 90 5.647 9.509 -13.825 1.00 0.00 N ATOM 0 H LYS A 90 8.459 7.905 -10.742 1.00 0.00 H new ATOM 0 HA LYS A 90 9.413 9.634 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.665 11.409 -10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.638 10.230 -11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.657 9.901 -11.128 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.359 11.226 -12.035 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.449 9.828 -13.532 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.604 8.519 -12.377 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.032 7.986 -14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.278 7.890 -12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.867 8.968 -14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.291 10.049 -13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.038 10.165 -14.531 1.00 0.00 H new ATOM 1378 N GLY A 91 6.369 8.774 -8.558 1.00 0.00 N ATOM 1379 CA GLY A 91 5.057 8.989 -7.950 1.00 0.00 C ATOM 1380 C GLY A 91 4.624 7.828 -7.078 1.00 0.00 C ATOM 1381 O GLY A 91 3.549 7.881 -6.481 1.00 0.00 O ATOM 0 H GLY A 91 6.498 7.836 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.083 9.899 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.317 9.145 -8.735 1.00 0.00 H new ATOM 1385 N LEU A 92 5.450 6.782 -7.009 1.00 0.00 N ATOM 1386 CA LEU A 92 5.276 5.679 -6.060 1.00 0.00 C ATOM 1387 C LEU A 92 6.571 4.877 -5.918 1.00 0.00 C ATOM 1388 O LEU A 92 7.545 5.159 -6.612 1.00 0.00 O ATOM 1389 CB LEU A 92 4.054 4.804 -6.423 1.00 0.00 C ATOM 1390 CG LEU A 92 3.947 4.224 -7.842 1.00 0.00 C ATOM 1391 CD1 LEU A 92 5.057 3.216 -8.139 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.573 3.565 -7.988 1.00 0.00 C ATOM 0 H LEU A 92 6.264 6.675 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 92 5.058 6.099 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.028 3.968 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.158 5.399 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 92 4.063 5.034 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.940 2.834 -9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.027 3.705 -8.046 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.997 2.390 -7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.475 3.146 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.471 2.769 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.793 4.310 -7.829 1.00 0.00 H new ATOM 1404 N PHE A 93 6.613 3.877 -5.033 1.00 0.00 N ATOM 1405 CA PHE A 93 7.692 2.880 -4.980 1.00 0.00 C ATOM 1406 C PHE A 93 7.111 1.486 -5.220 1.00 0.00 C ATOM 1407 O PHE A 93 5.897 1.324 -5.174 1.00 0.00 O ATOM 1408 CB PHE A 93 8.517 2.977 -3.684 1.00 0.00 C ATOM 1409 CG PHE A 93 7.777 2.634 -2.405 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.656 1.296 -1.980 1.00 0.00 C ATOM 1411 CD2 PHE A 93 7.207 3.658 -1.628 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.929 0.992 -0.817 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.474 3.355 -0.470 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.328 2.018 -0.076 1.00 0.00 C ATOM 0 H PHE A 93 5.893 3.733 -4.325 1.00 0.00 H new ATOM 0 HA PHE A 93 8.403 3.090 -5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.378 2.314 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.904 3.992 -3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.122 0.504 -2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.335 4.688 -1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.833 -0.034 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.026 4.146 0.113 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.749 1.777 0.803 1.00 0.00 H new ATOM 1424 N ARG A 94 7.932 0.468 -5.527 1.00 0.00 N ATOM 1425 CA ARG A 94 7.436 -0.904 -5.671 1.00 0.00 C ATOM 1426 C ARG A 94 8.499 -1.880 -5.206 1.00 0.00 C ATOM 1427 O ARG A 94 9.688 -1.560 -5.261 1.00 0.00 O ATOM 1428 CB ARG A 94 7.022 -1.303 -7.107 1.00 0.00 C ATOM 1429 CG ARG A 94 6.618 -0.185 -8.071 1.00 0.00 C ATOM 1430 CD ARG A 94 7.873 0.455 -8.660 1.00 0.00 C ATOM 1431 NE ARG A 94 7.797 0.488 -10.124 1.00 0.00 N ATOM 1432 CZ ARG A 94 8.777 0.806 -10.968 1.00 0.00 C ATOM 1433 NH1 ARG A 94 10.018 1.021 -10.546 1.00 0.00 N ATOM 1434 NH2 ARG A 94 8.474 0.898 -12.255 1.00 0.00 N ATOM 0 H ARG A 94 8.935 0.571 -5.679 1.00 0.00 H new ATOM 0 HA ARG A 94 6.534 -0.944 -5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.853 -1.848 -7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.187 -1.999 -7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.992 -0.586 -8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.025 0.565 -7.547 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.987 1.468 -8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.754 -0.106 -8.349 1.00 0.00 H new ATOM 0 HE ARG A 94 6.899 0.241 -10.540 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.240 0.944 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.749 1.263 -11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.518 0.727 -12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.197 1.139 -12.933 1.00 0.00 H new ATOM 1448 N ILE A 95 8.073 -3.092 -4.867 1.00 0.00 N ATOM 1449 CA ILE A 95 8.941 -4.196 -4.491 1.00 0.00 C ATOM 1450 C ILE A 95 8.539 -5.354 -5.404 1.00 0.00 C ATOM 1451 O ILE A 95 7.334 -5.514 -5.620 1.00 0.00 O ATOM 1452 CB ILE A 95 8.690 -4.545 -3.002 1.00 0.00 C ATOM 1453 CG1 ILE A 95 8.846 -3.329 -2.058 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.624 -5.654 -2.500 1.00 0.00 C ATOM 1455 CD1 ILE A 95 7.567 -2.489 -1.914 1.00 0.00 C ATOM 0 H ILE A 95 7.083 -3.338 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 95 10.001 -3.964 -4.600 1.00 0.00 H new ATOM 0 HB ILE A 95 7.655 -4.887 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.151 -3.682 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.648 -2.692 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.410 -5.863 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.467 -6.557 -3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.660 -5.331 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.754 -1.655 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.272 -2.105 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.767 -3.110 -1.512 1.00 0.00 H new ATOM 1467 N PRO A 96 9.476 -6.192 -5.882 1.00 0.00 N ATOM 1468 CA PRO A 96 9.122 -7.368 -6.660 1.00 0.00 C ATOM 1469 C PRO A 96 8.526 -8.427 -5.736 1.00 0.00 C ATOM 1470 O PRO A 96 8.872 -8.474 -4.557 1.00 0.00 O ATOM 1471 CB PRO A 96 10.422 -7.842 -7.310 1.00 0.00 C ATOM 1472 CG PRO A 96 11.489 -7.381 -6.319 1.00 0.00 C ATOM 1473 CD PRO A 96 10.923 -6.073 -5.767 1.00 0.00 C ATOM 0 HA PRO A 96 8.372 -7.160 -7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.436 -8.924 -7.444 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.567 -7.397 -8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.647 -8.115 -5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.451 -7.227 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.223 -5.923 -4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.292 -5.217 -6.332 1.00 0.00 H new ATOM 1481 N TRP A 97 7.678 -9.314 -6.250 1.00 0.00 N ATOM 1482 CA TRP A 97 7.095 -10.388 -5.441 1.00 0.00 C ATOM 1483 C TRP A 97 8.149 -11.332 -4.848 1.00 0.00 C ATOM 1484 O TRP A 97 7.884 -11.989 -3.841 1.00 0.00 O ATOM 1485 CB TRP A 97 6.075 -11.165 -6.268 1.00 0.00 C ATOM 1486 CG TRP A 97 4.990 -10.325 -6.861 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.688 -10.244 -8.175 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.028 -9.476 -6.172 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.589 -9.426 -8.346 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.139 -8.932 -7.142 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.801 -9.132 -4.823 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.053 -8.126 -6.785 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.703 -8.337 -4.449 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.820 -7.850 -5.427 1.00 0.00 C ATOM 0 H TRP A 97 7.377 -9.313 -7.225 1.00 0.00 H new ATOM 0 HA TRP A 97 6.596 -9.919 -4.593 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.597 -11.683 -7.072 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.622 -11.930 -5.638 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.224 -10.742 -8.969 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.165 -9.215 -9.249 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.483 -9.486 -4.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.401 -7.720 -7.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.538 -8.100 -3.408 1.00 0.00 H new ATOM 0 HH2 TRP A 97 0.962 -7.263 -5.135 1.00 0.00 H new ATOM 1505 N ASN A 98 9.340 -11.370 -5.449 1.00 0.00 N ATOM 1506 CA ASN A 98 10.514 -12.113 -5.011 1.00 0.00 C ATOM 1507 C ASN A 98 10.945 -11.725 -3.597 1.00 0.00 C ATOM 1508 O ASN A 98 11.187 -12.602 -2.769 1.00 0.00 O ATOM 1509 CB ASN A 98 11.680 -11.849 -5.977 1.00 0.00 C ATOM 1510 CG ASN A 98 12.825 -12.820 -5.720 1.00 0.00 C ATOM 1511 OD1 ASN A 98 12.798 -13.957 -6.184 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.857 -12.416 -5.013 1.00 0.00 N ATOM 0 H ASN A 98 9.517 -10.849 -6.308 1.00 0.00 H new ATOM 0 HA ASN A 98 10.249 -13.170 -5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.336 -11.950 -7.006 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.032 -10.824 -5.858 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.641 -13.048 -4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.874 -11.471 -4.630 1.00 0.00 H new ATOM 1519 N ASP A 99 11.033 -10.426 -3.308 1.00 0.00 N ATOM 1520 CA ASP A 99 11.776 -9.880 -2.166 1.00 0.00 C ATOM 1521 C ASP A 99 10.787 -9.313 -1.133 1.00 0.00 C ATOM 1522 O ASP A 99 9.616 -9.088 -1.460 1.00 0.00 O ATOM 1523 CB ASP A 99 12.753 -8.794 -2.667 1.00 0.00 C ATOM 1524 CG ASP A 99 13.826 -9.339 -3.617 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.503 -10.344 -3.298 1.00 0.00 O ATOM 1526 OD2 ASP A 99 13.964 -8.789 -4.733 1.00 0.00 O ATOM 0 H ASP A 99 10.581 -9.707 -3.872 1.00 0.00 H new ATOM 0 HA ASP A 99 12.356 -10.666 -1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.188 -8.013 -3.177 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.239 -8.328 -1.810 1.00 0.00 H new ATOM 1531 N PRO A 100 11.186 -9.083 0.130 1.00 0.00 N ATOM 1532 CA PRO A 100 10.252 -8.620 1.146 1.00 0.00 C ATOM 1533 C PRO A 100 9.960 -7.129 1.030 1.00 0.00 C ATOM 1534 O PRO A 100 10.836 -6.324 0.708 1.00 0.00 O ATOM 1535 CB PRO A 100 10.916 -8.931 2.481 1.00 0.00 C ATOM 1536 CG PRO A 100 12.399 -8.837 2.157 1.00 0.00 C ATOM 1537 CD PRO A 100 12.475 -9.389 0.734 1.00 0.00 C ATOM 0 HA PRO A 100 9.288 -9.116 1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.626 -8.217 3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.645 -9.922 2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.760 -7.810 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.002 -9.424 2.850 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.290 -8.927 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.661 -10.463 0.739 1.00 0.00 H new ATOM 1545 N VAL A 101 8.740 -6.760 1.409 1.00 0.00 N ATOM 1546 CA VAL A 101 8.314 -5.377 1.571 1.00 0.00 C ATOM 1547 C VAL A 101 8.872 -4.869 2.907 1.00 0.00 C ATOM 1548 O VAL A 101 8.952 -5.624 3.882 1.00 0.00 O ATOM 1549 CB VAL A 101 6.771 -5.317 1.471 1.00 0.00 C ATOM 1550 CG1 VAL A 101 6.213 -3.905 1.692 1.00 0.00 C ATOM 1551 CG2 VAL A 101 6.299 -5.818 0.095 1.00 0.00 C ATOM 0 H VAL A 101 8.003 -7.433 1.617 1.00 0.00 H new ATOM 0 HA VAL A 101 8.698 -4.723 0.788 1.00 0.00 H new ATOM 0 HB VAL A 101 6.393 -5.961 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.126 -3.926 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.495 -3.554 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.621 -3.231 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.211 -5.769 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.728 -5.192 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.622 -6.849 -0.047 1.00 0.00 H new ATOM 1561 N HIS A 102 9.273 -3.597 2.967 1.00 0.00 N ATOM 1562 CA HIS A 102 9.671 -2.890 4.172 1.00 0.00 C ATOM 1563 C HIS A 102 8.434 -2.211 4.767 1.00 0.00 C ATOM 1564 O HIS A 102 8.197 -1.012 4.590 1.00 0.00 O ATOM 1565 CB HIS A 102 10.799 -1.897 3.843 1.00 0.00 C ATOM 1566 CG HIS A 102 11.976 -2.006 4.769 1.00 0.00 C ATOM 1567 ND1 HIS A 102 12.189 -1.346 5.963 1.00 0.00 N ATOM 1568 CD2 HIS A 102 13.099 -2.722 4.478 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.427 -1.657 6.379 1.00 0.00 C ATOM 1570 NE2 HIS A 102 14.025 -2.483 5.501 1.00 0.00 N ATOM 0 H HIS A 102 9.329 -3.011 2.134 1.00 0.00 H new ATOM 0 HA HIS A 102 10.069 -3.577 4.919 1.00 0.00 H new ATOM 0 HB2 HIS A 102 11.134 -2.065 2.819 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.404 -0.882 3.887 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.247 -3.357 3.617 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.879 -1.295 7.290 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.970 -2.862 5.568 1.00 0.00 H new ATOM 1578 N TYR A 103 7.636 -2.987 5.500 1.00 0.00 N ATOM 1579 CA TYR A 103 6.437 -2.498 6.169 1.00 0.00 C ATOM 1580 C TYR A 103 6.793 -1.345 7.107 1.00 0.00 C ATOM 1581 O TYR A 103 6.034 -0.391 7.241 1.00 0.00 O ATOM 1582 CB TYR A 103 5.774 -3.639 6.944 1.00 0.00 C ATOM 1583 CG TYR A 103 5.175 -4.725 6.069 1.00 0.00 C ATOM 1584 CD1 TYR A 103 5.997 -5.703 5.476 1.00 0.00 C ATOM 1585 CD2 TYR A 103 3.790 -4.760 5.838 1.00 0.00 C ATOM 1586 CE1 TYR A 103 5.442 -6.693 4.648 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.226 -5.760 5.039 1.00 0.00 C ATOM 1588 CZ TYR A 103 4.050 -6.727 4.425 1.00 0.00 C ATOM 1589 OH TYR A 103 3.516 -7.723 3.666 1.00 0.00 O ATOM 0 H TYR A 103 7.808 -3.982 5.646 1.00 0.00 H new ATOM 0 HA TYR A 103 5.734 -2.129 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.513 -4.089 7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 103 4.989 -3.225 7.577 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.061 -5.692 5.659 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.155 -4.008 6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.082 -7.428 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.157 -5.792 4.892 1.00 0.00 H new ATOM 0 HH TYR A 103 2.604 -7.913 3.970 1.00 0.00 H new ATOM 1599 N GLU A 104 7.973 -1.401 7.725 1.00 0.00 N ATOM 1600 CA GLU A 104 8.481 -0.353 8.590 1.00 0.00 C ATOM 1601 C GLU A 104 8.621 0.970 7.836 1.00 0.00 C ATOM 1602 O GLU A 104 8.033 1.965 8.251 1.00 0.00 O ATOM 1603 CB GLU A 104 9.808 -0.823 9.194 1.00 0.00 C ATOM 1604 CG GLU A 104 10.235 0.019 10.400 1.00 0.00 C ATOM 1605 CD GLU A 104 11.109 -0.828 11.332 1.00 0.00 C ATOM 1606 OE1 GLU A 104 12.335 -0.934 11.099 1.00 0.00 O ATOM 1607 OE2 GLU A 104 10.561 -1.467 12.261 1.00 0.00 O ATOM 0 H GLU A 104 8.609 -2.193 7.632 1.00 0.00 H new ATOM 0 HA GLU A 104 7.775 -0.162 9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.716 -1.866 9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.586 -0.780 8.432 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.787 0.898 10.066 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.356 0.378 10.935 1.00 0.00 H new ATOM 1614 N LEU A 105 9.349 0.984 6.710 1.00 0.00 N ATOM 1615 CA LEU A 105 9.608 2.212 5.949 1.00 0.00 C ATOM 1616 C LEU A 105 8.260 2.810 5.553 1.00 0.00 C ATOM 1617 O LEU A 105 8.006 4.005 5.713 1.00 0.00 O ATOM 1618 CB LEU A 105 10.439 1.871 4.687 1.00 0.00 C ATOM 1619 CG LEU A 105 11.568 2.822 4.255 1.00 0.00 C ATOM 1620 CD1 LEU A 105 11.070 4.185 3.781 1.00 0.00 C ATOM 1621 CD2 LEU A 105 12.622 2.974 5.350 1.00 0.00 C ATOM 0 H LEU A 105 9.772 0.149 6.304 1.00 0.00 H new ATOM 0 HA LEU A 105 10.171 2.928 6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.880 0.886 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.745 1.783 3.851 1.00 0.00 H new ATOM 0 HG LEU A 105 12.034 2.351 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.920 4.803 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.410 4.053 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.524 4.674 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.404 3.653 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 105 12.157 3.378 6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.058 2.000 5.573 1.00 0.00 H new ATOM 1633 N LEU A 106 7.372 1.961 5.031 1.00 0.00 N ATOM 1634 CA LEU A 106 6.087 2.412 4.544 1.00 0.00 C ATOM 1635 C LEU A 106 5.162 2.878 5.680 1.00 0.00 C ATOM 1636 O LEU A 106 4.421 3.834 5.439 1.00 0.00 O ATOM 1637 CB LEU A 106 5.563 1.442 3.480 1.00 0.00 C ATOM 1638 CG LEU A 106 4.621 0.331 3.931 1.00 0.00 C ATOM 1639 CD1 LEU A 106 3.194 0.854 3.859 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.795 -0.907 3.053 1.00 0.00 C ATOM 0 H LEU A 106 7.529 0.957 4.939 1.00 0.00 H new ATOM 0 HA LEU A 106 6.167 3.347 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.049 2.027 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.423 0.977 2.999 1.00 0.00 H new ATOM 0 HG LEU A 106 4.851 0.039 4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.504 0.073 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.090 1.720 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.964 1.145 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.115 -1.690 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.572 -0.653 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.823 -1.263 3.126 1.00 0.00 H new ATOM 1652 N LYS A 107 5.253 2.346 6.913 1.00 0.00 N ATOM 1653 CA LYS A 107 4.457 2.842 8.035 1.00 0.00 C ATOM 1654 C LYS A 107 4.912 4.246 8.450 1.00 0.00 C ATOM 1655 O LYS A 107 4.056 5.107 8.634 1.00 0.00 O ATOM 1656 CB LYS A 107 4.388 1.826 9.205 1.00 0.00 C ATOM 1657 CG LYS A 107 5.343 1.928 10.400 1.00 0.00 C ATOM 1658 CD LYS A 107 4.980 0.921 11.509 1.00 0.00 C ATOM 1659 CE LYS A 107 5.256 -0.554 11.164 1.00 0.00 C ATOM 1660 NZ LYS A 107 6.324 -1.164 11.996 1.00 0.00 N ATOM 0 H LYS A 107 5.873 1.572 7.151 1.00 0.00 H new ATOM 0 HA LYS A 107 3.424 2.944 7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.374 1.867 9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.522 0.834 8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.365 1.748 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.313 2.940 10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.538 1.178 12.409 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.922 1.031 11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.337 -1.127 11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.537 -0.627 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.460 -2.156 11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.212 -0.640 11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.049 -1.124 12.998 1.00 0.00 H new ATOM 1674 N GLN A 108 6.224 4.524 8.520 1.00 0.00 N ATOM 1675 CA GLN A 108 6.703 5.838 8.984 1.00 0.00 C ATOM 1676 C GLN A 108 6.167 6.981 8.118 1.00 0.00 C ATOM 1677 O GLN A 108 5.821 8.037 8.641 1.00 0.00 O ATOM 1678 CB GLN A 108 8.238 5.913 9.097 1.00 0.00 C ATOM 1679 CG GLN A 108 8.855 4.765 9.907 1.00 0.00 C ATOM 1680 CD GLN A 108 10.199 5.101 10.552 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.420 4.783 11.717 1.00 0.00 O ATOM 1682 NE2 GLN A 108 11.138 5.708 9.846 1.00 0.00 N ATOM 0 H GLN A 108 6.963 3.868 8.266 1.00 0.00 H new ATOM 0 HA GLN A 108 6.303 5.958 9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.668 5.911 8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.513 6.861 9.559 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.154 4.470 10.688 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.985 3.903 9.253 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.957 5.973 8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.043 5.911 10.270 1.00 0.00 H new ATOM 1691 N MET A 109 6.091 6.793 6.796 1.00 0.00 N ATOM 1692 CA MET A 109 5.613 7.855 5.911 1.00 0.00 C ATOM 1693 C MET A 109 4.089 7.980 5.915 1.00 0.00 C ATOM 1694 O MET A 109 3.583 9.100 5.828 1.00 0.00 O ATOM 1695 CB MET A 109 6.169 7.686 4.489 1.00 0.00 C ATOM 1696 CG MET A 109 5.758 6.366 3.841 1.00 0.00 C ATOM 1697 SD MET A 109 6.451 6.035 2.204 1.00 0.00 S ATOM 1698 CE MET A 109 8.199 5.794 2.636 1.00 0.00 C ATOM 0 H MET A 109 6.351 5.928 6.323 1.00 0.00 H new ATOM 0 HA MET A 109 5.997 8.795 6.307 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.822 8.512 3.869 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.257 7.746 4.521 1.00 0.00 H new ATOM 0 HG2 MET A 109 6.046 5.552 4.507 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.671 6.345 3.764 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.826 6.353 1.941 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.375 6.150 3.651 1.00 0.00 H new ATOM 0 HE3 MET A 109 8.446 4.734 2.575 1.00 0.00 H new ATOM 1708 N ILE A 110 3.357 6.861 5.971 1.00 0.00 N ATOM 1709 CA ILE A 110 1.906 6.892 5.830 1.00 0.00 C ATOM 1710 C ILE A 110 1.306 7.519 7.099 1.00 0.00 C ATOM 1711 O ILE A 110 0.582 8.503 6.981 1.00 0.00 O ATOM 1712 CB ILE A 110 1.396 5.487 5.406 1.00 0.00 C ATOM 1713 CG1 ILE A 110 0.017 5.450 4.736 1.00 0.00 C ATOM 1714 CG2 ILE A 110 1.433 4.417 6.502 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.072 6.122 5.551 1.00 0.00 C ATOM 0 H ILE A 110 3.748 5.930 6.112 1.00 0.00 H new ATOM 0 HA ILE A 110 1.562 7.537 5.021 1.00 0.00 H new ATOM 0 HB ILE A 110 2.143 5.239 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 110 0.082 5.935 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.263 4.412 4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.057 3.475 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.459 4.282 6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.810 4.732 7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.019 6.057 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.165 5.623 6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.815 7.169 5.708 1.00 0.00 H new ATOM 1727 N GLU A 111 1.678 7.030 8.292 1.00 0.00 N ATOM 1728 CA GLU A 111 1.177 7.544 9.572 1.00 0.00 C ATOM 1729 C GLU A 111 1.455 9.033 9.702 1.00 0.00 C ATOM 1730 O GLU A 111 0.568 9.807 10.068 1.00 0.00 O ATOM 1731 CB GLU A 111 1.816 6.797 10.744 1.00 0.00 C ATOM 1732 CG GLU A 111 1.268 5.376 10.787 1.00 0.00 C ATOM 1733 CD GLU A 111 0.903 4.935 12.201 1.00 0.00 C ATOM 1734 OE1 GLU A 111 -0.271 5.140 12.589 1.00 0.00 O ATOM 1735 OE2 GLU A 111 1.756 4.346 12.911 1.00 0.00 O ATOM 0 H GLU A 111 2.340 6.261 8.394 1.00 0.00 H new ATOM 0 HA GLU A 111 0.099 7.383 9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.900 6.779 10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.601 7.312 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.386 5.310 10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 111 2.010 4.691 10.376 1.00 0.00 H new ATOM 1742 N PHE A 112 2.674 9.439 9.338 1.00 0.00 N ATOM 1743 CA PHE A 112 3.062 10.831 9.382 1.00 0.00 C ATOM 1744 C PHE A 112 2.089 11.686 8.580 1.00 0.00 C ATOM 1745 O PHE A 112 1.582 12.674 9.096 1.00 0.00 O ATOM 1746 CB PHE A 112 4.481 11.011 8.840 1.00 0.00 C ATOM 1747 CG PHE A 112 4.839 12.464 8.587 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.792 13.389 9.647 1.00 0.00 C ATOM 1749 CD2 PHE A 112 5.116 12.915 7.281 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.029 14.750 9.399 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.385 14.273 7.040 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.334 15.193 8.099 1.00 0.00 C ATOM 0 H PHE A 112 3.406 8.810 9.009 1.00 0.00 H new ATOM 0 HA PHE A 112 3.038 11.155 10.422 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.191 10.586 9.549 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.583 10.450 7.911 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.574 13.052 10.650 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.122 12.213 6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.977 15.461 10.210 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.630 14.608 6.043 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.529 16.239 7.916 1.00 0.00 H new ATOM 1762 N ASN A 113 1.807 11.312 7.328 1.00 0.00 N ATOM 1763 CA ASN A 113 1.030 12.161 6.426 1.00 0.00 C ATOM 1764 C ASN A 113 -0.453 12.257 6.823 1.00 0.00 C ATOM 1765 O ASN A 113 -1.222 12.948 6.157 1.00 0.00 O ATOM 1766 CB ASN A 113 1.197 11.674 4.978 1.00 0.00 C ATOM 1767 CG ASN A 113 1.078 12.789 3.940 1.00 0.00 C ATOM 1768 OD1 ASN A 113 1.004 13.972 4.259 1.00 0.00 O ATOM 1769 ND2 ASN A 113 1.124 12.453 2.663 1.00 0.00 N ATOM 0 H ASN A 113 2.106 10.427 6.918 1.00 0.00 H new ATOM 0 HA ASN A 113 1.423 13.174 6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.171 11.195 4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.444 10.914 4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.098 13.176 1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.186 11.470 2.396 1.00 0.00 H new ATOM 1776 N ILE A 114 -0.868 11.569 7.890 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.165 11.714 8.537 1.00 0.00 C ATOM 1778 C ILE A 114 -2.003 12.668 9.718 1.00 0.00 C ATOM 1779 O ILE A 114 -2.773 13.620 9.824 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.676 10.326 8.962 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -2.986 9.483 7.708 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.923 10.383 9.864 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -2.717 8.011 7.982 1.00 0.00 C ATOM 0 H ILE A 114 -0.281 10.868 8.342 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.908 12.135 7.860 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.882 9.867 9.551 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -4.027 9.621 7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.373 9.822 6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.229 9.370 10.126 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.690 10.938 10.773 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.734 10.881 9.333 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.940 7.428 7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.669 7.877 8.251 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.349 7.672 8.803 1.00 0.00 H new ATOM 1795 N GLN A 115 -0.987 12.491 10.577 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.779 13.455 11.662 1.00 0.00 C ATOM 1797 C GLN A 115 -0.310 14.820 11.140 1.00 0.00 C ATOM 1798 O GLN A 115 -0.242 15.774 11.908 1.00 0.00 O ATOM 1799 CB GLN A 115 0.137 12.905 12.767 1.00 0.00 C ATOM 1800 CG GLN A 115 1.557 12.581 12.305 1.00 0.00 C ATOM 1801 CD GLN A 115 2.525 12.479 13.477 1.00 0.00 C ATOM 1802 OE1 GLN A 115 2.876 11.389 13.909 1.00 0.00 O ATOM 1803 NE2 GLN A 115 2.962 13.603 14.019 1.00 0.00 N ATOM 0 H GLN A 115 -0.321 11.719 10.544 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.753 13.616 12.125 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.188 13.634 13.576 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.313 12.002 13.179 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.554 11.641 11.754 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.900 13.353 11.617 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.658 14.502 13.645 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.603 13.571 14.812 1.00 0.00 H new ATOM 1812 N ASP A 116 0.009 14.927 9.852 1.00 0.00 N ATOM 1813 CA ASP A 116 0.367 16.169 9.165 1.00 0.00 C ATOM 1814 C ASP A 116 -0.861 16.850 8.543 1.00 0.00 C ATOM 1815 O ASP A 116 -0.750 17.914 7.935 1.00 0.00 O ATOM 1816 CB ASP A 116 1.418 15.857 8.089 1.00 0.00 C ATOM 1817 CG ASP A 116 2.337 17.039 7.800 1.00 0.00 C ATOM 1818 OD1 ASP A 116 2.685 17.783 8.745 1.00 0.00 O ATOM 1819 OD2 ASP A 116 2.780 17.181 6.635 1.00 0.00 O ATOM 0 H ASP A 116 0.026 14.118 9.231 1.00 0.00 H new ATOM 0 HA ASP A 116 0.780 16.866 9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.018 15.006 8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.913 15.562 7.169 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.046 16.247 8.693 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.366 16.750 8.284 1.00 0.00 C ATOM 1826 C LYS A 117 -4.239 17.066 9.502 1.00 0.00 C ATOM 1827 O LYS A 117 -5.432 17.369 9.370 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.051 15.704 7.383 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.312 15.459 6.056 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.581 16.550 5.007 1.00 0.00 C ATOM 1831 CE LYS A 117 -4.928 16.315 4.304 1.00 0.00 C ATOM 1832 NZ LYS A 117 -5.187 17.348 3.280 1.00 0.00 N ATOM 0 H LYS A 117 -2.114 15.330 9.134 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.233 17.678 7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.127 14.762 7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.068 16.031 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.240 15.404 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.613 14.492 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.582 17.529 5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.778 16.557 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.930 15.330 3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.731 16.321 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.103 17.162 2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -5.208 18.285 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.432 17.325 2.565 1.00 0.00 H new ATOM 1846 N GLU A 118 -3.660 16.953 10.693 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.200 17.533 11.914 1.00 0.00 C ATOM 1848 C GLU A 118 -4.384 19.025 11.694 1.00 0.00 C ATOM 1849 O GLU A 118 -5.435 19.570 12.096 1.00 0.00 O ATOM 1850 CB GLU A 118 -3.220 17.256 13.070 1.00 0.00 C ATOM 1851 CG GLU A 118 -3.790 16.352 14.173 1.00 0.00 C ATOM 1852 CD GLU A 118 -4.459 17.143 15.309 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -3.840 18.096 15.849 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -5.586 16.795 15.728 1.00 0.00 O ATOM 0 H GLU A 118 -2.787 16.446 10.837 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.165 17.093 12.168 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.319 16.794 12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.920 18.206 13.513 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.518 15.668 13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.987 15.741 14.586 1.00 0.00 H new TER 1861 GLU A 118