USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 907 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 38 SER OG : rot -121:sc= 1.8 USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= -0.691 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0604 (180deg=0) USER MOD Single : A 2 SER OG : rot 15:sc= 0.332 USER MOD Single : A 3 SER OG : rot 39:sc= 0.608 USER MOD Single : A 5 SER OG : rot 38:sc= 0.594 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= -1.52! (180deg=-3.42!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 32:sc= 0.393 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0571 X(o=-0.057,f=-0.053) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -130:sc= 0 (180deg=-0.0673) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 170:sc= -3.41 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.039 USER MOD Single : A 41 ASN : amide:sc= -0.891 K(o=-0.89,f=-3.2!) USER MOD Single : A 42 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.026) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.232 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.616 K(o=-0.62,f=-5.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -166:sc= 0.978 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -5.71! C(o=-5.7!,f=-7.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.4) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -3.91! C(o=-5.5!,f=-3.9!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0767 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -2.63 X(o=-2.6,f=-2.9) USER MOD Single : A 110 SER OG : rot 180:sc=-0.000872 USER MOD Single : A 113 SER OG : rot 25:sc= 0.508 USER MOD Single : A 114 SER OG : rot -60:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.532 -2.264 16.370 1.00 0.00 N ATOM 2 CA GLY A 1 -12.909 -1.113 16.998 1.00 0.00 C ATOM 3 C GLY A 1 -11.430 -1.323 17.253 1.00 0.00 C ATOM 4 O GLY A 1 -10.963 -2.458 17.343 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.473 -2.419 16.785 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.629 -2.092 15.349 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.942 -3.106 16.525 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.044 -0.238 16.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.411 -0.902 17.942 1.00 0.00 H new ATOM 8 N SER A 2 -10.690 -0.225 17.370 1.00 0.00 N ATOM 9 CA SER A 2 -9.253 -0.293 17.612 1.00 0.00 C ATOM 10 C SER A 2 -8.775 0.928 18.391 1.00 0.00 C ATOM 11 O SER A 2 -9.201 2.052 18.127 1.00 0.00 O ATOM 12 CB SER A 2 -8.496 -0.396 16.286 1.00 0.00 C ATOM 13 OG SER A 2 -8.539 -1.716 15.775 1.00 0.00 O ATOM 0 H SER A 2 -11.062 0.722 17.301 1.00 0.00 H new ATOM 0 HA SER A 2 -9.051 -1.183 18.207 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.931 0.292 15.561 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.459 -0.093 16.431 1.00 0.00 H new ATOM 0 HG SER A 2 -9.228 -2.228 16.248 1.00 0.00 H new ATOM 19 N SER A 3 -7.886 0.698 19.352 1.00 0.00 N ATOM 20 CA SER A 3 -7.351 1.778 20.173 1.00 0.00 C ATOM 21 C SER A 3 -5.830 1.696 20.254 1.00 0.00 C ATOM 22 O SER A 3 -5.278 0.992 21.099 1.00 0.00 O ATOM 23 CB SER A 3 -7.951 1.723 21.579 1.00 0.00 C ATOM 24 OG SER A 3 -7.724 0.461 22.182 1.00 0.00 O ATOM 0 H SER A 3 -7.521 -0.226 19.581 1.00 0.00 H new ATOM 0 HA SER A 3 -7.622 2.725 19.706 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.513 2.508 22.195 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.022 1.918 21.528 1.00 0.00 H new ATOM 0 HG SER A 3 -6.822 0.149 21.958 1.00 0.00 H new ATOM 30 N GLY A 4 -5.156 2.423 19.367 1.00 0.00 N ATOM 31 CA GLY A 4 -3.705 2.420 19.354 1.00 0.00 C ATOM 32 C GLY A 4 -3.138 2.022 18.006 1.00 0.00 C ATOM 33 O GLY A 4 -3.793 1.327 17.230 1.00 0.00 O ATOM 0 H GLY A 4 -5.590 3.014 18.657 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.340 3.412 19.619 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.339 1.732 20.116 1.00 0.00 H new ATOM 37 N SER A 5 -1.917 2.466 17.725 1.00 0.00 N ATOM 38 CA SER A 5 -1.264 2.157 16.458 1.00 0.00 C ATOM 39 C SER A 5 0.249 2.319 16.573 1.00 0.00 C ATOM 40 O SER A 5 0.759 3.434 16.678 1.00 0.00 O ATOM 41 CB SER A 5 -1.802 3.062 15.349 1.00 0.00 C ATOM 42 OG SER A 5 -1.634 4.430 15.680 1.00 0.00 O ATOM 0 H SER A 5 -1.360 3.041 18.357 1.00 0.00 H new ATOM 0 HA SER A 5 -1.483 1.119 16.208 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.284 2.845 14.415 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.859 2.852 15.184 1.00 0.00 H new ATOM 0 HG SER A 5 -0.779 4.552 16.143 1.00 0.00 H new ATOM 48 N SER A 6 0.961 1.196 16.553 1.00 0.00 N ATOM 49 CA SER A 6 2.415 1.212 16.659 1.00 0.00 C ATOM 50 C SER A 6 3.061 0.861 15.322 1.00 0.00 C ATOM 51 O SER A 6 3.031 -0.289 14.888 1.00 0.00 O ATOM 52 CB SER A 6 2.880 0.229 17.735 1.00 0.00 C ATOM 53 OG SER A 6 2.414 0.618 19.016 1.00 0.00 O ATOM 0 H SER A 6 0.554 0.265 16.464 1.00 0.00 H new ATOM 0 HA SER A 6 2.723 2.219 16.939 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.516 -0.771 17.500 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.969 0.179 17.740 1.00 0.00 H new ATOM 0 HG SER A 6 2.723 -0.027 19.686 1.00 0.00 H new ATOM 59 N GLY A 7 3.644 1.865 14.672 1.00 0.00 N ATOM 60 CA GLY A 7 4.289 1.644 13.391 1.00 0.00 C ATOM 61 C GLY A 7 3.367 1.926 12.222 1.00 0.00 C ATOM 62 O GLY A 7 2.377 1.222 12.018 1.00 0.00 O ATOM 0 H GLY A 7 3.681 2.827 15.010 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.170 2.281 13.317 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.636 0.612 13.336 1.00 0.00 H new ATOM 66 N LYS A 8 3.690 2.959 11.451 1.00 0.00 N ATOM 67 CA LYS A 8 2.883 3.334 10.296 1.00 0.00 C ATOM 68 C LYS A 8 3.686 3.199 9.006 1.00 0.00 C ATOM 69 O LYS A 8 3.227 3.592 7.933 1.00 0.00 O ATOM 70 CB LYS A 8 2.377 4.770 10.446 1.00 0.00 C ATOM 71 CG LYS A 8 1.809 5.074 11.821 1.00 0.00 C ATOM 72 CD LYS A 8 0.358 4.638 11.934 1.00 0.00 C ATOM 73 CE LYS A 8 -0.579 5.646 11.285 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.633 5.480 9.806 1.00 0.00 N ATOM 0 H LYS A 8 4.506 3.552 11.605 1.00 0.00 H new ATOM 0 HA LYS A 8 2.029 2.658 10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.197 5.458 10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.609 4.956 9.695 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.403 4.566 12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.885 6.143 12.019 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.232 3.665 11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.094 4.518 12.985 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.580 5.531 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.248 6.656 11.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.594 5.689 9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.041 6.133 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.384 4.501 9.557 1.00 0.00 H new ATOM 88 N VAL A 9 4.887 2.640 9.117 1.00 0.00 N ATOM 89 CA VAL A 9 5.752 2.450 7.958 1.00 0.00 C ATOM 90 C VAL A 9 6.512 1.132 8.050 1.00 0.00 C ATOM 91 O VAL A 9 6.539 0.489 9.100 1.00 0.00 O ATOM 92 CB VAL A 9 6.762 3.604 7.818 1.00 0.00 C ATOM 93 CG1 VAL A 9 6.050 4.947 7.864 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.824 3.517 8.904 1.00 0.00 C ATOM 0 H VAL A 9 5.283 2.311 9.997 1.00 0.00 H new ATOM 0 HA VAL A 9 5.107 2.433 7.080 1.00 0.00 H new ATOM 0 HB VAL A 9 7.256 3.515 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.781 5.750 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.331 5.006 7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.527 5.049 8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.529 4.340 8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.349 3.579 9.883 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.355 2.569 8.818 1.00 0.00 H new ATOM 104 N LYS A 10 7.129 0.733 6.943 1.00 0.00 N ATOM 105 CA LYS A 10 7.893 -0.508 6.897 1.00 0.00 C ATOM 106 C LYS A 10 8.836 -0.523 5.698 1.00 0.00 C ATOM 107 O LYS A 10 8.467 -0.103 4.601 1.00 0.00 O ATOM 108 CB LYS A 10 6.947 -1.710 6.830 1.00 0.00 C ATOM 109 CG LYS A 10 7.574 -3.005 7.317 1.00 0.00 C ATOM 110 CD LYS A 10 6.518 -4.042 7.658 1.00 0.00 C ATOM 111 CE LYS A 10 7.147 -5.362 8.076 1.00 0.00 C ATOM 112 NZ LYS A 10 7.564 -5.349 9.506 1.00 0.00 N ATOM 0 H LYS A 10 7.115 1.252 6.065 1.00 0.00 H new ATOM 0 HA LYS A 10 8.490 -0.572 7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.061 -1.498 7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.613 -1.842 5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.238 -3.400 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.187 -2.806 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.886 -3.668 8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.872 -4.203 6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.435 -6.171 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.013 -5.567 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.988 -6.266 9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.262 -4.593 9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.733 -5.179 10.108 1.00 0.00 H new ATOM 126 N SER A 11 10.053 -1.010 5.914 1.00 0.00 N ATOM 127 CA SER A 11 11.050 -1.077 4.852 1.00 0.00 C ATOM 128 C SER A 11 11.901 -2.336 4.984 1.00 0.00 C ATOM 129 O SER A 11 12.603 -2.523 5.977 1.00 0.00 O ATOM 130 CB SER A 11 11.945 0.163 4.884 1.00 0.00 C ATOM 131 OG SER A 11 12.630 0.265 6.120 1.00 0.00 O ATOM 0 H SER A 11 10.373 -1.364 6.815 1.00 0.00 H new ATOM 0 HA SER A 11 10.525 -1.113 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.666 0.116 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.341 1.056 4.725 1.00 0.00 H new ATOM 0 HG SER A 11 12.818 -0.633 6.465 1.00 0.00 H new ATOM 137 N GLY A 12 11.832 -3.199 3.975 1.00 0.00 N ATOM 138 CA GLY A 12 12.600 -4.430 3.997 1.00 0.00 C ATOM 139 C GLY A 12 12.794 -5.017 2.613 1.00 0.00 C ATOM 140 O GLY A 12 12.669 -4.314 1.610 1.00 0.00 O ATOM 0 H GLY A 12 11.258 -3.067 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.574 -4.239 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.094 -5.159 4.630 1.00 0.00 H new ATOM 144 N TRP A 13 13.102 -6.308 2.558 1.00 0.00 N ATOM 145 CA TRP A 13 13.316 -6.989 1.286 1.00 0.00 C ATOM 146 C TRP A 13 12.093 -7.813 0.897 1.00 0.00 C ATOM 147 O TRP A 13 11.820 -8.856 1.493 1.00 0.00 O ATOM 148 CB TRP A 13 14.549 -7.890 1.367 1.00 0.00 C ATOM 149 CG TRP A 13 15.820 -7.137 1.615 1.00 0.00 C ATOM 150 CD1 TRP A 13 16.482 -7.014 2.803 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.581 -6.401 0.651 1.00 0.00 C ATOM 152 NE1 TRP A 13 17.609 -6.245 2.636 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.693 -5.858 1.325 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.434 -6.149 -0.715 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.648 -5.079 0.677 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.382 -5.375 -1.357 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.478 -4.848 -0.661 1.00 0.00 C ATOM 0 H TRP A 13 13.209 -6.904 3.379 1.00 0.00 H new ATOM 0 HA TRP A 13 13.479 -6.231 0.520 1.00 0.00 H new ATOM 0 HB2 TRP A 13 14.406 -8.619 2.165 1.00 0.00 H new ATOM 0 HB3 TRP A 13 14.643 -8.450 0.437 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.166 -7.456 3.737 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.275 -6.002 3.370 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.594 -6.552 -1.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.493 -4.671 1.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 17.276 -5.173 -2.413 1.00 0.00 H new ATOM 0 HH2 TRP A 13 19.203 -4.248 -1.191 1.00 0.00 H new ATOM 168 N LEU A 14 11.360 -7.339 -0.104 1.00 0.00 N ATOM 169 CA LEU A 14 10.165 -8.033 -0.573 1.00 0.00 C ATOM 170 C LEU A 14 10.330 -8.485 -2.021 1.00 0.00 C ATOM 171 O LEU A 14 10.858 -7.749 -2.854 1.00 0.00 O ATOM 172 CB LEU A 14 8.941 -7.125 -0.446 1.00 0.00 C ATOM 173 CG LEU A 14 8.615 -6.631 0.964 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.590 -5.509 0.913 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.109 -7.778 1.827 1.00 0.00 C ATOM 0 H LEU A 14 11.572 -6.477 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 14 10.020 -8.916 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.089 -6.257 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.074 -7.662 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 14 9.529 -6.241 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.371 -5.170 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.989 -4.678 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.675 -5.873 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.882 -7.408 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.207 -8.198 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.875 -8.551 1.891 1.00 0.00 H new ATOM 187 N ASP A 15 9.873 -9.697 -2.312 1.00 0.00 N ATOM 188 CA ASP A 15 9.967 -10.246 -3.660 1.00 0.00 C ATOM 189 C ASP A 15 8.758 -9.839 -4.498 1.00 0.00 C ATOM 190 O ASP A 15 7.616 -10.135 -4.145 1.00 0.00 O ATOM 191 CB ASP A 15 10.076 -11.771 -3.607 1.00 0.00 C ATOM 192 CG ASP A 15 11.396 -12.236 -3.024 1.00 0.00 C ATOM 193 OD1 ASP A 15 11.538 -12.213 -1.784 1.00 0.00 O ATOM 194 OD2 ASP A 15 12.286 -12.625 -3.809 1.00 0.00 O ATOM 0 H ASP A 15 9.434 -10.319 -1.633 1.00 0.00 H new ATOM 0 HA ASP A 15 10.864 -9.842 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.257 -12.171 -3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.963 -12.176 -4.613 1.00 0.00 H new ATOM 199 N LYS A 16 9.017 -9.157 -5.608 1.00 0.00 N ATOM 200 CA LYS A 16 7.951 -8.709 -6.497 1.00 0.00 C ATOM 201 C LYS A 16 7.600 -9.791 -7.514 1.00 0.00 C ATOM 202 O LYS A 16 8.421 -10.158 -8.354 1.00 0.00 O ATOM 203 CB LYS A 16 8.370 -7.429 -7.224 1.00 0.00 C ATOM 204 CG LYS A 16 7.321 -6.907 -8.189 1.00 0.00 C ATOM 205 CD LYS A 16 6.122 -6.332 -7.453 1.00 0.00 C ATOM 206 CE LYS A 16 4.995 -5.980 -8.412 1.00 0.00 C ATOM 207 NZ LYS A 16 5.339 -4.811 -9.268 1.00 0.00 N ATOM 0 H LYS A 16 9.956 -8.902 -5.914 1.00 0.00 H new ATOM 0 HA LYS A 16 7.069 -8.504 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.589 -6.657 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.293 -7.618 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.761 -6.139 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.994 -7.715 -8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.764 -7.054 -6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.425 -5.441 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.774 -6.840 -9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.091 -5.761 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.545 -4.603 -9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.525 -3.983 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.187 -5.029 -9.829 1.00 0.00 H new ATOM 221 N LEU A 17 6.374 -10.296 -7.432 1.00 0.00 N ATOM 222 CA LEU A 17 5.912 -11.335 -8.346 1.00 0.00 C ATOM 223 C LEU A 17 5.939 -10.842 -9.789 1.00 0.00 C ATOM 224 O LEU A 17 4.897 -10.540 -10.372 1.00 0.00 O ATOM 225 CB LEU A 17 4.497 -11.779 -7.973 1.00 0.00 C ATOM 226 CG LEU A 17 4.026 -13.101 -8.580 1.00 0.00 C ATOM 227 CD1 LEU A 17 2.908 -13.704 -7.743 1.00 0.00 C ATOM 228 CD2 LEU A 17 3.568 -12.895 -10.016 1.00 0.00 C ATOM 0 H LEU A 17 5.682 -10.003 -6.742 1.00 0.00 H new ATOM 0 HA LEU A 17 6.587 -12.186 -8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.437 -11.859 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.801 -10.996 -8.274 1.00 0.00 H new ATOM 0 HG LEU A 17 4.865 -13.797 -8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.585 -14.644 -8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.270 -13.888 -6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.067 -13.012 -7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.236 -13.846 -10.432 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.743 -12.183 -10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.396 -12.508 -10.610 1.00 0.00 H new ATOM 240 N SER A 18 7.136 -10.765 -10.361 1.00 0.00 N ATOM 241 CA SER A 18 7.299 -10.307 -11.736 1.00 0.00 C ATOM 242 C SER A 18 7.121 -11.461 -12.718 1.00 0.00 C ATOM 243 O SER A 18 6.154 -11.521 -13.477 1.00 0.00 O ATOM 244 CB SER A 18 8.677 -9.670 -11.924 1.00 0.00 C ATOM 245 OG SER A 18 8.610 -8.261 -11.790 1.00 0.00 O ATOM 0 H SER A 18 8.008 -11.014 -9.894 1.00 0.00 H new ATOM 0 HA SER A 18 6.531 -9.560 -11.937 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.372 -10.076 -11.189 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.069 -9.927 -12.908 1.00 0.00 H new ATOM 0 HG SER A 18 9.504 -7.878 -11.913 1.00 0.00 H new ATOM 251 N PRO A 19 8.077 -12.402 -12.703 1.00 0.00 N ATOM 252 CA PRO A 19 8.049 -13.572 -13.585 1.00 0.00 C ATOM 253 C PRO A 19 6.942 -14.553 -13.213 1.00 0.00 C ATOM 254 O PRO A 19 6.076 -14.243 -12.395 1.00 0.00 O ATOM 255 CB PRO A 19 9.424 -14.211 -13.370 1.00 0.00 C ATOM 256 CG PRO A 19 9.837 -13.771 -12.008 1.00 0.00 C ATOM 257 CD PRO A 19 9.258 -12.395 -11.824 1.00 0.00 C ATOM 0 HA PRO A 19 7.848 -13.297 -14.620 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.370 -15.298 -13.436 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.137 -13.881 -14.126 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.464 -14.456 -11.247 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.923 -13.753 -11.916 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.985 -12.210 -10.785 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.968 -11.619 -12.110 1.00 0.00 H new ATOM 265 N GLN A 20 6.978 -15.736 -13.817 1.00 0.00 N ATOM 266 CA GLN A 20 5.976 -16.761 -13.548 1.00 0.00 C ATOM 267 C GLN A 20 6.635 -18.059 -13.094 1.00 0.00 C ATOM 268 O GLN A 20 7.210 -18.791 -13.899 1.00 0.00 O ATOM 269 CB GLN A 20 5.128 -17.015 -14.796 1.00 0.00 C ATOM 270 CG GLN A 20 3.764 -17.613 -14.492 1.00 0.00 C ATOM 271 CD GLN A 20 2.818 -16.614 -13.855 1.00 0.00 C ATOM 272 OE1 GLN A 20 2.239 -15.768 -14.536 1.00 0.00 O ATOM 273 NE2 GLN A 20 2.657 -16.708 -12.540 1.00 0.00 N ATOM 0 H GLN A 20 7.689 -16.009 -14.495 1.00 0.00 H new ATOM 0 HA GLN A 20 5.331 -16.402 -12.746 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.993 -16.075 -15.331 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.669 -17.686 -15.463 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.322 -17.989 -15.415 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.886 -18.467 -13.826 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.157 -17.425 -12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.033 -16.063 -12.055 1.00 0.00 H new ATOM 282 N GLY A 21 6.547 -18.339 -11.797 1.00 0.00 N ATOM 283 CA GLY A 21 7.140 -19.549 -11.257 1.00 0.00 C ATOM 284 C GLY A 21 7.177 -19.550 -9.742 1.00 0.00 C ATOM 285 O GLY A 21 6.912 -18.530 -9.105 1.00 0.00 O ATOM 0 H GLY A 21 6.076 -17.750 -11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.574 -20.413 -11.604 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.154 -19.656 -11.642 1.00 0.00 H new ATOM 289 N LYS A 22 7.506 -20.699 -9.161 1.00 0.00 N ATOM 290 CA LYS A 22 7.577 -20.831 -7.710 1.00 0.00 C ATOM 291 C LYS A 22 9.003 -20.613 -7.214 1.00 0.00 C ATOM 292 O LYS A 22 9.653 -21.544 -6.738 1.00 0.00 O ATOM 293 CB LYS A 22 7.080 -22.212 -7.278 1.00 0.00 C ATOM 294 CG LYS A 22 5.572 -22.371 -7.367 1.00 0.00 C ATOM 295 CD LYS A 22 5.104 -23.639 -6.674 1.00 0.00 C ATOM 296 CE LYS A 22 3.808 -24.158 -7.277 1.00 0.00 C ATOM 297 NZ LYS A 22 3.659 -25.628 -7.093 1.00 0.00 N ATOM 0 H LYS A 22 7.728 -21.553 -9.673 1.00 0.00 H new ATOM 0 HA LYS A 22 6.937 -20.068 -7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.554 -22.971 -7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.397 -22.398 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.087 -21.507 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.269 -22.394 -8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.876 -24.405 -6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.959 -23.442 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.963 -23.647 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.782 -23.921 -8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.763 -25.942 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.452 -26.118 -7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.658 -25.852 -6.078 1.00 0.00 H new ATOM 311 N ARG A 23 9.482 -19.379 -7.326 1.00 0.00 N ATOM 312 CA ARG A 23 10.831 -19.040 -6.888 1.00 0.00 C ATOM 313 C ARG A 23 10.938 -17.554 -6.558 1.00 0.00 C ATOM 314 O ARG A 23 9.992 -16.793 -6.762 1.00 0.00 O ATOM 315 CB ARG A 23 11.849 -19.408 -7.969 1.00 0.00 C ATOM 316 CG ARG A 23 12.294 -20.860 -7.917 1.00 0.00 C ATOM 317 CD ARG A 23 13.294 -21.176 -9.019 1.00 0.00 C ATOM 318 NE ARG A 23 14.210 -22.246 -8.636 1.00 0.00 N ATOM 319 CZ ARG A 23 15.238 -22.636 -9.382 1.00 0.00 C ATOM 320 NH1 ARG A 23 15.480 -22.044 -10.544 1.00 0.00 N ATOM 321 NH2 ARG A 23 16.027 -23.618 -8.966 1.00 0.00 N ATOM 0 H ARG A 23 8.956 -18.597 -7.716 1.00 0.00 H new ATOM 0 HA ARG A 23 11.047 -19.612 -5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.416 -19.204 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.723 -18.765 -7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.743 -21.070 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.426 -21.512 -8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.758 -21.464 -9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.865 -20.279 -9.259 1.00 0.00 H new ATOM 0 HE ARG A 23 14.052 -22.720 -7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.876 -21.288 -10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.270 -22.345 -11.115 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.845 -24.075 -8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.816 -23.916 -9.540 1.00 0.00 H new ATOM 335 N MET A 24 12.095 -17.149 -6.046 1.00 0.00 N ATOM 336 CA MET A 24 12.326 -15.754 -5.688 1.00 0.00 C ATOM 337 C MET A 24 11.983 -14.830 -6.852 1.00 0.00 C ATOM 338 O MET A 24 12.851 -14.467 -7.646 1.00 0.00 O ATOM 339 CB MET A 24 13.783 -15.546 -5.270 1.00 0.00 C ATOM 340 CG MET A 24 14.070 -15.967 -3.838 1.00 0.00 C ATOM 341 SD MET A 24 14.046 -17.757 -3.622 1.00 0.00 S ATOM 342 CE MET A 24 15.633 -18.204 -4.321 1.00 0.00 C ATOM 0 H MET A 24 12.887 -17.767 -5.870 1.00 0.00 H new ATOM 0 HA MET A 24 11.676 -15.509 -4.848 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.429 -16.110 -5.942 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.040 -14.493 -5.389 1.00 0.00 H new ATOM 0 HG2 MET A 24 15.045 -15.582 -3.539 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.332 -15.515 -3.176 1.00 0.00 H new ATOM 0 HE1 MET A 24 15.499 -19.012 -5.041 1.00 0.00 H new ATOM 0 HE2 MET A 24 16.066 -17.339 -4.823 1.00 0.00 H new ATOM 0 HE3 MET A 24 16.301 -18.534 -3.525 1.00 0.00 H new ATOM 352 N PHE A 25 10.712 -14.454 -6.949 1.00 0.00 N ATOM 353 CA PHE A 25 10.254 -13.574 -8.017 1.00 0.00 C ATOM 354 C PHE A 25 11.317 -12.534 -8.358 1.00 0.00 C ATOM 355 O PHE A 25 11.969 -12.617 -9.398 1.00 0.00 O ATOM 356 CB PHE A 25 8.954 -12.876 -7.610 1.00 0.00 C ATOM 357 CG PHE A 25 7.898 -13.820 -7.109 1.00 0.00 C ATOM 358 CD1 PHE A 25 7.806 -15.107 -7.613 1.00 0.00 C ATOM 359 CD2 PHE A 25 6.999 -13.420 -6.134 1.00 0.00 C ATOM 360 CE1 PHE A 25 6.835 -15.977 -7.155 1.00 0.00 C ATOM 361 CE2 PHE A 25 6.026 -14.286 -5.671 1.00 0.00 C ATOM 362 CZ PHE A 25 5.945 -15.567 -6.182 1.00 0.00 C ATOM 0 H PHE A 25 9.981 -14.745 -6.300 1.00 0.00 H new ATOM 0 HA PHE A 25 10.070 -14.183 -8.902 1.00 0.00 H new ATOM 0 HB2 PHE A 25 9.172 -12.143 -6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.562 -12.327 -8.466 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.501 -15.434 -8.372 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.059 -12.420 -5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.772 -16.977 -7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.330 -13.962 -4.911 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.187 -16.246 -5.821 1.00 0.00 H new ATOM 372 N GLN A 26 11.485 -11.555 -7.474 1.00 0.00 N ATOM 373 CA GLN A 26 12.467 -10.499 -7.682 1.00 0.00 C ATOM 374 C GLN A 26 12.724 -9.731 -6.389 1.00 0.00 C ATOM 375 O GLN A 26 11.852 -9.015 -5.896 1.00 0.00 O ATOM 376 CB GLN A 26 11.991 -9.538 -8.773 1.00 0.00 C ATOM 377 CG GLN A 26 13.092 -8.641 -9.316 1.00 0.00 C ATOM 378 CD GLN A 26 13.857 -9.281 -10.458 1.00 0.00 C ATOM 379 OE1 GLN A 26 14.398 -10.378 -10.320 1.00 0.00 O ATOM 380 NE2 GLN A 26 13.905 -8.598 -11.596 1.00 0.00 N ATOM 0 H GLN A 26 10.953 -11.472 -6.607 1.00 0.00 H new ATOM 0 HA GLN A 26 13.401 -10.964 -7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.566 -10.115 -9.594 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.191 -8.915 -8.373 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.655 -7.702 -9.657 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.785 -8.396 -8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.442 -7.692 -11.667 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.405 -8.980 -12.399 1.00 0.00 H new ATOM 389 N LYS A 27 13.925 -9.886 -5.843 1.00 0.00 N ATOM 390 CA LYS A 27 14.298 -9.208 -4.608 1.00 0.00 C ATOM 391 C LYS A 27 14.557 -7.726 -4.858 1.00 0.00 C ATOM 392 O LYS A 27 15.448 -7.363 -5.626 1.00 0.00 O ATOM 393 CB LYS A 27 15.542 -9.859 -4.000 1.00 0.00 C ATOM 394 CG LYS A 27 15.872 -9.356 -2.605 1.00 0.00 C ATOM 395 CD LYS A 27 17.322 -9.629 -2.242 1.00 0.00 C ATOM 396 CE LYS A 27 17.524 -9.653 -0.735 1.00 0.00 C ATOM 397 NZ LYS A 27 17.251 -11.000 -0.160 1.00 0.00 N ATOM 0 H LYS A 27 14.658 -10.476 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 27 13.468 -9.301 -3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.395 -10.938 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.394 -9.676 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.677 -8.285 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.217 -9.838 -1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.631 -10.584 -2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.959 -8.863 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.547 -9.359 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.867 -8.919 -0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.400 -10.975 0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.267 -11.270 -0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.895 -11.696 -0.586 1.00 0.00 H new ATOM 411 N ARG A 28 13.774 -6.874 -4.203 1.00 0.00 N ATOM 412 CA ARG A 28 13.920 -5.431 -4.355 1.00 0.00 C ATOM 413 C ARG A 28 13.504 -4.706 -3.079 1.00 0.00 C ATOM 414 O ARG A 28 12.466 -5.009 -2.491 1.00 0.00 O ATOM 415 CB ARG A 28 13.081 -4.934 -5.534 1.00 0.00 C ATOM 416 CG ARG A 28 13.608 -5.380 -6.888 1.00 0.00 C ATOM 417 CD ARG A 28 14.893 -4.654 -7.253 1.00 0.00 C ATOM 418 NE ARG A 28 15.162 -4.705 -8.687 1.00 0.00 N ATOM 419 CZ ARG A 28 14.542 -3.940 -9.579 1.00 0.00 C ATOM 420 NH1 ARG A 28 13.624 -3.068 -9.185 1.00 0.00 N ATOM 421 NH2 ARG A 28 14.842 -4.044 -10.867 1.00 0.00 N ATOM 0 H ARG A 28 13.033 -7.158 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 28 14.971 -5.215 -4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.058 -5.291 -5.417 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.044 -3.845 -5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.788 -6.455 -6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.854 -5.193 -7.653 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.825 -3.614 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.727 -5.100 -6.712 1.00 0.00 H new ATOM 0 HE ARG A 28 15.864 -5.364 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.392 -2.983 -8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.149 -2.482 -9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.549 -4.712 -11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.365 -3.456 -11.551 1.00 0.00 H new ATOM 435 N TRP A 29 14.321 -3.748 -2.656 1.00 0.00 N ATOM 436 CA TRP A 29 14.038 -2.980 -1.449 1.00 0.00 C ATOM 437 C TRP A 29 12.740 -2.194 -1.596 1.00 0.00 C ATOM 438 O TRP A 29 12.554 -1.460 -2.567 1.00 0.00 O ATOM 439 CB TRP A 29 15.195 -2.027 -1.143 1.00 0.00 C ATOM 440 CG TRP A 29 15.029 -1.287 0.150 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.461 -0.058 0.323 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.438 -1.730 1.449 1.00 0.00 C ATOM 443 NE1 TRP A 29 14.492 0.291 1.652 1.00 0.00 N ATOM 444 CE2 TRP A 29 15.086 -0.718 2.363 1.00 0.00 C ATOM 445 CE3 TRP A 29 16.066 -2.882 1.928 1.00 0.00 C ATOM 446 CZ2 TRP A 29 15.342 -0.826 3.727 1.00 0.00 C ATOM 447 CZ3 TRP A 29 16.320 -2.988 3.282 1.00 0.00 C ATOM 448 CH2 TRP A 29 15.957 -1.966 4.169 1.00 0.00 C ATOM 0 H TRP A 29 15.184 -3.485 -3.131 1.00 0.00 H new ATOM 0 HA TRP A 29 13.925 -3.680 -0.621 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.125 -2.594 -1.112 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.288 -1.307 -1.956 1.00 0.00 H new ATOM 0 HD1 TRP A 29 14.048 0.551 -0.468 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.131 1.160 2.045 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.348 -3.676 1.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.065 -0.038 4.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 16.807 -3.874 3.663 1.00 0.00 H new ATOM 0 HH2 TRP A 29 16.167 -2.080 5.222 1.00 0.00 H new ATOM 459 N VAL A 30 11.845 -2.350 -0.626 1.00 0.00 N ATOM 460 CA VAL A 30 10.565 -1.653 -0.647 1.00 0.00 C ATOM 461 C VAL A 30 10.396 -0.776 0.588 1.00 0.00 C ATOM 462 O VAL A 30 10.894 -1.100 1.667 1.00 0.00 O ATOM 463 CB VAL A 30 9.388 -2.644 -0.724 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.061 -1.903 -0.656 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.477 -3.478 -1.993 1.00 0.00 C ATOM 0 H VAL A 30 11.983 -2.953 0.185 1.00 0.00 H new ATOM 0 HA VAL A 30 10.561 -1.025 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 30 9.445 -3.317 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.241 -2.619 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.999 -1.353 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.991 -1.205 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.638 -4.173 -2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.445 -2.822 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.412 -4.038 -1.995 1.00 0.00 H new ATOM 475 N LYS A 31 9.691 0.338 0.424 1.00 0.00 N ATOM 476 CA LYS A 31 9.453 1.263 1.526 1.00 0.00 C ATOM 477 C LYS A 31 8.047 1.849 1.451 1.00 0.00 C ATOM 478 O LYS A 31 7.480 1.992 0.368 1.00 0.00 O ATOM 479 CB LYS A 31 10.488 2.390 1.504 1.00 0.00 C ATOM 480 CG LYS A 31 10.514 3.217 2.778 1.00 0.00 C ATOM 481 CD LYS A 31 11.091 4.601 2.533 1.00 0.00 C ATOM 482 CE LYS A 31 10.511 5.626 3.496 1.00 0.00 C ATOM 483 NZ LYS A 31 10.527 6.999 2.921 1.00 0.00 N ATOM 0 H LYS A 31 9.274 0.623 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 31 9.547 0.709 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.476 1.961 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.280 3.046 0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.503 3.308 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.107 2.703 3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.175 4.569 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.884 4.906 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.487 5.349 3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.081 5.615 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.124 7.668 3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.507 7.273 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.962 7.016 2.048 1.00 0.00 H new ATOM 497 N PHE A 32 7.489 2.187 2.609 1.00 0.00 N ATOM 498 CA PHE A 32 6.149 2.757 2.675 1.00 0.00 C ATOM 499 C PHE A 32 6.106 3.934 3.646 1.00 0.00 C ATOM 500 O PHE A 32 6.424 3.790 4.826 1.00 0.00 O ATOM 501 CB PHE A 32 5.138 1.691 3.103 1.00 0.00 C ATOM 502 CG PHE A 32 3.723 2.193 3.154 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.194 2.921 2.101 1.00 0.00 C ATOM 504 CD2 PHE A 32 2.923 1.937 4.256 1.00 0.00 C ATOM 505 CE1 PHE A 32 1.892 3.384 2.146 1.00 0.00 C ATOM 506 CE2 PHE A 32 1.621 2.398 4.307 1.00 0.00 C ATOM 507 CZ PHE A 32 1.105 3.121 3.250 1.00 0.00 C ATOM 0 H PHE A 32 7.945 2.076 3.515 1.00 0.00 H new ATOM 0 HA PHE A 32 5.886 3.118 1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.192 0.851 2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.416 1.312 4.086 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.805 3.129 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.321 1.371 5.085 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.491 3.951 1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.008 2.193 5.172 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.087 3.480 3.286 1.00 0.00 H new ATOM 517 N ASP A 33 5.710 5.096 3.139 1.00 0.00 N ATOM 518 CA ASP A 33 5.624 6.298 3.960 1.00 0.00 C ATOM 519 C ASP A 33 4.178 6.766 4.090 1.00 0.00 C ATOM 520 O ASP A 33 3.911 7.868 4.567 1.00 0.00 O ATOM 521 CB ASP A 33 6.482 7.414 3.361 1.00 0.00 C ATOM 522 CG ASP A 33 6.511 8.654 4.232 1.00 0.00 C ATOM 523 OD1 ASP A 33 6.674 8.511 5.462 1.00 0.00 O ATOM 524 OD2 ASP A 33 6.370 9.768 3.685 1.00 0.00 O ATOM 0 H ASP A 33 5.444 5.231 2.164 1.00 0.00 H new ATOM 0 HA ASP A 33 5.999 6.056 4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.499 7.049 3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.097 7.675 2.375 1.00 0.00 H new ATOM 529 N GLY A 34 3.247 5.919 3.661 1.00 0.00 N ATOM 530 CA GLY A 34 1.839 6.264 3.736 1.00 0.00 C ATOM 531 C GLY A 34 1.301 6.796 2.423 1.00 0.00 C ATOM 532 O GLY A 34 0.217 6.409 1.984 1.00 0.00 O ATOM 0 H GLY A 34 3.443 5.000 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.268 5.383 4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.693 7.012 4.515 1.00 0.00 H new ATOM 536 N LEU A 35 2.058 7.688 1.793 1.00 0.00 N ATOM 537 CA LEU A 35 1.651 8.276 0.522 1.00 0.00 C ATOM 538 C LEU A 35 1.697 7.241 -0.597 1.00 0.00 C ATOM 539 O LEU A 35 0.701 7.009 -1.283 1.00 0.00 O ATOM 540 CB LEU A 35 2.554 9.461 0.173 1.00 0.00 C ATOM 541 CG LEU A 35 2.505 10.648 1.135 1.00 0.00 C ATOM 542 CD1 LEU A 35 3.775 11.478 1.024 1.00 0.00 C ATOM 543 CD2 LEU A 35 1.279 11.507 0.861 1.00 0.00 C ATOM 0 H LEU A 35 2.957 8.020 2.142 1.00 0.00 H new ATOM 0 HA LEU A 35 0.624 8.627 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.583 9.105 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.287 9.815 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 35 2.434 10.263 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.722 12.318 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.637 10.859 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.877 11.853 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.261 12.347 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.319 11.882 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.378 10.908 0.993 1.00 0.00 H new ATOM 555 N SER A 36 2.858 6.619 -0.774 1.00 0.00 N ATOM 556 CA SER A 36 3.034 5.609 -1.810 1.00 0.00 C ATOM 557 C SER A 36 4.133 4.622 -1.427 1.00 0.00 C ATOM 558 O SER A 36 4.834 4.814 -0.433 1.00 0.00 O ATOM 559 CB SER A 36 3.372 6.272 -3.147 1.00 0.00 C ATOM 560 OG SER A 36 3.287 5.343 -4.213 1.00 0.00 O ATOM 0 H SER A 36 3.691 6.797 -0.213 1.00 0.00 H new ATOM 0 HA SER A 36 2.097 5.061 -1.911 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.688 7.102 -3.328 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.377 6.691 -3.105 1.00 0.00 H new ATOM 0 HG SER A 36 3.348 5.819 -5.067 1.00 0.00 H new ATOM 566 N ILE A 37 4.277 3.568 -2.222 1.00 0.00 N ATOM 567 CA ILE A 37 5.290 2.552 -1.967 1.00 0.00 C ATOM 568 C ILE A 37 6.340 2.533 -3.073 1.00 0.00 C ATOM 569 O ILE A 37 6.094 2.024 -4.167 1.00 0.00 O ATOM 570 CB ILE A 37 4.664 1.150 -1.844 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.636 1.124 -0.711 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.745 0.106 -1.610 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.650 -0.018 -0.817 1.00 0.00 C ATOM 0 H ILE A 37 3.705 3.395 -3.049 1.00 0.00 H new ATOM 0 HA ILE A 37 5.766 2.812 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 37 4.154 0.913 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.160 1.054 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.089 2.067 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.287 -0.879 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.443 0.111 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.281 0.337 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.951 0.026 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.100 0.062 -1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.187 -0.966 -0.791 1.00 0.00 H new ATOM 585 N SER A 38 7.511 3.088 -2.780 1.00 0.00 N ATOM 586 CA SER A 38 8.599 3.137 -3.750 1.00 0.00 C ATOM 587 C SER A 38 9.681 2.119 -3.404 1.00 0.00 C ATOM 588 O SER A 38 10.144 2.051 -2.266 1.00 0.00 O ATOM 589 CB SER A 38 9.202 4.542 -3.801 1.00 0.00 C ATOM 590 OG SER A 38 9.769 4.807 -5.073 1.00 0.00 O ATOM 0 H SER A 38 7.731 3.510 -1.878 1.00 0.00 H new ATOM 0 HA SER A 38 8.191 2.889 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.431 5.280 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.967 4.641 -3.030 1.00 0.00 H new ATOM 0 HG SER A 38 10.722 5.012 -4.970 1.00 0.00 H new ATOM 596 N TYR A 39 10.079 1.329 -4.396 1.00 0.00 N ATOM 597 CA TYR A 39 11.105 0.312 -4.197 1.00 0.00 C ATOM 598 C TYR A 39 12.330 0.599 -5.061 1.00 0.00 C ATOM 599 O TYR A 39 12.209 0.908 -6.246 1.00 0.00 O ATOM 600 CB TYR A 39 10.549 -1.074 -4.526 1.00 0.00 C ATOM 601 CG TYR A 39 9.729 -1.112 -5.796 1.00 0.00 C ATOM 602 CD1 TYR A 39 8.454 -0.560 -5.840 1.00 0.00 C ATOM 603 CD2 TYR A 39 10.228 -1.701 -6.951 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.701 -0.593 -6.998 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.482 -1.737 -8.114 1.00 0.00 C ATOM 606 CZ TYR A 39 8.220 -1.182 -8.132 1.00 0.00 C ATOM 607 OH TYR A 39 7.473 -1.217 -9.288 1.00 0.00 O ATOM 0 H TYR A 39 9.707 1.373 -5.345 1.00 0.00 H new ATOM 0 HA TYR A 39 11.407 0.336 -3.150 1.00 0.00 H new ATOM 0 HB2 TYR A 39 11.378 -1.776 -4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.932 -1.415 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.045 -0.097 -4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.216 -2.138 -6.940 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.712 -0.160 -7.015 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.885 -2.197 -9.004 1.00 0.00 H new ATOM 0 HH TYR A 39 7.984 -1.666 -9.994 1.00 0.00 H new ATOM 617 N TYR A 40 13.508 0.493 -4.457 1.00 0.00 N ATOM 618 CA TYR A 40 14.756 0.742 -5.168 1.00 0.00 C ATOM 619 C TYR A 40 15.725 -0.423 -4.993 1.00 0.00 C ATOM 620 O TYR A 40 15.458 -1.360 -4.241 1.00 0.00 O ATOM 621 CB TYR A 40 15.402 2.036 -4.670 1.00 0.00 C ATOM 622 CG TYR A 40 14.404 3.124 -4.343 1.00 0.00 C ATOM 623 CD1 TYR A 40 13.834 3.895 -5.348 1.00 0.00 C ATOM 624 CD2 TYR A 40 14.032 3.380 -3.029 1.00 0.00 C ATOM 625 CE1 TYR A 40 12.922 4.891 -5.054 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.120 4.373 -2.726 1.00 0.00 C ATOM 627 CZ TYR A 40 12.568 5.125 -3.742 1.00 0.00 C ATOM 628 OH TYR A 40 11.661 6.116 -3.444 1.00 0.00 O ATOM 0 H TYR A 40 13.625 0.236 -3.477 1.00 0.00 H new ATOM 0 HA TYR A 40 14.526 0.843 -6.229 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.994 1.818 -3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.092 2.404 -5.430 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.108 3.713 -6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.463 2.793 -2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.489 5.483 -5.847 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.841 4.559 -1.699 1.00 0.00 H new ATOM 0 HH TYR A 40 11.520 6.150 -2.475 1.00 0.00 H new ATOM 638 N ASN A 41 16.853 -0.357 -5.693 1.00 0.00 N ATOM 639 CA ASN A 41 17.864 -1.406 -5.615 1.00 0.00 C ATOM 640 C ASN A 41 19.118 -0.902 -4.909 1.00 0.00 C ATOM 641 O ASN A 41 19.569 0.218 -5.148 1.00 0.00 O ATOM 642 CB ASN A 41 18.219 -1.905 -7.017 1.00 0.00 C ATOM 643 CG ASN A 41 19.409 -2.846 -7.012 1.00 0.00 C ATOM 644 OD1 ASN A 41 20.404 -2.610 -7.696 1.00 0.00 O ATOM 645 ND2 ASN A 41 19.310 -3.920 -6.237 1.00 0.00 N ATOM 0 H ASN A 41 17.090 0.411 -6.320 1.00 0.00 H new ATOM 0 HA ASN A 41 17.451 -2.232 -5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 41 17.357 -2.416 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.437 -1.052 -7.659 1.00 0.00 H new ATOM 0 HD21 ASN A 41 20.078 -4.589 -6.192 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.466 -4.076 -5.687 1.00 0.00 H new ATOM 652 N ASN A 42 19.678 -1.737 -4.040 1.00 0.00 N ATOM 653 CA ASN A 42 20.881 -1.376 -3.299 1.00 0.00 C ATOM 654 C ASN A 42 21.965 -0.858 -4.240 1.00 0.00 C ATOM 655 O ASN A 42 22.384 0.295 -4.145 1.00 0.00 O ATOM 656 CB ASN A 42 21.403 -2.581 -2.515 1.00 0.00 C ATOM 657 CG ASN A 42 22.189 -2.174 -1.283 1.00 0.00 C ATOM 658 OD1 ASN A 42 23.341 -2.572 -1.109 1.00 0.00 O ATOM 659 ND2 ASN A 42 21.567 -1.377 -0.422 1.00 0.00 N ATOM 0 H ASN A 42 19.318 -2.668 -3.832 1.00 0.00 H new ATOM 0 HA ASN A 42 20.622 -0.581 -2.600 1.00 0.00 H new ATOM 0 HB2 ASN A 42 20.563 -3.208 -2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 42 22.037 -3.186 -3.163 1.00 0.00 H new ATOM 0 HD21 ASN A 42 22.045 -1.070 0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 42 20.612 -1.072 -0.608 1.00 0.00 H new ATOM 666 N GLU A 43 22.413 -1.720 -5.148 1.00 0.00 N ATOM 667 CA GLU A 43 23.448 -1.349 -6.106 1.00 0.00 C ATOM 668 C GLU A 43 23.105 -0.032 -6.795 1.00 0.00 C ATOM 669 O GLU A 43 21.935 0.273 -7.030 1.00 0.00 O ATOM 670 CB GLU A 43 23.626 -2.453 -7.150 1.00 0.00 C ATOM 671 CG GLU A 43 24.350 -3.680 -6.622 1.00 0.00 C ATOM 672 CD GLU A 43 24.371 -4.821 -7.621 1.00 0.00 C ATOM 673 OE1 GLU A 43 23.281 -5.276 -8.026 1.00 0.00 O ATOM 674 OE2 GLU A 43 25.478 -5.257 -7.999 1.00 0.00 O ATOM 0 H GLU A 43 22.076 -2.678 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 43 24.383 -1.220 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 43 22.646 -2.752 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 43 24.180 -2.052 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 43 25.374 -3.410 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 43 23.867 -4.015 -5.704 1.00 0.00 H new ATOM 681 N LYS A 44 24.133 0.746 -7.117 1.00 0.00 N ATOM 682 CA LYS A 44 23.942 2.031 -7.780 1.00 0.00 C ATOM 683 C LYS A 44 22.763 1.975 -8.746 1.00 0.00 C ATOM 684 O LYS A 44 22.501 0.941 -9.360 1.00 0.00 O ATOM 685 CB LYS A 44 25.213 2.433 -8.532 1.00 0.00 C ATOM 686 CG LYS A 44 25.233 3.891 -8.957 1.00 0.00 C ATOM 687 CD LYS A 44 26.627 4.333 -9.368 1.00 0.00 C ATOM 688 CE LYS A 44 26.804 5.836 -9.213 1.00 0.00 C ATOM 689 NZ LYS A 44 28.240 6.230 -9.219 1.00 0.00 N ATOM 0 H LYS A 44 25.107 0.509 -6.930 1.00 0.00 H new ATOM 0 HA LYS A 44 23.727 2.778 -7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.078 2.236 -7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 44 25.316 1.804 -9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 44 24.544 4.038 -9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 44 24.880 4.515 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.368 3.814 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 44 26.809 4.049 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 44 26.284 6.348 -10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 44 26.342 6.162 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 28.317 7.261 -9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.732 5.762 -8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 28.675 5.942 -10.119 1.00 0.00 H new ATOM 703 N GLU A 45 22.058 3.094 -8.876 1.00 0.00 N ATOM 704 CA GLU A 45 20.907 3.171 -9.769 1.00 0.00 C ATOM 705 C GLU A 45 20.770 4.571 -10.360 1.00 0.00 C ATOM 706 O GLU A 45 21.262 5.546 -9.794 1.00 0.00 O ATOM 707 CB GLU A 45 19.627 2.794 -9.021 1.00 0.00 C ATOM 708 CG GLU A 45 19.303 1.310 -9.078 1.00 0.00 C ATOM 709 CD GLU A 45 19.229 0.783 -10.498 1.00 0.00 C ATOM 710 OE1 GLU A 45 18.292 1.170 -11.227 1.00 0.00 O ATOM 711 OE2 GLU A 45 20.110 -0.016 -10.880 1.00 0.00 O ATOM 0 H GLU A 45 22.263 3.959 -8.375 1.00 0.00 H new ATOM 0 HA GLU A 45 21.064 2.465 -10.584 1.00 0.00 H new ATOM 0 HB2 GLU A 45 19.723 3.096 -7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.792 3.356 -9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 45 20.062 0.755 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.351 1.130 -8.578 1.00 0.00 H new ATOM 718 N MET A 46 20.098 4.661 -11.503 1.00 0.00 N ATOM 719 CA MET A 46 19.895 5.941 -12.171 1.00 0.00 C ATOM 720 C MET A 46 18.439 6.110 -12.593 1.00 0.00 C ATOM 721 O MET A 46 17.873 5.246 -13.263 1.00 0.00 O ATOM 722 CB MET A 46 20.809 6.053 -13.394 1.00 0.00 C ATOM 723 CG MET A 46 22.229 6.474 -13.054 1.00 0.00 C ATOM 724 SD MET A 46 23.156 5.177 -12.212 1.00 0.00 S ATOM 725 CE MET A 46 23.969 4.387 -13.599 1.00 0.00 C ATOM 0 H MET A 46 19.685 3.863 -11.986 1.00 0.00 H new ATOM 0 HA MET A 46 20.144 6.734 -11.466 1.00 0.00 H new ATOM 0 HB2 MET A 46 20.837 5.091 -13.906 1.00 0.00 H new ATOM 0 HB3 MET A 46 20.382 6.774 -14.092 1.00 0.00 H new ATOM 0 HG2 MET A 46 22.751 6.752 -13.970 1.00 0.00 H new ATOM 0 HG3 MET A 46 22.199 7.362 -12.423 1.00 0.00 H new ATOM 0 HE1 MET A 46 24.582 3.561 -13.239 1.00 0.00 H new ATOM 0 HE2 MET A 46 23.219 4.007 -14.292 1.00 0.00 H new ATOM 0 HE3 MET A 46 24.601 5.112 -14.111 1.00 0.00 H new ATOM 735 N TYR A 47 17.838 7.226 -12.197 1.00 0.00 N ATOM 736 CA TYR A 47 16.447 7.506 -12.532 1.00 0.00 C ATOM 737 C TYR A 47 15.607 6.234 -12.477 1.00 0.00 C ATOM 738 O TYR A 47 14.874 5.920 -13.414 1.00 0.00 O ATOM 739 CB TYR A 47 16.352 8.134 -13.923 1.00 0.00 C ATOM 740 CG TYR A 47 17.159 7.404 -14.973 1.00 0.00 C ATOM 741 CD1 TYR A 47 18.505 7.690 -15.165 1.00 0.00 C ATOM 742 CD2 TYR A 47 16.575 6.430 -15.773 1.00 0.00 C ATOM 743 CE1 TYR A 47 19.246 7.026 -16.124 1.00 0.00 C ATOM 744 CE2 TYR A 47 17.309 5.760 -16.733 1.00 0.00 C ATOM 745 CZ TYR A 47 18.644 6.062 -16.905 1.00 0.00 C ATOM 746 OH TYR A 47 19.378 5.398 -17.861 1.00 0.00 O ATOM 0 H TYR A 47 18.293 7.952 -11.643 1.00 0.00 H new ATOM 0 HA TYR A 47 16.057 8.209 -11.796 1.00 0.00 H new ATOM 0 HB2 TYR A 47 15.307 8.157 -14.231 1.00 0.00 H new ATOM 0 HB3 TYR A 47 16.692 9.168 -13.870 1.00 0.00 H new ATOM 0 HD1 TYR A 47 18.980 8.444 -14.555 1.00 0.00 H new ATOM 0 HD2 TYR A 47 15.530 6.192 -15.642 1.00 0.00 H new ATOM 0 HE1 TYR A 47 20.291 7.261 -16.261 1.00 0.00 H new ATOM 0 HE2 TYR A 47 16.840 5.004 -17.345 1.00 0.00 H new ATOM 0 HH TYR A 47 18.805 4.751 -18.322 1.00 0.00 H new ATOM 756 N SER A 48 15.719 5.506 -11.370 1.00 0.00 N ATOM 757 CA SER A 48 14.973 4.266 -11.193 1.00 0.00 C ATOM 758 C SER A 48 13.473 4.538 -11.132 1.00 0.00 C ATOM 759 O SER A 48 13.043 5.646 -10.809 1.00 0.00 O ATOM 760 CB SER A 48 15.425 3.552 -9.917 1.00 0.00 C ATOM 761 OG SER A 48 15.359 4.419 -8.797 1.00 0.00 O ATOM 0 H SER A 48 16.319 5.754 -10.583 1.00 0.00 H new ATOM 0 HA SER A 48 15.174 3.625 -12.051 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.796 2.679 -9.743 1.00 0.00 H new ATOM 0 HB3 SER A 48 16.446 3.190 -10.041 1.00 0.00 H new ATOM 0 HG SER A 48 15.651 3.939 -7.994 1.00 0.00 H new ATOM 767 N LYS A 49 12.680 3.519 -11.446 1.00 0.00 N ATOM 768 CA LYS A 49 11.228 3.645 -11.428 1.00 0.00 C ATOM 769 C LYS A 49 10.587 2.446 -10.736 1.00 0.00 C ATOM 770 O LYS A 49 11.194 1.382 -10.627 1.00 0.00 O ATOM 771 CB LYS A 49 10.688 3.773 -12.854 1.00 0.00 C ATOM 772 CG LYS A 49 9.203 4.086 -12.916 1.00 0.00 C ATOM 773 CD LYS A 49 8.838 4.800 -14.207 1.00 0.00 C ATOM 774 CE LYS A 49 7.413 4.483 -14.635 1.00 0.00 C ATOM 775 NZ LYS A 49 7.165 4.856 -16.055 1.00 0.00 N ATOM 0 H LYS A 49 13.019 2.596 -11.716 1.00 0.00 H new ATOM 0 HA LYS A 49 10.973 4.545 -10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.238 4.558 -13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.878 2.843 -13.390 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.632 3.161 -12.836 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.925 4.707 -12.064 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.948 5.876 -14.073 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.530 4.505 -14.996 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.222 3.418 -14.500 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.713 5.017 -13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.183 4.624 -16.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.323 5.876 -16.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.815 4.328 -16.671 1.00 0.00 H new ATOM 789 N GLY A 50 9.354 2.626 -10.271 1.00 0.00 N ATOM 790 CA GLY A 50 8.651 1.550 -9.597 1.00 0.00 C ATOM 791 C GLY A 50 8.049 1.988 -8.277 1.00 0.00 C ATOM 792 O GLY A 50 8.683 1.869 -7.228 1.00 0.00 O ATOM 0 H GLY A 50 8.830 3.498 -10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.860 1.174 -10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.340 0.724 -9.422 1.00 0.00 H new ATOM 796 N ILE A 51 6.823 2.498 -8.327 1.00 0.00 N ATOM 797 CA ILE A 51 6.136 2.956 -7.126 1.00 0.00 C ATOM 798 C ILE A 51 4.642 2.664 -7.202 1.00 0.00 C ATOM 799 O ILE A 51 4.062 2.617 -8.287 1.00 0.00 O ATOM 800 CB ILE A 51 6.342 4.466 -6.900 1.00 0.00 C ATOM 801 CG1 ILE A 51 6.079 4.825 -5.437 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.434 5.267 -7.820 1.00 0.00 C ATOM 803 CD1 ILE A 51 6.044 6.315 -5.178 1.00 0.00 C ATOM 0 H ILE A 51 6.285 2.604 -9.187 1.00 0.00 H new ATOM 0 HA ILE A 51 6.568 2.409 -6.288 1.00 0.00 H new ATOM 0 HB ILE A 51 7.376 4.716 -7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.129 4.388 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.853 4.374 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.591 6.332 -7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.666 5.028 -8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.394 5.016 -7.614 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.853 6.496 -4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.002 6.755 -5.454 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.251 6.769 -5.773 1.00 0.00 H new ATOM 815 N ILE A 52 4.023 2.470 -6.042 1.00 0.00 N ATOM 816 CA ILE A 52 2.595 2.185 -5.977 1.00 0.00 C ATOM 817 C ILE A 52 1.874 3.190 -5.084 1.00 0.00 C ATOM 818 O ILE A 52 2.078 3.238 -3.871 1.00 0.00 O ATOM 819 CB ILE A 52 2.327 0.763 -5.450 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.126 -0.262 -6.257 1.00 0.00 C ATOM 821 CG2 ILE A 52 0.840 0.448 -5.507 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.426 -1.532 -5.493 1.00 0.00 C ATOM 0 H ILE A 52 4.488 2.505 -5.135 1.00 0.00 H new ATOM 0 HA ILE A 52 2.211 2.265 -6.994 1.00 0.00 H new ATOM 0 HB ILE A 52 2.649 0.710 -4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.570 -0.514 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.065 0.191 -6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.667 -0.560 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.293 1.163 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.493 0.515 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.995 -2.212 -6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.009 -1.292 -4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.491 -2.008 -5.197 1.00 0.00 H new ATOM 834 N PRO A 53 1.010 4.012 -5.697 1.00 0.00 N ATOM 835 CA PRO A 53 0.239 5.030 -4.976 1.00 0.00 C ATOM 836 C PRO A 53 -0.829 4.419 -4.076 1.00 0.00 C ATOM 837 O PRO A 53 -1.677 3.651 -4.534 1.00 0.00 O ATOM 838 CB PRO A 53 -0.410 5.844 -6.099 1.00 0.00 C ATOM 839 CG PRO A 53 -0.487 4.905 -7.252 1.00 0.00 C ATOM 840 CD PRO A 53 0.717 4.011 -7.140 1.00 0.00 C ATOM 0 HA PRO A 53 0.867 5.621 -4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.400 6.198 -5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.184 6.724 -6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.409 4.324 -7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.484 5.447 -8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.507 3.006 -7.507 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.557 4.393 -7.721 1.00 0.00 H new ATOM 848 N LEU A 54 -0.783 4.763 -2.794 1.00 0.00 N ATOM 849 CA LEU A 54 -1.748 4.248 -1.828 1.00 0.00 C ATOM 850 C LEU A 54 -3.151 4.216 -2.424 1.00 0.00 C ATOM 851 O LEU A 54 -3.893 3.252 -2.241 1.00 0.00 O ATOM 852 CB LEU A 54 -1.738 5.106 -0.561 1.00 0.00 C ATOM 853 CG LEU A 54 -2.785 4.753 0.496 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.234 3.722 1.469 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.236 6.002 1.238 1.00 0.00 C ATOM 0 H LEU A 54 -0.088 5.396 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.460 3.229 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.751 5.033 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.879 6.147 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.650 4.322 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.993 3.483 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.962 2.817 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.352 4.126 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.981 5.732 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.379 6.463 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.672 6.708 0.531 1.00 0.00 H new ATOM 867 N SER A 55 -3.508 5.278 -3.141 1.00 0.00 N ATOM 868 CA SER A 55 -4.823 5.372 -3.763 1.00 0.00 C ATOM 869 C SER A 55 -5.159 4.092 -4.522 1.00 0.00 C ATOM 870 O SER A 55 -6.231 3.515 -4.346 1.00 0.00 O ATOM 871 CB SER A 55 -4.876 6.570 -4.713 1.00 0.00 C ATOM 872 OG SER A 55 -3.777 6.561 -5.608 1.00 0.00 O ATOM 0 H SER A 55 -2.905 6.084 -3.305 1.00 0.00 H new ATOM 0 HA SER A 55 -5.562 5.509 -2.973 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.808 6.550 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.872 7.495 -4.137 1.00 0.00 H new ATOM 0 HG SER A 55 -3.835 7.336 -6.205 1.00 0.00 H new ATOM 878 N ALA A 56 -4.232 3.653 -5.368 1.00 0.00 N ATOM 879 CA ALA A 56 -4.427 2.440 -6.153 1.00 0.00 C ATOM 880 C ALA A 56 -4.857 1.276 -5.267 1.00 0.00 C ATOM 881 O ALA A 56 -5.810 0.563 -5.582 1.00 0.00 O ATOM 882 CB ALA A 56 -3.153 2.090 -6.908 1.00 0.00 C ATOM 0 H ALA A 56 -3.339 4.119 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.223 2.627 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.313 1.182 -7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.890 2.909 -7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.342 1.928 -6.198 1.00 0.00 H new ATOM 888 N ILE A 57 -4.148 1.089 -4.159 1.00 0.00 N ATOM 889 CA ILE A 57 -4.457 0.011 -3.228 1.00 0.00 C ATOM 890 C ILE A 57 -5.936 0.013 -2.856 1.00 0.00 C ATOM 891 O ILE A 57 -6.391 0.857 -2.085 1.00 0.00 O ATOM 892 CB ILE A 57 -3.616 0.119 -1.942 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.124 0.047 -2.275 1.00 0.00 C ATOM 894 CG2 ILE A 57 -3.999 -0.981 -0.964 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.229 0.476 -1.134 1.00 0.00 C ATOM 0 H ILE A 57 -3.356 1.670 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.213 -0.923 -3.735 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.819 1.082 -1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.872 -0.975 -2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.922 0.677 -3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.396 -0.891 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.054 -0.888 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.822 -1.954 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.186 0.399 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.453 1.508 -0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.402 -0.170 -0.273 1.00 0.00 H new ATOM 907 N SER A 58 -6.680 -0.940 -3.408 1.00 0.00 N ATOM 908 CA SER A 58 -8.109 -1.047 -3.136 1.00 0.00 C ATOM 909 C SER A 58 -8.360 -1.825 -1.848 1.00 0.00 C ATOM 910 O SER A 58 -9.185 -1.434 -1.022 1.00 0.00 O ATOM 911 CB SER A 58 -8.822 -1.730 -4.304 1.00 0.00 C ATOM 912 OG SER A 58 -10.220 -1.505 -4.250 1.00 0.00 O ATOM 0 H SER A 58 -6.318 -1.649 -4.046 1.00 0.00 H new ATOM 0 HA SER A 58 -8.507 -0.040 -3.015 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.426 -1.353 -5.247 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.622 -2.801 -4.280 1.00 0.00 H new ATOM 0 HG SER A 58 -10.653 -1.951 -5.008 1.00 0.00 H new ATOM 918 N THR A 59 -7.641 -2.931 -1.682 1.00 0.00 N ATOM 919 CA THR A 59 -7.785 -3.766 -0.497 1.00 0.00 C ATOM 920 C THR A 59 -6.688 -4.823 -0.431 1.00 0.00 C ATOM 921 O THR A 59 -6.115 -5.201 -1.453 1.00 0.00 O ATOM 922 CB THR A 59 -9.157 -4.465 -0.465 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.393 -5.025 0.832 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.230 -5.562 -1.517 1.00 0.00 C ATOM 0 H THR A 59 -6.953 -3.269 -2.354 1.00 0.00 H new ATOM 0 HA THR A 59 -7.701 -3.105 0.366 1.00 0.00 H new ATOM 0 HB THR A 59 -9.923 -3.721 -0.684 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.268 -5.466 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.208 -6.041 -1.475 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.080 -5.128 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.454 -6.303 -1.324 1.00 0.00 H new ATOM 932 N VAL A 60 -6.400 -5.296 0.777 1.00 0.00 N ATOM 933 CA VAL A 60 -5.372 -6.311 0.975 1.00 0.00 C ATOM 934 C VAL A 60 -5.980 -7.622 1.459 1.00 0.00 C ATOM 935 O VAL A 60 -6.842 -7.632 2.339 1.00 0.00 O ATOM 936 CB VAL A 60 -4.311 -5.845 1.990 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.207 -6.882 2.123 1.00 0.00 C ATOM 938 CG2 VAL A 60 -3.739 -4.496 1.581 1.00 0.00 C ATOM 0 H VAL A 60 -6.864 -4.993 1.633 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.894 -6.470 0.008 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.790 -5.732 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.467 -6.535 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.633 -7.825 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.728 -7.030 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.991 -4.182 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.276 -4.580 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.540 -3.758 1.542 1.00 0.00 H new ATOM 948 N ARG A 61 -5.526 -8.729 0.879 1.00 0.00 N ATOM 949 CA ARG A 61 -6.027 -10.047 1.250 1.00 0.00 C ATOM 950 C ARG A 61 -4.895 -11.069 1.280 1.00 0.00 C ATOM 951 O ARG A 61 -4.190 -11.259 0.289 1.00 0.00 O ATOM 952 CB ARG A 61 -7.112 -10.498 0.271 1.00 0.00 C ATOM 953 CG ARG A 61 -6.711 -10.359 -1.189 1.00 0.00 C ATOM 954 CD ARG A 61 -7.891 -10.603 -2.116 1.00 0.00 C ATOM 955 NE ARG A 61 -8.229 -12.021 -2.210 1.00 0.00 N ATOM 956 CZ ARG A 61 -9.363 -12.473 -2.734 1.00 0.00 C ATOM 957 NH1 ARG A 61 -10.263 -11.623 -3.208 1.00 0.00 N ATOM 958 NH2 ARG A 61 -9.598 -13.778 -2.784 1.00 0.00 N ATOM 0 H ARG A 61 -4.812 -8.739 0.150 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.457 -9.977 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.361 -11.540 0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.015 -9.914 0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.310 -9.361 -1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.915 -11.067 -1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.756 -10.047 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.657 -10.219 -3.109 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.558 -12.701 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.086 -10.619 -3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.133 -11.973 -3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.908 -14.435 -2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.469 -14.124 -3.186 1.00 0.00 H new ATOM 972 N VAL A 62 -4.726 -11.726 2.423 1.00 0.00 N ATOM 973 CA VAL A 62 -3.681 -12.729 2.582 1.00 0.00 C ATOM 974 C VAL A 62 -3.788 -13.809 1.511 1.00 0.00 C ATOM 975 O VAL A 62 -4.885 -14.246 1.164 1.00 0.00 O ATOM 976 CB VAL A 62 -3.745 -13.392 3.971 1.00 0.00 C ATOM 977 CG1 VAL A 62 -3.598 -12.349 5.068 1.00 0.00 C ATOM 978 CG2 VAL A 62 -5.045 -14.167 4.131 1.00 0.00 C ATOM 0 H VAL A 62 -5.300 -11.581 3.253 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.728 -12.211 2.478 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.916 -14.095 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.646 -12.836 6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.639 -11.842 4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.404 -11.620 4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.074 -14.629 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.890 -13.487 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.104 -14.941 3.366 1.00 0.00 H new ATOM 988 N GLN A 63 -2.641 -14.234 0.990 1.00 0.00 N ATOM 989 CA GLN A 63 -2.607 -15.263 -0.042 1.00 0.00 C ATOM 990 C GLN A 63 -1.457 -16.236 0.197 1.00 0.00 C ATOM 991 O GLN A 63 -0.540 -15.952 0.966 1.00 0.00 O ATOM 992 CB GLN A 63 -2.469 -14.623 -1.425 1.00 0.00 C ATOM 993 CG GLN A 63 -2.627 -15.609 -2.571 1.00 0.00 C ATOM 994 CD GLN A 63 -2.941 -14.928 -3.888 1.00 0.00 C ATOM 995 OE1 GLN A 63 -4.100 -14.844 -4.296 1.00 0.00 O ATOM 996 NE2 GLN A 63 -1.907 -14.438 -4.562 1.00 0.00 N ATOM 0 H GLN A 63 -1.724 -13.882 1.266 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.544 -15.818 0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.216 -13.836 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.492 -14.146 -1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.710 -16.188 -2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.424 -16.314 -2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.963 -14.530 -4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.057 -13.969 -5.456 1.00 0.00 H new ATOM 1005 N GLY A 64 -1.515 -17.387 -0.467 1.00 0.00 N ATOM 1006 CA GLY A 64 -0.473 -18.385 -0.312 1.00 0.00 C ATOM 1007 C GLY A 64 0.069 -18.443 1.103 1.00 0.00 C ATOM 1008 O GLY A 64 -0.625 -18.090 2.056 1.00 0.00 O ATOM 0 H GLY A 64 -2.264 -17.646 -1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.867 -19.363 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.342 -18.165 -1.001 1.00 0.00 H new ATOM 1012 N ASP A 65 1.313 -18.890 1.240 1.00 0.00 N ATOM 1013 CA ASP A 65 1.948 -18.993 2.549 1.00 0.00 C ATOM 1014 C ASP A 65 2.783 -17.751 2.847 1.00 0.00 C ATOM 1015 O ASP A 65 3.512 -17.260 1.986 1.00 0.00 O ATOM 1016 CB ASP A 65 2.828 -20.242 2.615 1.00 0.00 C ATOM 1017 CG ASP A 65 2.029 -21.498 2.902 1.00 0.00 C ATOM 1018 OD1 ASP A 65 1.384 -21.561 3.971 1.00 0.00 O ATOM 1019 OD2 ASP A 65 2.047 -22.418 2.059 1.00 0.00 O ATOM 0 H ASP A 65 1.901 -19.187 0.461 1.00 0.00 H new ATOM 0 HA ASP A 65 1.163 -19.070 3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.358 -20.360 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.583 -20.110 3.390 1.00 0.00 H new ATOM 1024 N ASN A 66 2.670 -17.249 4.072 1.00 0.00 N ATOM 1025 CA ASN A 66 3.413 -16.063 4.483 1.00 0.00 C ATOM 1026 C ASN A 66 3.467 -15.037 3.356 1.00 0.00 C ATOM 1027 O ASN A 66 4.486 -14.377 3.150 1.00 0.00 O ATOM 1028 CB ASN A 66 4.832 -16.447 4.908 1.00 0.00 C ATOM 1029 CG ASN A 66 4.844 -17.495 6.003 1.00 0.00 C ATOM 1030 OD1 ASN A 66 3.863 -18.212 6.203 1.00 0.00 O ATOM 1031 ND2 ASN A 66 5.958 -17.589 6.720 1.00 0.00 N ATOM 0 H ASN A 66 2.072 -17.644 4.797 1.00 0.00 H new ATOM 0 HA ASN A 66 2.895 -15.616 5.332 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.378 -16.823 4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.358 -15.557 5.255 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.025 -18.276 7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.747 -16.974 6.520 1.00 0.00 H new ATOM 1038 N LYS A 67 2.363 -14.906 2.629 1.00 0.00 N ATOM 1039 CA LYS A 67 2.282 -13.959 1.523 1.00 0.00 C ATOM 1040 C LYS A 67 0.954 -13.209 1.545 1.00 0.00 C ATOM 1041 O LYS A 67 0.012 -13.615 2.225 1.00 0.00 O ATOM 1042 CB LYS A 67 2.447 -14.688 0.187 1.00 0.00 C ATOM 1043 CG LYS A 67 3.891 -15.008 -0.157 1.00 0.00 C ATOM 1044 CD LYS A 67 4.063 -15.285 -1.641 1.00 0.00 C ATOM 1045 CE LYS A 67 3.627 -16.697 -1.999 1.00 0.00 C ATOM 1046 NZ LYS A 67 3.116 -16.783 -3.395 1.00 0.00 N ATOM 0 H LYS A 67 1.511 -15.444 2.786 1.00 0.00 H new ATOM 0 HA LYS A 67 3.089 -13.236 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.875 -15.615 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.020 -14.075 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.529 -14.174 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.219 -15.875 0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.480 -14.566 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.107 -15.144 -1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.469 -17.379 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.850 -17.024 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.829 -17.761 -3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.297 -16.152 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.865 -16.496 -4.057 1.00 0.00 H new ATOM 1060 N PHE A 68 0.885 -12.115 0.794 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.328 -11.308 0.727 1.00 0.00 C ATOM 1062 C PHE A 68 -0.492 -10.687 -0.657 1.00 0.00 C ATOM 1063 O PHE A 68 0.490 -10.355 -1.319 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.295 -10.210 1.791 1.00 0.00 C ATOM 1065 CG PHE A 68 0.845 -9.247 1.624 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.142 -9.628 1.927 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.620 -7.959 1.164 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.193 -8.744 1.774 1.00 0.00 C ATOM 1069 CE2 PHE A 68 1.667 -7.071 1.008 1.00 0.00 C ATOM 1070 CZ PHE A 68 2.955 -7.464 1.315 1.00 0.00 C ATOM 0 H PHE A 68 1.655 -11.767 0.223 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.180 -11.961 0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.234 -9.658 1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.229 -10.672 2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.334 -10.628 2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.386 -7.646 0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.199 -9.054 2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.478 -6.071 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.775 -6.771 1.196 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.741 -10.533 -1.086 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.034 -9.953 -2.391 1.00 0.00 C ATOM 1082 C GLU A 69 -2.551 -8.524 -2.248 1.00 0.00 C ATOM 1083 O GLU A 69 -3.612 -8.291 -1.668 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.063 -10.807 -3.134 1.00 0.00 C ATOM 1085 CG GLU A 69 -2.918 -10.756 -4.646 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.097 -11.382 -5.366 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.238 -11.225 -4.883 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -3.879 -12.028 -6.412 1.00 0.00 O ATOM 0 H GLU A 69 -2.565 -10.802 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.108 -9.930 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.971 -11.842 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.064 -10.473 -2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.813 -9.718 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.003 -11.272 -4.937 1.00 0.00 H new ATOM 1095 N VAL A 70 -1.793 -7.571 -2.780 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.173 -6.165 -2.712 1.00 0.00 C ATOM 1097 C VAL A 70 -2.955 -5.747 -3.952 1.00 0.00 C ATOM 1098 O VAL A 70 -2.375 -5.487 -5.007 1.00 0.00 O ATOM 1099 CB VAL A 70 -0.938 -5.256 -2.567 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.349 -3.791 -2.580 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.176 -5.593 -1.294 1.00 0.00 C ATOM 0 H VAL A 70 -0.912 -7.747 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.805 -6.050 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.277 -5.431 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.464 -3.164 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.848 -3.562 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.030 -3.597 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.694 -4.941 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.826 -5.447 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.151 -6.632 -1.330 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.276 -5.685 -3.819 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.139 -5.297 -4.929 1.00 0.00 C ATOM 1113 C VAL A 71 -4.920 -3.837 -5.311 1.00 0.00 C ATOM 1114 O VAL A 71 -4.908 -2.954 -4.453 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.625 -5.508 -4.584 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.511 -5.032 -5.725 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.895 -6.971 -4.264 1.00 0.00 C ATOM 0 H VAL A 71 -4.772 -5.898 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.875 -5.934 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.862 -4.916 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.557 -5.189 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.337 -3.971 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.275 -5.595 -6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.950 -7.102 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.642 -7.585 -5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.287 -7.275 -3.412 1.00 0.00 H new ATOM 1127 N THR A 72 -4.747 -3.590 -6.606 1.00 0.00 N ATOM 1128 CA THR A 72 -4.528 -2.238 -7.103 1.00 0.00 C ATOM 1129 C THR A 72 -5.301 -1.994 -8.394 1.00 0.00 C ATOM 1130 O THR A 72 -5.637 -2.934 -9.116 1.00 0.00 O ATOM 1131 CB THR A 72 -3.032 -1.968 -7.354 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.469 -3.023 -8.142 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.275 -1.850 -6.040 1.00 0.00 C ATOM 0 H THR A 72 -4.754 -4.309 -7.329 1.00 0.00 H new ATOM 0 HA THR A 72 -4.889 -1.556 -6.333 1.00 0.00 H new ATOM 0 HB THR A 72 -2.941 -1.025 -7.893 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.491 -2.968 -8.112 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.221 -1.659 -6.243 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.687 -1.027 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.374 -2.779 -5.478 1.00 0.00 H new ATOM 1141 N THR A 73 -5.580 -0.727 -8.681 1.00 0.00 N ATOM 1142 CA THR A 73 -6.314 -0.360 -9.886 1.00 0.00 C ATOM 1143 C THR A 73 -5.574 -0.812 -11.140 1.00 0.00 C ATOM 1144 O THR A 73 -6.138 -1.500 -11.989 1.00 0.00 O ATOM 1145 CB THR A 73 -6.546 1.161 -9.961 1.00 0.00 C ATOM 1146 OG1 THR A 73 -7.193 1.617 -8.767 1.00 0.00 O ATOM 1147 CG2 THR A 73 -7.394 1.520 -11.172 1.00 0.00 C ATOM 0 H THR A 73 -5.309 0.063 -8.095 1.00 0.00 H new ATOM 0 HA THR A 73 -7.278 -0.865 -9.835 1.00 0.00 H new ATOM 0 HB THR A 73 -5.577 1.650 -10.058 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.336 2.585 -8.821 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.544 2.599 -11.204 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.886 1.197 -12.081 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.360 1.021 -11.100 1.00 0.00 H new ATOM 1155 N GLN A 74 -4.308 -0.420 -11.247 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.492 -0.786 -12.399 1.00 0.00 C ATOM 1157 C GLN A 74 -3.461 -2.300 -12.585 1.00 0.00 C ATOM 1158 O GLN A 74 -3.907 -2.818 -13.609 1.00 0.00 O ATOM 1159 CB GLN A 74 -2.068 -0.252 -12.231 1.00 0.00 C ATOM 1160 CG GLN A 74 -1.893 1.176 -12.723 1.00 0.00 C ATOM 1161 CD GLN A 74 -0.491 1.705 -12.492 1.00 0.00 C ATOM 1162 OE1 GLN A 74 -0.095 1.971 -11.356 1.00 0.00 O ATOM 1163 NE2 GLN A 74 0.269 1.860 -13.569 1.00 0.00 N ATOM 0 H GLN A 74 -3.826 0.150 -10.552 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.939 -0.338 -13.287 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.792 -0.301 -11.178 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.379 -0.901 -12.772 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.123 1.220 -13.788 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.609 1.822 -12.215 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.100 1.627 -14.491 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.222 2.212 -13.475 1.00 0.00 H new ATOM 1172 N ARG A 75 -2.930 -3.003 -11.590 1.00 0.00 N ATOM 1173 CA ARG A 75 -2.839 -4.457 -11.645 1.00 0.00 C ATOM 1174 C ARG A 75 -2.423 -5.027 -10.293 1.00 0.00 C ATOM 1175 O ARG A 75 -1.403 -4.632 -9.727 1.00 0.00 O ATOM 1176 CB ARG A 75 -1.840 -4.886 -12.722 1.00 0.00 C ATOM 1177 CG ARG A 75 -0.399 -4.535 -12.390 1.00 0.00 C ATOM 1178 CD ARG A 75 0.514 -4.740 -13.588 1.00 0.00 C ATOM 1179 NE ARG A 75 0.907 -6.138 -13.744 1.00 0.00 N ATOM 1180 CZ ARG A 75 1.678 -6.580 -14.731 1.00 0.00 C ATOM 1181 NH1 ARG A 75 2.137 -5.736 -15.645 1.00 0.00 N ATOM 1182 NH2 ARG A 75 1.991 -7.867 -14.805 1.00 0.00 N ATOM 0 H ARG A 75 -2.556 -2.589 -10.736 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.824 -4.849 -11.897 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.918 -5.963 -12.870 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.112 -4.414 -13.666 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.343 -3.497 -12.061 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.055 -5.151 -11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.007 -4.403 -14.492 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.406 -4.123 -13.474 1.00 0.00 H new ATOM 0 HE ARG A 75 0.571 -6.812 -13.057 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.898 -4.746 -15.591 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.729 -6.077 -16.402 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.639 -8.519 -14.103 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.583 -8.205 -15.564 1.00 0.00 H new ATOM 1196 N THR A 76 -3.220 -5.959 -9.779 1.00 0.00 N ATOM 1197 CA THR A 76 -2.935 -6.583 -8.493 1.00 0.00 C ATOM 1198 C THR A 76 -1.457 -6.934 -8.367 1.00 0.00 C ATOM 1199 O THR A 76 -0.858 -7.483 -9.291 1.00 0.00 O ATOM 1200 CB THR A 76 -3.773 -7.860 -8.290 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.162 -7.571 -8.488 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.563 -8.430 -6.896 1.00 0.00 C ATOM 0 H THR A 76 -4.068 -6.298 -10.234 1.00 0.00 H new ATOM 0 HA THR A 76 -3.200 -5.857 -7.724 1.00 0.00 H new ATOM 0 HB THR A 76 -3.448 -8.601 -9.021 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.688 -8.388 -8.359 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.165 -9.331 -6.777 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.510 -8.676 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.863 -7.692 -6.152 1.00 0.00 H new ATOM 1210 N PHE A 77 -0.874 -6.614 -7.216 1.00 0.00 N ATOM 1211 CA PHE A 77 0.535 -6.895 -6.969 1.00 0.00 C ATOM 1212 C PHE A 77 0.701 -7.849 -5.789 1.00 0.00 C ATOM 1213 O PHE A 77 -0.031 -7.767 -4.803 1.00 0.00 O ATOM 1214 CB PHE A 77 1.297 -5.596 -6.700 1.00 0.00 C ATOM 1215 CG PHE A 77 1.175 -4.589 -7.807 1.00 0.00 C ATOM 1216 CD1 PHE A 77 1.646 -4.877 -9.078 1.00 0.00 C ATOM 1217 CD2 PHE A 77 0.589 -3.355 -7.578 1.00 0.00 C ATOM 1218 CE1 PHE A 77 1.536 -3.952 -10.099 1.00 0.00 C ATOM 1219 CE2 PHE A 77 0.475 -2.426 -8.595 1.00 0.00 C ATOM 1220 CZ PHE A 77 0.949 -2.725 -9.858 1.00 0.00 C ATOM 0 H PHE A 77 -1.356 -6.160 -6.440 1.00 0.00 H new ATOM 0 HA PHE A 77 0.946 -7.371 -7.859 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.929 -5.153 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.351 -5.828 -6.545 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.104 -5.835 -9.273 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.217 -3.116 -6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.909 -4.188 -11.085 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.016 -1.468 -8.403 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.861 -2.001 -10.655 1.00 0.00 H new ATOM 1230 N VAL A 78 1.668 -8.754 -5.899 1.00 0.00 N ATOM 1231 CA VAL A 78 1.931 -9.724 -4.843 1.00 0.00 C ATOM 1232 C VAL A 78 3.274 -9.457 -4.174 1.00 0.00 C ATOM 1233 O VAL A 78 4.253 -9.111 -4.837 1.00 0.00 O ATOM 1234 CB VAL A 78 1.918 -11.165 -5.387 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.597 -12.111 -4.409 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.493 -11.613 -5.674 1.00 0.00 C ATOM 0 H VAL A 78 2.282 -8.836 -6.709 1.00 0.00 H new ATOM 0 HA VAL A 78 1.134 -9.615 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 78 2.476 -11.187 -6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.578 -13.124 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.631 -11.799 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.070 -12.089 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.503 -12.633 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.092 -11.576 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.046 -10.951 -6.415 1.00 0.00 H new ATOM 1246 N PHE A 79 3.316 -9.620 -2.856 1.00 0.00 N ATOM 1247 CA PHE A 79 4.540 -9.396 -2.095 1.00 0.00 C ATOM 1248 C PHE A 79 4.820 -10.567 -1.158 1.00 0.00 C ATOM 1249 O PHE A 79 3.912 -11.086 -0.508 1.00 0.00 O ATOM 1250 CB PHE A 79 4.436 -8.098 -1.292 1.00 0.00 C ATOM 1251 CG PHE A 79 4.780 -6.871 -2.087 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.994 -6.777 -2.750 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.891 -5.812 -2.172 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.314 -5.650 -3.483 1.00 0.00 C ATOM 1255 CE2 PHE A 79 4.206 -4.682 -2.904 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.419 -4.601 -3.559 1.00 0.00 C ATOM 0 H PHE A 79 2.516 -9.907 -2.292 1.00 0.00 H new ATOM 0 HA PHE A 79 5.367 -9.313 -2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.421 -7.999 -0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.099 -8.160 -0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.698 -7.594 -2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.941 -5.870 -1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.263 -5.590 -3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.504 -3.863 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.667 -3.719 -4.130 1.00 0.00 H new ATOM 1266 N ARG A 80 6.082 -10.977 -1.094 1.00 0.00 N ATOM 1267 CA ARG A 80 6.483 -12.087 -0.238 1.00 0.00 C ATOM 1268 C ARG A 80 7.453 -11.618 0.842 1.00 0.00 C ATOM 1269 O ARG A 80 8.381 -10.857 0.570 1.00 0.00 O ATOM 1270 CB ARG A 80 7.128 -13.195 -1.073 1.00 0.00 C ATOM 1271 CG ARG A 80 7.551 -14.405 -0.255 1.00 0.00 C ATOM 1272 CD ARG A 80 8.954 -14.235 0.306 1.00 0.00 C ATOM 1273 NE ARG A 80 9.629 -15.517 0.490 1.00 0.00 N ATOM 1274 CZ ARG A 80 9.249 -16.426 1.381 1.00 0.00 C ATOM 1275 NH1 ARG A 80 8.204 -16.195 2.164 1.00 0.00 N ATOM 1276 NH2 ARG A 80 9.914 -17.569 1.489 1.00 0.00 N ATOM 0 H ARG A 80 6.845 -10.557 -1.625 1.00 0.00 H new ATOM 0 HA ARG A 80 5.590 -12.480 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.425 -13.515 -1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.000 -12.791 -1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.847 -14.557 0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.513 -15.298 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.540 -13.610 -0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.902 -13.713 1.261 1.00 0.00 H new ATOM 0 HE ARG A 80 10.436 -15.726 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.690 -15.318 2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.914 -16.895 2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.718 -17.750 0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.622 -18.266 2.173 1.00 0.00 H new ATOM 1290 N VAL A 81 7.230 -12.078 2.070 1.00 0.00 N ATOM 1291 CA VAL A 81 8.084 -11.706 3.192 1.00 0.00 C ATOM 1292 C VAL A 81 8.884 -12.903 3.693 1.00 0.00 C ATOM 1293 O VAL A 81 8.534 -14.052 3.424 1.00 0.00 O ATOM 1294 CB VAL A 81 7.260 -11.128 4.357 1.00 0.00 C ATOM 1295 CG1 VAL A 81 6.581 -9.832 3.940 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.236 -12.144 4.840 1.00 0.00 C ATOM 0 H VAL A 81 6.466 -12.708 2.312 1.00 0.00 H new ATOM 0 HA VAL A 81 8.770 -10.941 2.828 1.00 0.00 H new ATOM 0 HB VAL A 81 7.936 -10.906 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.003 -9.438 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.337 -9.103 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.916 -10.024 3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.662 -11.719 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.562 -12.399 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.749 -13.043 5.181 1.00 0.00 H new ATOM 1306 N GLU A 82 9.958 -12.626 4.426 1.00 0.00 N ATOM 1307 CA GLU A 82 10.807 -13.681 4.965 1.00 0.00 C ATOM 1308 C GLU A 82 10.181 -14.299 6.212 1.00 0.00 C ATOM 1309 O GLU A 82 10.549 -15.400 6.625 1.00 0.00 O ATOM 1310 CB GLU A 82 12.195 -13.129 5.298 1.00 0.00 C ATOM 1311 CG GLU A 82 13.288 -14.184 5.290 1.00 0.00 C ATOM 1312 CD GLU A 82 14.675 -13.589 5.433 1.00 0.00 C ATOM 1313 OE1 GLU A 82 14.890 -12.807 6.383 1.00 0.00 O ATOM 1314 OE2 GLU A 82 15.546 -13.904 4.595 1.00 0.00 O ATOM 0 H GLU A 82 10.260 -11.680 4.660 1.00 0.00 H new ATOM 0 HA GLU A 82 10.905 -14.457 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.449 -12.350 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.163 -12.658 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.114 -14.889 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.234 -14.751 4.360 1.00 0.00 H new ATOM 1321 N LYS A 83 9.233 -13.584 6.808 1.00 0.00 N ATOM 1322 CA LYS A 83 8.554 -14.060 8.007 1.00 0.00 C ATOM 1323 C LYS A 83 7.084 -13.656 7.996 1.00 0.00 C ATOM 1324 O LYS A 83 6.729 -12.587 7.501 1.00 0.00 O ATOM 1325 CB LYS A 83 9.237 -13.506 9.259 1.00 0.00 C ATOM 1326 CG LYS A 83 10.708 -13.872 9.362 1.00 0.00 C ATOM 1327 CD LYS A 83 10.896 -15.347 9.674 1.00 0.00 C ATOM 1328 CE LYS A 83 12.288 -15.629 10.218 1.00 0.00 C ATOM 1329 NZ LYS A 83 12.411 -17.022 10.731 1.00 0.00 N ATOM 0 H LYS A 83 8.917 -12.671 6.480 1.00 0.00 H new ATOM 0 HA LYS A 83 8.613 -15.148 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.140 -12.420 9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.716 -13.878 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.210 -13.631 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.179 -13.272 10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.149 -15.664 10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.731 -15.935 8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.025 -15.465 9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.514 -14.926 11.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.374 -17.175 11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.725 -17.171 11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.220 -17.694 9.960 1.00 0.00 H new ATOM 1343 N GLU A 84 6.233 -14.517 8.546 1.00 0.00 N ATOM 1344 CA GLU A 84 4.801 -14.248 8.600 1.00 0.00 C ATOM 1345 C GLU A 84 4.526 -12.895 9.250 1.00 0.00 C ATOM 1346 O GLU A 84 3.839 -12.049 8.678 1.00 0.00 O ATOM 1347 CB GLU A 84 4.080 -15.354 9.373 1.00 0.00 C ATOM 1348 CG GLU A 84 4.404 -15.369 10.858 1.00 0.00 C ATOM 1349 CD GLU A 84 3.837 -16.583 11.566 1.00 0.00 C ATOM 1350 OE1 GLU A 84 2.611 -16.805 11.474 1.00 0.00 O ATOM 1351 OE2 GLU A 84 4.618 -17.312 12.213 1.00 0.00 O ATOM 0 H GLU A 84 6.511 -15.407 8.960 1.00 0.00 H new ATOM 0 HA GLU A 84 4.423 -14.224 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.004 -15.233 9.246 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.345 -16.319 8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.486 -15.348 10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.009 -14.465 11.322 1.00 0.00 H new ATOM 1358 N GLU A 85 5.068 -12.699 10.448 1.00 0.00 N ATOM 1359 CA GLU A 85 4.880 -11.450 11.176 1.00 0.00 C ATOM 1360 C GLU A 85 4.859 -10.261 10.220 1.00 0.00 C ATOM 1361 O GLU A 85 4.001 -9.385 10.323 1.00 0.00 O ATOM 1362 CB GLU A 85 5.991 -11.266 12.212 1.00 0.00 C ATOM 1363 CG GLU A 85 5.669 -11.880 13.565 1.00 0.00 C ATOM 1364 CD GLU A 85 6.487 -11.275 14.689 1.00 0.00 C ATOM 1365 OE1 GLU A 85 7.681 -11.620 14.807 1.00 0.00 O ATOM 1366 OE2 GLU A 85 5.932 -10.455 15.451 1.00 0.00 O ATOM 0 H GLU A 85 5.640 -13.389 10.934 1.00 0.00 H new ATOM 0 HA GLU A 85 3.919 -11.499 11.689 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.910 -11.711 11.830 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.182 -10.201 12.342 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.609 -11.744 13.778 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.851 -12.954 13.525 1.00 0.00 H new ATOM 1373 N GLU A 86 5.810 -10.239 9.291 1.00 0.00 N ATOM 1374 CA GLU A 86 5.901 -9.156 8.318 1.00 0.00 C ATOM 1375 C GLU A 86 4.650 -9.102 7.446 1.00 0.00 C ATOM 1376 O GLU A 86 4.112 -8.027 7.181 1.00 0.00 O ATOM 1377 CB GLU A 86 7.141 -9.334 7.439 1.00 0.00 C ATOM 1378 CG GLU A 86 8.450 -9.176 8.194 1.00 0.00 C ATOM 1379 CD GLU A 86 9.655 -9.146 7.274 1.00 0.00 C ATOM 1380 OE1 GLU A 86 9.792 -10.073 6.448 1.00 0.00 O ATOM 1381 OE2 GLU A 86 10.460 -8.198 7.379 1.00 0.00 O ATOM 0 H GLU A 86 6.527 -10.957 9.192 1.00 0.00 H new ATOM 0 HA GLU A 86 5.983 -8.216 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.112 -10.323 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.109 -8.606 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.420 -8.255 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.558 -9.998 8.902 1.00 0.00 H new ATOM 1388 N ARG A 87 4.193 -10.269 7.004 1.00 0.00 N ATOM 1389 CA ARG A 87 3.007 -10.354 6.160 1.00 0.00 C ATOM 1390 C ARG A 87 1.818 -9.663 6.822 1.00 0.00 C ATOM 1391 O ARG A 87 1.091 -8.907 6.180 1.00 0.00 O ATOM 1392 CB ARG A 87 2.665 -11.817 5.872 1.00 0.00 C ATOM 1393 CG ARG A 87 1.508 -11.992 4.902 1.00 0.00 C ATOM 1394 CD ARG A 87 0.173 -12.038 5.629 1.00 0.00 C ATOM 1395 NE ARG A 87 0.038 -13.237 6.451 1.00 0.00 N ATOM 1396 CZ ARG A 87 -0.891 -13.385 7.389 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -1.762 -12.414 7.622 1.00 0.00 N ATOM 1398 NH2 ARG A 87 -0.950 -14.507 8.095 1.00 0.00 N ATOM 0 H ARG A 87 4.626 -11.168 7.216 1.00 0.00 H new ATOM 0 HA ARG A 87 3.223 -9.846 5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.546 -12.314 5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.420 -12.316 6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.505 -11.171 4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.645 -12.911 4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.073 -11.154 6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.637 -12.005 4.901 1.00 0.00 H new ATOM 0 HE ARG A 87 0.693 -14.003 6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.720 -11.551 7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.474 -12.530 8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.282 -15.257 7.918 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.664 -14.620 8.815 1.00 0.00 H new ATOM 1412 N ASN A 88 1.628 -9.930 8.110 1.00 0.00 N ATOM 1413 CA ASN A 88 0.527 -9.335 8.859 1.00 0.00 C ATOM 1414 C ASN A 88 0.788 -7.856 9.128 1.00 0.00 C ATOM 1415 O ASN A 88 -0.124 -7.032 9.063 1.00 0.00 O ATOM 1416 CB ASN A 88 0.322 -10.077 10.182 1.00 0.00 C ATOM 1417 CG ASN A 88 1.167 -9.505 11.303 1.00 0.00 C ATOM 1418 OD1 ASN A 88 1.062 -8.323 11.633 1.00 0.00 O ATOM 1419 ND2 ASN A 88 2.012 -10.342 11.894 1.00 0.00 N ATOM 0 H ASN A 88 2.222 -10.554 8.656 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.377 -9.423 8.257 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.730 -10.029 10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.568 -11.130 10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.607 -10.013 12.654 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.066 -11.313 11.588 1.00 0.00 H new ATOM 1426 N ASP A 89 2.040 -7.528 9.430 1.00 0.00 N ATOM 1427 CA ASP A 89 2.422 -6.149 9.708 1.00 0.00 C ATOM 1428 C ASP A 89 2.108 -5.248 8.517 1.00 0.00 C ATOM 1429 O ASP A 89 1.261 -4.360 8.605 1.00 0.00 O ATOM 1430 CB ASP A 89 3.912 -6.068 10.045 1.00 0.00 C ATOM 1431 CG ASP A 89 4.181 -6.252 11.526 1.00 0.00 C ATOM 1432 OD1 ASP A 89 3.711 -5.414 12.322 1.00 0.00 O ATOM 1433 OD2 ASP A 89 4.863 -7.234 11.888 1.00 0.00 O ATOM 0 H ASP A 89 2.807 -8.198 9.488 1.00 0.00 H new ATOM 0 HA ASP A 89 1.844 -5.803 10.565 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.451 -6.831 9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.302 -5.102 9.725 1.00 0.00 H new ATOM 1438 N TRP A 90 2.798 -5.482 7.407 1.00 0.00 N ATOM 1439 CA TRP A 90 2.593 -4.691 6.199 1.00 0.00 C ATOM 1440 C TRP A 90 1.115 -4.377 5.998 1.00 0.00 C ATOM 1441 O TRP A 90 0.735 -3.217 5.832 1.00 0.00 O ATOM 1442 CB TRP A 90 3.139 -5.434 4.979 1.00 0.00 C ATOM 1443 CG TRP A 90 4.619 -5.275 4.800 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.589 -6.168 5.158 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.297 -4.155 4.220 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.828 -5.670 4.836 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.676 -4.437 4.259 1.00 0.00 C ATOM 1448 CE3 TRP A 90 4.872 -2.942 3.671 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.631 -3.549 3.770 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 5.821 -2.062 3.186 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.187 -2.369 3.238 1.00 0.00 C ATOM 0 H TRP A 90 3.504 -6.213 7.318 1.00 0.00 H new ATOM 0 HA TRP A 90 3.133 -3.751 6.315 1.00 0.00 H new ATOM 0 HB2 TRP A 90 2.903 -6.494 5.073 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.631 -5.072 4.085 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.408 -7.125 5.625 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.717 -6.142 5.000 1.00 0.00 H new ATOM 0 HE3 TRP A 90 3.821 -2.697 3.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.685 -3.783 3.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.504 -1.122 2.760 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.904 -1.660 2.850 1.00 0.00 H new ATOM 1462 N ILE A 91 0.286 -5.415 6.015 1.00 0.00 N ATOM 1463 CA ILE A 91 -1.151 -5.248 5.836 1.00 0.00 C ATOM 1464 C ILE A 91 -1.709 -4.212 6.807 1.00 0.00 C ATOM 1465 O ILE A 91 -2.217 -3.170 6.394 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.902 -6.578 6.035 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.448 -7.605 4.996 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.404 -6.356 5.947 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -2.047 -8.978 5.202 1.00 0.00 C ATOM 0 H ILE A 91 0.585 -6.381 6.151 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.304 -4.904 4.813 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.669 -6.965 7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.715 -7.246 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.361 -7.683 5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.921 -7.305 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.714 -5.654 6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.655 -5.950 4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.681 -9.654 4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.759 -9.357 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.133 -8.914 5.143 1.00 0.00 H new ATOM 1481 N SER A 92 -1.610 -4.506 8.099 1.00 0.00 N ATOM 1482 CA SER A 92 -2.106 -3.601 9.129 1.00 0.00 C ATOM 1483 C SER A 92 -1.675 -2.166 8.845 1.00 0.00 C ATOM 1484 O SER A 92 -2.452 -1.227 9.019 1.00 0.00 O ATOM 1485 CB SER A 92 -1.600 -4.035 10.506 1.00 0.00 C ATOM 1486 OG SER A 92 -2.352 -3.426 11.541 1.00 0.00 O ATOM 0 H SER A 92 -1.191 -5.364 8.458 1.00 0.00 H new ATOM 0 HA SER A 92 -3.195 -3.643 9.121 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.664 -5.119 10.595 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.548 -3.768 10.611 1.00 0.00 H new ATOM 0 HG SER A 92 -2.010 -3.721 12.411 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.431 -2.004 8.407 1.00 0.00 N ATOM 1493 CA ILE A 93 0.104 -0.684 8.098 1.00 0.00 C ATOM 1494 C ILE A 93 -0.642 -0.048 6.930 1.00 0.00 C ATOM 1495 O ILE A 93 -1.217 1.033 7.061 1.00 0.00 O ATOM 1496 CB ILE A 93 1.605 -0.750 7.759 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.385 -1.379 8.915 1.00 0.00 C ATOM 1498 CG2 ILE A 93 2.139 0.640 7.447 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.725 -1.946 8.503 1.00 0.00 C ATOM 0 H ILE A 93 0.225 -2.771 8.258 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.032 -0.072 8.990 1.00 0.00 H new ATOM 0 HB ILE A 93 1.735 -1.375 6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.540 -0.627 9.689 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.784 -2.173 9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.201 0.577 7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.600 1.054 6.595 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.999 1.287 8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.222 -2.375 9.373 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.576 -2.721 7.751 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.344 -1.151 8.087 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.631 -0.727 5.788 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.308 -0.230 4.596 1.00 0.00 C ATOM 1513 C LEU A 94 -2.746 0.171 4.914 1.00 0.00 C ATOM 1514 O LEU A 94 -3.176 1.282 4.599 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.295 -1.293 3.497 1.00 0.00 C ATOM 1516 CG LEU A 94 0.082 -1.688 2.962 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.022 -2.921 2.077 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.709 -0.532 2.197 1.00 0.00 C ATOM 0 H LEU A 94 -0.161 -1.623 5.663 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.773 0.652 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.785 -2.189 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.897 -0.932 2.663 1.00 0.00 H new ATOM 0 HG LEU A 94 0.724 -1.928 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.968 -3.187 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.428 -3.751 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.681 -2.710 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.688 -0.831 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.068 -0.261 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.820 0.326 2.861 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.483 -0.739 5.541 1.00 0.00 N ATOM 1531 CA LEU A 95 -4.872 -0.480 5.904 1.00 0.00 C ATOM 1532 C LEU A 95 -4.995 0.818 6.696 1.00 0.00 C ATOM 1533 O LEU A 95 -5.781 1.698 6.347 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.431 -1.645 6.722 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.808 -2.899 5.933 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -6.142 -4.044 6.877 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -6.980 -2.613 5.005 1.00 0.00 C ATOM 0 H LEU A 95 -3.142 -1.662 5.809 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.449 -0.379 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.693 -1.922 7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.315 -1.297 7.256 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.952 -3.193 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.408 -4.928 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.276 -4.266 7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.982 -3.760 7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.235 -3.517 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.840 -2.293 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.706 -1.824 4.305 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.210 0.930 7.763 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.230 2.122 8.605 1.00 0.00 C ATOM 1551 C ASN A 96 -4.179 3.388 7.755 1.00 0.00 C ATOM 1552 O ASN A 96 -4.868 4.367 8.041 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.053 2.101 9.581 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.293 2.979 10.794 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -4.322 3.646 10.898 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -2.340 2.983 11.719 1.00 0.00 N ATOM 0 H ASN A 96 -3.553 0.211 8.065 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.162 2.123 9.171 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.873 1.077 9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.152 2.435 9.067 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.445 3.555 12.557 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.503 2.414 11.591 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.358 3.360 6.710 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.219 4.504 5.818 1.00 0.00 C ATOM 1565 C ALA A 97 -4.454 4.668 4.939 1.00 0.00 C ATOM 1566 O ALA A 97 -4.913 5.786 4.697 1.00 0.00 O ATOM 1567 CB ALA A 97 -1.973 4.354 4.958 1.00 0.00 C ATOM 0 H ALA A 97 -2.779 2.558 6.461 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.119 5.401 6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.882 5.215 4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.094 4.294 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.050 3.445 4.361 1.00 0.00 H new ATOM 1573 N LEU A 98 -4.989 3.549 4.462 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.171 3.569 3.609 1.00 0.00 C ATOM 1575 C LEU A 98 -7.344 4.239 4.318 1.00 0.00 C ATOM 1576 O LEU A 98 -8.062 5.047 3.728 1.00 0.00 O ATOM 1577 CB LEU A 98 -6.554 2.146 3.200 1.00 0.00 C ATOM 1578 CG LEU A 98 -5.663 1.488 2.145 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -5.963 0.000 2.045 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -5.849 2.163 0.794 1.00 0.00 C ATOM 0 H LEU A 98 -4.622 2.616 4.652 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.933 4.146 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.550 1.520 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.577 2.160 2.825 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.623 1.608 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.320 -0.451 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.778 -0.474 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.007 -0.143 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.207 1.682 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.890 2.074 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.583 3.217 0.874 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.531 3.900 5.589 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.614 4.470 6.382 1.00 0.00 C ATOM 1594 C LYS A 99 -8.675 5.984 6.210 1.00 0.00 C ATOM 1595 O LYS A 99 -9.757 6.568 6.151 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.430 4.121 7.861 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.584 2.640 8.160 1.00 0.00 C ATOM 1598 CD LYS A 99 -8.697 2.381 9.653 1.00 0.00 C ATOM 1599 CE LYS A 99 -8.171 1.003 10.021 1.00 0.00 C ATOM 1600 NZ LYS A 99 -9.228 -0.041 9.915 1.00 0.00 N ATOM 0 H LYS A 99 -6.946 3.233 6.092 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.553 4.043 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.441 4.447 8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.157 4.680 8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.471 2.256 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.729 2.096 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.139 3.142 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.739 2.468 9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.339 0.745 9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.781 1.023 11.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.829 -0.966 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.011 0.191 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.583 -0.078 8.938 1.00 0.00 H new ATOM 1614 N SER A 100 -7.507 6.614 6.129 1.00 0.00 N ATOM 1615 CA SER A 100 -7.429 8.060 5.965 1.00 0.00 C ATOM 1616 C SER A 100 -8.140 8.503 4.691 1.00 0.00 C ATOM 1617 O SER A 100 -8.955 9.426 4.711 1.00 0.00 O ATOM 1618 CB SER A 100 -5.968 8.512 5.930 1.00 0.00 C ATOM 1619 OG SER A 100 -5.321 8.245 7.163 1.00 0.00 O ATOM 0 H SER A 100 -6.602 6.145 6.174 1.00 0.00 H new ATOM 0 HA SER A 100 -7.926 8.524 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.445 7.999 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.919 9.579 5.714 1.00 0.00 H new ATOM 0 HG SER A 100 -4.388 8.542 7.114 1.00 0.00 H new ATOM 1625 N GLN A 101 -7.826 7.837 3.584 1.00 0.00 N ATOM 1626 CA GLN A 101 -8.435 8.162 2.299 1.00 0.00 C ATOM 1627 C GLN A 101 -9.940 8.358 2.444 1.00 0.00 C ATOM 1628 O GLN A 101 -10.551 9.125 1.699 1.00 0.00 O ATOM 1629 CB GLN A 101 -8.148 7.057 1.281 1.00 0.00 C ATOM 1630 CG GLN A 101 -6.675 6.922 0.929 1.00 0.00 C ATOM 1631 CD GLN A 101 -6.456 6.271 -0.423 1.00 0.00 C ATOM 1632 OE1 GLN A 101 -5.821 5.105 -0.422 1.00 0.00 O flip ATOM 1633 NE2 GLN A 101 -6.852 6.810 -1.456 1.00 0.00 N flip ATOM 0 H GLN A 101 -7.154 7.070 3.551 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.998 9.096 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.507 6.107 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.714 7.257 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.213 7.909 0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -6.174 6.333 1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.336 7.707 -1.410 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -6.696 6.360 -2.358 1.00 0.00 H new ATOM 1642 N SER A 102 -10.533 7.659 3.407 1.00 0.00 N ATOM 1643 CA SER A 102 -11.969 7.753 3.646 1.00 0.00 C ATOM 1644 C SER A 102 -12.312 9.038 4.393 1.00 0.00 C ATOM 1645 O SER A 102 -11.425 9.794 4.792 1.00 0.00 O ATOM 1646 CB SER A 102 -12.454 6.541 4.444 1.00 0.00 C ATOM 1647 OG SER A 102 -12.011 5.331 3.854 1.00 0.00 O ATOM 0 H SER A 102 -10.042 7.022 4.034 1.00 0.00 H new ATOM 0 HA SER A 102 -12.473 7.769 2.680 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.087 6.606 5.468 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.543 6.547 4.495 1.00 0.00 H new ATOM 0 HG SER A 102 -12.333 4.572 4.384 1.00 0.00 H new ATOM 1653 N LEU A 103 -13.605 9.280 4.579 1.00 0.00 N ATOM 1654 CA LEU A 103 -14.067 10.474 5.279 1.00 0.00 C ATOM 1655 C LEU A 103 -13.196 11.678 4.935 1.00 0.00 C ATOM 1656 O LEU A 103 -12.738 12.399 5.822 1.00 0.00 O ATOM 1657 CB LEU A 103 -14.060 10.238 6.790 1.00 0.00 C ATOM 1658 CG LEU A 103 -12.725 9.800 7.394 1.00 0.00 C ATOM 1659 CD1 LEU A 103 -12.729 10.003 8.902 1.00 0.00 C ATOM 1660 CD2 LEU A 103 -12.436 8.346 7.051 1.00 0.00 C ATOM 0 H LEU A 103 -14.352 8.666 4.255 1.00 0.00 H new ATOM 0 HA LEU A 103 -15.087 10.683 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -14.375 11.158 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -14.808 9.480 7.023 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.935 10.417 6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.771 9.686 9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.890 11.057 9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.529 9.411 9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.482 8.052 7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.229 7.714 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.389 8.230 5.968 1.00 0.00 H new ATOM 1672 N THR A 104 -12.973 11.891 3.642 1.00 0.00 N ATOM 1673 CA THR A 104 -12.158 13.008 3.181 1.00 0.00 C ATOM 1674 C THR A 104 -12.990 14.279 3.052 1.00 0.00 C ATOM 1675 O THR A 104 -14.213 14.221 2.929 1.00 0.00 O ATOM 1676 CB THR A 104 -11.499 12.699 1.824 1.00 0.00 C ATOM 1677 OG1 THR A 104 -10.684 13.803 1.413 1.00 0.00 O ATOM 1678 CG2 THR A 104 -12.551 12.417 0.763 1.00 0.00 C ATOM 0 H THR A 104 -13.346 11.304 2.895 1.00 0.00 H new ATOM 0 HA THR A 104 -11.379 13.161 3.928 1.00 0.00 H new ATOM 0 HB THR A 104 -10.877 11.812 1.941 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.267 13.598 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.061 12.202 -0.187 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.151 11.559 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 104 -13.196 13.288 0.649 1.00 0.00 H new ATOM 1686 N SER A 105 -12.318 15.425 3.080 1.00 0.00 N ATOM 1687 CA SER A 105 -12.997 16.711 2.970 1.00 0.00 C ATOM 1688 C SER A 105 -13.893 16.748 1.735 1.00 0.00 C ATOM 1689 O SER A 105 -14.961 17.359 1.750 1.00 0.00 O ATOM 1690 CB SER A 105 -11.974 17.848 2.905 1.00 0.00 C ATOM 1691 OG SER A 105 -11.076 17.664 1.825 1.00 0.00 O ATOM 0 H SER A 105 -11.305 15.490 3.178 1.00 0.00 H new ATOM 0 HA SER A 105 -13.620 16.842 3.855 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.491 18.801 2.794 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.417 17.895 3.841 1.00 0.00 H new ATOM 0 HG SER A 105 -10.434 18.404 1.804 1.00 0.00 H new ATOM 1697 N GLN A 106 -13.449 16.090 0.670 1.00 0.00 N ATOM 1698 CA GLN A 106 -14.211 16.047 -0.573 1.00 0.00 C ATOM 1699 C GLN A 106 -15.320 15.004 -0.497 1.00 0.00 C ATOM 1700 O GLN A 106 -15.363 14.196 0.431 1.00 0.00 O ATOM 1701 CB GLN A 106 -13.286 15.740 -1.752 1.00 0.00 C ATOM 1702 CG GLN A 106 -12.477 16.940 -2.219 1.00 0.00 C ATOM 1703 CD GLN A 106 -11.520 16.597 -3.344 1.00 0.00 C ATOM 1704 OE1 GLN A 106 -10.329 16.383 -3.118 1.00 0.00 O ATOM 1705 NE2 GLN A 106 -12.038 16.541 -4.566 1.00 0.00 N ATOM 0 H GLN A 106 -12.566 15.580 0.642 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.668 17.025 -0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.603 14.940 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -13.883 15.369 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.157 17.724 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.913 17.343 -1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.031 16.726 -4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.443 16.313 -5.362 1.00 0.00 H new ATOM 1714 N SER A 107 -16.215 15.026 -1.479 1.00 0.00 N ATOM 1715 CA SER A 107 -17.328 14.084 -1.521 1.00 0.00 C ATOM 1716 C SER A 107 -16.824 12.646 -1.452 1.00 0.00 C ATOM 1717 O SER A 107 -15.965 12.240 -2.234 1.00 0.00 O ATOM 1718 CB SER A 107 -18.149 14.288 -2.795 1.00 0.00 C ATOM 1719 OG SER A 107 -18.598 15.628 -2.904 1.00 0.00 O ATOM 0 H SER A 107 -16.192 15.686 -2.257 1.00 0.00 H new ATOM 0 HA SER A 107 -17.963 14.271 -0.655 1.00 0.00 H new ATOM 0 HB2 SER A 107 -17.545 14.032 -3.665 1.00 0.00 H new ATOM 0 HB3 SER A 107 -19.005 13.614 -2.791 1.00 0.00 H new ATOM 0 HG SER A 107 -19.119 15.733 -3.728 1.00 0.00 H new ATOM 1725 N GLN A 108 -17.366 11.880 -0.509 1.00 0.00 N ATOM 1726 CA GLN A 108 -16.972 10.487 -0.337 1.00 0.00 C ATOM 1727 C GLN A 108 -18.165 9.630 0.072 1.00 0.00 C ATOM 1728 O GLN A 108 -19.265 10.141 0.282 1.00 0.00 O ATOM 1729 CB GLN A 108 -15.865 10.375 0.712 1.00 0.00 C ATOM 1730 CG GLN A 108 -16.358 10.556 2.139 1.00 0.00 C ATOM 1731 CD GLN A 108 -17.115 11.855 2.334 1.00 0.00 C ATOM 1732 OE1 GLN A 108 -18.345 11.868 2.395 1.00 0.00 O ATOM 1733 NE2 GLN A 108 -16.382 12.958 2.433 1.00 0.00 N ATOM 0 H GLN A 108 -18.078 12.201 0.147 1.00 0.00 H new ATOM 0 HA GLN A 108 -16.596 10.121 -1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -15.388 9.399 0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -15.101 11.123 0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -17.004 9.720 2.405 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -15.507 10.530 2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -15.365 12.901 2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -16.836 13.862 2.565 1.00 0.00 H new ATOM 1742 N ALA A 109 -17.940 8.325 0.182 1.00 0.00 N ATOM 1743 CA ALA A 109 -18.997 7.398 0.567 1.00 0.00 C ATOM 1744 C ALA A 109 -18.414 6.100 1.117 1.00 0.00 C ATOM 1745 O ALA A 109 -17.774 5.339 0.392 1.00 0.00 O ATOM 1746 CB ALA A 109 -19.905 7.110 -0.619 1.00 0.00 C ATOM 0 H ALA A 109 -17.036 7.886 0.010 1.00 0.00 H new ATOM 0 HA ALA A 109 -19.586 7.865 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -20.690 6.416 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -20.356 8.040 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -19.321 6.667 -1.426 1.00 0.00 H new ATOM 1752 N SER A 110 -18.641 5.854 2.404 1.00 0.00 N ATOM 1753 CA SER A 110 -18.134 4.650 3.052 1.00 0.00 C ATOM 1754 C SER A 110 -19.167 4.077 4.018 1.00 0.00 C ATOM 1755 O SER A 110 -20.231 4.660 4.224 1.00 0.00 O ATOM 1756 CB SER A 110 -16.835 4.956 3.800 1.00 0.00 C ATOM 1757 OG SER A 110 -16.146 3.764 4.134 1.00 0.00 O ATOM 0 H SER A 110 -19.172 6.472 3.018 1.00 0.00 H new ATOM 0 HA SER A 110 -17.934 3.908 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 110 -16.197 5.588 3.183 1.00 0.00 H new ATOM 0 HB3 SER A 110 -17.058 5.517 4.707 1.00 0.00 H new ATOM 0 HG SER A 110 -15.319 3.987 4.610 1.00 0.00 H new ATOM 1763 N GLY A 111 -18.845 2.930 4.608 1.00 0.00 N ATOM 1764 CA GLY A 111 -19.754 2.297 5.544 1.00 0.00 C ATOM 1765 C GLY A 111 -19.071 1.243 6.393 1.00 0.00 C ATOM 1766 O GLY A 111 -19.087 0.053 6.076 1.00 0.00 O ATOM 0 H GLY A 111 -17.970 2.428 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -20.189 3.057 6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -20.576 1.839 4.994 1.00 0.00 H new ATOM 1770 N PRO A 112 -18.453 1.679 7.500 1.00 0.00 N ATOM 1771 CA PRO A 112 -17.748 0.780 8.420 1.00 0.00 C ATOM 1772 C PRO A 112 -18.702 -0.125 9.191 1.00 0.00 C ATOM 1773 O PRO A 112 -19.921 -0.003 9.071 1.00 0.00 O ATOM 1774 CB PRO A 112 -17.032 1.739 9.374 1.00 0.00 C ATOM 1775 CG PRO A 112 -17.844 2.987 9.337 1.00 0.00 C ATOM 1776 CD PRO A 112 -18.394 3.083 7.941 1.00 0.00 C ATOM 0 HA PRO A 112 -17.077 0.102 7.893 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -16.982 1.329 10.383 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -16.007 1.924 9.053 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -18.648 2.951 10.072 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -17.233 3.857 9.576 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -19.379 3.550 7.928 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.750 3.680 7.296 1.00 0.00 H new ATOM 1784 N SER A 113 -18.140 -1.031 9.984 1.00 0.00 N ATOM 1785 CA SER A 113 -18.942 -1.960 10.773 1.00 0.00 C ATOM 1786 C SER A 113 -18.170 -2.436 12.000 1.00 0.00 C ATOM 1787 O SER A 113 -17.021 -2.050 12.213 1.00 0.00 O ATOM 1788 CB SER A 113 -19.358 -3.159 9.920 1.00 0.00 C ATOM 1789 OG SER A 113 -20.508 -2.861 9.147 1.00 0.00 O ATOM 0 H SER A 113 -17.132 -1.142 10.098 1.00 0.00 H new ATOM 0 HA SER A 113 -19.837 -1.436 11.109 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.537 -3.443 9.262 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.561 -4.015 10.564 1.00 0.00 H new ATOM 0 HG SER A 113 -20.563 -1.893 9.002 1.00 0.00 H new ATOM 1795 N SER A 114 -18.812 -3.279 12.803 1.00 0.00 N ATOM 1796 CA SER A 114 -18.189 -3.806 14.012 1.00 0.00 C ATOM 1797 C SER A 114 -17.936 -2.693 15.023 1.00 0.00 C ATOM 1798 O SER A 114 -16.850 -2.590 15.592 1.00 0.00 O ATOM 1799 CB SER A 114 -16.873 -4.507 13.668 1.00 0.00 C ATOM 1800 OG SER A 114 -16.421 -5.303 14.750 1.00 0.00 O ATOM 0 H SER A 114 -19.762 -3.611 12.638 1.00 0.00 H new ATOM 0 HA SER A 114 -18.872 -4.529 14.458 1.00 0.00 H new ATOM 0 HB2 SER A 114 -17.010 -5.132 12.785 1.00 0.00 H new ATOM 0 HB3 SER A 114 -16.116 -3.764 13.418 1.00 0.00 H new ATOM 0 HG SER A 114 -16.275 -4.735 15.535 1.00 0.00 H new ATOM 1806 N GLY A 115 -18.949 -1.860 15.242 1.00 0.00 N ATOM 1807 CA GLY A 115 -18.817 -0.764 16.185 1.00 0.00 C ATOM 1808 C GLY A 115 -18.268 0.493 15.540 1.00 0.00 C ATOM 1809 O GLY A 115 -18.166 1.536 16.185 1.00 0.00 O ATOM 0 H GLY A 115 -19.858 -1.924 14.784 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -19.791 -0.548 16.624 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -18.160 -1.067 17.000 1.00 0.00 H new TER 1813 GLY A 115