USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 740 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 46 SER OG : rot 148:sc= 0.00895 USER MOD Set 1.2: A 48 THR OG1 : rot -137:sc= 0.819 USER MOD Set 1.3: A 49 SER OG : rot 180:sc= -0.815 USER MOD Set 1.4: A 105 GLN : amide:sc= 0.896 K(o=0.91,f=-1.9) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 44:sc= 0.554 USER MOD Single : A 35 SER OG : rot 42:sc= 0.0366 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -7.45! K(o=-7.4!,f=-2.8) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.95 K(o=-0.95,f=-4.1!) USER MOD Single : A 69 TYR OH : rot 156:sc= 0.338 USER MOD Single : A 73 SER OG : rot -34:sc= 0.312 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0242) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -119:sc= -0.0975 (180deg=-0.912) USER MOD Single : A 91 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.5) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -6.05! K(o=-6!,f=-2.3) USER MOD Single : A 108 MET CE :methyl -151:sc= -4.09! (180deg=-6.51!) USER MOD Single : A 110 HIS : no HE2:sc= -0.951 K(o=-0.95,f=-0.058) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00409) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot -57:sc= 0.0478 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 -22.596 23.921 3.527 1.00 0.00 N ATOM 2 CA GLY A 30 -21.460 24.804 3.334 1.00 0.00 C ATOM 3 C GLY A 30 -20.221 24.062 2.875 1.00 0.00 C ATOM 4 O GLY A 30 -20.051 22.880 3.172 1.00 0.00 O ATOM 0 HA2 GLY A 30 -21.717 25.566 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -21.244 25.323 4.268 1.00 0.00 H new ATOM 8 N SER A 31 -19.352 24.758 2.148 1.00 0.00 N ATOM 9 CA SER A 31 -18.124 24.156 1.642 1.00 0.00 C ATOM 10 C SER A 31 -17.366 23.447 2.761 1.00 0.00 C ATOM 11 O SER A 31 -17.164 24.004 3.840 1.00 0.00 O ATOM 12 CB SER A 31 -17.233 25.223 1.004 1.00 0.00 C ATOM 13 OG SER A 31 -15.961 24.694 0.672 1.00 0.00 O ATOM 0 H SER A 31 -19.476 25.739 1.896 1.00 0.00 H new ATOM 0 HA SER A 31 -18.394 23.419 0.886 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.713 25.613 0.107 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.114 26.060 1.692 1.00 0.00 H new ATOM 0 HG SER A 31 -15.411 25.395 0.264 1.00 0.00 H new ATOM 19 N SER A 32 -16.948 22.213 2.494 1.00 0.00 N ATOM 20 CA SER A 32 -16.216 21.425 3.478 1.00 0.00 C ATOM 21 C SER A 32 -15.128 22.262 4.144 1.00 0.00 C ATOM 22 O SER A 32 -15.058 22.350 5.369 1.00 0.00 O ATOM 23 CB SER A 32 -15.594 20.194 2.817 1.00 0.00 C ATOM 24 OG SER A 32 -14.827 19.448 3.746 1.00 0.00 O ATOM 0 H SER A 32 -17.104 21.738 1.605 1.00 0.00 H new ATOM 0 HA SER A 32 -16.921 21.101 4.243 1.00 0.00 H new ATOM 0 HB2 SER A 32 -16.381 19.564 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.962 20.505 1.985 1.00 0.00 H new ATOM 0 HG SER A 32 -14.442 18.666 3.299 1.00 0.00 H new ATOM 30 N GLY A 33 -14.278 22.877 3.325 1.00 0.00 N ATOM 31 CA GLY A 33 -13.205 23.699 3.852 1.00 0.00 C ATOM 32 C GLY A 33 -12.045 23.826 2.884 1.00 0.00 C ATOM 33 O GLY A 33 -12.227 23.735 1.670 1.00 0.00 O ATOM 0 H GLY A 33 -14.314 22.820 2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.592 24.691 4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.848 23.269 4.788 1.00 0.00 H new ATOM 37 N SER A 34 -10.848 24.039 3.422 1.00 0.00 N ATOM 38 CA SER A 34 -9.654 24.185 2.598 1.00 0.00 C ATOM 39 C SER A 34 -8.812 22.913 2.632 1.00 0.00 C ATOM 40 O SER A 34 -7.989 22.724 3.527 1.00 0.00 O ATOM 41 CB SER A 34 -8.820 25.375 3.077 1.00 0.00 C ATOM 42 OG SER A 34 -8.513 25.260 4.455 1.00 0.00 O ATOM 0 H SER A 34 -10.680 24.114 4.425 1.00 0.00 H new ATOM 0 HA SER A 34 -9.971 24.363 1.570 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.898 25.433 2.499 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.366 26.301 2.899 1.00 0.00 H new ATOM 0 HG SER A 34 -8.235 24.341 4.653 1.00 0.00 H new ATOM 48 N SER A 35 -9.026 22.043 1.649 1.00 0.00 N ATOM 49 CA SER A 35 -8.290 20.787 1.567 1.00 0.00 C ATOM 50 C SER A 35 -7.441 20.736 0.300 1.00 0.00 C ATOM 51 O SER A 35 -7.931 20.991 -0.799 1.00 0.00 O ATOM 52 CB SER A 35 -9.258 19.602 1.594 1.00 0.00 C ATOM 53 OG SER A 35 -10.292 19.766 0.639 1.00 0.00 O ATOM 0 H SER A 35 -9.703 22.185 0.899 1.00 0.00 H new ATOM 0 HA SER A 35 -7.627 20.726 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.714 18.679 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.691 19.504 2.590 1.00 0.00 H new ATOM 0 HG SER A 35 -9.915 20.121 -0.193 1.00 0.00 H new ATOM 59 N GLY A 36 -6.164 20.403 0.464 1.00 0.00 N ATOM 60 CA GLY A 36 -5.267 20.325 -0.674 1.00 0.00 C ATOM 61 C GLY A 36 -3.948 19.663 -0.327 1.00 0.00 C ATOM 62 O GLY A 36 -2.880 20.227 -0.567 1.00 0.00 O ATOM 0 H GLY A 36 -5.735 20.186 1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.750 19.767 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.078 21.329 -1.053 1.00 0.00 H new ATOM 66 N SER A 37 -4.021 18.463 0.242 1.00 0.00 N ATOM 67 CA SER A 37 -2.823 17.726 0.627 1.00 0.00 C ATOM 68 C SER A 37 -2.664 16.467 -0.219 1.00 0.00 C ATOM 69 O SER A 37 -3.610 15.699 -0.394 1.00 0.00 O ATOM 70 CB SER A 37 -2.884 17.353 2.110 1.00 0.00 C ATOM 71 OG SER A 37 -1.583 17.236 2.660 1.00 0.00 O ATOM 0 H SER A 37 -4.897 17.981 0.446 1.00 0.00 H new ATOM 0 HA SER A 37 -1.960 18.369 0.456 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.446 18.110 2.656 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.419 16.411 2.230 1.00 0.00 H new ATOM 0 HG SER A 37 -1.649 16.999 3.609 1.00 0.00 H new ATOM 77 N GLY A 38 -1.459 16.261 -0.743 1.00 0.00 N ATOM 78 CA GLY A 38 -1.197 15.095 -1.565 1.00 0.00 C ATOM 79 C GLY A 38 -0.756 13.897 -0.748 1.00 0.00 C ATOM 80 O GLY A 38 0.062 13.095 -1.200 1.00 0.00 O ATOM 0 H GLY A 38 -0.660 16.881 -0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.097 14.838 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.426 15.336 -2.297 1.00 0.00 H new ATOM 84 N ARG A 39 -1.297 13.775 0.460 1.00 0.00 N ATOM 85 CA ARG A 39 -0.952 12.668 1.344 1.00 0.00 C ATOM 86 C ARG A 39 -1.974 11.541 1.227 1.00 0.00 C ATOM 87 O ARG A 39 -3.164 11.786 1.022 1.00 0.00 O ATOM 88 CB ARG A 39 -0.871 13.150 2.793 1.00 0.00 C ATOM 89 CG ARG A 39 -0.067 12.230 3.697 1.00 0.00 C ATOM 90 CD ARG A 39 0.580 12.998 4.839 1.00 0.00 C ATOM 91 NE ARG A 39 1.463 12.151 5.637 1.00 0.00 N ATOM 92 CZ ARG A 39 1.975 12.519 6.806 1.00 0.00 C ATOM 93 NH1 ARG A 39 1.694 13.713 7.310 1.00 0.00 N ATOM 94 NH2 ARG A 39 2.771 11.693 7.473 1.00 0.00 N ATOM 0 H ARG A 39 -1.976 14.429 0.849 1.00 0.00 H new ATOM 0 HA ARG A 39 0.023 12.285 1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.425 14.144 2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.881 13.246 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.718 11.455 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.703 11.726 3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.148 13.836 4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.196 13.418 5.479 1.00 0.00 H new ATOM 0 HE ARG A 39 1.699 11.226 5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.083 14.351 6.800 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.088 13.993 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.990 10.774 7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.164 11.977 8.371 1.00 0.00 H new ATOM 108 N LEU A 40 -1.503 10.306 1.359 1.00 0.00 N ATOM 109 CA LEU A 40 -2.375 9.140 1.268 1.00 0.00 C ATOM 110 C LEU A 40 -1.926 8.048 2.233 1.00 0.00 C ATOM 111 O LEU A 40 -0.766 7.636 2.225 1.00 0.00 O ATOM 112 CB LEU A 40 -2.388 8.599 -0.163 1.00 0.00 C ATOM 113 CG LEU A 40 -3.002 9.515 -1.222 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.739 8.970 -2.617 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.496 9.679 -0.984 1.00 0.00 C ATOM 0 H LEU A 40 -0.522 10.086 1.529 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.384 9.449 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.362 8.376 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.933 7.655 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.532 10.495 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.183 9.635 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.664 8.906 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.181 7.978 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.916 10.334 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.982 8.704 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.662 10.116 0.001 1.00 0.00 H new ATOM 127 N PHE A 41 -2.854 7.581 3.063 1.00 0.00 N ATOM 128 CA PHE A 41 -2.554 6.534 4.033 1.00 0.00 C ATOM 129 C PHE A 41 -2.757 5.151 3.422 1.00 0.00 C ATOM 130 O PHE A 41 -3.793 4.873 2.818 1.00 0.00 O ATOM 131 CB PHE A 41 -3.437 6.692 5.273 1.00 0.00 C ATOM 132 CG PHE A 41 -3.276 5.579 6.269 1.00 0.00 C ATOM 133 CD1 PHE A 41 -2.023 5.063 6.554 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.379 5.048 6.918 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.871 4.039 7.470 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.234 4.024 7.836 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.978 3.518 8.111 1.00 0.00 C ATOM 0 H PHE A 41 -3.819 7.911 3.083 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.508 6.632 4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.202 7.640 5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.481 6.743 4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.154 5.465 6.055 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.363 5.438 6.705 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.888 3.647 7.684 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.101 3.620 8.337 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.862 2.717 8.826 1.00 0.00 H new ATOM 147 N VAL A 42 -1.760 4.287 3.584 1.00 0.00 N ATOM 148 CA VAL A 42 -1.828 2.932 3.050 1.00 0.00 C ATOM 149 C VAL A 42 -1.484 1.902 4.119 1.00 0.00 C ATOM 150 O VAL A 42 -0.592 2.117 4.940 1.00 0.00 O ATOM 151 CB VAL A 42 -0.875 2.752 1.854 1.00 0.00 C ATOM 152 CG1 VAL A 42 -1.099 1.402 1.190 1.00 0.00 C ATOM 153 CG2 VAL A 42 -1.056 3.884 0.854 1.00 0.00 C ATOM 0 H VAL A 42 -0.895 4.501 4.081 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.853 2.775 2.715 1.00 0.00 H new ATOM 0 HB VAL A 42 0.151 2.783 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.416 1.293 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.914 0.606 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.127 1.337 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.375 3.741 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.084 3.887 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.840 4.836 1.339 1.00 0.00 H new ATOM 163 N ARG A 43 -2.198 0.781 4.104 1.00 0.00 N ATOM 164 CA ARG A 43 -1.969 -0.284 5.074 1.00 0.00 C ATOM 165 C ARG A 43 -2.086 -1.655 4.413 1.00 0.00 C ATOM 166 O ARG A 43 -2.520 -1.768 3.268 1.00 0.00 O ATOM 167 CB ARG A 43 -2.967 -0.175 6.228 1.00 0.00 C ATOM 168 CG ARG A 43 -4.390 -0.544 5.839 1.00 0.00 C ATOM 169 CD ARG A 43 -5.263 -0.764 7.065 1.00 0.00 C ATOM 170 NE ARG A 43 -5.168 0.345 8.010 1.00 0.00 N ATOM 171 CZ ARG A 43 -5.667 0.307 9.241 1.00 0.00 C ATOM 172 NH1 ARG A 43 -6.292 -0.780 9.673 1.00 0.00 N ATOM 173 NH2 ARG A 43 -5.541 1.356 10.043 1.00 0.00 N ATOM 0 H ARG A 43 -2.940 0.587 3.431 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.958 -0.174 5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.642 -0.824 7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.957 0.845 6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.817 0.248 5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.379 -1.449 5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.300 -0.887 6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.966 -1.689 7.560 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.692 1.196 7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.390 -1.589 9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.674 -0.807 10.618 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.060 2.194 9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.925 1.325 10.988 1.00 0.00 H new ATOM 187 N ASN A 44 -1.694 -2.693 5.145 1.00 0.00 N ATOM 188 CA ASN A 44 -1.754 -4.056 4.630 1.00 0.00 C ATOM 189 C ASN A 44 -0.648 -4.301 3.608 1.00 0.00 C ATOM 190 O ASN A 44 -0.889 -4.859 2.537 1.00 0.00 O ATOM 191 CB ASN A 44 -3.119 -4.324 3.993 1.00 0.00 C ATOM 192 CG ASN A 44 -3.532 -5.779 4.100 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.746 -6.296 5.197 1.00 0.00 O ATOM 194 ND2 ASN A 44 -3.646 -6.448 2.959 1.00 0.00 N ATOM 0 H ASN A 44 -1.332 -2.616 6.095 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.610 -4.740 5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.871 -3.699 4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.090 -4.034 2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.921 -7.430 2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.459 -5.980 2.072 1.00 0.00 H new ATOM 201 N LEU A 45 0.566 -3.880 3.947 1.00 0.00 N ATOM 202 CA LEU A 45 1.711 -4.054 3.060 1.00 0.00 C ATOM 203 C LEU A 45 2.352 -5.424 3.260 1.00 0.00 C ATOM 204 O LEU A 45 2.366 -5.958 4.369 1.00 0.00 O ATOM 205 CB LEU A 45 2.745 -2.954 3.309 1.00 0.00 C ATOM 206 CG LEU A 45 2.588 -1.684 2.472 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.798 -1.987 0.997 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.218 -1.061 2.701 1.00 0.00 C ATOM 0 H LEU A 45 0.783 -3.416 4.829 1.00 0.00 H new ATOM 0 HA LEU A 45 1.356 -3.986 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.706 -2.678 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.737 -3.367 3.124 1.00 0.00 H new ATOM 0 HG LEU A 45 3.348 -0.968 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.682 -1.071 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.801 -2.387 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.062 -2.720 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.123 -0.158 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.443 -1.772 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.106 -0.806 3.755 1.00 0.00 H new ATOM 220 N SER A 46 2.882 -5.986 2.178 1.00 0.00 N ATOM 221 CA SER A 46 3.523 -7.295 2.234 1.00 0.00 C ATOM 222 C SER A 46 4.979 -7.168 2.673 1.00 0.00 C ATOM 223 O SER A 46 5.747 -6.396 2.099 1.00 0.00 O ATOM 224 CB SER A 46 3.448 -7.982 0.869 1.00 0.00 C ATOM 225 OG SER A 46 3.428 -9.392 1.008 1.00 0.00 O ATOM 0 H SER A 46 2.880 -5.556 1.253 1.00 0.00 H new ATOM 0 HA SER A 46 2.992 -7.902 2.967 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.553 -7.653 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.303 -7.685 0.262 1.00 0.00 H new ATOM 0 HG SER A 46 2.896 -9.785 0.284 1.00 0.00 H new ATOM 231 N TYR A 47 5.351 -7.933 3.693 1.00 0.00 N ATOM 232 CA TYR A 47 6.714 -7.906 4.211 1.00 0.00 C ATOM 233 C TYR A 47 7.725 -8.157 3.098 1.00 0.00 C ATOM 234 O TYR A 47 8.784 -7.530 3.050 1.00 0.00 O ATOM 235 CB TYR A 47 6.883 -8.951 5.315 1.00 0.00 C ATOM 236 CG TYR A 47 5.625 -9.192 6.119 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.863 -8.129 6.588 1.00 0.00 C ATOM 238 CD2 TYR A 47 5.199 -10.482 6.410 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.714 -8.344 7.324 1.00 0.00 C ATOM 240 CE2 TYR A 47 4.050 -10.706 7.144 1.00 0.00 C ATOM 241 CZ TYR A 47 3.311 -9.634 7.599 1.00 0.00 C ATOM 242 OH TYR A 47 2.167 -9.852 8.331 1.00 0.00 O ATOM 0 H TYR A 47 4.728 -8.579 4.178 1.00 0.00 H new ATOM 0 HA TYR A 47 6.898 -6.915 4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.204 -9.892 4.867 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.678 -8.631 5.988 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.174 -7.117 6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.776 -11.324 6.057 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.134 -7.506 7.682 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.732 -11.715 7.360 1.00 0.00 H new ATOM 0 HH TYR A 47 2.024 -10.816 8.435 1.00 0.00 H new ATOM 252 N THR A 48 7.392 -9.081 2.201 1.00 0.00 N ATOM 253 CA THR A 48 8.269 -9.417 1.088 1.00 0.00 C ATOM 254 C THR A 48 8.531 -8.201 0.207 1.00 0.00 C ATOM 255 O THR A 48 9.438 -8.209 -0.626 1.00 0.00 O ATOM 256 CB THR A 48 7.673 -10.544 0.223 1.00 0.00 C ATOM 257 OG1 THR A 48 6.565 -10.047 -0.534 1.00 0.00 O ATOM 258 CG2 THR A 48 7.219 -11.709 1.090 1.00 0.00 C ATOM 0 H THR A 48 6.520 -9.610 2.225 1.00 0.00 H new ATOM 0 HA THR A 48 9.210 -9.759 1.520 1.00 0.00 H new ATOM 0 HB THR A 48 8.448 -10.898 -0.457 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.835 -10.700 -0.512 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.802 -12.492 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.071 -12.104 1.643 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.459 -11.366 1.792 1.00 0.00 H new ATOM 266 N SER A 49 7.731 -7.156 0.396 1.00 0.00 N ATOM 267 CA SER A 49 7.875 -5.933 -0.384 1.00 0.00 C ATOM 268 C SER A 49 8.955 -5.034 0.209 1.00 0.00 C ATOM 269 O SER A 49 9.142 -4.988 1.425 1.00 0.00 O ATOM 270 CB SER A 49 6.544 -5.180 -0.442 1.00 0.00 C ATOM 271 OG SER A 49 5.480 -6.052 -0.782 1.00 0.00 O ATOM 0 H SER A 49 6.977 -7.132 1.082 1.00 0.00 H new ATOM 0 HA SER A 49 8.172 -6.210 -1.395 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.343 -4.715 0.523 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.609 -4.376 -1.176 1.00 0.00 H new ATOM 0 HG SER A 49 4.640 -5.548 -0.812 1.00 0.00 H new ATOM 277 N SER A 50 9.665 -4.320 -0.660 1.00 0.00 N ATOM 278 CA SER A 50 10.730 -3.424 -0.223 1.00 0.00 C ATOM 279 C SER A 50 10.381 -1.972 -0.536 1.00 0.00 C ATOM 280 O SER A 50 9.697 -1.685 -1.518 1.00 0.00 O ATOM 281 CB SER A 50 12.050 -3.800 -0.899 1.00 0.00 C ATOM 282 OG SER A 50 12.392 -5.150 -0.635 1.00 0.00 O ATOM 0 H SER A 50 9.522 -4.345 -1.670 1.00 0.00 H new ATOM 0 HA SER A 50 10.840 -3.529 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.968 -3.646 -1.975 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.844 -3.144 -0.543 1.00 0.00 H new ATOM 0 HG SER A 50 13.238 -5.366 -1.079 1.00 0.00 H new ATOM 288 N GLU A 51 10.856 -1.061 0.308 1.00 0.00 N ATOM 289 CA GLU A 51 10.593 0.361 0.122 1.00 0.00 C ATOM 290 C GLU A 51 10.619 0.730 -1.358 1.00 0.00 C ATOM 291 O GLU A 51 9.958 1.677 -1.783 1.00 0.00 O ATOM 292 CB GLU A 51 11.623 1.196 0.886 1.00 0.00 C ATOM 293 CG GLU A 51 11.197 2.638 1.103 1.00 0.00 C ATOM 294 CD GLU A 51 12.194 3.422 1.934 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.394 3.076 1.903 1.00 0.00 O ATOM 296 OE2 GLU A 51 11.775 4.381 2.615 1.00 0.00 O ATOM 0 H GLU A 51 11.424 -1.282 1.126 1.00 0.00 H new ATOM 0 HA GLU A 51 9.599 0.575 0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.809 0.731 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.566 1.183 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.073 3.126 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.225 2.656 1.596 1.00 0.00 H new ATOM 303 N GLU A 52 11.388 -0.024 -2.137 1.00 0.00 N ATOM 304 CA GLU A 52 11.502 0.225 -3.569 1.00 0.00 C ATOM 305 C GLU A 52 10.265 -0.278 -4.308 1.00 0.00 C ATOM 306 O GLU A 52 9.699 0.427 -5.144 1.00 0.00 O ATOM 307 CB GLU A 52 12.755 -0.451 -4.130 1.00 0.00 C ATOM 308 CG GLU A 52 12.778 -0.527 -5.647 1.00 0.00 C ATOM 309 CD GLU A 52 12.141 -1.797 -6.177 1.00 0.00 C ATOM 310 OE1 GLU A 52 12.863 -2.806 -6.322 1.00 0.00 O ATOM 311 OE2 GLU A 52 10.923 -1.781 -6.448 1.00 0.00 O ATOM 0 H GLU A 52 11.941 -0.812 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 52 11.582 1.302 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.635 0.094 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.827 -1.460 -3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.255 0.336 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.810 -0.470 -5.994 1.00 0.00 H new ATOM 318 N ASP A 53 9.853 -1.501 -3.995 1.00 0.00 N ATOM 319 CA ASP A 53 8.683 -2.100 -4.628 1.00 0.00 C ATOM 320 C ASP A 53 7.495 -1.144 -4.587 1.00 0.00 C ATOM 321 O ASP A 53 6.782 -0.981 -5.579 1.00 0.00 O ATOM 322 CB ASP A 53 8.320 -3.415 -3.937 1.00 0.00 C ATOM 323 CG ASP A 53 9.323 -4.515 -4.223 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.335 -4.600 -3.496 1.00 0.00 O ATOM 325 OD2 ASP A 53 9.095 -5.292 -5.174 1.00 0.00 O ATOM 0 H ASP A 53 10.312 -2.098 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 53 8.928 -2.303 -5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.261 -3.252 -2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.331 -3.734 -4.266 1.00 0.00 H new ATOM 330 N LEU A 54 7.286 -0.516 -3.436 1.00 0.00 N ATOM 331 CA LEU A 54 6.183 0.423 -3.265 1.00 0.00 C ATOM 332 C LEU A 54 6.318 1.602 -4.223 1.00 0.00 C ATOM 333 O LEU A 54 5.415 1.879 -5.011 1.00 0.00 O ATOM 334 CB LEU A 54 6.135 0.927 -1.821 1.00 0.00 C ATOM 335 CG LEU A 54 5.483 -0.011 -0.804 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.592 0.565 0.599 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.026 -0.262 -1.168 1.00 0.00 C ATOM 0 H LEU A 54 7.866 -0.640 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 54 5.254 -0.101 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.155 1.132 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.599 1.876 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 54 6.012 -0.964 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.123 -0.116 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.643 0.693 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.089 1.531 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.578 -0.931 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.485 0.684 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.971 -0.719 -2.156 1.00 0.00 H new ATOM 349 N GLU A 55 7.453 2.290 -4.150 1.00 0.00 N ATOM 350 CA GLU A 55 7.706 3.438 -5.012 1.00 0.00 C ATOM 351 C GLU A 55 7.283 3.144 -6.449 1.00 0.00 C ATOM 352 O GLU A 55 6.533 3.908 -7.057 1.00 0.00 O ATOM 353 CB GLU A 55 9.188 3.817 -4.973 1.00 0.00 C ATOM 354 CG GLU A 55 9.537 4.795 -3.864 1.00 0.00 C ATOM 355 CD GLU A 55 10.944 5.347 -3.995 1.00 0.00 C ATOM 356 OE1 GLU A 55 11.812 4.636 -4.542 1.00 0.00 O ATOM 357 OE2 GLU A 55 11.175 6.491 -3.549 1.00 0.00 O ATOM 0 H GLU A 55 8.211 2.072 -3.503 1.00 0.00 H new ATOM 0 HA GLU A 55 7.114 4.275 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.783 2.912 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.468 4.253 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.825 5.620 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.434 4.297 -2.900 1.00 0.00 H new ATOM 364 N LYS A 56 7.769 2.030 -6.986 1.00 0.00 N ATOM 365 CA LYS A 56 7.443 1.632 -8.350 1.00 0.00 C ATOM 366 C LYS A 56 5.933 1.515 -8.536 1.00 0.00 C ATOM 367 O LYS A 56 5.409 1.779 -9.619 1.00 0.00 O ATOM 368 CB LYS A 56 8.113 0.299 -8.689 1.00 0.00 C ATOM 369 CG LYS A 56 9.575 0.232 -8.281 1.00 0.00 C ATOM 370 CD LYS A 56 10.370 -0.677 -9.202 1.00 0.00 C ATOM 371 CE LYS A 56 10.892 0.077 -10.416 1.00 0.00 C ATOM 372 NZ LYS A 56 11.492 -0.841 -11.423 1.00 0.00 N ATOM 0 H LYS A 56 8.391 1.386 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 56 7.817 2.402 -9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.570 -0.507 -8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.036 0.126 -9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.004 1.234 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.651 -0.131 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.207 -1.110 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.741 -1.505 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.076 0.636 -10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.638 0.805 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.836 -0.289 -12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.287 -1.356 -10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.773 -1.520 -11.746 1.00 0.00 H new ATOM 386 N LEU A 57 5.240 1.120 -7.474 1.00 0.00 N ATOM 387 CA LEU A 57 3.789 0.970 -7.520 1.00 0.00 C ATOM 388 C LEU A 57 3.100 2.329 -7.467 1.00 0.00 C ATOM 389 O LEU A 57 2.309 2.671 -8.347 1.00 0.00 O ATOM 390 CB LEU A 57 3.310 0.097 -6.359 1.00 0.00 C ATOM 391 CG LEU A 57 1.833 0.225 -5.988 1.00 0.00 C ATOM 392 CD1 LEU A 57 0.961 -0.491 -7.008 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.584 -0.325 -4.591 1.00 0.00 C ATOM 0 H LEU A 57 5.659 0.898 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 57 3.528 0.487 -8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.513 -0.945 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.907 0.338 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 57 1.568 1.282 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.087 -0.389 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.117 -0.051 -7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.227 -1.548 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.527 -0.226 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.867 -1.377 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.180 0.233 -3.869 1.00 0.00 H new ATOM 405 N PHE A 58 3.406 3.103 -6.431 1.00 0.00 N ATOM 406 CA PHE A 58 2.817 4.426 -6.263 1.00 0.00 C ATOM 407 C PHE A 58 3.387 5.408 -7.283 1.00 0.00 C ATOM 408 O PHE A 58 2.652 5.978 -8.089 1.00 0.00 O ATOM 409 CB PHE A 58 3.066 4.943 -4.845 1.00 0.00 C ATOM 410 CG PHE A 58 2.203 4.285 -3.807 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.823 4.397 -3.861 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.772 3.554 -2.776 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.027 3.793 -2.906 1.00 0.00 C ATOM 414 CE2 PHE A 58 1.981 2.947 -1.819 1.00 0.00 C ATOM 415 CZ PHE A 58 0.607 3.066 -1.885 1.00 0.00 C ATOM 0 H PHE A 58 4.059 2.836 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 58 1.743 4.342 -6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.114 4.785 -4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.891 6.019 -4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.364 4.963 -4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.846 3.458 -2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.047 3.889 -2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.437 2.380 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.013 2.591 -1.139 1.00 0.00 H new ATOM 425 N SER A 59 4.701 5.601 -7.239 1.00 0.00 N ATOM 426 CA SER A 59 5.370 6.517 -8.154 1.00 0.00 C ATOM 427 C SER A 59 4.790 6.400 -9.560 1.00 0.00 C ATOM 428 O SER A 59 4.578 7.403 -10.242 1.00 0.00 O ATOM 429 CB SER A 59 6.873 6.233 -8.186 1.00 0.00 C ATOM 430 OG SER A 59 7.593 7.350 -8.678 1.00 0.00 O ATOM 0 H SER A 59 5.323 5.135 -6.579 1.00 0.00 H new ATOM 0 HA SER A 59 5.207 7.533 -7.795 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.221 5.985 -7.183 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.069 5.365 -8.815 1.00 0.00 H new ATOM 0 HG SER A 59 8.551 7.144 -8.687 1.00 0.00 H new ATOM 436 N ALA A 60 4.535 5.168 -9.988 1.00 0.00 N ATOM 437 CA ALA A 60 3.977 4.919 -11.312 1.00 0.00 C ATOM 438 C ALA A 60 2.853 5.899 -11.627 1.00 0.00 C ATOM 439 O ALA A 60 2.769 6.427 -12.737 1.00 0.00 O ATOM 440 CB ALA A 60 3.474 3.486 -11.411 1.00 0.00 C ATOM 0 H ALA A 60 4.706 4.327 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 60 4.768 5.067 -12.047 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.060 3.314 -12.404 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.301 2.797 -11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.700 3.319 -10.662 1.00 0.00 H new ATOM 446 N TYR A 61 1.991 6.139 -10.646 1.00 0.00 N ATOM 447 CA TYR A 61 0.869 7.054 -10.820 1.00 0.00 C ATOM 448 C TYR A 61 1.358 8.492 -10.972 1.00 0.00 C ATOM 449 O TYR A 61 0.861 9.243 -11.810 1.00 0.00 O ATOM 450 CB TYR A 61 -0.089 6.953 -9.632 1.00 0.00 C ATOM 451 CG TYR A 61 -0.815 5.629 -9.552 1.00 0.00 C ATOM 452 CD1 TYR A 61 -0.206 4.513 -8.991 1.00 0.00 C ATOM 453 CD2 TYR A 61 -2.111 5.494 -10.036 1.00 0.00 C ATOM 454 CE1 TYR A 61 -0.865 3.302 -8.916 1.00 0.00 C ATOM 455 CE2 TYR A 61 -2.778 4.287 -9.964 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.151 3.193 -9.403 1.00 0.00 C ATOM 457 OH TYR A 61 -2.812 1.989 -9.329 1.00 0.00 O ATOM 0 H TYR A 61 2.047 5.712 -9.721 1.00 0.00 H new ATOM 0 HA TYR A 61 0.340 6.770 -11.730 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.471 7.107 -8.710 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.822 7.757 -9.698 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.800 4.594 -8.607 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.605 6.348 -10.476 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.376 2.444 -8.478 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.785 4.200 -10.345 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.496 1.490 -8.547 1.00 0.00 H new ATOM 467 N GLY A 62 2.337 8.867 -10.155 1.00 0.00 N ATOM 468 CA GLY A 62 2.878 10.212 -10.213 1.00 0.00 C ATOM 469 C GLY A 62 4.161 10.356 -9.419 1.00 0.00 C ATOM 470 O GLY A 62 4.629 9.414 -8.779 1.00 0.00 O ATOM 0 H GLY A 62 2.765 8.263 -9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.066 10.480 -11.253 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.137 10.915 -9.831 1.00 0.00 H new ATOM 474 N PRO A 63 4.752 11.560 -9.455 1.00 0.00 N ATOM 475 CA PRO A 63 5.997 11.852 -8.740 1.00 0.00 C ATOM 476 C PRO A 63 5.803 11.884 -7.228 1.00 0.00 C ATOM 477 O PRO A 63 5.044 12.702 -6.706 1.00 0.00 O ATOM 478 CB PRO A 63 6.388 13.238 -9.258 1.00 0.00 C ATOM 479 CG PRO A 63 5.103 13.857 -9.689 1.00 0.00 C ATOM 480 CD PRO A 63 4.249 12.728 -10.197 1.00 0.00 C ATOM 0 HA PRO A 63 6.755 11.088 -8.913 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.871 13.830 -8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.091 13.167 -10.088 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.619 14.369 -8.858 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.270 14.601 -10.468 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.191 12.904 -10.000 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.355 12.596 -11.274 1.00 0.00 H new ATOM 488 N LEU A 64 6.494 10.991 -6.528 1.00 0.00 N ATOM 489 CA LEU A 64 6.398 10.917 -5.074 1.00 0.00 C ATOM 490 C LEU A 64 7.265 11.986 -4.417 1.00 0.00 C ATOM 491 O LEU A 64 8.447 12.121 -4.732 1.00 0.00 O ATOM 492 CB LEU A 64 6.819 9.530 -4.585 1.00 0.00 C ATOM 493 CG LEU A 64 6.080 8.346 -5.208 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.644 7.032 -4.690 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.589 8.438 -4.922 1.00 0.00 C ATOM 0 H LEU A 64 7.127 10.308 -6.944 1.00 0.00 H new ATOM 0 HA LEU A 64 5.360 11.094 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.885 9.408 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.682 9.491 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 64 6.225 8.379 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.105 6.201 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.701 6.963 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.530 6.989 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.079 7.587 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.424 8.431 -3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.194 9.363 -5.343 1.00 0.00 H new ATOM 507 N SER A 65 6.670 12.742 -3.500 1.00 0.00 N ATOM 508 CA SER A 65 7.387 13.800 -2.798 1.00 0.00 C ATOM 509 C SER A 65 8.080 13.254 -1.554 1.00 0.00 C ATOM 510 O SER A 65 9.102 13.782 -1.117 1.00 0.00 O ATOM 511 CB SER A 65 6.426 14.925 -2.408 1.00 0.00 C ATOM 512 OG SER A 65 7.087 15.917 -1.642 1.00 0.00 O ATOM 0 H SER A 65 5.693 12.641 -3.226 1.00 0.00 H new ATOM 0 HA SER A 65 8.147 14.198 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.005 15.376 -3.307 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.593 14.515 -1.837 1.00 0.00 H new ATOM 0 HG SER A 65 6.452 16.625 -1.407 1.00 0.00 H new ATOM 518 N GLU A 66 7.515 12.192 -0.988 1.00 0.00 N ATOM 519 CA GLU A 66 8.078 11.574 0.207 1.00 0.00 C ATOM 520 C GLU A 66 7.412 10.230 0.491 1.00 0.00 C ATOM 521 O GLU A 66 6.192 10.095 0.385 1.00 0.00 O ATOM 522 CB GLU A 66 7.915 12.501 1.413 1.00 0.00 C ATOM 523 CG GLU A 66 8.070 11.795 2.750 1.00 0.00 C ATOM 524 CD GLU A 66 8.593 12.713 3.837 1.00 0.00 C ATOM 525 OE1 GLU A 66 7.961 13.761 4.083 1.00 0.00 O ATOM 526 OE2 GLU A 66 9.635 12.383 4.442 1.00 0.00 O ATOM 0 H GLU A 66 6.669 11.742 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 66 9.140 11.403 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.652 13.302 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.931 12.969 1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.106 11.388 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.750 10.951 2.634 1.00 0.00 H new ATOM 533 N LEU A 67 8.221 9.240 0.851 1.00 0.00 N ATOM 534 CA LEU A 67 7.711 7.906 1.149 1.00 0.00 C ATOM 535 C LEU A 67 8.079 7.488 2.569 1.00 0.00 C ATOM 536 O LEU A 67 9.157 7.816 3.065 1.00 0.00 O ATOM 537 CB LEU A 67 8.264 6.891 0.147 1.00 0.00 C ATOM 538 CG LEU A 67 7.698 5.474 0.245 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.322 5.404 -0.398 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.644 4.476 -0.405 1.00 0.00 C ATOM 0 H LEU A 67 9.232 9.335 0.944 1.00 0.00 H new ATOM 0 HA LEU A 67 6.624 7.932 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.078 7.266 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.345 6.838 0.273 1.00 0.00 H new ATOM 0 HG LEU A 67 7.598 5.215 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.935 4.388 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.647 6.091 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.397 5.683 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.225 3.473 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.777 4.732 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.609 4.507 0.101 1.00 0.00 H new ATOM 552 N HIS A 68 7.176 6.760 3.219 1.00 0.00 N ATOM 553 CA HIS A 68 7.406 6.294 4.582 1.00 0.00 C ATOM 554 C HIS A 68 7.246 4.779 4.672 1.00 0.00 C ATOM 555 O HIS A 68 6.173 4.242 4.397 1.00 0.00 O ATOM 556 CB HIS A 68 6.440 6.980 5.548 1.00 0.00 C ATOM 557 CG HIS A 68 6.792 6.779 6.990 1.00 0.00 C ATOM 558 ND1 HIS A 68 7.495 5.685 7.448 1.00 0.00 N ATOM 559 CD2 HIS A 68 6.535 7.542 8.078 1.00 0.00 C ATOM 560 CE1 HIS A 68 7.654 5.783 8.755 1.00 0.00 C ATOM 561 NE2 HIS A 68 7.081 6.901 9.163 1.00 0.00 N ATOM 0 H HIS A 68 6.278 6.480 2.824 1.00 0.00 H new ATOM 0 HA HIS A 68 8.428 6.551 4.860 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.421 8.048 5.333 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.433 6.601 5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.000 8.480 8.091 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.166 5.070 9.384 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.049 7.234 10.127 1.00 0.00 H new ATOM 570 N TYR A 69 8.318 4.098 5.059 1.00 0.00 N ATOM 571 CA TYR A 69 8.297 2.645 5.183 1.00 0.00 C ATOM 572 C TYR A 69 8.900 2.203 6.513 1.00 0.00 C ATOM 573 O TYR A 69 10.111 2.026 6.646 1.00 0.00 O ATOM 574 CB TYR A 69 9.061 2.002 4.024 1.00 0.00 C ATOM 575 CG TYR A 69 8.587 0.607 3.687 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.233 0.325 3.553 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.493 -0.430 3.502 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.795 -0.949 3.246 1.00 0.00 C ATOM 579 CE2 TYR A 69 9.064 -1.707 3.193 1.00 0.00 C ATOM 580 CZ TYR A 69 7.715 -1.961 3.066 1.00 0.00 C ATOM 581 OH TYR A 69 7.284 -3.231 2.759 1.00 0.00 O ATOM 0 H TYR A 69 9.213 4.528 5.292 1.00 0.00 H new ATOM 0 HA TYR A 69 7.258 2.318 5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.963 2.633 3.141 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.121 1.966 4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.510 1.116 3.691 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.551 -0.235 3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.739 -1.151 3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.782 -2.502 3.052 1.00 0.00 H new ATOM 0 HH TYR A 69 7.999 -3.716 2.296 1.00 0.00 H new ATOM 591 N PRO A 70 8.035 2.019 7.521 1.00 0.00 N ATOM 592 CA PRO A 70 8.458 1.594 8.859 1.00 0.00 C ATOM 593 C PRO A 70 8.943 0.148 8.882 1.00 0.00 C ATOM 594 O PRO A 70 8.363 -0.721 8.230 1.00 0.00 O ATOM 595 CB PRO A 70 7.187 1.745 9.698 1.00 0.00 C ATOM 596 CG PRO A 70 6.071 1.619 8.719 1.00 0.00 C ATOM 597 CD PRO A 70 6.578 2.212 7.434 1.00 0.00 C ATOM 0 HA PRO A 70 9.299 2.182 9.226 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.127 0.976 10.468 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.161 2.708 10.207 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.788 0.575 8.582 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.184 2.147 9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.157 1.707 6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.317 3.267 7.347 1.00 0.00 H new ATOM 605 N ILE A 71 10.008 -0.102 9.635 1.00 0.00 N ATOM 606 CA ILE A 71 10.569 -1.443 9.743 1.00 0.00 C ATOM 607 C ILE A 71 11.062 -1.721 11.160 1.00 0.00 C ATOM 608 O ILE A 71 11.831 -0.943 11.724 1.00 0.00 O ATOM 609 CB ILE A 71 11.735 -1.647 8.758 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.318 -1.227 7.347 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.192 -3.098 8.771 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.512 -2.278 6.617 1.00 0.00 C ATOM 0 H ILE A 71 10.500 0.606 10.180 1.00 0.00 H new ATOM 0 HA ILE A 71 9.768 -2.140 9.496 1.00 0.00 H new ATOM 0 HB ILE A 71 12.570 -1.021 9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.733 -0.309 7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.211 -0.997 6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.017 -3.226 8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.524 -3.366 9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.363 -3.743 8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.251 -1.912 5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.102 -3.190 6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.601 -2.491 7.176 1.00 0.00 H new ATOM 624 N ASP A 72 10.614 -2.835 11.727 1.00 0.00 N ATOM 625 CA ASP A 72 11.011 -3.218 13.077 1.00 0.00 C ATOM 626 C ASP A 72 12.526 -3.366 13.177 1.00 0.00 C ATOM 627 O ASP A 72 13.151 -4.026 12.346 1.00 0.00 O ATOM 628 CB ASP A 72 10.331 -4.527 13.480 1.00 0.00 C ATOM 629 CG ASP A 72 10.084 -4.616 14.973 1.00 0.00 C ATOM 630 OD1 ASP A 72 9.748 -3.578 15.582 1.00 0.00 O ATOM 631 OD2 ASP A 72 10.225 -5.723 15.533 1.00 0.00 O ATOM 0 H ASP A 72 9.976 -3.489 11.273 1.00 0.00 H new ATOM 0 HA ASP A 72 10.695 -2.429 13.759 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.382 -4.617 12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.951 -5.367 13.167 1.00 0.00 H new ATOM 636 N SER A 73 13.110 -2.748 14.198 1.00 0.00 N ATOM 637 CA SER A 73 14.553 -2.806 14.403 1.00 0.00 C ATOM 638 C SER A 73 14.965 -4.158 14.978 1.00 0.00 C ATOM 639 O SER A 73 16.141 -4.393 15.261 1.00 0.00 O ATOM 640 CB SER A 73 15.003 -1.683 15.339 1.00 0.00 C ATOM 641 OG SER A 73 16.413 -1.541 15.325 1.00 0.00 O ATOM 0 H SER A 73 12.606 -2.201 14.896 1.00 0.00 H new ATOM 0 HA SER A 73 15.038 -2.678 13.435 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.537 -0.745 15.037 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.666 -1.894 16.354 1.00 0.00 H new ATOM 0 HG SER A 73 16.829 -2.420 15.204 1.00 0.00 H new ATOM 647 N LEU A 74 13.990 -5.044 15.148 1.00 0.00 N ATOM 648 CA LEU A 74 14.249 -6.373 15.690 1.00 0.00 C ATOM 649 C LEU A 74 14.247 -7.422 14.582 1.00 0.00 C ATOM 650 O LEU A 74 15.214 -8.165 14.414 1.00 0.00 O ATOM 651 CB LEU A 74 13.201 -6.728 16.746 1.00 0.00 C ATOM 652 CG LEU A 74 13.012 -5.711 17.873 1.00 0.00 C ATOM 653 CD1 LEU A 74 11.844 -6.109 18.761 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.288 -5.581 18.693 1.00 0.00 C ATOM 0 H LEU A 74 13.012 -4.866 14.918 1.00 0.00 H new ATOM 0 HA LEU A 74 15.235 -6.363 16.155 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.243 -6.868 16.245 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.472 -7.686 17.190 1.00 0.00 H new ATOM 0 HG LEU A 74 12.789 -4.741 17.428 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.725 -5.374 19.557 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.932 -6.150 18.166 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.037 -7.089 19.198 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.136 -4.853 19.490 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.541 -6.548 19.128 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.102 -5.248 18.049 1.00 0.00 H new ATOM 666 N THR A 75 13.154 -7.476 13.827 1.00 0.00 N ATOM 667 CA THR A 75 13.025 -8.432 12.735 1.00 0.00 C ATOM 668 C THR A 75 13.431 -7.806 11.406 1.00 0.00 C ATOM 669 O THR A 75 13.663 -8.509 10.422 1.00 0.00 O ATOM 670 CB THR A 75 11.584 -8.964 12.620 1.00 0.00 C ATOM 671 OG1 THR A 75 10.765 -8.013 11.932 1.00 0.00 O ATOM 672 CG2 THR A 75 10.999 -9.243 13.997 1.00 0.00 C ATOM 0 H THR A 75 12.345 -6.868 13.952 1.00 0.00 H new ATOM 0 HA THR A 75 13.693 -9.263 12.962 1.00 0.00 H new ATOM 0 HB THR A 75 11.608 -9.897 12.057 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.851 -8.359 11.861 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.981 -9.618 13.891 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.609 -9.989 14.507 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.988 -8.323 14.581 1.00 0.00 H new ATOM 680 N LYS A 76 13.517 -6.481 11.383 1.00 0.00 N ATOM 681 CA LYS A 76 13.897 -5.759 10.174 1.00 0.00 C ATOM 682 C LYS A 76 12.818 -5.884 9.104 1.00 0.00 C ATOM 683 O LYS A 76 13.099 -5.783 7.909 1.00 0.00 O ATOM 684 CB LYS A 76 15.228 -6.289 9.637 1.00 0.00 C ATOM 685 CG LYS A 76 16.328 -6.347 10.683 1.00 0.00 C ATOM 686 CD LYS A 76 16.798 -4.956 11.075 1.00 0.00 C ATOM 687 CE LYS A 76 18.220 -4.980 11.613 1.00 0.00 C ATOM 688 NZ LYS A 76 19.228 -4.994 10.517 1.00 0.00 N ATOM 0 H LYS A 76 13.329 -5.884 12.188 1.00 0.00 H new ATOM 0 HA LYS A 76 14.009 -4.705 10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.073 -7.288 9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.555 -5.655 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.964 -6.872 11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.170 -6.921 10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.746 -4.296 10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.129 -4.544 11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.384 -4.108 12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.355 -5.860 12.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.184 -5.010 10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.089 -5.840 9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.116 -4.142 9.931 1.00 0.00 H new ATOM 702 N LYS A 77 11.582 -6.102 9.539 1.00 0.00 N ATOM 703 CA LYS A 77 10.459 -6.238 8.618 1.00 0.00 C ATOM 704 C LYS A 77 9.347 -5.254 8.967 1.00 0.00 C ATOM 705 O LYS A 77 9.103 -4.945 10.134 1.00 0.00 O ATOM 706 CB LYS A 77 9.917 -7.669 8.651 1.00 0.00 C ATOM 707 CG LYS A 77 10.743 -8.651 7.837 1.00 0.00 C ATOM 708 CD LYS A 77 9.937 -9.885 7.467 1.00 0.00 C ATOM 709 CE LYS A 77 10.836 -11.016 6.991 1.00 0.00 C ATOM 710 NZ LYS A 77 11.134 -10.912 5.536 1.00 0.00 N ATOM 0 H LYS A 77 11.332 -6.188 10.524 1.00 0.00 H new ATOM 0 HA LYS A 77 10.816 -6.014 7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.878 -8.010 9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.893 -7.670 8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.100 -8.163 6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.623 -8.948 8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.360 -10.216 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.222 -9.633 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.769 -11.000 7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.356 -11.973 7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.749 -11.701 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.246 -10.952 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.615 -10.010 5.344 1.00 0.00 H new ATOM 724 N PRO A 78 8.655 -4.751 7.934 1.00 0.00 N ATOM 725 CA PRO A 78 7.557 -3.796 8.108 1.00 0.00 C ATOM 726 C PRO A 78 6.328 -4.435 8.745 1.00 0.00 C ATOM 727 O PRO A 78 6.132 -5.648 8.661 1.00 0.00 O ATOM 728 CB PRO A 78 7.246 -3.350 6.677 1.00 0.00 C ATOM 729 CG PRO A 78 7.700 -4.481 5.820 1.00 0.00 C ATOM 730 CD PRO A 78 8.892 -5.075 6.518 1.00 0.00 C ATOM 0 HA PRO A 78 7.830 -2.978 8.775 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.181 -3.156 6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.771 -2.428 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.909 -5.221 5.699 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.965 -4.133 4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.956 -6.151 6.357 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.825 -4.642 6.158 1.00 0.00 H new ATOM 738 N LYS A 79 5.503 -3.613 9.383 1.00 0.00 N ATOM 739 CA LYS A 79 4.291 -4.097 10.034 1.00 0.00 C ATOM 740 C LYS A 79 3.134 -4.172 9.044 1.00 0.00 C ATOM 741 O LYS A 79 2.029 -4.583 9.395 1.00 0.00 O ATOM 742 CB LYS A 79 3.917 -3.184 11.204 1.00 0.00 C ATOM 743 CG LYS A 79 5.006 -3.065 12.256 1.00 0.00 C ATOM 744 CD LYS A 79 5.955 -1.919 11.949 1.00 0.00 C ATOM 745 CE LYS A 79 6.695 -1.459 13.195 1.00 0.00 C ATOM 746 NZ LYS A 79 5.827 -0.638 14.084 1.00 0.00 N ATOM 0 H LYS A 79 5.651 -2.607 9.464 1.00 0.00 H new ATOM 0 HA LYS A 79 4.488 -5.100 10.412 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.685 -2.191 10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.010 -3.563 11.674 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.552 -2.910 13.235 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.566 -3.999 12.308 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.674 -2.234 11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.395 -1.084 11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.058 -2.328 13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.570 -0.878 12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.404 -0.218 14.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.379 0.119 13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.091 -1.241 14.504 1.00 0.00 H new ATOM 760 N GLY A 80 3.396 -3.774 7.802 1.00 0.00 N ATOM 761 CA GLY A 80 2.367 -3.806 6.780 1.00 0.00 C ATOM 762 C GLY A 80 1.610 -2.497 6.679 1.00 0.00 C ATOM 763 O GLY A 80 0.393 -2.488 6.491 1.00 0.00 O ATOM 0 H GLY A 80 4.303 -3.430 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.823 -4.034 5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.666 -4.612 6.999 1.00 0.00 H new ATOM 767 N PHE A 81 2.330 -1.387 6.805 1.00 0.00 N ATOM 768 CA PHE A 81 1.718 -0.066 6.729 1.00 0.00 C ATOM 769 C PHE A 81 2.758 0.996 6.381 1.00 0.00 C ATOM 770 O PHE A 81 3.934 0.862 6.718 1.00 0.00 O ATOM 771 CB PHE A 81 1.041 0.283 8.056 1.00 0.00 C ATOM 772 CG PHE A 81 1.949 0.982 9.027 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.260 2.322 8.864 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.492 0.298 10.103 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.095 2.968 9.756 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.327 0.938 10.999 1.00 0.00 C ATOM 777 CZ PHE A 81 3.630 2.275 10.824 1.00 0.00 C ATOM 0 H PHE A 81 3.338 -1.376 6.960 1.00 0.00 H new ATOM 0 HA PHE A 81 0.966 -0.086 5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.177 0.917 7.858 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.666 -0.632 8.515 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.845 2.868 8.030 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.260 -0.747 10.243 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.329 4.013 9.618 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.742 0.394 11.835 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.284 2.777 11.521 1.00 0.00 H new ATOM 787 N ALA A 82 2.314 2.050 5.705 1.00 0.00 N ATOM 788 CA ALA A 82 3.205 3.136 5.312 1.00 0.00 C ATOM 789 C ALA A 82 2.415 4.385 4.937 1.00 0.00 C ATOM 790 O ALA A 82 1.184 4.368 4.908 1.00 0.00 O ATOM 791 CB ALA A 82 4.089 2.700 4.153 1.00 0.00 C ATOM 0 H ALA A 82 1.343 2.176 5.418 1.00 0.00 H new ATOM 0 HA ALA A 82 3.838 3.381 6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.749 3.520 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.687 1.841 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.465 2.426 3.302 1.00 0.00 H new ATOM 797 N PHE A 83 3.130 5.468 4.651 1.00 0.00 N ATOM 798 CA PHE A 83 2.496 6.727 4.278 1.00 0.00 C ATOM 799 C PHE A 83 3.146 7.315 3.029 1.00 0.00 C ATOM 800 O PHE A 83 4.339 7.618 3.021 1.00 0.00 O ATOM 801 CB PHE A 83 2.584 7.728 5.433 1.00 0.00 C ATOM 802 CG PHE A 83 1.655 7.414 6.570 1.00 0.00 C ATOM 803 CD1 PHE A 83 1.944 6.388 7.455 1.00 0.00 C ATOM 804 CD2 PHE A 83 0.494 8.146 6.755 1.00 0.00 C ATOM 805 CE1 PHE A 83 1.090 6.097 8.502 1.00 0.00 C ATOM 806 CE2 PHE A 83 -0.364 7.860 7.801 1.00 0.00 C ATOM 807 CZ PHE A 83 -0.064 6.835 8.676 1.00 0.00 C ATOM 0 H PHE A 83 4.149 5.499 4.670 1.00 0.00 H new ATOM 0 HA PHE A 83 1.447 6.526 4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.608 7.751 5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.360 8.726 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.847 5.809 7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.256 8.950 6.074 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.325 5.293 9.184 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.267 8.437 7.933 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.731 6.611 9.495 1.00 0.00 H new ATOM 817 N VAL A 84 2.352 7.474 1.975 1.00 0.00 N ATOM 818 CA VAL A 84 2.848 8.026 0.720 1.00 0.00 C ATOM 819 C VAL A 84 2.393 9.469 0.537 1.00 0.00 C ATOM 820 O VAL A 84 1.272 9.830 0.897 1.00 0.00 O ATOM 821 CB VAL A 84 2.375 7.193 -0.486 1.00 0.00 C ATOM 822 CG1 VAL A 84 3.090 7.634 -1.754 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.596 5.710 -0.228 1.00 0.00 C ATOM 0 H VAL A 84 1.362 7.228 1.965 1.00 0.00 H new ATOM 0 HA VAL A 84 3.936 7.995 0.769 1.00 0.00 H new ATOM 0 HB VAL A 84 1.307 7.360 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.743 7.034 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.876 8.685 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.165 7.499 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.256 5.136 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.657 5.524 -0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.033 5.406 0.655 1.00 0.00 H new ATOM 833 N THR A 85 3.271 10.294 -0.026 1.00 0.00 N ATOM 834 CA THR A 85 2.960 11.699 -0.258 1.00 0.00 C ATOM 835 C THR A 85 3.357 12.125 -1.667 1.00 0.00 C ATOM 836 O THR A 85 4.541 12.242 -1.980 1.00 0.00 O ATOM 837 CB THR A 85 3.674 12.607 0.761 1.00 0.00 C ATOM 838 OG1 THR A 85 3.272 12.262 2.091 1.00 0.00 O ATOM 839 CG2 THR A 85 3.360 14.071 0.494 1.00 0.00 C ATOM 0 H THR A 85 4.203 10.013 -0.330 1.00 0.00 H new ATOM 0 HA THR A 85 1.882 11.808 -0.139 1.00 0.00 H new ATOM 0 HB THR A 85 4.749 12.458 0.657 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.732 12.843 2.733 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.875 14.693 1.226 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.694 14.338 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.285 14.233 0.573 1.00 0.00 H new ATOM 847 N PHE A 86 2.358 12.356 -2.513 1.00 0.00 N ATOM 848 CA PHE A 86 2.604 12.769 -3.890 1.00 0.00 C ATOM 849 C PHE A 86 2.866 14.270 -3.969 1.00 0.00 C ATOM 850 O PHE A 86 2.269 15.055 -3.232 1.00 0.00 O ATOM 851 CB PHE A 86 1.411 12.401 -4.775 1.00 0.00 C ATOM 852 CG PHE A 86 1.415 10.967 -5.221 1.00 0.00 C ATOM 853 CD1 PHE A 86 2.207 10.560 -6.282 1.00 0.00 C ATOM 854 CD2 PHE A 86 0.628 10.025 -4.578 1.00 0.00 C ATOM 855 CE1 PHE A 86 2.212 9.241 -6.695 1.00 0.00 C ATOM 856 CE2 PHE A 86 0.629 8.705 -4.985 1.00 0.00 C ATOM 857 CZ PHE A 86 1.423 8.312 -6.045 1.00 0.00 C ATOM 0 H PHE A 86 1.372 12.264 -2.269 1.00 0.00 H new ATOM 0 HA PHE A 86 3.490 12.244 -4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.489 12.601 -4.229 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.408 13.046 -5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.828 11.282 -6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.006 10.327 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.832 8.937 -7.525 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.010 7.981 -4.475 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.427 7.280 -6.365 1.00 0.00 H new ATOM 867 N MET A 87 3.764 14.661 -4.867 1.00 0.00 N ATOM 868 CA MET A 87 4.105 16.068 -5.043 1.00 0.00 C ATOM 869 C MET A 87 2.863 16.893 -5.365 1.00 0.00 C ATOM 870 O MET A 87 2.726 18.030 -4.914 1.00 0.00 O ATOM 871 CB MET A 87 5.142 16.228 -6.157 1.00 0.00 C ATOM 872 CG MET A 87 6.091 17.395 -5.940 1.00 0.00 C ATOM 873 SD MET A 87 7.142 17.710 -7.371 1.00 0.00 S ATOM 874 CE MET A 87 8.218 16.279 -7.322 1.00 0.00 C ATOM 0 H MET A 87 4.268 14.024 -5.484 1.00 0.00 H new ATOM 0 HA MET A 87 4.528 16.433 -4.107 1.00 0.00 H new ATOM 0 HB2 MET A 87 5.722 15.309 -6.237 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.625 16.363 -7.107 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.513 18.291 -5.714 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.717 17.192 -5.071 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.251 16.604 -7.195 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.934 15.639 -6.487 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.125 15.722 -8.254 1.00 0.00 H new ATOM 884 N PHE A 88 1.961 16.313 -6.149 1.00 0.00 N ATOM 885 CA PHE A 88 0.730 16.995 -6.533 1.00 0.00 C ATOM 886 C PHE A 88 -0.493 16.160 -6.164 1.00 0.00 C ATOM 887 O PHE A 88 -0.461 14.929 -6.173 1.00 0.00 O ATOM 888 CB PHE A 88 0.730 17.284 -8.036 1.00 0.00 C ATOM 889 CG PHE A 88 1.885 18.134 -8.483 1.00 0.00 C ATOM 890 CD1 PHE A 88 1.830 19.514 -8.372 1.00 0.00 C ATOM 891 CD2 PHE A 88 3.025 17.553 -9.013 1.00 0.00 C ATOM 892 CE1 PHE A 88 2.891 20.298 -8.784 1.00 0.00 C ATOM 893 CE2 PHE A 88 4.090 18.332 -9.426 1.00 0.00 C ATOM 894 CZ PHE A 88 4.022 19.707 -9.310 1.00 0.00 C ATOM 0 H PHE A 88 2.059 15.372 -6.531 1.00 0.00 H new ATOM 0 HA PHE A 88 0.681 17.938 -5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.753 16.339 -8.579 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.202 17.783 -8.302 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.949 19.982 -7.959 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.083 16.478 -9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.835 21.373 -8.694 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.973 17.867 -9.838 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.853 20.319 -9.630 1.00 0.00 H new ATOM 904 N PRO A 89 -1.597 16.844 -5.831 1.00 0.00 N ATOM 905 CA PRO A 89 -2.852 16.187 -5.453 1.00 0.00 C ATOM 906 C PRO A 89 -3.520 15.491 -6.633 1.00 0.00 C ATOM 907 O PRO A 89 -3.907 14.326 -6.540 1.00 0.00 O ATOM 908 CB PRO A 89 -3.721 17.343 -4.952 1.00 0.00 C ATOM 909 CG PRO A 89 -3.183 18.548 -5.643 1.00 0.00 C ATOM 910 CD PRO A 89 -1.707 18.312 -5.799 1.00 0.00 C ATOM 0 HA PRO A 89 -2.694 15.403 -4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.771 17.183 -5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.657 17.446 -3.869 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.660 18.687 -6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.375 19.450 -5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.322 18.764 -6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.142 18.739 -4.970 1.00 0.00 H new ATOM 918 N GLU A 90 -3.652 16.211 -7.742 1.00 0.00 N ATOM 919 CA GLU A 90 -4.275 15.661 -8.941 1.00 0.00 C ATOM 920 C GLU A 90 -3.884 14.199 -9.134 1.00 0.00 C ATOM 921 O GLU A 90 -4.726 13.356 -9.448 1.00 0.00 O ATOM 922 CB GLU A 90 -3.872 16.476 -10.172 1.00 0.00 C ATOM 923 CG GLU A 90 -2.390 16.393 -10.497 1.00 0.00 C ATOM 924 CD GLU A 90 -1.960 17.422 -11.525 1.00 0.00 C ATOM 925 OE1 GLU A 90 -2.771 17.743 -12.419 1.00 0.00 O ATOM 926 OE2 GLU A 90 -0.813 17.906 -11.435 1.00 0.00 O ATOM 0 H GLU A 90 -3.336 17.176 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.356 15.717 -8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.444 16.127 -11.032 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.142 17.520 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.813 16.535 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.159 15.395 -10.869 1.00 0.00 H new ATOM 933 N HIS A 91 -2.602 13.905 -8.946 1.00 0.00 N ATOM 934 CA HIS A 91 -2.098 12.545 -9.100 1.00 0.00 C ATOM 935 C HIS A 91 -2.570 11.658 -7.951 1.00 0.00 C ATOM 936 O HIS A 91 -3.057 10.549 -8.171 1.00 0.00 O ATOM 937 CB HIS A 91 -0.570 12.548 -9.162 1.00 0.00 C ATOM 938 CG HIS A 91 -0.016 13.458 -10.215 1.00 0.00 C ATOM 939 ND1 HIS A 91 1.057 14.295 -9.997 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.392 13.657 -11.500 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.317 14.972 -11.101 1.00 0.00 C ATOM 942 NE2 HIS A 91 0.452 14.603 -12.029 1.00 0.00 N ATOM 0 H HIS A 91 -1.893 14.590 -8.687 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.491 12.142 -10.033 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.176 12.847 -8.191 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.220 11.533 -9.350 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.204 13.164 -12.014 1.00 0.00 H new ATOM 0 HE1 HIS A 91 2.103 15.703 -11.224 1.00 0.00 H new ATOM 0 HE2 HIS A 91 0.417 14.962 -12.983 1.00 0.00 H new ATOM 951 N ALA A 92 -2.421 12.154 -6.727 1.00 0.00 N ATOM 952 CA ALA A 92 -2.833 11.407 -5.545 1.00 0.00 C ATOM 953 C ALA A 92 -4.237 10.837 -5.718 1.00 0.00 C ATOM 954 O ALA A 92 -4.567 9.792 -5.157 1.00 0.00 O ATOM 955 CB ALA A 92 -2.770 12.295 -4.312 1.00 0.00 C ATOM 0 H ALA A 92 -2.018 13.070 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.144 10.573 -5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.080 11.725 -3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.749 12.650 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.436 13.148 -4.444 1.00 0.00 H new ATOM 961 N VAL A 93 -5.061 11.530 -6.498 1.00 0.00 N ATOM 962 CA VAL A 93 -6.429 11.092 -6.745 1.00 0.00 C ATOM 963 C VAL A 93 -6.456 9.816 -7.578 1.00 0.00 C ATOM 964 O VAL A 93 -7.111 8.838 -7.216 1.00 0.00 O ATOM 965 CB VAL A 93 -7.245 12.181 -7.467 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.661 11.696 -7.738 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.260 13.465 -6.650 1.00 0.00 C ATOM 0 H VAL A 93 -4.804 12.397 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.879 10.896 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.769 12.392 -8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.222 12.479 -8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.627 10.806 -8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.150 11.456 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.841 14.223 -7.175 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.711 13.272 -5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.239 13.821 -6.512 1.00 0.00 H new ATOM 977 N LYS A 94 -5.739 9.831 -8.696 1.00 0.00 N ATOM 978 CA LYS A 94 -5.678 8.674 -9.582 1.00 0.00 C ATOM 979 C LYS A 94 -5.219 7.433 -8.825 1.00 0.00 C ATOM 980 O LYS A 94 -5.762 6.344 -9.010 1.00 0.00 O ATOM 981 CB LYS A 94 -4.731 8.951 -10.752 1.00 0.00 C ATOM 982 CG LYS A 94 -4.591 7.782 -11.711 1.00 0.00 C ATOM 983 CD LYS A 94 -3.307 7.873 -12.518 1.00 0.00 C ATOM 984 CE LYS A 94 -3.204 6.744 -13.531 1.00 0.00 C ATOM 985 NZ LYS A 94 -2.375 7.128 -14.707 1.00 0.00 N ATOM 0 H LYS A 94 -5.191 10.632 -9.011 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.680 8.491 -9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.091 9.820 -11.302 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.747 9.208 -10.359 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.604 6.847 -11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.446 7.760 -12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.268 8.832 -13.035 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.450 7.839 -11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.771 5.865 -13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.203 6.465 -13.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.329 6.332 -15.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.802 7.951 -15.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.414 7.370 -14.390 1.00 0.00 H new ATOM 999 N ALA A 95 -4.216 7.604 -7.970 1.00 0.00 N ATOM 1000 CA ALA A 95 -3.686 6.498 -7.182 1.00 0.00 C ATOM 1001 C ALA A 95 -4.682 6.058 -6.114 1.00 0.00 C ATOM 1002 O ALA A 95 -4.960 4.868 -5.964 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.363 6.892 -6.542 1.00 0.00 C ATOM 0 H ALA A 95 -3.754 8.498 -7.805 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.516 5.656 -7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.979 6.057 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.645 7.150 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.516 7.752 -5.890 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.215 7.024 -5.375 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.177 6.736 -4.319 1.00 0.00 C ATOM 1011 C TYR A 96 -7.470 6.170 -4.899 1.00 0.00 C ATOM 1012 O TYR A 96 -8.264 5.553 -4.190 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.478 8.001 -3.514 1.00 0.00 C ATOM 1014 CG TYR A 96 -7.760 7.922 -2.717 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -7.947 6.929 -1.762 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -8.785 8.838 -2.918 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.116 6.851 -1.031 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -9.958 8.769 -2.190 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.119 7.774 -1.249 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.286 7.701 -0.523 1.00 0.00 O ATOM 0 H TYR A 96 -4.997 8.014 -5.488 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.738 5.989 -3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.649 8.194 -2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.536 8.850 -4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.164 6.206 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.663 9.617 -3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.245 6.073 -0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.744 9.490 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.888 8.424 -0.797 1.00 0.00 H new ATOM 1030 N ALA A 97 -7.672 6.383 -6.195 1.00 0.00 N ATOM 1031 CA ALA A 97 -8.865 5.893 -6.873 1.00 0.00 C ATOM 1032 C ALA A 97 -8.686 4.447 -7.324 1.00 0.00 C ATOM 1033 O ALA A 97 -9.639 3.669 -7.338 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.199 6.781 -8.063 1.00 0.00 C ATOM 0 H ALA A 97 -7.024 6.892 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.693 5.926 -6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.092 6.403 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.379 7.799 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.365 6.778 -8.765 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.458 4.095 -7.691 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.155 2.742 -8.143 1.00 0.00 C ATOM 1042 C GLU A 98 -6.592 1.900 -7.002 1.00 0.00 C ATOM 1043 O GLU A 98 -7.160 0.870 -6.636 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.159 2.779 -9.304 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.771 3.235 -10.617 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.357 2.087 -11.417 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -6.614 1.478 -12.214 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -8.560 1.799 -11.245 1.00 0.00 O ATOM 0 H GLU A 98 -6.658 4.727 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.083 2.285 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.337 3.446 -9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.733 1.785 -9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.552 3.968 -10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.009 3.737 -11.214 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.471 2.345 -6.443 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.831 1.633 -5.343 1.00 0.00 C ATOM 1057 C VAL A 99 -5.860 1.153 -4.326 1.00 0.00 C ATOM 1058 O VAL A 99 -5.930 -0.036 -4.013 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.795 2.521 -4.628 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.185 1.784 -3.446 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.716 2.970 -5.602 1.00 0.00 C ATOM 0 H VAL A 99 -4.987 3.195 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.324 0.771 -5.776 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.302 3.408 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.456 2.427 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.970 1.518 -2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.691 0.878 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.993 3.596 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.210 2.096 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.171 3.540 -6.412 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.657 2.084 -3.815 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.685 1.755 -2.834 1.00 0.00 C ATOM 1073 C ASP A 100 -8.547 0.593 -3.317 1.00 0.00 C ATOM 1074 O ASP A 100 -9.461 0.777 -4.119 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.563 2.976 -2.555 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.495 3.294 -3.708 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.058 3.181 -4.872 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.662 3.656 -3.446 1.00 0.00 O ATOM 0 H ASP A 100 -6.612 3.072 -4.063 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.188 1.455 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -9.151 2.799 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.928 3.839 -2.356 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.246 -0.605 -2.825 1.00 0.00 N ATOM 1084 CA GLY A 101 -9.002 -1.780 -3.219 1.00 0.00 C ATOM 1085 C GLY A 101 -8.235 -2.666 -4.180 1.00 0.00 C ATOM 1086 O GLY A 101 -8.831 -3.425 -4.944 1.00 0.00 O ATOM 0 H GLY A 101 -7.493 -0.783 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.265 -2.354 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.937 -1.468 -3.684 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.910 -2.570 -4.143 1.00 0.00 N ATOM 1091 CA GLN A 102 -6.061 -3.368 -5.019 1.00 0.00 C ATOM 1092 C GLN A 102 -5.294 -4.419 -4.224 1.00 0.00 C ATOM 1093 O GLN A 102 -5.008 -4.232 -3.041 1.00 0.00 O ATOM 1094 CB GLN A 102 -5.082 -2.468 -5.775 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.771 -2.244 -5.040 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.774 -1.445 -5.856 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.780 -1.494 -7.087 1.00 0.00 O ATOM 1098 NE2 GLN A 102 -1.910 -0.702 -5.174 1.00 0.00 N ATOM 0 H GLN A 102 -6.401 -1.947 -3.516 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.702 -3.879 -5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.872 -2.911 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.555 -1.504 -5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.968 -1.723 -4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.334 -3.209 -4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.940 -0.691 -4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.216 -0.142 -5.670 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.963 -5.526 -4.882 1.00 0.00 N ATOM 1108 CA VAL A 103 -4.227 -6.607 -4.236 1.00 0.00 C ATOM 1109 C VAL A 103 -2.743 -6.544 -4.579 1.00 0.00 C ATOM 1110 O VAL A 103 -2.367 -6.501 -5.750 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.779 -7.985 -4.648 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.831 -9.092 -4.212 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -6.167 -8.199 -4.063 1.00 0.00 C ATOM 0 H VAL A 103 -5.193 -5.698 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.354 -6.478 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.859 -8.015 -5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.237 -10.058 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.859 -8.945 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.716 -9.067 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.542 -9.177 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.115 -8.149 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.840 -7.424 -4.430 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.904 -6.538 -3.549 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.459 -6.479 -3.740 1.00 0.00 C ATOM 1125 C PHE A 104 0.182 -7.834 -3.459 1.00 0.00 C ATOM 1126 O PHE A 104 0.419 -8.192 -2.306 1.00 0.00 O ATOM 1127 CB PHE A 104 0.154 -5.413 -2.830 1.00 0.00 C ATOM 1128 CG PHE A 104 1.449 -4.856 -3.347 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.462 -3.978 -4.420 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.654 -5.210 -2.762 1.00 0.00 C ATOM 1131 CE1 PHE A 104 2.652 -3.463 -4.898 1.00 0.00 C ATOM 1132 CE2 PHE A 104 3.847 -4.698 -3.236 1.00 0.00 C ATOM 1133 CZ PHE A 104 3.846 -3.824 -4.306 1.00 0.00 C ATOM 0 H PHE A 104 -2.199 -6.573 -2.573 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.265 -6.214 -4.779 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.559 -4.598 -2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.321 -5.842 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.531 -3.693 -4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.661 -5.894 -1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.648 -2.779 -5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.779 -4.981 -2.770 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.777 -3.424 -4.679 1.00 0.00 H new ATOM 1143 N GLN A 105 0.460 -8.583 -4.522 1.00 0.00 N ATOM 1144 CA GLN A 105 1.073 -9.899 -4.389 1.00 0.00 C ATOM 1145 C GLN A 105 0.348 -10.734 -3.338 1.00 0.00 C ATOM 1146 O GLN A 105 0.934 -11.626 -2.727 1.00 0.00 O ATOM 1147 CB GLN A 105 2.550 -9.762 -4.018 1.00 0.00 C ATOM 1148 CG GLN A 105 2.778 -9.309 -2.585 1.00 0.00 C ATOM 1149 CD GLN A 105 4.150 -9.690 -2.064 1.00 0.00 C ATOM 1150 OE1 GLN A 105 4.300 -10.672 -1.337 1.00 0.00 O ATOM 1151 NE2 GLN A 105 5.161 -8.912 -2.433 1.00 0.00 N ATOM 0 H GLN A 105 0.270 -8.301 -5.484 1.00 0.00 H new ATOM 0 HA GLN A 105 0.993 -10.408 -5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.045 -10.721 -4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.021 -9.049 -4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.659 -8.227 -2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.015 -9.749 -1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.992 -8.108 -3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.107 -9.119 -2.112 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.932 -10.438 -3.134 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.716 -11.169 -2.156 1.00 0.00 C ATOM 1162 C GLY A 106 -1.930 -10.383 -0.878 1.00 0.00 C ATOM 1163 O GLY A 106 -2.060 -10.961 0.201 1.00 0.00 O ATOM 0 H GLY A 106 -1.440 -9.705 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.684 -11.424 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.214 -12.108 -1.921 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.966 -9.060 -0.999 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.164 -8.192 0.156 1.00 0.00 C ATOM 1169 C ARG A 107 -3.216 -7.127 -0.137 1.00 0.00 C ATOM 1170 O ARG A 107 -3.024 -6.271 -1.000 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.845 -7.525 0.551 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.035 -8.326 1.557 1.00 0.00 C ATOM 1173 CD ARG A 107 -0.749 -8.424 2.896 1.00 0.00 C ATOM 1174 NE ARG A 107 -1.656 -9.567 2.950 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.260 -10.807 3.215 1.00 0.00 C ATOM 1176 NH1 ARG A 107 0.020 -11.062 3.450 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -2.145 -11.795 3.247 1.00 0.00 N ATOM 0 H ARG A 107 -1.861 -8.566 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.516 -8.807 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.244 -7.369 -0.345 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.056 -6.541 0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.146 -9.327 1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.939 -7.858 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.012 -8.508 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.310 -7.507 3.076 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.648 -9.404 2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 107 0.703 -10.305 3.428 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.321 -12.015 3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.131 -11.603 3.068 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.840 -12.747 3.451 1.00 0.00 H new ATOM 1191 N MET A 108 -4.329 -7.188 0.587 1.00 0.00 N ATOM 1192 CA MET A 108 -5.412 -6.228 0.405 1.00 0.00 C ATOM 1193 C MET A 108 -5.020 -4.857 0.946 1.00 0.00 C ATOM 1194 O MET A 108 -5.183 -4.578 2.135 1.00 0.00 O ATOM 1195 CB MET A 108 -6.682 -6.721 1.102 1.00 0.00 C ATOM 1196 CG MET A 108 -7.964 -6.245 0.438 1.00 0.00 C ATOM 1197 SD MET A 108 -7.842 -4.553 -0.173 1.00 0.00 S ATOM 1198 CE MET A 108 -7.769 -4.835 -1.940 1.00 0.00 C ATOM 0 H MET A 108 -4.505 -7.891 1.305 1.00 0.00 H new ATOM 0 HA MET A 108 -5.606 -6.135 -0.664 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.676 -7.811 1.122 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.672 -6.383 2.138 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.208 -6.910 -0.391 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.785 -6.311 1.152 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.202 -4.033 -2.413 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.280 -5.789 -2.136 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.780 -4.854 -2.347 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.504 -4.005 0.068 1.00 0.00 N ATOM 1209 CA LEU A 109 -4.089 -2.662 0.459 1.00 0.00 C ATOM 1210 C LEU A 109 -5.299 -1.764 0.693 1.00 0.00 C ATOM 1211 O LEU A 109 -6.137 -1.590 -0.193 1.00 0.00 O ATOM 1212 CB LEU A 109 -3.188 -2.052 -0.617 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.960 -2.875 -1.009 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.264 -2.255 -2.211 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.999 -2.992 0.165 1.00 0.00 C ATOM 0 H LEU A 109 -4.363 -4.220 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.531 -2.739 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.788 -1.882 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.851 -1.076 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.290 -3.877 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.393 -2.854 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.953 -2.225 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.947 -1.242 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.131 -3.581 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.675 -1.997 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.501 -3.482 0.999 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.384 -1.193 1.890 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.491 -0.310 2.240 1.00 0.00 C ATOM 1229 C HIS A 110 -6.034 1.145 2.276 1.00 0.00 C ATOM 1230 O HIS A 110 -5.385 1.580 3.227 1.00 0.00 O ATOM 1231 CB HIS A 110 -7.078 -0.706 3.595 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.872 -1.976 3.556 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -8.916 -2.237 4.418 1.00 0.00 N ATOM 1234 CD2 HIS A 110 -7.770 -3.059 2.750 1.00 0.00 C ATOM 1235 CE1 HIS A 110 -9.421 -3.427 4.146 1.00 0.00 C ATOM 1236 NE2 HIS A 110 -8.744 -3.946 3.137 1.00 0.00 N ATOM 0 H HIS A 110 -4.699 -1.326 2.634 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.261 -0.412 1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.267 -0.816 4.315 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.716 0.101 3.955 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -9.247 -1.609 5.151 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -7.056 -3.199 1.952 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.247 -3.896 4.661 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.378 1.894 1.233 1.00 0.00 N ATOM 1246 CA VAL A 111 -6.004 3.300 1.145 1.00 0.00 C ATOM 1247 C VAL A 111 -7.102 4.197 1.705 1.00 0.00 C ATOM 1248 O VAL A 111 -8.289 3.955 1.484 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.711 3.714 -0.310 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -5.057 5.086 -0.354 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.835 2.674 -0.993 1.00 0.00 C ATOM 0 H VAL A 111 -6.915 1.550 0.437 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.099 3.424 1.739 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.656 3.772 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.858 5.361 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.724 5.822 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.119 5.060 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.638 2.982 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.892 2.582 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.347 1.712 -0.995 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.698 5.234 2.431 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.648 6.169 3.023 1.00 0.00 C ATOM 1263 C LEU A 112 -7.097 7.591 3.003 1.00 0.00 C ATOM 1264 O LEU A 112 -5.923 7.832 3.285 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.973 5.756 4.460 1.00 0.00 C ATOM 1266 CG LEU A 112 -9.182 6.440 5.098 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -10.474 5.913 4.493 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -9.176 6.236 6.606 1.00 0.00 C ATOM 0 H LEU A 112 -5.720 5.448 2.624 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.562 6.145 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.139 4.679 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.099 5.955 5.080 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.119 7.509 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.324 6.411 4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.481 6.111 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.544 4.839 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.044 6.730 7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.214 5.170 6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.265 6.662 7.027 1.00 0.00 H new ATOM 1280 N PRO A 113 -7.964 8.557 2.665 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.587 9.973 2.603 1.00 0.00 C ATOM 1282 C PRO A 113 -7.318 10.562 3.984 1.00 0.00 C ATOM 1283 O PRO A 113 -8.119 10.400 4.905 1.00 0.00 O ATOM 1284 CB PRO A 113 -8.810 10.638 1.967 1.00 0.00 C ATOM 1285 CG PRO A 113 -9.947 9.735 2.297 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.378 8.343 2.317 1.00 0.00 C ATOM 0 HA PRO A 113 -6.663 10.125 2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -8.970 11.639 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -8.688 10.743 0.889 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.382 9.993 3.263 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -10.742 9.821 1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.882 7.714 3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.484 7.852 1.350 1.00 0.00 H new ATOM 1294 N SER A 114 -6.186 11.246 4.120 1.00 0.00 N ATOM 1295 CA SER A 114 -5.811 11.856 5.390 1.00 0.00 C ATOM 1296 C SER A 114 -5.709 13.372 5.255 1.00 0.00 C ATOM 1297 O SER A 114 -4.905 13.886 4.476 1.00 0.00 O ATOM 1298 CB SER A 114 -4.478 11.286 5.880 1.00 0.00 C ATOM 1299 OG SER A 114 -4.186 11.729 7.194 1.00 0.00 O ATOM 0 H SER A 114 -5.514 11.391 3.367 1.00 0.00 H new ATOM 0 HA SER A 114 -6.587 11.625 6.119 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.515 10.197 5.860 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.679 11.590 5.204 1.00 0.00 H new ATOM 0 HG SER A 114 -3.330 11.350 7.485 1.00 0.00 H new ATOM 1305 N THR A 115 -6.530 14.085 6.019 1.00 0.00 N ATOM 1306 CA THR A 115 -6.535 15.542 5.985 1.00 0.00 C ATOM 1307 C THR A 115 -6.540 16.125 7.394 1.00 0.00 C ATOM 1308 O THR A 115 -6.888 15.442 8.357 1.00 0.00 O ATOM 1309 CB THR A 115 -7.754 16.082 5.214 1.00 0.00 C ATOM 1310 OG1 THR A 115 -7.982 15.292 4.042 1.00 0.00 O ATOM 1311 CG2 THR A 115 -7.544 17.536 4.819 1.00 0.00 C ATOM 0 H THR A 115 -7.201 13.676 6.670 1.00 0.00 H new ATOM 0 HA THR A 115 -5.624 15.849 5.471 1.00 0.00 H new ATOM 0 HB THR A 115 -8.625 16.022 5.867 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.760 15.641 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.418 17.895 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.401 18.139 5.715 1.00 0.00 H new ATOM 0 HG23 THR A 115 -6.663 17.616 4.183 1.00 0.00 H new ATOM 1319 N ILE A 116 -6.152 17.391 7.506 1.00 0.00 N ATOM 1320 CA ILE A 116 -6.114 18.066 8.798 1.00 0.00 C ATOM 1321 C ILE A 116 -7.334 17.709 9.641 1.00 0.00 C ATOM 1322 O ILE A 116 -8.468 18.019 9.275 1.00 0.00 O ATOM 1323 CB ILE A 116 -6.049 19.595 8.632 1.00 0.00 C ATOM 1324 CG1 ILE A 116 -4.650 20.022 8.181 1.00 0.00 C ATOM 1325 CG2 ILE A 116 -6.424 20.286 9.935 1.00 0.00 C ATOM 1326 CD1 ILE A 116 -4.480 20.041 6.678 1.00 0.00 C ATOM 0 H ILE A 116 -5.860 17.970 6.719 1.00 0.00 H new ATOM 0 HA ILE A 116 -5.212 17.725 9.306 1.00 0.00 H new ATOM 0 HB ILE A 116 -6.765 19.893 7.866 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -4.437 21.016 8.575 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -3.915 19.343 8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -6.373 21.367 9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -7.438 20.003 10.219 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.730 19.984 10.720 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -3.465 20.353 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -4.661 19.043 6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.191 20.741 6.240 1.00 0.00 H new ATOM 1338 N LYS A 117 -7.093 17.056 10.773 1.00 0.00 N ATOM 1339 CA LYS A 117 -8.170 16.659 11.672 1.00 0.00 C ATOM 1340 C LYS A 117 -8.715 17.862 12.433 1.00 0.00 C ATOM 1341 O LYS A 117 -8.407 18.058 13.609 1.00 0.00 O ATOM 1342 CB LYS A 117 -7.674 15.599 12.658 1.00 0.00 C ATOM 1343 CG LYS A 117 -7.641 14.196 12.078 1.00 0.00 C ATOM 1344 CD LYS A 117 -7.202 13.174 13.114 1.00 0.00 C ATOM 1345 CE LYS A 117 -8.378 12.679 13.941 1.00 0.00 C ATOM 1346 NZ LYS A 117 -9.191 11.673 13.202 1.00 0.00 N ATOM 0 H LYS A 117 -6.160 16.790 11.090 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.975 16.238 11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.672 15.868 12.994 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -8.317 15.604 13.538 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.630 13.933 11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -6.960 14.169 11.228 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.726 12.330 12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -6.455 13.619 13.771 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -8.010 12.239 14.868 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.009 13.524 14.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -10.175 11.707 13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -9.165 11.886 12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.801 10.723 13.367 1.00 0.00 H new ATOM 1360 N LYS A 118 -9.529 18.666 11.757 1.00 0.00 N ATOM 1361 CA LYS A 118 -10.120 19.850 12.370 1.00 0.00 C ATOM 1362 C LYS A 118 -11.437 20.213 11.693 1.00 0.00 C ATOM 1363 O LYS A 118 -11.577 20.082 10.477 1.00 0.00 O ATOM 1364 CB LYS A 118 -9.150 21.030 12.288 1.00 0.00 C ATOM 1365 CG LYS A 118 -7.907 20.857 13.143 1.00 0.00 C ATOM 1366 CD LYS A 118 -7.279 22.196 13.493 1.00 0.00 C ATOM 1367 CE LYS A 118 -6.568 22.808 12.296 1.00 0.00 C ATOM 1368 NZ LYS A 118 -6.119 24.201 12.570 1.00 0.00 N ATOM 0 H LYS A 118 -9.795 18.519 10.783 1.00 0.00 H new ATOM 0 HA LYS A 118 -10.320 19.625 13.417 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -8.850 21.171 11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -9.669 21.938 12.596 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -8.165 20.325 14.059 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -7.181 20.242 12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.051 22.879 13.848 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -6.570 22.064 14.310 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -5.707 22.194 12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -7.237 22.805 11.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.639 24.583 11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -6.943 24.793 12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -5.460 24.201 13.375 1.00 0.00 H new ATOM 1382 N GLU A 119 -12.400 20.670 12.487 1.00 0.00 N ATOM 1383 CA GLU A 119 -13.705 21.053 11.963 1.00 0.00 C ATOM 1384 C GLU A 119 -14.054 22.484 12.361 1.00 0.00 C ATOM 1385 O GLU A 119 -14.466 22.742 13.491 1.00 0.00 O ATOM 1386 CB GLU A 119 -14.784 20.094 12.470 1.00 0.00 C ATOM 1387 CG GLU A 119 -14.917 18.831 11.635 1.00 0.00 C ATOM 1388 CD GLU A 119 -15.121 19.123 10.162 1.00 0.00 C ATOM 1389 OE1 GLU A 119 -16.168 19.709 9.814 1.00 0.00 O ATOM 1390 OE2 GLU A 119 -14.235 18.768 9.357 1.00 0.00 O ATOM 0 H GLU A 119 -12.301 20.784 13.496 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.661 20.998 10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -14.557 19.817 13.499 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -15.742 20.613 12.484 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.022 18.222 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -15.757 18.243 12.004 1.00 0.00 H new ATOM 1397 N ALA A 120 -13.884 23.411 11.423 1.00 0.00 N ATOM 1398 CA ALA A 120 -14.182 24.815 11.675 1.00 0.00 C ATOM 1399 C ALA A 120 -15.212 25.345 10.683 1.00 0.00 C ATOM 1400 O ALA A 120 -15.063 25.182 9.472 1.00 0.00 O ATOM 1401 CB ALA A 120 -12.908 25.645 11.609 1.00 0.00 C ATOM 0 H ALA A 120 -13.542 23.214 10.482 1.00 0.00 H new ATOM 0 HA ALA A 120 -14.605 24.897 12.676 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -13.145 26.692 11.799 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -12.203 25.290 12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.462 25.548 10.619 1.00 0.00 H new ATOM 1407 N SER A 121 -16.258 25.977 11.205 1.00 0.00 N ATOM 1408 CA SER A 121 -17.316 26.527 10.365 1.00 0.00 C ATOM 1409 C SER A 121 -17.623 27.970 10.752 1.00 0.00 C ATOM 1410 O SER A 121 -18.783 28.345 10.918 1.00 0.00 O ATOM 1411 CB SER A 121 -18.582 25.675 10.481 1.00 0.00 C ATOM 1412 OG SER A 121 -19.478 25.947 9.417 1.00 0.00 O ATOM 0 H SER A 121 -16.396 26.121 12.205 1.00 0.00 H new ATOM 0 HA SER A 121 -16.970 26.513 9.331 1.00 0.00 H new ATOM 0 HB2 SER A 121 -18.315 24.618 10.475 1.00 0.00 H new ATOM 0 HB3 SER A 121 -19.072 25.874 11.434 1.00 0.00 H new ATOM 0 HG SER A 121 -19.700 26.902 9.412 1.00 0.00 H new ATOM 1418 N GLN A 122 -16.574 28.774 10.895 1.00 0.00 N ATOM 1419 CA GLN A 122 -16.731 30.176 11.264 1.00 0.00 C ATOM 1420 C GLN A 122 -17.799 30.848 10.407 1.00 0.00 C ATOM 1421 O GLN A 122 -18.685 31.529 10.922 1.00 0.00 O ATOM 1422 CB GLN A 122 -15.401 30.916 11.116 1.00 0.00 C ATOM 1423 CG GLN A 122 -14.829 30.864 9.708 1.00 0.00 C ATOM 1424 CD GLN A 122 -13.473 31.535 9.604 1.00 0.00 C ATOM 1425 OE1 GLN A 122 -12.452 30.958 9.979 1.00 0.00 O ATOM 1426 NE2 GLN A 122 -13.456 32.760 9.093 1.00 0.00 N ATOM 0 H GLN A 122 -15.607 28.479 10.761 1.00 0.00 H new ATOM 0 HA GLN A 122 -17.048 30.218 12.306 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -15.540 31.958 11.404 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -14.677 30.488 11.809 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -14.741 29.824 9.394 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -15.523 31.347 9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -14.326 33.200 8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -12.573 33.261 8.998 1.00 0.00 H new ATOM 1435 N SER A 123 -17.708 30.651 9.095 1.00 0.00 N ATOM 1436 CA SER A 123 -18.663 31.242 8.165 1.00 0.00 C ATOM 1437 C SER A 123 -18.718 30.447 6.865 1.00 0.00 C ATOM 1438 O SER A 123 -17.689 30.165 6.252 1.00 0.00 O ATOM 1439 CB SER A 123 -18.290 32.696 7.872 1.00 0.00 C ATOM 1440 OG SER A 123 -19.346 33.371 7.212 1.00 0.00 O ATOM 0 H SER A 123 -16.983 30.087 8.653 1.00 0.00 H new ATOM 0 HA SER A 123 -19.649 31.215 8.629 1.00 0.00 H new ATOM 0 HB2 SER A 123 -18.053 33.209 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.392 32.727 7.254 1.00 0.00 H new ATOM 0 HG SER A 123 -19.083 34.299 7.038 1.00 0.00 H new ATOM 1446 N GLY A 124 -19.929 30.087 6.448 1.00 0.00 N ATOM 1447 CA GLY A 124 -20.097 29.328 5.223 1.00 0.00 C ATOM 1448 C GLY A 124 -20.833 30.109 4.153 1.00 0.00 C ATOM 1449 O GLY A 124 -22.020 29.897 3.905 1.00 0.00 O ATOM 0 H GLY A 124 -20.796 30.308 6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -19.118 29.033 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -20.644 28.411 5.440 1.00 0.00 H new ATOM 1453 N PRO A 125 -20.122 31.039 3.499 1.00 0.00 N ATOM 1454 CA PRO A 125 -20.695 31.875 2.440 1.00 0.00 C ATOM 1455 C PRO A 125 -21.001 31.079 1.176 1.00 0.00 C ATOM 1456 O PRO A 125 -20.093 30.597 0.499 1.00 0.00 O ATOM 1457 CB PRO A 125 -19.598 32.907 2.169 1.00 0.00 C ATOM 1458 CG PRO A 125 -18.335 32.236 2.588 1.00 0.00 C ATOM 1459 CD PRO A 125 -18.702 31.346 3.742 1.00 0.00 C ATOM 0 HA PRO A 125 -21.647 32.314 2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.568 33.185 1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.767 33.823 2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -17.910 31.657 1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -17.584 32.968 2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -18.093 30.442 3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -18.558 31.848 4.699 1.00 0.00 H new ATOM 1467 N SER A 126 -22.286 30.946 0.862 1.00 0.00 N ATOM 1468 CA SER A 126 -22.712 30.206 -0.319 1.00 0.00 C ATOM 1469 C SER A 126 -22.561 31.056 -1.577 1.00 0.00 C ATOM 1470 O SER A 126 -22.910 32.237 -1.588 1.00 0.00 O ATOM 1471 CB SER A 126 -24.166 29.754 -0.168 1.00 0.00 C ATOM 1472 OG SER A 126 -24.244 28.492 0.471 1.00 0.00 O ATOM 0 H SER A 126 -23.050 31.342 1.410 1.00 0.00 H new ATOM 0 HA SER A 126 -22.074 29.328 -0.416 1.00 0.00 H new ATOM 0 HB2 SER A 126 -24.722 30.493 0.410 1.00 0.00 H new ATOM 0 HB3 SER A 126 -24.636 29.698 -1.150 1.00 0.00 H new ATOM 0 HG SER A 126 -25.183 28.226 0.557 1.00 0.00 H new ATOM 1478 N SER A 127 -22.037 30.447 -2.636 1.00 0.00 N ATOM 1479 CA SER A 127 -21.835 31.148 -3.899 1.00 0.00 C ATOM 1480 C SER A 127 -22.027 30.203 -5.081 1.00 0.00 C ATOM 1481 O SER A 127 -21.392 29.152 -5.160 1.00 0.00 O ATOM 1482 CB SER A 127 -20.436 31.764 -3.946 1.00 0.00 C ATOM 1483 OG SER A 127 -20.245 32.680 -2.881 1.00 0.00 O ATOM 0 H SER A 127 -21.745 29.470 -2.645 1.00 0.00 H new ATOM 0 HA SER A 127 -22.577 31.943 -3.968 1.00 0.00 H new ATOM 0 HB2 SER A 127 -19.686 30.975 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 127 -20.292 32.274 -4.899 1.00 0.00 H new ATOM 0 HG SER A 127 -19.342 33.058 -2.933 1.00 0.00 H new ATOM 1489 N GLY A 128 -22.909 30.586 -6.000 1.00 0.00 N ATOM 1490 CA GLY A 128 -23.170 29.763 -7.166 1.00 0.00 C ATOM 1491 C GLY A 128 -24.497 29.036 -7.077 1.00 0.00 C ATOM 1492 O GLY A 128 -25.433 29.347 -7.813 1.00 0.00 O ATOM 0 H GLY A 128 -23.447 31.452 -5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -23.161 30.389 -8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -22.367 29.035 -7.280 1.00 0.00 H new TER 1496 GLY A 128