USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 917 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 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 TYR OH : rot -179:sc= -1.78 USER MOD Set 2.2: A 38 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 16 LYS NZ :NH3+ 139:sc=-0.00174 (180deg=0) USER MOD Set 3.2: A 42 TYR OH : rot 180:sc= -0.0264 USER MOD Set 4.1: A 8 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.277) USER MOD Set 4.2: A 98 GLN :FLIP amide:sc= -0.795 F(o=-1.4!,f=-0.79) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0571 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.0848 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 34:sc= 0.188 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 43 SER OG : rot -130:sc= -2.28 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 47 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.26) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.281 F(o=-1,f=-0.28) USER MOD Single : A 58 SER OG : rot 41:sc= 0.0248 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 28:sc= 0.0662 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= -2.1 (180deg=-3!) USER MOD Single : A 77 THR OG1 : rot -66:sc= -0.464 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.147 K(o=-0.15,f=-2.1!) USER MOD Single : A 92 MET CE :methyl 140:sc= -0.217 (180deg=-1.03) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.118 K(o=-0.12,f=-3.4!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -153:sc= -0.112 (180deg=-1.02) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc=-0.00653 X(o=-0.0065,f=-0.26) USER MOD Single : A 108 ASN : amide:sc= 0.00594 X(o=0.0059,f=-0.14) USER MOD Single : A 109 SER OG : rot -63:sc= 0.0457 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.110 8.088 11.558 1.00 0.00 N ATOM 2 CA GLY A 1 -25.141 8.804 10.828 1.00 0.00 C ATOM 3 C GLY A 1 -24.572 9.891 9.938 1.00 0.00 C ATOM 4 O GLY A 1 -23.880 9.604 8.961 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.550 7.356 12.152 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.455 7.641 10.885 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.586 8.754 12.161 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.707 8.099 10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.841 9.248 11.536 1.00 0.00 H new ATOM 8 N SER A 2 -24.864 11.143 10.275 1.00 0.00 N ATOM 9 CA SER A 2 -24.381 12.277 9.496 1.00 0.00 C ATOM 10 C SER A 2 -23.223 12.970 10.206 1.00 0.00 C ATOM 11 O SER A 2 -23.077 12.868 11.424 1.00 0.00 O ATOM 12 CB SER A 2 -25.515 13.274 9.251 1.00 0.00 C ATOM 13 OG SER A 2 -25.270 14.050 8.091 1.00 0.00 O ATOM 0 H SER A 2 -25.433 11.398 11.082 1.00 0.00 H new ATOM 0 HA SER A 2 -24.023 11.902 8.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.458 12.738 9.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.620 13.930 10.115 1.00 0.00 H new ATOM 0 HG SER A 2 -26.010 14.678 7.955 1.00 0.00 H new ATOM 19 N SER A 3 -22.402 13.676 9.435 1.00 0.00 N ATOM 20 CA SER A 3 -21.254 14.385 9.989 1.00 0.00 C ATOM 21 C SER A 3 -20.186 13.403 10.461 1.00 0.00 C ATOM 22 O SER A 3 -19.593 13.577 11.525 1.00 0.00 O ATOM 23 CB SER A 3 -21.691 15.278 11.151 1.00 0.00 C ATOM 24 OG SER A 3 -20.850 16.413 11.267 1.00 0.00 O ATOM 0 H SER A 3 -22.510 13.772 8.425 1.00 0.00 H new ATOM 0 HA SER A 3 -20.829 15.008 9.202 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.721 15.599 10.999 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.668 14.708 12.080 1.00 0.00 H new ATOM 0 HG SER A 3 -21.151 16.968 12.016 1.00 0.00 H new ATOM 30 N GLY A 4 -19.946 12.369 9.660 1.00 0.00 N ATOM 31 CA GLY A 4 -18.950 11.373 10.012 1.00 0.00 C ATOM 32 C GLY A 4 -17.552 11.778 9.590 1.00 0.00 C ATOM 33 O GLY A 4 -17.378 12.525 8.627 1.00 0.00 O ATOM 0 H GLY A 4 -20.423 12.203 8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.968 11.210 11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.208 10.424 9.542 1.00 0.00 H new ATOM 37 N SER A 5 -16.551 11.285 10.313 1.00 0.00 N ATOM 38 CA SER A 5 -15.160 11.604 10.011 1.00 0.00 C ATOM 39 C SER A 5 -14.597 10.644 8.967 1.00 0.00 C ATOM 40 O SER A 5 -14.059 9.590 9.304 1.00 0.00 O ATOM 41 CB SER A 5 -14.314 11.545 11.284 1.00 0.00 C ATOM 42 OG SER A 5 -14.867 12.360 12.303 1.00 0.00 O ATOM 0 H SER A 5 -16.677 10.663 11.112 1.00 0.00 H new ATOM 0 HA SER A 5 -15.124 12.615 9.606 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.249 10.515 11.634 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.298 11.872 11.064 1.00 0.00 H new ATOM 0 HG SER A 5 -14.309 12.303 13.106 1.00 0.00 H new ATOM 48 N SER A 6 -14.726 11.019 7.698 1.00 0.00 N ATOM 49 CA SER A 6 -14.233 10.191 6.603 1.00 0.00 C ATOM 50 C SER A 6 -12.797 10.560 6.246 1.00 0.00 C ATOM 51 O SER A 6 -12.529 11.658 5.760 1.00 0.00 O ATOM 52 CB SER A 6 -15.132 10.345 5.375 1.00 0.00 C ATOM 53 OG SER A 6 -16.360 9.659 5.552 1.00 0.00 O ATOM 0 H SER A 6 -15.167 11.890 7.403 1.00 0.00 H new ATOM 0 HA SER A 6 -14.251 9.151 6.930 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.325 11.402 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.619 9.958 4.494 1.00 0.00 H new ATOM 0 HG SER A 6 -16.917 9.774 4.754 1.00 0.00 H new ATOM 59 N GLY A 7 -11.876 9.633 6.491 1.00 0.00 N ATOM 60 CA GLY A 7 -10.477 9.879 6.190 1.00 0.00 C ATOM 61 C GLY A 7 -9.553 9.387 7.285 1.00 0.00 C ATOM 62 O GLY A 7 -9.207 10.135 8.200 1.00 0.00 O ATOM 0 H GLY A 7 -12.073 8.716 6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.218 9.387 5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.323 10.948 6.042 1.00 0.00 H new ATOM 66 N LYS A 8 -9.152 8.123 7.196 1.00 0.00 N ATOM 67 CA LYS A 8 -8.263 7.529 8.187 1.00 0.00 C ATOM 68 C LYS A 8 -6.850 7.381 7.630 1.00 0.00 C ATOM 69 O LYS A 8 -6.551 6.427 6.912 1.00 0.00 O ATOM 70 CB LYS A 8 -8.795 6.163 8.627 1.00 0.00 C ATOM 71 CG LYS A 8 -8.054 5.577 9.816 1.00 0.00 C ATOM 72 CD LYS A 8 -8.186 4.064 9.864 1.00 0.00 C ATOM 73 CE LYS A 8 -9.544 3.639 10.400 1.00 0.00 C ATOM 74 NZ LYS A 8 -10.549 3.491 9.311 1.00 0.00 N ATOM 0 H LYS A 8 -9.429 7.490 6.446 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.227 8.193 9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.851 6.257 8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.728 5.469 7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.000 5.850 9.760 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.446 6.007 10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.044 3.654 8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.399 3.649 10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.444 2.693 10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.896 4.376 11.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.393 4.054 9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.141 3.825 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.815 2.490 9.218 1.00 0.00 H new ATOM 88 N LYS A 9 -5.984 8.331 7.968 1.00 0.00 N ATOM 89 CA LYS A 9 -4.601 8.305 7.505 1.00 0.00 C ATOM 90 C LYS A 9 -4.046 6.885 7.529 1.00 0.00 C ATOM 91 O LYS A 9 -4.159 6.180 8.533 1.00 0.00 O ATOM 92 CB LYS A 9 -3.734 9.219 8.374 1.00 0.00 C ATOM 93 CG LYS A 9 -3.463 8.661 9.761 1.00 0.00 C ATOM 94 CD LYS A 9 -3.142 9.766 10.753 1.00 0.00 C ATOM 95 CE LYS A 9 -2.233 9.268 11.866 1.00 0.00 C ATOM 96 NZ LYS A 9 -0.796 9.324 11.476 1.00 0.00 N ATOM 0 H LYS A 9 -6.215 9.128 8.561 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.581 8.666 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.784 9.392 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.225 10.187 8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.333 8.102 10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.631 7.958 9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.662 10.595 10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.067 10.151 11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.390 9.871 12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.500 8.243 12.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.209 8.976 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.640 8.729 10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.534 10.306 11.257 1.00 0.00 H new ATOM 110 N LEU A 10 -3.444 6.471 6.419 1.00 0.00 N ATOM 111 CA LEU A 10 -2.868 5.135 6.314 1.00 0.00 C ATOM 112 C LEU A 10 -1.397 5.206 5.919 1.00 0.00 C ATOM 113 O LEU A 10 -1.066 5.444 4.757 1.00 0.00 O ATOM 114 CB LEU A 10 -3.643 4.304 5.289 1.00 0.00 C ATOM 115 CG LEU A 10 -3.059 2.930 4.959 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.224 1.983 6.137 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.717 2.356 3.713 1.00 0.00 C ATOM 0 H LEU A 10 -3.342 7.041 5.579 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.940 4.657 7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.660 4.166 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.714 4.878 4.365 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.994 3.047 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.803 1.010 5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.705 2.388 7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.283 1.870 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.289 1.378 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.789 2.253 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.545 3.025 2.870 1.00 0.00 H new ATOM 129 N CYS A 11 -0.518 4.995 6.893 1.00 0.00 N ATOM 130 CA CYS A 11 0.919 5.033 6.647 1.00 0.00 C ATOM 131 C CYS A 11 1.642 3.982 7.483 1.00 0.00 C ATOM 132 O CYS A 11 1.073 3.418 8.416 1.00 0.00 O ATOM 133 CB CYS A 11 1.475 6.423 6.962 1.00 0.00 C ATOM 134 SG CYS A 11 1.410 6.864 8.715 1.00 0.00 S ATOM 0 H CYS A 11 -0.775 4.796 7.860 1.00 0.00 H new ATOM 0 HA CYS A 11 1.088 4.812 5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.510 6.474 6.624 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.916 7.164 6.391 1.00 0.00 H new ATOM 0 HG CYS A 11 1.904 8.055 8.881 1.00 0.00 H new ATOM 140 N GLY A 12 2.900 3.721 7.138 1.00 0.00 N ATOM 141 CA GLY A 12 3.679 2.737 7.866 1.00 0.00 C ATOM 142 C GLY A 12 4.924 2.311 7.112 1.00 0.00 C ATOM 143 O GLY A 12 4.994 2.445 5.890 1.00 0.00 O ATOM 0 H GLY A 12 3.393 4.173 6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.967 3.149 8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.060 1.862 8.064 1.00 0.00 H new ATOM 147 N TYR A 13 5.908 1.798 7.842 1.00 0.00 N ATOM 148 CA TYR A 13 7.158 1.355 7.235 1.00 0.00 C ATOM 149 C TYR A 13 7.056 -0.096 6.774 1.00 0.00 C ATOM 150 O TYR A 13 6.435 -0.928 7.437 1.00 0.00 O ATOM 151 CB TYR A 13 8.313 1.507 8.227 1.00 0.00 C ATOM 152 CG TYR A 13 8.766 2.937 8.414 1.00 0.00 C ATOM 153 CD1 TYR A 13 9.746 3.489 7.599 1.00 0.00 C ATOM 154 CD2 TYR A 13 8.213 3.737 9.407 1.00 0.00 C ATOM 155 CE1 TYR A 13 10.163 4.795 7.767 1.00 0.00 C ATOM 156 CE2 TYR A 13 8.623 5.045 9.582 1.00 0.00 C ATOM 157 CZ TYR A 13 9.599 5.569 8.760 1.00 0.00 C ATOM 158 OH TYR A 13 10.011 6.871 8.930 1.00 0.00 O ATOM 0 H TYR A 13 5.865 1.679 8.854 1.00 0.00 H new ATOM 0 HA TYR A 13 7.351 1.981 6.364 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.008 1.102 9.192 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.157 0.909 7.883 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.190 2.886 6.820 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.450 3.329 10.053 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.926 5.208 7.124 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.182 5.653 10.358 1.00 0.00 H new ATOM 0 HH TYR A 13 9.514 7.277 9.671 1.00 0.00 H new ATOM 168 N LEU A 14 7.671 -0.392 5.634 1.00 0.00 N ATOM 169 CA LEU A 14 7.651 -1.742 5.083 1.00 0.00 C ATOM 170 C LEU A 14 9.021 -2.126 4.534 1.00 0.00 C ATOM 171 O LEU A 14 9.939 -1.307 4.500 1.00 0.00 O ATOM 172 CB LEU A 14 6.598 -1.848 3.978 1.00 0.00 C ATOM 173 CG LEU A 14 5.146 -1.648 4.413 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.213 -1.735 3.215 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.759 -2.675 5.468 1.00 0.00 C ATOM 0 H LEU A 14 8.189 0.285 5.074 1.00 0.00 H new ATOM 0 HA LEU A 14 7.395 -2.432 5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.831 -1.111 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.685 -2.830 3.514 1.00 0.00 H new ATOM 0 HG LEU A 14 5.051 -0.654 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.184 -1.590 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.475 -0.962 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.310 -2.715 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.722 -2.518 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.870 -3.678 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.407 -2.565 6.338 1.00 0.00 H new ATOM 187 N SER A 15 9.151 -3.377 4.104 1.00 0.00 N ATOM 188 CA SER A 15 10.410 -3.871 3.558 1.00 0.00 C ATOM 189 C SER A 15 10.206 -4.452 2.162 1.00 0.00 C ATOM 190 O SER A 15 9.553 -5.483 1.995 1.00 0.00 O ATOM 191 CB SER A 15 11.010 -4.932 4.482 1.00 0.00 C ATOM 192 OG SER A 15 11.867 -4.344 5.445 1.00 0.00 O ATOM 0 H SER A 15 8.400 -4.067 4.123 1.00 0.00 H new ATOM 0 HA SER A 15 11.101 -3.031 3.485 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.210 -5.475 4.986 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.566 -5.660 3.892 1.00 0.00 H new ATOM 0 HG SER A 15 12.236 -5.043 6.024 1.00 0.00 H new ATOM 198 N LYS A 16 10.768 -3.784 1.161 1.00 0.00 N ATOM 199 CA LYS A 16 10.651 -4.232 -0.221 1.00 0.00 C ATOM 200 C LYS A 16 11.722 -5.267 -0.550 1.00 0.00 C ATOM 201 O LYS A 16 12.894 -5.088 -0.221 1.00 0.00 O ATOM 202 CB LYS A 16 10.766 -3.042 -1.176 1.00 0.00 C ATOM 203 CG LYS A 16 10.124 -3.286 -2.531 1.00 0.00 C ATOM 204 CD LYS A 16 10.252 -2.072 -3.436 1.00 0.00 C ATOM 205 CE LYS A 16 9.301 -2.155 -4.619 1.00 0.00 C ATOM 206 NZ LYS A 16 9.840 -1.450 -5.815 1.00 0.00 N ATOM 0 H LYS A 16 11.310 -2.929 1.282 1.00 0.00 H new ATOM 0 HA LYS A 16 9.672 -4.696 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.302 -2.170 -0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.820 -2.803 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.593 -4.147 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.070 -3.531 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.045 -1.167 -2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.277 -1.993 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.119 -3.201 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.340 -1.720 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.645 -2.013 -6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.385 -0.519 -5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.867 -1.325 -5.710 1.00 0.00 H new ATOM 220 N PHE A 17 11.311 -6.350 -1.202 1.00 0.00 N ATOM 221 CA PHE A 17 12.236 -7.414 -1.576 1.00 0.00 C ATOM 222 C PHE A 17 12.878 -7.125 -2.930 1.00 0.00 C ATOM 223 O PHE A 17 12.221 -6.643 -3.851 1.00 0.00 O ATOM 224 CB PHE A 17 11.507 -8.759 -1.622 1.00 0.00 C ATOM 225 CG PHE A 17 12.433 -9.939 -1.706 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.463 -10.095 -0.792 1.00 0.00 C ATOM 227 CD2 PHE A 17 12.273 -10.892 -2.698 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.316 -11.179 -0.868 1.00 0.00 C ATOM 229 CE2 PHE A 17 13.123 -11.979 -2.779 1.00 0.00 C ATOM 230 CZ PHE A 17 14.145 -12.123 -1.862 1.00 0.00 C ATOM 0 H PHE A 17 10.344 -6.514 -1.482 1.00 0.00 H new ATOM 0 HA PHE A 17 13.022 -7.460 -0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.886 -8.857 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.837 -8.771 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.600 -9.361 -0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.474 -10.785 -3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 17 15.116 -11.288 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.988 -12.714 -3.558 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.810 -12.972 -1.922 1.00 0.00 H new ATOM 240 N GLY A 18 14.169 -7.422 -3.041 1.00 0.00 N ATOM 241 CA GLY A 18 14.881 -7.187 -4.284 1.00 0.00 C ATOM 242 C GLY A 18 14.795 -5.743 -4.737 1.00 0.00 C ATOM 243 O GLY A 18 14.110 -5.430 -5.710 1.00 0.00 O ATOM 0 H GLY A 18 14.735 -7.821 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.928 -7.463 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.473 -7.833 -5.061 1.00 0.00 H new ATOM 247 N GLY A 19 15.491 -4.859 -4.028 1.00 0.00 N ATOM 248 CA GLY A 19 15.475 -3.451 -4.377 1.00 0.00 C ATOM 249 C GLY A 19 16.146 -3.176 -5.708 1.00 0.00 C ATOM 250 O GLY A 19 16.317 -4.081 -6.524 1.00 0.00 O ATOM 0 H GLY A 19 16.065 -5.093 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.443 -3.101 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.977 -2.880 -3.596 1.00 0.00 H new ATOM 254 N LYS A 20 16.525 -1.922 -5.929 1.00 0.00 N ATOM 255 CA LYS A 20 17.181 -1.528 -7.171 1.00 0.00 C ATOM 256 C LYS A 20 18.306 -2.496 -7.522 1.00 0.00 C ATOM 257 O LYS A 20 18.423 -2.939 -8.664 1.00 0.00 O ATOM 258 CB LYS A 20 17.735 -0.107 -7.051 1.00 0.00 C ATOM 259 CG LYS A 20 18.147 0.499 -8.381 1.00 0.00 C ATOM 260 CD LYS A 20 19.170 1.608 -8.196 1.00 0.00 C ATOM 261 CE LYS A 20 18.502 2.933 -7.863 1.00 0.00 C ATOM 262 NZ LYS A 20 19.483 4.052 -7.813 1.00 0.00 N ATOM 0 H LYS A 20 16.389 -1.160 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 20 16.439 -1.555 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.981 0.530 -6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.597 -0.117 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.563 -0.278 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.268 0.895 -8.889 1.00 0.00 H new ATOM 0 HD2 LYS A 20 19.861 1.337 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 20 19.760 1.716 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.739 3.152 -8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.994 2.852 -6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.988 4.937 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.197 3.855 -7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.950 4.146 -8.738 1.00 0.00 H new ATOM 276 N GLY A 21 19.132 -2.822 -6.532 1.00 0.00 N ATOM 277 CA GLY A 21 20.236 -3.736 -6.757 1.00 0.00 C ATOM 278 C GLY A 21 19.779 -5.072 -7.310 1.00 0.00 C ATOM 279 O GLY A 21 18.601 -5.423 -7.248 1.00 0.00 O ATOM 0 H GLY A 21 19.056 -2.469 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 21 20.944 -3.282 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 21 20.767 -3.897 -5.819 1.00 0.00 H new ATOM 283 N PRO A 22 20.726 -5.841 -7.868 1.00 0.00 N ATOM 284 CA PRO A 22 20.439 -7.157 -8.446 1.00 0.00 C ATOM 285 C PRO A 22 20.085 -8.192 -7.383 1.00 0.00 C ATOM 286 O PRO A 22 19.086 -8.901 -7.502 1.00 0.00 O ATOM 287 CB PRO A 22 21.749 -7.532 -9.143 1.00 0.00 C ATOM 288 CG PRO A 22 22.799 -6.770 -8.411 1.00 0.00 C ATOM 289 CD PRO A 22 22.151 -5.485 -7.976 1.00 0.00 C ATOM 0 HA PRO A 22 19.578 -7.130 -9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 22 21.931 -8.605 -9.092 1.00 0.00 H new ATOM 0 HB3 PRO A 22 21.727 -7.262 -10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 22 23.163 -7.334 -7.552 1.00 0.00 H new ATOM 0 HG3 PRO A 22 23.659 -6.576 -9.052 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.551 -5.135 -7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 22 22.312 -4.688 -8.702 1.00 0.00 H new ATOM 297 N ILE A 23 20.911 -8.273 -6.345 1.00 0.00 N ATOM 298 CA ILE A 23 20.684 -9.220 -5.261 1.00 0.00 C ATOM 299 C ILE A 23 19.237 -9.170 -4.781 1.00 0.00 C ATOM 300 O ILE A 23 18.495 -8.245 -5.110 1.00 0.00 O ATOM 301 CB ILE A 23 21.618 -8.946 -4.068 1.00 0.00 C ATOM 302 CG1 ILE A 23 21.189 -7.671 -3.339 1.00 0.00 C ATOM 303 CG2 ILE A 23 23.060 -8.833 -4.540 1.00 0.00 C ATOM 304 CD1 ILE A 23 21.292 -6.425 -4.189 1.00 0.00 C ATOM 0 H ILE A 23 21.743 -7.694 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 23 20.899 -10.212 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 23 21.548 -9.781 -3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 23 20.160 -7.785 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 23 21.806 -7.546 -2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 23 23.708 -8.639 -3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 23 23.360 -9.765 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 23 23.146 -8.014 -5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 23 20.972 -5.560 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.325 -6.286 -4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 23 20.653 -6.529 -5.066 1.00 0.00 H new ATOM 316 N ARG A 24 18.844 -10.171 -4.000 1.00 0.00 N ATOM 317 CA ARG A 24 17.486 -10.240 -3.473 1.00 0.00 C ATOM 318 C ARG A 24 17.493 -10.213 -1.948 1.00 0.00 C ATOM 319 O ARG A 24 17.698 -11.238 -1.299 1.00 0.00 O ATOM 320 CB ARG A 24 16.789 -11.509 -3.968 1.00 0.00 C ATOM 321 CG ARG A 24 16.369 -11.443 -5.427 1.00 0.00 C ATOM 322 CD ARG A 24 15.212 -10.477 -5.631 1.00 0.00 C ATOM 323 NE ARG A 24 14.722 -10.492 -7.006 1.00 0.00 N ATOM 324 CZ ARG A 24 15.407 -10.007 -8.036 1.00 0.00 C ATOM 325 NH1 ARG A 24 16.605 -9.472 -7.846 1.00 0.00 N ATOM 326 NH2 ARG A 24 14.894 -10.056 -9.258 1.00 0.00 N ATOM 0 H ARG A 24 19.446 -10.945 -3.718 1.00 0.00 H new ATOM 0 HA ARG A 24 16.938 -9.369 -3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 24 17.458 -12.358 -3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.908 -11.693 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.217 -11.131 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.079 -12.437 -5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.399 -10.737 -4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.532 -9.468 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 24 13.803 -10.897 -7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.003 -9.432 -6.908 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.129 -9.100 -8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.972 -10.466 -9.408 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.421 -9.683 -10.048 1.00 0.00 H new ATOM 340 N GLY A 25 17.266 -9.032 -1.381 1.00 0.00 N ATOM 341 CA GLY A 25 17.251 -8.893 0.064 1.00 0.00 C ATOM 342 C GLY A 25 16.307 -7.802 0.531 1.00 0.00 C ATOM 343 O GLY A 25 16.116 -6.801 -0.158 1.00 0.00 O ATOM 0 H GLY A 25 17.092 -8.169 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.957 -9.841 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.259 -8.672 0.415 1.00 0.00 H new ATOM 347 N TRP A 26 15.715 -7.997 1.704 1.00 0.00 N ATOM 348 CA TRP A 26 14.785 -7.023 2.262 1.00 0.00 C ATOM 349 C TRP A 26 15.509 -5.737 2.645 1.00 0.00 C ATOM 350 O TRP A 26 16.607 -5.772 3.201 1.00 0.00 O ATOM 351 CB TRP A 26 14.075 -7.606 3.484 1.00 0.00 C ATOM 352 CG TRP A 26 13.306 -8.858 3.184 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.726 -10.143 3.375 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.986 -8.942 2.636 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.746 -11.022 2.979 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.668 -10.310 2.523 1.00 0.00 C ATOM 357 CE3 TRP A 26 11.040 -7.996 2.233 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.446 -10.751 2.023 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.828 -8.435 1.736 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.539 -9.802 1.635 1.00 0.00 C ATOM 0 H TRP A 26 15.863 -8.821 2.287 1.00 0.00 H new ATOM 0 HA TRP A 26 14.044 -6.787 1.499 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.813 -7.818 4.257 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.394 -6.858 3.890 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.687 -10.427 3.778 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.811 -12.039 3.018 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.253 -6.940 2.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.221 -11.804 1.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.091 -7.712 1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.582 -10.113 1.243 1.00 0.00 H new ATOM 371 N LYS A 27 14.887 -4.601 2.346 1.00 0.00 N ATOM 372 CA LYS A 27 15.471 -3.303 2.660 1.00 0.00 C ATOM 373 C LYS A 27 14.447 -2.394 3.333 1.00 0.00 C ATOM 374 O LYS A 27 13.312 -2.275 2.873 1.00 0.00 O ATOM 375 CB LYS A 27 16.001 -2.637 1.388 1.00 0.00 C ATOM 376 CG LYS A 27 17.151 -3.390 0.741 1.00 0.00 C ATOM 377 CD LYS A 27 18.467 -3.109 1.446 1.00 0.00 C ATOM 378 CE LYS A 27 18.947 -1.690 1.186 1.00 0.00 C ATOM 379 NZ LYS A 27 20.314 -1.458 1.730 1.00 0.00 N ATOM 0 H LYS A 27 13.978 -4.554 1.886 1.00 0.00 H new ATOM 0 HA LYS A 27 16.299 -3.463 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.187 -2.547 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.329 -1.625 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.946 -4.460 0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.230 -3.104 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.346 -3.263 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.222 -3.818 1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.946 -1.497 0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.251 -0.983 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.605 -0.479 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.310 -1.617 2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.983 -2.115 1.280 1.00 0.00 H new ATOM 393 N SER A 28 14.857 -1.755 4.424 1.00 0.00 N ATOM 394 CA SER A 28 13.974 -0.858 5.162 1.00 0.00 C ATOM 395 C SER A 28 13.505 0.292 4.276 1.00 0.00 C ATOM 396 O SER A 28 14.311 1.094 3.803 1.00 0.00 O ATOM 397 CB SER A 28 14.688 -0.308 6.397 1.00 0.00 C ATOM 398 OG SER A 28 15.949 0.241 6.055 1.00 0.00 O ATOM 0 H SER A 28 15.794 -1.841 4.817 1.00 0.00 H new ATOM 0 HA SER A 28 13.101 -1.427 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.070 0.457 6.867 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.821 -1.105 7.129 1.00 0.00 H new ATOM 0 HG SER A 28 15.899 0.647 5.164 1.00 0.00 H new ATOM 404 N ARG A 29 12.196 0.366 4.057 1.00 0.00 N ATOM 405 CA ARG A 29 11.619 1.417 3.227 1.00 0.00 C ATOM 406 C ARG A 29 10.363 1.993 3.876 1.00 0.00 C ATOM 407 O ARG A 29 9.738 1.350 4.719 1.00 0.00 O ATOM 408 CB ARG A 29 11.285 0.873 1.837 1.00 0.00 C ATOM 409 CG ARG A 29 12.502 0.693 0.945 1.00 0.00 C ATOM 410 CD ARG A 29 13.079 2.032 0.513 1.00 0.00 C ATOM 411 NE ARG A 29 14.070 2.533 1.463 1.00 0.00 N ATOM 412 CZ ARG A 29 15.329 2.111 1.503 1.00 0.00 C ATOM 413 NH1 ARG A 29 15.749 1.186 0.651 1.00 0.00 N ATOM 414 NH2 ARG A 29 16.170 2.615 2.397 1.00 0.00 N ATOM 0 H ARG A 29 11.516 -0.289 4.442 1.00 0.00 H new ATOM 0 HA ARG A 29 12.355 2.215 3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.778 -0.086 1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.585 1.551 1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.263 0.122 1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.226 0.113 0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.539 1.929 -0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.273 2.759 0.413 1.00 0.00 H new ATOM 0 HE ARG A 29 13.779 3.246 2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.105 0.797 -0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.716 0.864 0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.850 3.327 3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.137 2.291 2.427 1.00 0.00 H new ATOM 428 N TRP A 30 10.001 3.206 3.476 1.00 0.00 N ATOM 429 CA TRP A 30 8.820 3.869 4.019 1.00 0.00 C ATOM 430 C TRP A 30 7.683 3.871 3.004 1.00 0.00 C ATOM 431 O TRP A 30 7.891 4.157 1.824 1.00 0.00 O ATOM 432 CB TRP A 30 9.158 5.303 4.428 1.00 0.00 C ATOM 433 CG TRP A 30 7.948 6.169 4.610 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.521 7.166 3.780 1.00 0.00 C ATOM 435 CD2 TRP A 30 7.011 6.116 5.692 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.375 7.736 4.280 1.00 0.00 N ATOM 437 CE2 TRP A 30 6.042 7.109 5.451 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.896 5.326 6.838 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.974 7.331 6.317 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.836 5.547 7.696 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.885 6.543 7.432 1.00 0.00 C ATOM 0 H TRP A 30 10.507 3.751 2.778 1.00 0.00 H new ATOM 0 HA TRP A 30 8.495 3.315 4.900 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.726 5.284 5.358 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.803 5.747 3.670 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.012 7.463 2.865 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.857 8.502 3.849 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.623 4.556 7.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.241 8.099 6.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.738 4.942 8.585 1.00 0.00 H new ATOM 0 HH2 TRP A 30 4.067 6.691 8.122 1.00 0.00 H new ATOM 452 N PHE A 31 6.480 3.551 3.469 1.00 0.00 N ATOM 453 CA PHE A 31 5.309 3.516 2.600 1.00 0.00 C ATOM 454 C PHE A 31 4.174 4.354 3.182 1.00 0.00 C ATOM 455 O PHE A 31 3.973 4.388 4.396 1.00 0.00 O ATOM 456 CB PHE A 31 4.841 2.073 2.398 1.00 0.00 C ATOM 457 CG PHE A 31 5.744 1.269 1.506 1.00 0.00 C ATOM 458 CD1 PHE A 31 7.001 0.881 1.940 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.334 0.901 0.235 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.834 0.142 1.121 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.163 0.161 -0.588 1.00 0.00 C ATOM 462 CZ PHE A 31 7.414 -0.219 -0.144 1.00 0.00 C ATOM 0 H PHE A 31 6.290 3.312 4.442 1.00 0.00 H new ATOM 0 HA PHE A 31 5.591 3.938 1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.772 1.583 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.837 2.081 1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.334 1.159 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.356 1.195 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.813 -0.153 1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.832 -0.119 -1.577 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.063 -0.798 -0.785 1.00 0.00 H new ATOM 472 N PHE A 32 3.436 5.028 2.307 1.00 0.00 N ATOM 473 CA PHE A 32 2.323 5.868 2.733 1.00 0.00 C ATOM 474 C PHE A 32 1.299 6.024 1.612 1.00 0.00 C ATOM 475 O PHE A 32 1.659 6.247 0.455 1.00 0.00 O ATOM 476 CB PHE A 32 2.831 7.243 3.170 1.00 0.00 C ATOM 477 CG PHE A 32 3.101 8.175 2.024 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.057 8.793 1.355 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.400 8.431 1.613 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.302 9.652 0.300 1.00 0.00 C ATOM 481 CE2 PHE A 32 4.651 9.289 0.559 1.00 0.00 C ATOM 482 CZ PHE A 32 3.601 9.899 -0.099 1.00 0.00 C ATOM 0 H PHE A 32 3.588 5.009 1.299 1.00 0.00 H new ATOM 0 HA PHE A 32 1.838 5.382 3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.096 7.699 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.746 7.116 3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.039 8.601 1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.225 7.955 2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.479 10.129 -0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.668 9.482 0.250 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.795 10.568 -0.924 1.00 0.00 H new ATOM 492 N TYR A 33 0.024 5.906 1.962 1.00 0.00 N ATOM 493 CA TYR A 33 -1.052 6.031 0.986 1.00 0.00 C ATOM 494 C TYR A 33 -1.436 7.493 0.783 1.00 0.00 C ATOM 495 O TYR A 33 -1.652 8.230 1.745 1.00 0.00 O ATOM 496 CB TYR A 33 -2.274 5.229 1.438 1.00 0.00 C ATOM 497 CG TYR A 33 -3.513 5.498 0.613 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.390 6.520 0.954 1.00 0.00 C ATOM 499 CD2 TYR A 33 -3.806 4.729 -0.506 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.523 6.768 0.204 1.00 0.00 C ATOM 501 CE2 TYR A 33 -4.936 4.971 -1.263 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.792 5.992 -0.904 1.00 0.00 C ATOM 503 OH TYR A 33 -6.919 6.235 -1.655 1.00 0.00 O ATOM 0 H TYR A 33 -0.290 5.724 2.915 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.695 5.633 0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.039 4.166 1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.485 5.461 2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.182 7.131 1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.139 3.928 -0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.195 7.566 0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.148 4.364 -2.131 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.967 5.590 -2.391 1.00 0.00 H new ATOM 513 N ASP A 34 -1.519 7.906 -0.477 1.00 0.00 N ATOM 514 CA ASP A 34 -1.878 9.280 -0.810 1.00 0.00 C ATOM 515 C ASP A 34 -3.342 9.372 -1.229 1.00 0.00 C ATOM 516 O ASP A 34 -3.692 9.060 -2.367 1.00 0.00 O ATOM 517 CB ASP A 34 -0.979 9.808 -1.929 1.00 0.00 C ATOM 518 CG ASP A 34 -0.788 11.310 -1.857 1.00 0.00 C ATOM 519 OD1 ASP A 34 -0.527 11.822 -0.749 1.00 0.00 O ATOM 520 OD2 ASP A 34 -0.900 11.973 -2.910 1.00 0.00 O ATOM 0 H ASP A 34 -1.343 7.309 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.734 9.893 0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.007 9.318 -1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.413 9.545 -2.894 1.00 0.00 H new ATOM 525 N GLU A 35 -4.192 9.802 -0.302 1.00 0.00 N ATOM 526 CA GLU A 35 -5.618 9.933 -0.576 1.00 0.00 C ATOM 527 C GLU A 35 -5.879 11.055 -1.576 1.00 0.00 C ATOM 528 O GLU A 35 -7.009 11.253 -2.023 1.00 0.00 O ATOM 529 CB GLU A 35 -6.386 10.202 0.720 1.00 0.00 C ATOM 530 CG GLU A 35 -5.943 11.465 1.440 1.00 0.00 C ATOM 531 CD GLU A 35 -6.662 11.667 2.759 1.00 0.00 C ATOM 532 OE1 GLU A 35 -7.901 11.511 2.789 1.00 0.00 O ATOM 533 OE2 GLU A 35 -5.987 11.982 3.761 1.00 0.00 O ATOM 0 H GLU A 35 -3.918 10.065 0.645 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.966 8.995 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.449 10.277 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.262 9.350 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.869 11.419 1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.122 12.327 0.797 1.00 0.00 H new ATOM 540 N ARG A 36 -4.825 11.788 -1.923 1.00 0.00 N ATOM 541 CA ARG A 36 -4.939 12.891 -2.869 1.00 0.00 C ATOM 542 C ARG A 36 -5.193 12.372 -4.281 1.00 0.00 C ATOM 543 O ARG A 36 -6.035 12.901 -5.007 1.00 0.00 O ATOM 544 CB ARG A 36 -3.669 13.743 -2.848 1.00 0.00 C ATOM 545 CG ARG A 36 -3.720 14.887 -1.849 1.00 0.00 C ATOM 546 CD ARG A 36 -4.224 16.169 -2.494 1.00 0.00 C ATOM 547 NE ARG A 36 -4.036 17.329 -1.627 1.00 0.00 N ATOM 548 CZ ARG A 36 -2.866 17.931 -1.448 1.00 0.00 C ATOM 549 NH1 ARG A 36 -1.785 17.486 -2.074 1.00 0.00 N ATOM 550 NH2 ARG A 36 -2.776 18.982 -0.643 1.00 0.00 N ATOM 0 H ARG A 36 -3.883 11.637 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.786 13.507 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.817 13.105 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.498 14.150 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.371 14.617 -1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.726 15.054 -1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.699 16.331 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.282 16.063 -2.733 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.848 17.697 -1.132 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.851 16.679 -2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.888 17.950 -1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.606 19.328 -0.161 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.877 19.444 -0.506 1.00 0.00 H new ATOM 564 N LYS A 37 -4.459 11.333 -4.665 1.00 0.00 N ATOM 565 CA LYS A 37 -4.603 10.741 -5.990 1.00 0.00 C ATOM 566 C LYS A 37 -5.066 9.291 -5.890 1.00 0.00 C ATOM 567 O LYS A 37 -5.048 8.555 -6.877 1.00 0.00 O ATOM 568 CB LYS A 37 -3.277 10.813 -6.751 1.00 0.00 C ATOM 569 CG LYS A 37 -2.579 12.156 -6.630 1.00 0.00 C ATOM 570 CD LYS A 37 -1.489 12.314 -7.677 1.00 0.00 C ATOM 571 CE LYS A 37 -0.588 13.500 -7.369 1.00 0.00 C ATOM 572 NZ LYS A 37 0.535 13.610 -8.340 1.00 0.00 N ATOM 0 H LYS A 37 -3.758 10.883 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.358 11.309 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.612 10.033 -6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.460 10.602 -7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.309 12.958 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.146 12.254 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.891 11.404 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.943 12.446 -8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.176 14.418 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.187 13.399 -6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.126 14.430 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.111 12.745 -8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.153 13.732 -9.300 1.00 0.00 H new ATOM 586 N CYS A 38 -5.482 8.889 -4.694 1.00 0.00 N ATOM 587 CA CYS A 38 -5.951 7.527 -4.466 1.00 0.00 C ATOM 588 C CYS A 38 -4.895 6.510 -4.889 1.00 0.00 C ATOM 589 O CYS A 38 -5.184 5.576 -5.636 1.00 0.00 O ATOM 590 CB CYS A 38 -7.251 7.278 -5.232 1.00 0.00 C ATOM 591 SG CYS A 38 -8.746 7.703 -4.306 1.00 0.00 S ATOM 0 H CYS A 38 -5.504 9.487 -3.868 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.138 7.408 -3.399 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.232 7.856 -6.156 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.298 6.226 -5.515 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.793 7.460 -5.037 1.00 0.00 H new ATOM 597 N GLN A 39 -3.671 6.701 -4.407 1.00 0.00 N ATOM 598 CA GLN A 39 -2.572 5.802 -4.738 1.00 0.00 C ATOM 599 C GLN A 39 -1.710 5.522 -3.511 1.00 0.00 C ATOM 600 O GLN A 39 -1.957 6.058 -2.430 1.00 0.00 O ATOM 601 CB GLN A 39 -1.714 6.400 -5.854 1.00 0.00 C ATOM 602 CG GLN A 39 -2.383 6.370 -7.218 1.00 0.00 C ATOM 603 CD GLN A 39 -1.447 6.783 -8.337 1.00 0.00 C ATOM 604 OE1 GLN A 39 -1.187 7.970 -8.538 1.00 0.00 O ATOM 605 NE2 GLN A 39 -0.934 5.803 -9.072 1.00 0.00 N ATOM 0 H GLN A 39 -3.416 7.469 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.998 4.860 -5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.471 7.432 -5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.772 5.854 -5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.755 5.364 -7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.247 7.034 -7.209 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.177 4.833 -8.870 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.297 6.020 -9.838 1.00 0.00 H new ATOM 614 N LEU A 40 -0.697 4.680 -3.686 1.00 0.00 N ATOM 615 CA LEU A 40 0.203 4.329 -2.592 1.00 0.00 C ATOM 616 C LEU A 40 1.629 4.775 -2.897 1.00 0.00 C ATOM 617 O LEU A 40 2.325 4.157 -3.703 1.00 0.00 O ATOM 618 CB LEU A 40 0.170 2.820 -2.344 1.00 0.00 C ATOM 619 CG LEU A 40 1.150 2.291 -1.296 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.756 2.768 0.093 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.212 0.771 -1.343 1.00 0.00 C ATOM 0 H LEU A 40 -0.478 4.228 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.135 4.846 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.840 2.544 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.369 2.312 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 40 2.142 2.682 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.465 2.381 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.765 3.858 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.245 2.407 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.914 0.412 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.223 0.360 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.544 0.451 -2.331 1.00 0.00 H new ATOM 633 N TYR A 41 2.059 5.850 -2.245 1.00 0.00 N ATOM 634 CA TYR A 41 3.403 6.379 -2.447 1.00 0.00 C ATOM 635 C TYR A 41 4.357 5.865 -1.372 1.00 0.00 C ATOM 636 O TYR A 41 4.026 5.854 -0.186 1.00 0.00 O ATOM 637 CB TYR A 41 3.379 7.908 -2.434 1.00 0.00 C ATOM 638 CG TYR A 41 2.740 8.513 -3.664 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.364 8.460 -3.853 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.511 9.139 -4.635 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.776 9.011 -4.975 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.932 9.694 -5.760 1.00 0.00 C ATOM 643 CZ TYR A 41 1.564 9.627 -5.925 1.00 0.00 C ATOM 644 OH TYR A 41 0.982 10.178 -7.044 1.00 0.00 O ATOM 0 H TYR A 41 1.497 6.372 -1.573 1.00 0.00 H new ATOM 0 HA TYR A 41 3.759 6.036 -3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.839 8.247 -1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.400 8.279 -2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.744 7.980 -3.110 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.582 9.193 -4.508 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.295 8.960 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.546 10.177 -6.505 1.00 0.00 H new ATOM 0 HH TYR A 41 1.676 10.574 -7.612 1.00 0.00 H new ATOM 654 N TYR A 42 5.542 5.442 -1.796 1.00 0.00 N ATOM 655 CA TYR A 42 6.545 4.926 -0.872 1.00 0.00 C ATOM 656 C TYR A 42 7.909 5.552 -1.143 1.00 0.00 C ATOM 657 O TYR A 42 8.359 5.616 -2.287 1.00 0.00 O ATOM 658 CB TYR A 42 6.638 3.403 -0.987 1.00 0.00 C ATOM 659 CG TYR A 42 7.125 2.926 -2.337 1.00 0.00 C ATOM 660 CD1 TYR A 42 6.233 2.693 -3.376 1.00 0.00 C ATOM 661 CD2 TYR A 42 8.477 2.709 -2.572 1.00 0.00 C ATOM 662 CE1 TYR A 42 6.674 2.257 -4.611 1.00 0.00 C ATOM 663 CE2 TYR A 42 8.927 2.274 -3.804 1.00 0.00 C ATOM 664 CZ TYR A 42 8.021 2.049 -4.820 1.00 0.00 C ATOM 665 OH TYR A 42 8.464 1.616 -6.049 1.00 0.00 O ATOM 0 H TYR A 42 5.832 5.446 -2.774 1.00 0.00 H new ATOM 0 HA TYR A 42 6.240 5.190 0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.310 3.029 -0.215 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.656 2.972 -0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.177 2.855 -3.216 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.188 2.883 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 42 5.967 2.080 -5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.982 2.111 -3.971 1.00 0.00 H new ATOM 0 HH TYR A 42 9.439 1.520 -6.030 1.00 0.00 H new ATOM 675 N SER A 43 8.563 6.012 -0.081 1.00 0.00 N ATOM 676 CA SER A 43 9.875 6.637 -0.203 1.00 0.00 C ATOM 677 C SER A 43 10.860 6.030 0.792 1.00 0.00 C ATOM 678 O SER A 43 10.534 5.081 1.505 1.00 0.00 O ATOM 679 CB SER A 43 9.768 8.146 0.024 1.00 0.00 C ATOM 680 OG SER A 43 9.781 8.456 1.406 1.00 0.00 O ATOM 0 H SER A 43 8.206 5.964 0.873 1.00 0.00 H new ATOM 0 HA SER A 43 10.245 6.454 -1.212 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.596 8.651 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.849 8.521 -0.427 1.00 0.00 H new ATOM 0 HG SER A 43 9.033 9.053 1.614 1.00 0.00 H new ATOM 686 N ARG A 44 12.067 6.585 0.834 1.00 0.00 N ATOM 687 CA ARG A 44 13.100 6.099 1.740 1.00 0.00 C ATOM 688 C ARG A 44 12.721 6.370 3.193 1.00 0.00 C ATOM 689 O ARG A 44 12.805 5.484 4.044 1.00 0.00 O ATOM 690 CB ARG A 44 14.442 6.762 1.420 1.00 0.00 C ATOM 691 CG ARG A 44 14.792 6.746 -0.059 1.00 0.00 C ATOM 692 CD ARG A 44 15.730 7.886 -0.422 1.00 0.00 C ATOM 693 NE ARG A 44 17.133 7.506 -0.286 1.00 0.00 N ATOM 694 CZ ARG A 44 18.125 8.115 -0.925 1.00 0.00 C ATOM 695 NH1 ARG A 44 17.869 9.129 -1.740 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.377 7.711 -0.749 1.00 0.00 N ATOM 0 H ARG A 44 12.353 7.372 0.251 1.00 0.00 H new ATOM 0 HA ARG A 44 13.192 5.022 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.420 7.795 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.230 6.255 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.259 5.794 -0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.880 6.822 -0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.538 8.201 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.523 8.743 0.219 1.00 0.00 H new ATOM 0 HE ARG A 44 17.364 6.730 0.334 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.908 9.443 -1.877 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.633 9.595 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.578 6.932 -0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 44 20.138 8.180 -1.241 1.00 0.00 H new ATOM 710 N THR A 45 12.303 7.601 3.471 1.00 0.00 N ATOM 711 CA THR A 45 11.912 7.989 4.820 1.00 0.00 C ATOM 712 C THR A 45 10.464 8.464 4.858 1.00 0.00 C ATOM 713 O THR A 45 9.756 8.408 3.853 1.00 0.00 O ATOM 714 CB THR A 45 12.821 9.105 5.369 1.00 0.00 C ATOM 715 OG1 THR A 45 12.568 10.331 4.673 1.00 0.00 O ATOM 716 CG2 THR A 45 14.288 8.728 5.225 1.00 0.00 C ATOM 0 H THR A 45 12.227 8.347 2.779 1.00 0.00 H new ATOM 0 HA THR A 45 12.017 7.103 5.447 1.00 0.00 H new ATOM 0 HB THR A 45 12.598 9.236 6.428 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.149 11.035 5.029 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.910 9.531 5.619 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.484 7.811 5.780 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.522 8.572 4.172 1.00 0.00 H new ATOM 724 N ALA A 46 10.031 8.933 6.024 1.00 0.00 N ATOM 725 CA ALA A 46 8.667 9.421 6.191 1.00 0.00 C ATOM 726 C ALA A 46 8.585 10.921 5.932 1.00 0.00 C ATOM 727 O ALA A 46 7.497 11.495 5.899 1.00 0.00 O ATOM 728 CB ALA A 46 8.158 9.095 7.588 1.00 0.00 C ATOM 0 H ALA A 46 10.604 8.985 6.866 1.00 0.00 H new ATOM 0 HA ALA A 46 8.035 8.918 5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.139 9.465 7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.171 8.015 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.800 9.571 8.329 1.00 0.00 H new ATOM 734 N GLN A 47 9.742 11.550 5.750 1.00 0.00 N ATOM 735 CA GLN A 47 9.799 12.984 5.495 1.00 0.00 C ATOM 736 C GLN A 47 10.414 13.270 4.129 1.00 0.00 C ATOM 737 O GLN A 47 11.002 14.330 3.912 1.00 0.00 O ATOM 738 CB GLN A 47 10.607 13.686 6.589 1.00 0.00 C ATOM 739 CG GLN A 47 9.889 13.754 7.927 1.00 0.00 C ATOM 740 CD GLN A 47 8.527 14.411 7.825 1.00 0.00 C ATOM 741 OE1 GLN A 47 8.421 15.605 7.541 1.00 0.00 O ATOM 742 NE2 GLN A 47 7.475 13.634 8.057 1.00 0.00 N ATOM 0 H GLN A 47 10.652 11.089 5.774 1.00 0.00 H new ATOM 0 HA GLN A 47 8.780 13.370 5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.555 13.164 6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.844 14.698 6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.773 12.746 8.325 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.503 14.308 8.637 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.609 12.650 8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.533 14.021 8.003 1.00 0.00 H new ATOM 751 N ASP A 48 10.275 12.319 3.213 1.00 0.00 N ATOM 752 CA ASP A 48 10.817 12.469 1.867 1.00 0.00 C ATOM 753 C ASP A 48 9.977 13.446 1.049 1.00 0.00 C ATOM 754 O ASP A 48 8.989 13.059 0.426 1.00 0.00 O ATOM 755 CB ASP A 48 10.874 11.113 1.163 1.00 0.00 C ATOM 756 CG ASP A 48 12.010 11.027 0.162 1.00 0.00 C ATOM 757 OD1 ASP A 48 12.070 11.886 -0.742 1.00 0.00 O ATOM 758 OD2 ASP A 48 12.838 10.100 0.283 1.00 0.00 O ATOM 0 H ASP A 48 9.792 11.436 3.377 1.00 0.00 H new ATOM 0 HA ASP A 48 11.828 12.868 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.989 10.325 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.929 10.933 0.651 1.00 0.00 H new ATOM 763 N ALA A 49 10.377 14.713 1.058 1.00 0.00 N ATOM 764 CA ALA A 49 9.663 15.745 0.316 1.00 0.00 C ATOM 765 C ALA A 49 9.078 15.186 -0.977 1.00 0.00 C ATOM 766 O ALA A 49 7.958 15.523 -1.358 1.00 0.00 O ATOM 767 CB ALA A 49 10.587 16.916 0.017 1.00 0.00 C ATOM 0 H ALA A 49 11.192 15.050 1.571 1.00 0.00 H new ATOM 0 HA ALA A 49 8.838 16.097 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.040 17.679 -0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.952 17.339 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.432 16.570 -0.579 1.00 0.00 H new ATOM 773 N ASN A 50 9.844 14.332 -1.647 1.00 0.00 N ATOM 774 CA ASN A 50 9.402 13.727 -2.898 1.00 0.00 C ATOM 775 C ASN A 50 9.467 12.205 -2.820 1.00 0.00 C ATOM 776 O ASN A 50 10.516 11.616 -2.559 1.00 0.00 O ATOM 777 CB ASN A 50 10.261 14.227 -4.061 1.00 0.00 C ATOM 778 CG ASN A 50 11.715 13.816 -3.924 1.00 0.00 C ATOM 779 OD1 ASN A 50 12.412 14.420 -2.969 1.00 0.00 O flip ATOM 780 ND2 ASN A 50 12.204 12.966 -4.668 1.00 0.00 N flip ATOM 0 H ASN A 50 10.774 14.043 -1.345 1.00 0.00 H new ATOM 0 HA ASN A 50 8.366 14.019 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.863 13.837 -4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.197 15.314 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.630 12.528 -5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.183 12.700 -4.564 1.00 0.00 H new ATOM 787 N PRO A 51 8.319 11.551 -3.052 1.00 0.00 N ATOM 788 CA PRO A 51 8.220 10.089 -3.015 1.00 0.00 C ATOM 789 C PRO A 51 8.946 9.429 -4.182 1.00 0.00 C ATOM 790 O PRO A 51 9.016 9.986 -5.278 1.00 0.00 O ATOM 791 CB PRO A 51 6.713 9.834 -3.109 1.00 0.00 C ATOM 792 CG PRO A 51 6.168 11.035 -3.800 1.00 0.00 C ATOM 793 CD PRO A 51 7.030 12.189 -3.369 1.00 0.00 C ATOM 0 HA PRO A 51 8.682 9.671 -2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.500 8.924 -3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.270 9.711 -2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.197 10.909 -4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.126 11.203 -3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.133 12.932 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.612 12.702 -2.503 1.00 0.00 H new ATOM 801 N LEU A 52 9.484 8.239 -3.940 1.00 0.00 N ATOM 802 CA LEU A 52 10.205 7.502 -4.972 1.00 0.00 C ATOM 803 C LEU A 52 9.268 7.090 -6.103 1.00 0.00 C ATOM 804 O LEU A 52 9.533 7.363 -7.273 1.00 0.00 O ATOM 805 CB LEU A 52 10.872 6.263 -4.370 1.00 0.00 C ATOM 806 CG LEU A 52 11.923 6.524 -3.292 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.298 5.230 -2.586 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.156 7.180 -3.896 1.00 0.00 C ATOM 0 H LEU A 52 9.435 7.764 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 52 10.973 8.158 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.095 5.627 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.340 5.699 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 52 11.497 7.205 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.048 5.436 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.412 4.801 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.704 4.524 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.894 7.358 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.583 6.523 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.876 8.129 -4.354 1.00 0.00 H new ATOM 820 N ASP A 53 8.170 6.433 -5.744 1.00 0.00 N ATOM 821 CA ASP A 53 7.191 5.986 -6.728 1.00 0.00 C ATOM 822 C ASP A 53 5.853 5.679 -6.063 1.00 0.00 C ATOM 823 O ASP A 53 5.755 5.630 -4.836 1.00 0.00 O ATOM 824 CB ASP A 53 7.704 4.748 -7.464 1.00 0.00 C ATOM 825 CG ASP A 53 6.724 4.246 -8.507 1.00 0.00 C ATOM 826 OD1 ASP A 53 6.466 4.983 -9.482 1.00 0.00 O ATOM 827 OD2 ASP A 53 6.216 3.117 -8.348 1.00 0.00 O ATOM 0 H ASP A 53 7.936 6.198 -4.779 1.00 0.00 H new ATOM 0 HA ASP A 53 7.043 6.791 -7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.654 4.983 -7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.900 3.955 -6.742 1.00 0.00 H new ATOM 832 N SER A 54 4.824 5.475 -6.879 1.00 0.00 N ATOM 833 CA SER A 54 3.491 5.178 -6.370 1.00 0.00 C ATOM 834 C SER A 54 2.915 3.936 -7.045 1.00 0.00 C ATOM 835 O SER A 54 3.392 3.513 -8.099 1.00 0.00 O ATOM 836 CB SER A 54 2.559 6.371 -6.591 1.00 0.00 C ATOM 837 OG SER A 54 2.139 6.446 -7.942 1.00 0.00 O ATOM 0 H SER A 54 4.888 5.510 -7.896 1.00 0.00 H new ATOM 0 HA SER A 54 3.573 4.984 -5.301 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.689 6.282 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.071 7.293 -6.314 1.00 0.00 H new ATOM 0 HG SER A 54 1.543 7.215 -8.057 1.00 0.00 H new ATOM 843 N ILE A 55 1.888 3.359 -6.431 1.00 0.00 N ATOM 844 CA ILE A 55 1.247 2.167 -6.972 1.00 0.00 C ATOM 845 C ILE A 55 -0.266 2.344 -7.048 1.00 0.00 C ATOM 846 O ILE A 55 -0.918 2.637 -6.045 1.00 0.00 O ATOM 847 CB ILE A 55 1.566 0.922 -6.125 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.079 0.747 -5.986 1.00 0.00 C ATOM 849 CG2 ILE A 55 0.939 -0.317 -6.747 1.00 0.00 C ATOM 850 CD1 ILE A 55 3.662 1.457 -4.784 1.00 0.00 C ATOM 0 H ILE A 55 1.482 3.697 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 55 1.645 2.023 -7.977 1.00 0.00 H new ATOM 0 HB ILE A 55 1.142 1.059 -5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.309 -0.316 -5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.564 1.119 -6.888 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.174 -1.189 -6.137 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.142 -0.191 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.336 -0.460 -7.752 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.738 1.289 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.464 2.526 -4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.204 1.068 -3.874 1.00 0.00 H new ATOM 862 N ASP A 56 -0.819 2.161 -8.242 1.00 0.00 N ATOM 863 CA ASP A 56 -2.256 2.297 -8.448 1.00 0.00 C ATOM 864 C ASP A 56 -3.013 1.164 -7.762 1.00 0.00 C ATOM 865 O ASP A 56 -3.079 0.046 -8.277 1.00 0.00 O ATOM 866 CB ASP A 56 -2.579 2.311 -9.943 1.00 0.00 C ATOM 867 CG ASP A 56 -4.071 2.346 -10.212 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.702 1.268 -10.198 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.607 3.451 -10.437 1.00 0.00 O ATOM 0 H ASP A 56 -0.294 1.918 -9.082 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.574 3.242 -8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.109 3.179 -10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.148 1.427 -10.413 1.00 0.00 H new ATOM 874 N LEU A 57 -3.581 1.458 -6.598 1.00 0.00 N ATOM 875 CA LEU A 57 -4.333 0.464 -5.840 1.00 0.00 C ATOM 876 C LEU A 57 -5.700 0.219 -6.470 1.00 0.00 C ATOM 877 O LEU A 57 -6.330 -0.811 -6.229 1.00 0.00 O ATOM 878 CB LEU A 57 -4.501 0.920 -4.390 1.00 0.00 C ATOM 879 CG LEU A 57 -3.211 1.228 -3.629 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.502 1.447 -2.152 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.202 0.104 -3.814 1.00 0.00 C ATOM 0 H LEU A 57 -3.535 2.377 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.773 -0.471 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.126 1.813 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.043 0.146 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.783 2.145 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.572 1.665 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.189 2.285 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.953 0.548 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.290 0.340 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.622 -0.828 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.970 -0.006 -4.873 1.00 0.00 H new ATOM 893 N SER A 58 -6.152 1.170 -7.280 1.00 0.00 N ATOM 894 CA SER A 58 -7.446 1.059 -7.944 1.00 0.00 C ATOM 895 C SER A 58 -7.621 -0.325 -8.562 1.00 0.00 C ATOM 896 O SER A 58 -8.719 -0.882 -8.563 1.00 0.00 O ATOM 897 CB SER A 58 -7.583 2.133 -9.024 1.00 0.00 C ATOM 898 OG SER A 58 -8.943 2.358 -9.351 1.00 0.00 O ATOM 0 H SER A 58 -5.641 2.027 -7.493 1.00 0.00 H new ATOM 0 HA SER A 58 -8.225 1.206 -7.196 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.131 3.062 -8.677 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.037 1.827 -9.917 1.00 0.00 H new ATOM 0 HG SER A 58 -9.482 2.350 -8.532 1.00 0.00 H new ATOM 904 N SER A 59 -6.531 -0.874 -9.088 1.00 0.00 N ATOM 905 CA SER A 59 -6.563 -2.191 -9.714 1.00 0.00 C ATOM 906 C SER A 59 -5.441 -3.075 -9.177 1.00 0.00 C ATOM 907 O SER A 59 -4.900 -3.914 -9.896 1.00 0.00 O ATOM 908 CB SER A 59 -6.443 -2.061 -11.233 1.00 0.00 C ATOM 909 OG SER A 59 -7.709 -1.832 -11.827 1.00 0.00 O ATOM 0 H SER A 59 -5.614 -0.427 -9.093 1.00 0.00 H new ATOM 0 HA SER A 59 -7.518 -2.658 -9.472 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.769 -1.241 -11.479 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.003 -2.969 -11.645 1.00 0.00 H new ATOM 0 HG SER A 59 -7.605 -1.751 -12.798 1.00 0.00 H new ATOM 915 N ALA A 60 -5.098 -2.879 -7.908 1.00 0.00 N ATOM 916 CA ALA A 60 -4.042 -3.659 -7.274 1.00 0.00 C ATOM 917 C ALA A 60 -4.624 -4.689 -6.311 1.00 0.00 C ATOM 918 O ALA A 60 -5.460 -4.363 -5.468 1.00 0.00 O ATOM 919 CB ALA A 60 -3.073 -2.740 -6.544 1.00 0.00 C ATOM 0 H ALA A 60 -5.536 -2.187 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.501 -4.194 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.290 -3.336 -6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.625 -2.046 -7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.610 -2.180 -5.779 1.00 0.00 H new ATOM 925 N VAL A 61 -4.177 -5.934 -6.443 1.00 0.00 N ATOM 926 CA VAL A 61 -4.653 -7.012 -5.585 1.00 0.00 C ATOM 927 C VAL A 61 -3.592 -7.412 -4.566 1.00 0.00 C ATOM 928 O VAL A 61 -2.491 -7.825 -4.929 1.00 0.00 O ATOM 929 CB VAL A 61 -5.051 -8.251 -6.409 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.154 -8.392 -7.629 1.00 0.00 C ATOM 931 CG2 VAL A 61 -4.994 -9.504 -5.547 1.00 0.00 C ATOM 0 H VAL A 61 -3.486 -6.221 -7.136 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.532 -6.636 -5.062 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.076 -8.122 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.450 -9.273 -8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.250 -7.505 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.118 -8.499 -7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.278 -10.370 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.981 -9.640 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.683 -9.400 -4.708 1.00 0.00 H new ATOM 941 N PHE A 62 -3.932 -7.287 -3.287 1.00 0.00 N ATOM 942 CA PHE A 62 -3.008 -7.635 -2.213 1.00 0.00 C ATOM 943 C PHE A 62 -3.241 -9.066 -1.738 1.00 0.00 C ATOM 944 O PHE A 62 -4.382 -9.499 -1.575 1.00 0.00 O ATOM 945 CB PHE A 62 -3.166 -6.664 -1.041 1.00 0.00 C ATOM 946 CG PHE A 62 -3.613 -5.291 -1.456 1.00 0.00 C ATOM 947 CD1 PHE A 62 -2.861 -4.542 -2.346 1.00 0.00 C ATOM 948 CD2 PHE A 62 -4.786 -4.750 -0.956 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.270 -3.279 -2.731 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.200 -3.488 -1.336 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.441 -2.751 -2.224 1.00 0.00 C ATOM 0 H PHE A 62 -4.840 -6.948 -2.969 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.993 -7.561 -2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.888 -7.074 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.215 -6.584 -0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.944 -4.950 -2.744 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.384 -5.321 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.675 -2.706 -3.427 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.117 -3.078 -0.939 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.763 -1.764 -2.521 1.00 0.00 H new ATOM 961 N ASP A 63 -2.153 -9.795 -1.518 1.00 0.00 N ATOM 962 CA ASP A 63 -2.237 -11.177 -1.060 1.00 0.00 C ATOM 963 C ASP A 63 -1.169 -11.468 -0.012 1.00 0.00 C ATOM 964 O ASP A 63 -0.277 -10.652 0.224 1.00 0.00 O ATOM 965 CB ASP A 63 -2.086 -12.137 -2.241 1.00 0.00 C ATOM 966 CG ASP A 63 -2.635 -13.518 -1.938 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.607 -13.612 -1.161 1.00 0.00 O ATOM 968 OD2 ASP A 63 -2.090 -14.504 -2.477 1.00 0.00 O ATOM 0 H ASP A 63 -1.201 -9.452 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.216 -11.324 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.603 -11.726 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.032 -12.218 -2.507 1.00 0.00 H new ATOM 973 N CYS A 64 -1.266 -12.635 0.615 1.00 0.00 N ATOM 974 CA CYS A 64 -0.308 -13.034 1.641 1.00 0.00 C ATOM 975 C CYS A 64 0.562 -14.188 1.154 1.00 0.00 C ATOM 976 O CYS A 64 0.071 -15.130 0.530 1.00 0.00 O ATOM 977 CB CYS A 64 -1.040 -13.437 2.922 1.00 0.00 C ATOM 978 SG CYS A 64 -2.204 -14.803 2.709 1.00 0.00 S ATOM 0 H CYS A 64 -1.998 -13.321 0.431 1.00 0.00 H new ATOM 0 HA CYS A 64 0.337 -12.181 1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.304 -13.716 3.676 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.579 -12.571 3.307 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.812 -15.558 1.726 1.00 0.00 H new ATOM 984 N LYS A 65 1.857 -14.109 1.440 1.00 0.00 N ATOM 985 CA LYS A 65 2.796 -15.146 1.031 1.00 0.00 C ATOM 986 C LYS A 65 2.580 -16.424 1.835 1.00 0.00 C ATOM 987 O LYS A 65 1.718 -16.478 2.711 1.00 0.00 O ATOM 988 CB LYS A 65 4.236 -14.657 1.209 1.00 0.00 C ATOM 989 CG LYS A 65 4.794 -13.952 -0.015 1.00 0.00 C ATOM 990 CD LYS A 65 5.263 -14.946 -1.065 1.00 0.00 C ATOM 991 CE LYS A 65 6.720 -15.330 -0.856 1.00 0.00 C ATOM 992 NZ LYS A 65 7.278 -16.051 -2.035 1.00 0.00 N ATOM 0 H LYS A 65 2.280 -13.336 1.954 1.00 0.00 H new ATOM 0 HA LYS A 65 2.620 -15.366 -0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.277 -13.977 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.873 -15.508 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.030 -13.303 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.626 -13.313 0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.641 -15.840 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.138 -14.514 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.309 -14.432 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.806 -15.960 0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.272 -16.295 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.732 -16.921 -2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.219 -15.441 -2.875 1.00 0.00 H new ATOM 1006 N ALA A 66 3.368 -17.449 1.531 1.00 0.00 N ATOM 1007 CA ALA A 66 3.265 -18.726 2.227 1.00 0.00 C ATOM 1008 C ALA A 66 3.724 -18.599 3.676 1.00 0.00 C ATOM 1009 O ALA A 66 3.143 -19.205 4.577 1.00 0.00 O ATOM 1010 CB ALA A 66 4.078 -19.789 1.505 1.00 0.00 C ATOM 0 H ALA A 66 4.086 -17.420 0.807 1.00 0.00 H new ATOM 0 HA ALA A 66 2.217 -19.027 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.991 -20.737 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.702 -19.907 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.125 -19.486 1.471 1.00 0.00 H new ATOM 1016 N ASP A 67 4.770 -17.809 3.893 1.00 0.00 N ATOM 1017 CA ASP A 67 5.307 -17.604 5.233 1.00 0.00 C ATOM 1018 C ASP A 67 4.635 -16.414 5.911 1.00 0.00 C ATOM 1019 O ASP A 67 5.262 -15.693 6.687 1.00 0.00 O ATOM 1020 CB ASP A 67 6.819 -17.383 5.171 1.00 0.00 C ATOM 1021 CG ASP A 67 7.182 -15.966 4.773 1.00 0.00 C ATOM 1022 OD1 ASP A 67 6.403 -15.343 4.023 1.00 0.00 O ATOM 1023 OD2 ASP A 67 8.247 -15.481 5.212 1.00 0.00 O ATOM 0 H ASP A 67 5.262 -17.300 3.159 1.00 0.00 H new ATOM 0 HA ASP A 67 5.102 -18.499 5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.256 -17.607 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.256 -18.081 4.457 1.00 0.00 H new ATOM 1028 N ALA A 68 3.355 -16.214 5.613 1.00 0.00 N ATOM 1029 CA ALA A 68 2.598 -15.113 6.194 1.00 0.00 C ATOM 1030 C ALA A 68 2.725 -15.101 7.714 1.00 0.00 C ATOM 1031 O ALA A 68 2.683 -14.043 8.340 1.00 0.00 O ATOM 1032 CB ALA A 68 1.135 -15.205 5.785 1.00 0.00 C ATOM 0 H ALA A 68 2.821 -16.801 4.972 1.00 0.00 H new ATOM 0 HA ALA A 68 3.012 -14.179 5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.581 -14.376 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.057 -15.156 4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.718 -16.148 6.137 1.00 0.00 H new ATOM 1038 N GLU A 69 2.879 -16.284 8.299 1.00 0.00 N ATOM 1039 CA GLU A 69 3.011 -16.408 9.746 1.00 0.00 C ATOM 1040 C GLU A 69 3.807 -15.241 10.322 1.00 0.00 C ATOM 1041 O GLU A 69 3.584 -14.825 11.459 1.00 0.00 O ATOM 1042 CB GLU A 69 3.690 -17.731 10.108 1.00 0.00 C ATOM 1043 CG GLU A 69 5.122 -17.835 9.611 1.00 0.00 C ATOM 1044 CD GLU A 69 5.880 -18.981 10.252 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.343 -20.108 10.274 1.00 0.00 O ATOM 1046 OE2 GLU A 69 7.010 -18.751 10.733 1.00 0.00 O ATOM 0 H GLU A 69 2.915 -17.170 7.794 1.00 0.00 H new ATOM 0 HA GLU A 69 2.011 -16.392 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.681 -17.850 11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.109 -18.554 9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.118 -17.967 8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.643 -16.900 9.816 1.00 0.00 H new ATOM 1053 N GLU A 70 4.737 -14.718 9.529 1.00 0.00 N ATOM 1054 CA GLU A 70 5.567 -13.600 9.961 1.00 0.00 C ATOM 1055 C GLU A 70 4.907 -12.267 9.618 1.00 0.00 C ATOM 1056 O GLU A 70 4.878 -11.348 10.435 1.00 0.00 O ATOM 1057 CB GLU A 70 6.949 -13.679 9.308 1.00 0.00 C ATOM 1058 CG GLU A 70 7.718 -12.370 9.349 1.00 0.00 C ATOM 1059 CD GLU A 70 9.216 -12.569 9.227 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.810 -13.181 10.140 1.00 0.00 O ATOM 1061 OE2 GLU A 70 9.795 -12.112 8.219 1.00 0.00 O ATOM 0 H GLU A 70 4.934 -15.050 8.585 1.00 0.00 H new ATOM 0 HA GLU A 70 5.680 -13.663 11.043 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.534 -14.450 9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.834 -13.990 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.374 -11.725 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.499 -11.853 10.283 1.00 0.00 H new ATOM 1068 N GLY A 71 4.377 -12.171 8.402 1.00 0.00 N ATOM 1069 CA GLY A 71 3.725 -10.948 7.972 1.00 0.00 C ATOM 1070 C GLY A 71 4.219 -10.473 6.620 1.00 0.00 C ATOM 1071 O GLY A 71 4.763 -9.375 6.501 1.00 0.00 O ATOM 0 H GLY A 71 4.388 -12.918 7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.648 -11.111 7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.898 -10.168 8.713 1.00 0.00 H new ATOM 1075 N ILE A 72 4.030 -11.302 5.598 1.00 0.00 N ATOM 1076 CA ILE A 72 4.461 -10.960 4.248 1.00 0.00 C ATOM 1077 C ILE A 72 3.285 -10.968 3.277 1.00 0.00 C ATOM 1078 O ILE A 72 2.413 -11.834 3.350 1.00 0.00 O ATOM 1079 CB ILE A 72 5.541 -11.932 3.738 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.611 -12.148 4.811 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.167 -11.404 2.457 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.200 -13.132 5.884 1.00 0.00 C ATOM 0 H ILE A 72 3.582 -12.215 5.679 1.00 0.00 H new ATOM 0 HA ILE A 72 4.882 -9.956 4.296 1.00 0.00 H new ATOM 0 HB ILE A 72 5.072 -12.892 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.525 -12.503 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.845 -11.191 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.928 -12.102 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.397 -11.297 1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.625 -10.434 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.006 -13.236 6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.303 -12.769 6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.994 -14.101 5.429 1.00 0.00 H new ATOM 1094 N PHE A 73 3.270 -10.000 2.367 1.00 0.00 N ATOM 1095 CA PHE A 73 2.202 -9.897 1.379 1.00 0.00 C ATOM 1096 C PHE A 73 2.761 -9.525 0.009 1.00 0.00 C ATOM 1097 O PHE A 73 3.958 -9.279 -0.137 1.00 0.00 O ATOM 1098 CB PHE A 73 1.170 -8.857 1.820 1.00 0.00 C ATOM 1099 CG PHE A 73 1.772 -7.527 2.175 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.426 -7.349 3.383 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.685 -6.457 1.300 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.981 -6.127 3.713 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.238 -5.232 1.624 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.888 -5.067 2.831 1.00 0.00 C ATOM 0 H PHE A 73 3.985 -9.276 2.293 1.00 0.00 H new ATOM 0 HA PHE A 73 1.718 -10.871 1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.444 -8.716 1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.624 -9.241 2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.503 -8.175 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.179 -6.581 0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.487 -6.001 4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.162 -4.405 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.323 -4.112 3.085 1.00 0.00 H new ATOM 1114 N GLU A 74 1.886 -9.488 -0.991 1.00 0.00 N ATOM 1115 CA GLU A 74 2.294 -9.148 -2.349 1.00 0.00 C ATOM 1116 C GLU A 74 1.199 -8.361 -3.064 1.00 0.00 C ATOM 1117 O GLU A 74 0.025 -8.730 -3.019 1.00 0.00 O ATOM 1118 CB GLU A 74 2.625 -10.416 -3.139 1.00 0.00 C ATOM 1119 CG GLU A 74 4.070 -10.862 -2.996 1.00 0.00 C ATOM 1120 CD GLU A 74 4.231 -12.366 -3.116 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.348 -13.097 -2.621 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.239 -12.810 -3.703 1.00 0.00 O ATOM 0 H GLU A 74 0.891 -9.689 -0.887 1.00 0.00 H new ATOM 0 HA GLU A 74 3.186 -8.524 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.970 -11.222 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.409 -10.244 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.674 -10.373 -3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.453 -10.535 -2.029 1.00 0.00 H new ATOM 1129 N ILE A 75 1.593 -7.276 -3.723 1.00 0.00 N ATOM 1130 CA ILE A 75 0.646 -6.438 -4.448 1.00 0.00 C ATOM 1131 C ILE A 75 0.737 -6.680 -5.951 1.00 0.00 C ATOM 1132 O ILE A 75 1.622 -6.151 -6.624 1.00 0.00 O ATOM 1133 CB ILE A 75 0.886 -4.943 -4.164 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.895 -4.683 -2.657 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.178 -4.097 -4.848 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.977 -3.216 -2.297 1.00 0.00 C ATOM 0 H ILE A 75 2.561 -6.957 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.350 -6.711 -4.098 1.00 0.00 H new ATOM 0 HB ILE A 75 1.859 -4.663 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.008 -5.106 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.741 -5.206 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.005 -3.043 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.140 -4.265 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.162 -4.376 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.979 -3.107 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.894 -2.792 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.117 -2.691 -2.713 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.186 -7.480 -6.472 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.214 -7.791 -7.896 1.00 0.00 C ATOM 1150 C LYS A 76 -0.899 -6.678 -8.683 1.00 0.00 C ATOM 1151 O LYS A 76 -2.089 -6.416 -8.501 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.937 -9.119 -8.136 1.00 0.00 C ATOM 1153 CG LYS A 76 -0.012 -10.324 -8.133 1.00 0.00 C ATOM 1154 CD LYS A 76 0.305 -10.779 -6.719 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.770 -11.710 -6.178 1.00 0.00 C ATOM 1156 NZ LYS A 76 -1.973 -10.961 -5.721 1.00 0.00 N ATOM 0 H LYS A 76 -0.926 -7.925 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 76 0.816 -7.877 -8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.697 -9.253 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.456 -9.073 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.476 -11.142 -8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.913 -10.075 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.269 -11.289 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.396 -9.910 -6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.057 -12.422 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.365 -12.289 -5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.541 -11.566 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.676 -10.109 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.543 -10.684 -6.545 1.00 0.00 H new ATOM 1170 N THR A 77 -0.142 -6.025 -9.559 1.00 0.00 N ATOM 1171 CA THR A 77 -0.676 -4.941 -10.373 1.00 0.00 C ATOM 1172 C THR A 77 -0.349 -5.148 -11.847 1.00 0.00 C ATOM 1173 O THR A 77 0.635 -5.795 -12.205 1.00 0.00 O ATOM 1174 CB THR A 77 -0.123 -3.575 -9.923 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.309 -3.603 -9.922 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.629 -3.217 -8.534 1.00 0.00 C ATOM 0 H THR A 77 0.844 -6.229 -9.723 1.00 0.00 H new ATOM 0 HA THR A 77 -1.758 -4.949 -10.239 1.00 0.00 H new ATOM 0 HB THR A 77 -0.471 -2.818 -10.625 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.623 -4.231 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.225 -2.249 -8.238 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.718 -3.168 -8.545 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.307 -3.977 -7.822 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.193 -4.586 -12.726 1.00 0.00 N ATOM 1185 CA PRO A 78 -1.013 -4.694 -14.176 1.00 0.00 C ATOM 1186 C PRO A 78 0.189 -3.899 -14.673 1.00 0.00 C ATOM 1187 O PRO A 78 0.449 -3.833 -15.874 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.311 -4.109 -14.739 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.802 -3.186 -13.678 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.387 -3.800 -12.370 1.00 0.00 C ATOM 0 HA PRO A 78 -0.822 -5.721 -14.487 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.133 -3.578 -15.674 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.039 -4.892 -14.951 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.372 -2.192 -13.796 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.885 -3.073 -13.730 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.159 -3.039 -11.623 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.173 -4.430 -11.954 1.00 0.00 H new ATOM 1198 N SER A 79 0.920 -3.296 -13.740 1.00 0.00 N ATOM 1199 CA SER A 79 2.094 -2.501 -14.084 1.00 0.00 C ATOM 1200 C SER A 79 3.372 -3.189 -13.613 1.00 0.00 C ATOM 1201 O SER A 79 4.318 -3.358 -14.382 1.00 0.00 O ATOM 1202 CB SER A 79 1.992 -1.107 -13.463 1.00 0.00 C ATOM 1203 OG SER A 79 1.183 -0.254 -14.254 1.00 0.00 O ATOM 0 H SER A 79 0.720 -3.343 -12.741 1.00 0.00 H new ATOM 0 HA SER A 79 2.133 -2.405 -15.169 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.574 -1.182 -12.459 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.988 -0.677 -13.361 1.00 0.00 H new ATOM 0 HG SER A 79 1.132 0.630 -13.835 1.00 0.00 H new ATOM 1209 N ARG A 80 3.391 -3.582 -12.343 1.00 0.00 N ATOM 1210 CA ARG A 80 4.552 -4.250 -11.768 1.00 0.00 C ATOM 1211 C ARG A 80 4.204 -4.885 -10.425 1.00 0.00 C ATOM 1212 O ARG A 80 3.640 -4.234 -9.546 1.00 0.00 O ATOM 1213 CB ARG A 80 5.703 -3.257 -11.592 1.00 0.00 C ATOM 1214 CG ARG A 80 5.454 -2.223 -10.506 1.00 0.00 C ATOM 1215 CD ARG A 80 6.643 -1.290 -10.342 1.00 0.00 C ATOM 1216 NE ARG A 80 7.838 -2.000 -9.894 1.00 0.00 N ATOM 1217 CZ ARG A 80 8.679 -2.616 -10.717 1.00 0.00 C ATOM 1218 NH1 ARG A 80 8.457 -2.609 -12.024 1.00 0.00 N ATOM 1219 NH2 ARG A 80 9.745 -3.241 -10.233 1.00 0.00 N ATOM 0 H ARG A 80 2.616 -3.449 -11.693 1.00 0.00 H new ATOM 0 HA ARG A 80 4.863 -5.038 -12.453 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.614 -3.807 -11.356 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.877 -2.744 -12.538 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.565 -1.642 -10.752 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.253 -2.728 -9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.850 -0.796 -11.291 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.395 -0.509 -9.623 1.00 0.00 H new ATOM 0 HE ARG A 80 8.038 -2.024 -8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.639 -2.130 -12.400 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.104 -3.083 -12.654 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.919 -3.249 -9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.390 -3.714 -10.866 1.00 0.00 H new ATOM 1233 N VAL A 81 4.544 -6.161 -10.274 1.00 0.00 N ATOM 1234 CA VAL A 81 4.268 -6.885 -9.039 1.00 0.00 C ATOM 1235 C VAL A 81 5.220 -6.457 -7.927 1.00 0.00 C ATOM 1236 O VAL A 81 6.440 -6.512 -8.086 1.00 0.00 O ATOM 1237 CB VAL A 81 4.384 -8.407 -9.242 1.00 0.00 C ATOM 1238 CG1 VAL A 81 4.038 -9.145 -7.958 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.490 -8.862 -10.385 1.00 0.00 C ATOM 0 H VAL A 81 5.011 -6.715 -10.992 1.00 0.00 H new ATOM 0 HA VAL A 81 3.245 -6.642 -8.752 1.00 0.00 H new ATOM 0 HB VAL A 81 5.416 -8.643 -9.502 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.126 -10.219 -8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.724 -8.841 -7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.016 -8.905 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.585 -9.940 -10.514 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.453 -8.614 -10.157 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.790 -8.359 -11.304 1.00 0.00 H new ATOM 1249 N ILE A 82 4.654 -6.031 -6.803 1.00 0.00 N ATOM 1250 CA ILE A 82 5.453 -5.596 -5.664 1.00 0.00 C ATOM 1251 C ILE A 82 5.364 -6.596 -4.516 1.00 0.00 C ATOM 1252 O ILE A 82 4.311 -7.186 -4.270 1.00 0.00 O ATOM 1253 CB ILE A 82 5.006 -4.211 -5.159 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.060 -3.188 -6.296 1.00 0.00 C ATOM 1255 CG2 ILE A 82 5.878 -3.764 -3.996 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.455 -2.948 -6.828 1.00 0.00 C ATOM 0 H ILE A 82 3.646 -5.978 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 82 6.485 -5.533 -6.008 1.00 0.00 H new ATOM 0 HB ILE A 82 3.976 -4.283 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.423 -3.530 -7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.647 -2.243 -5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.549 -2.784 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.794 -4.483 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.916 -3.705 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.417 -2.212 -7.631 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.092 -2.576 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.864 -3.883 -7.212 1.00 0.00 H new ATOM 1268 N THR A 83 6.477 -6.781 -3.812 1.00 0.00 N ATOM 1269 CA THR A 83 6.526 -7.708 -2.689 1.00 0.00 C ATOM 1270 C THR A 83 7.004 -7.011 -1.421 1.00 0.00 C ATOM 1271 O THR A 83 8.197 -6.752 -1.254 1.00 0.00 O ATOM 1272 CB THR A 83 7.453 -8.902 -2.986 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.028 -9.568 -4.180 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.458 -9.885 -1.825 1.00 0.00 C ATOM 0 H THR A 83 7.357 -6.300 -4.001 1.00 0.00 H new ATOM 0 HA THR A 83 5.511 -8.075 -2.538 1.00 0.00 H new ATOM 0 HB THR A 83 8.465 -8.522 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.624 -10.325 -4.362 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.119 -10.720 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.811 -9.383 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.447 -10.258 -1.660 1.00 0.00 H new ATOM 1282 N LEU A 84 6.068 -6.710 -0.528 1.00 0.00 N ATOM 1283 CA LEU A 84 6.394 -6.043 0.728 1.00 0.00 C ATOM 1284 C LEU A 84 5.989 -6.901 1.922 1.00 0.00 C ATOM 1285 O LEU A 84 5.062 -7.707 1.835 1.00 0.00 O ATOM 1286 CB LEU A 84 5.696 -4.684 0.802 1.00 0.00 C ATOM 1287 CG LEU A 84 5.666 -3.873 -0.494 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.812 -2.626 -0.324 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.078 -3.500 -0.922 1.00 0.00 C ATOM 0 H LEU A 84 5.077 -6.917 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 84 7.473 -5.893 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.669 -4.843 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.188 -4.087 1.570 1.00 0.00 H new ATOM 0 HG LEU A 84 5.221 -4.489 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.803 -2.062 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.794 -2.915 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.227 -2.006 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.038 -2.923 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.549 -2.902 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.660 -4.407 -1.086 1.00 0.00 H new ATOM 1301 N LYS A 85 6.688 -6.721 3.037 1.00 0.00 N ATOM 1302 CA LYS A 85 6.400 -7.476 4.251 1.00 0.00 C ATOM 1303 C LYS A 85 6.234 -6.542 5.446 1.00 0.00 C ATOM 1304 O LYS A 85 6.984 -5.579 5.601 1.00 0.00 O ATOM 1305 CB LYS A 85 7.519 -8.482 4.528 1.00 0.00 C ATOM 1306 CG LYS A 85 8.764 -7.856 5.132 1.00 0.00 C ATOM 1307 CD LYS A 85 9.872 -8.881 5.313 1.00 0.00 C ATOM 1308 CE LYS A 85 10.986 -8.346 6.199 1.00 0.00 C ATOM 1309 NZ LYS A 85 11.924 -9.423 6.622 1.00 0.00 N ATOM 0 H LYS A 85 7.459 -6.059 3.125 1.00 0.00 H new ATOM 0 HA LYS A 85 5.465 -8.015 4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.145 -9.252 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.788 -8.979 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.115 -7.049 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.518 -7.411 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.460 -9.790 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.279 -9.154 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.538 -7.574 5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.553 -7.874 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.669 -9.018 7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.403 -10.147 7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.356 -9.857 5.781 1.00 0.00 H new ATOM 1323 N ALA A 86 5.249 -6.836 6.288 1.00 0.00 N ATOM 1324 CA ALA A 86 4.988 -6.024 7.471 1.00 0.00 C ATOM 1325 C ALA A 86 5.772 -6.538 8.673 1.00 0.00 C ATOM 1326 O ALA A 86 6.541 -7.492 8.563 1.00 0.00 O ATOM 1327 CB ALA A 86 3.498 -6.004 7.779 1.00 0.00 C ATOM 0 H ALA A 86 4.619 -7.630 6.173 1.00 0.00 H new ATOM 0 HA ALA A 86 5.318 -5.006 7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.318 -5.394 8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.957 -5.583 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.151 -7.021 7.962 1.00 0.00 H new ATOM 1333 N ALA A 87 5.572 -5.899 9.821 1.00 0.00 N ATOM 1334 CA ALA A 87 6.259 -6.293 11.045 1.00 0.00 C ATOM 1335 C ALA A 87 5.825 -7.684 11.495 1.00 0.00 C ATOM 1336 O ALA A 87 6.592 -8.644 11.408 1.00 0.00 O ATOM 1337 CB ALA A 87 6.001 -5.276 12.146 1.00 0.00 C ATOM 0 H ALA A 87 4.940 -5.106 9.929 1.00 0.00 H new ATOM 0 HA ALA A 87 7.329 -6.324 10.838 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.520 -5.583 13.054 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.367 -4.299 11.832 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.931 -5.216 12.343 1.00 0.00 H new ATOM 1343 N THR A 88 4.590 -7.787 11.976 1.00 0.00 N ATOM 1344 CA THR A 88 4.055 -9.060 12.442 1.00 0.00 C ATOM 1345 C THR A 88 2.896 -9.523 11.566 1.00 0.00 C ATOM 1346 O THR A 88 2.584 -8.900 10.551 1.00 0.00 O ATOM 1347 CB THR A 88 3.575 -8.968 13.902 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.461 -8.073 13.996 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.696 -8.486 14.811 1.00 0.00 C ATOM 0 H THR A 88 3.941 -7.004 12.053 1.00 0.00 H new ATOM 0 HA THR A 88 4.867 -9.785 12.380 1.00 0.00 H new ATOM 0 HB THR A 88 3.270 -9.964 14.224 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.161 -8.021 14.927 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.333 -8.429 15.837 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.532 -9.184 14.760 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.027 -7.499 14.488 1.00 0.00 H new ATOM 1357 N LYS A 89 2.260 -10.619 11.965 1.00 0.00 N ATOM 1358 CA LYS A 89 1.132 -11.164 11.218 1.00 0.00 C ATOM 1359 C LYS A 89 -0.073 -10.233 11.295 1.00 0.00 C ATOM 1360 O LYS A 89 -0.756 -10.004 10.297 1.00 0.00 O ATOM 1361 CB LYS A 89 0.758 -12.547 11.758 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.469 -13.147 11.093 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.108 -13.874 9.809 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.348 -14.366 9.080 1.00 0.00 C ATOM 1365 NZ LYS A 89 -1.889 -15.615 9.685 1.00 0.00 N ATOM 0 H LYS A 89 2.506 -11.148 12.802 1.00 0.00 H new ATOM 0 HA LYS A 89 1.430 -11.256 10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.602 -13.222 11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.580 -12.473 12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.954 -13.840 11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.189 -12.358 10.875 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.457 -13.207 9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.540 -14.720 10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.114 -13.591 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.106 -14.545 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.734 -15.918 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.168 -16.363 9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.144 -15.438 10.678 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.327 -9.698 12.485 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.450 -8.791 12.690 1.00 0.00 C ATOM 1381 C GLN A 90 -1.190 -7.443 12.026 1.00 0.00 C ATOM 1382 O GLN A 90 -2.111 -6.653 11.823 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.708 -8.596 14.185 1.00 0.00 C ATOM 1384 CG GLN A 90 -3.171 -8.359 14.525 1.00 0.00 C ATOM 1385 CD GLN A 90 -3.353 -7.527 15.778 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -2.380 -7.087 16.391 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -4.603 -7.306 16.167 1.00 0.00 N ATOM 0 H GLN A 90 0.229 -9.877 13.321 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.333 -9.236 12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.357 -9.476 14.724 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.120 -7.750 14.539 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.658 -7.859 13.688 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.669 -9.319 14.656 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.380 -7.690 15.629 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.786 -6.752 17.004 1.00 0.00 H new ATOM 1396 N ALA A 91 0.070 -7.188 11.691 1.00 0.00 N ATOM 1397 CA ALA A 91 0.452 -5.937 11.048 1.00 0.00 C ATOM 1398 C ALA A 91 -0.063 -5.877 9.614 1.00 0.00 C ATOM 1399 O ALA A 91 -0.888 -5.029 9.276 1.00 0.00 O ATOM 1400 CB ALA A 91 1.963 -5.768 11.077 1.00 0.00 C ATOM 0 H ALA A 91 0.844 -7.832 11.854 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.004 -5.118 11.604 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.233 -4.829 10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.308 -5.756 12.111 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.432 -6.597 10.548 1.00 0.00 H new ATOM 1406 N MET A 92 0.431 -6.782 8.775 1.00 0.00 N ATOM 1407 CA MET A 92 0.020 -6.832 7.377 1.00 0.00 C ATOM 1408 C MET A 92 -1.499 -6.899 7.259 1.00 0.00 C ATOM 1409 O MET A 92 -2.100 -6.197 6.445 1.00 0.00 O ATOM 1410 CB MET A 92 0.651 -8.039 6.680 1.00 0.00 C ATOM 1411 CG MET A 92 0.334 -9.364 7.355 1.00 0.00 C ATOM 1412 SD MET A 92 -1.194 -10.104 6.748 1.00 0.00 S ATOM 1413 CE MET A 92 -0.734 -11.834 6.695 1.00 0.00 C ATOM 0 H MET A 92 1.116 -7.490 9.039 1.00 0.00 H new ATOM 0 HA MET A 92 0.365 -5.920 6.890 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.304 -8.074 5.647 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.732 -7.906 6.649 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.159 -10.057 7.191 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.256 -9.210 8.431 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.569 -12.443 7.040 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.481 -12.112 5.672 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.128 -12.001 7.340 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.115 -7.747 8.075 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.565 -7.906 8.062 1.00 0.00 C ATOM 1425 C LEU A 93 -4.261 -6.548 8.064 1.00 0.00 C ATOM 1426 O LEU A 93 -5.313 -6.378 7.446 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.019 -8.726 9.270 1.00 0.00 C ATOM 1428 CG LEU A 93 -3.711 -10.223 9.219 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -3.947 -10.864 10.578 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.556 -10.905 8.152 1.00 0.00 C ATOM 0 H LEU A 93 -1.633 -8.335 8.754 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.840 -8.434 7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.552 -8.310 10.163 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.096 -8.601 9.385 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.660 -10.349 8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.723 -11.929 10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.299 -10.395 11.319 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.989 -10.728 10.869 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.324 -11.970 8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.613 -10.769 8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.337 -10.465 7.179 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.667 -5.586 8.761 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.231 -4.243 8.843 1.00 0.00 C ATOM 1444 C TYR A 94 -4.066 -3.501 7.521 1.00 0.00 C ATOM 1445 O TYR A 94 -4.948 -2.751 7.103 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.561 -3.455 9.970 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.775 -1.961 9.875 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -5.047 -1.414 9.986 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.705 -1.098 9.674 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.248 -0.050 9.898 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.896 0.268 9.587 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.169 0.787 9.699 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.365 2.146 9.613 1.00 0.00 O ATOM 0 H TYR A 94 -2.796 -5.710 9.277 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.296 -4.336 9.056 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.945 -3.808 10.927 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.491 -3.662 9.960 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.893 -2.066 10.144 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.707 -1.501 9.584 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.244 0.359 9.984 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.053 0.925 9.432 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.504 2.593 9.473 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.931 -3.717 6.866 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.650 -3.070 5.590 1.00 0.00 C ATOM 1465 C TRP A 95 -3.534 -3.637 4.485 1.00 0.00 C ATOM 1466 O TRP A 95 -4.220 -2.893 3.783 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.176 -3.244 5.220 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.298 -2.147 5.742 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.358 -2.121 6.939 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.017 -0.915 5.083 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.062 -0.948 7.065 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.870 -0.191 5.939 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.337 -0.354 3.853 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.371 1.063 5.603 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.161 0.891 3.521 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.008 1.589 4.392 1.00 0.00 C ATOM 0 H TRP A 95 -2.191 -4.335 7.198 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.868 -2.007 5.695 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.822 -4.199 5.609 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.084 -3.288 4.135 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.328 -2.907 7.679 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.635 -0.684 7.867 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.988 -0.884 3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.023 1.602 6.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.107 1.334 2.573 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.382 2.560 4.103 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.515 -4.957 4.337 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.317 -5.624 3.317 1.00 0.00 C ATOM 1489 C LEU A 96 -5.784 -5.221 3.428 1.00 0.00 C ATOM 1490 O LEU A 96 -6.449 -4.983 2.420 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.181 -7.142 3.446 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.757 -7.679 3.593 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.775 -9.180 3.832 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -1.931 -7.343 2.360 1.00 0.00 C ATOM 0 H LEU A 96 -2.953 -5.587 4.910 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.948 -5.314 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.761 -7.466 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.633 -7.603 2.568 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.296 -7.200 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.753 -9.544 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.330 -9.396 4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.255 -9.677 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.920 -7.733 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.390 -7.794 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.890 -6.261 2.233 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.280 -5.145 4.658 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.668 -4.770 4.900 1.00 0.00 C ATOM 1508 C GLN A 97 -7.916 -3.318 4.505 1.00 0.00 C ATOM 1509 O GLN A 97 -8.691 -3.038 3.591 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.025 -4.978 6.373 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.401 -4.448 6.746 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.518 -5.387 6.337 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.409 -6.105 5.342 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.602 -5.388 7.104 1.00 0.00 N ATOM 0 H GLN A 97 -5.742 -5.338 5.503 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.303 -5.408 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.980 -6.043 6.602 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.275 -4.487 6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.444 -4.286 7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.554 -3.479 6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.650 -4.777 7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.386 -6.000 6.878 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.252 -2.399 5.199 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.402 -0.976 4.920 1.00 0.00 C ATOM 1525 C GLN A 98 -7.124 -0.677 3.451 1.00 0.00 C ATOM 1526 O GLN A 98 -7.981 -0.150 2.740 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.461 -0.159 5.806 1.00 0.00 C ATOM 1528 CG GLN A 98 -7.020 0.121 7.192 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.449 0.626 7.154 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -9.404 -0.297 7.172 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.693 1.832 7.109 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.605 -2.614 5.958 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.432 -0.695 5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.515 -0.692 5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.243 0.788 5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.977 -0.791 7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.391 0.858 7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.928 2.507 7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.660 2.156 7.084 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.920 -1.015 3.001 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.528 -0.782 1.616 1.00 0.00 C ATOM 1542 C LEU A 99 -6.722 -0.930 0.679 1.00 0.00 C ATOM 1543 O LEU A 99 -6.871 -0.170 -0.277 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.422 -1.757 1.208 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.011 -1.411 1.687 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.041 -2.530 1.344 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.549 -0.096 1.077 1.00 0.00 C ATOM 0 H LEU A 99 -5.199 -1.451 3.576 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.153 0.238 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.680 -2.746 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.408 -1.825 0.120 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.033 -1.298 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.043 -2.266 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.363 -3.452 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.021 -2.676 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.543 0.135 1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.543 -0.181 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.229 0.702 1.374 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.572 -1.913 0.963 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.755 -2.159 0.146 1.00 0.00 C ATOM 1561 C GLN A 100 -9.776 -1.039 0.315 1.00 0.00 C ATOM 1562 O GLN A 100 -10.279 -0.491 -0.665 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.386 -3.501 0.517 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.830 -4.675 -0.273 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.620 -5.950 -0.058 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.278 -6.448 -0.972 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.559 -6.487 1.155 1.00 0.00 N ATOM 0 H GLN A 100 -7.463 -2.551 1.752 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.445 -2.188 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.231 -3.684 1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.463 -3.443 0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.831 -4.427 -1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.792 -4.842 0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.001 -6.041 1.883 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.070 -7.346 1.359 1.00 0.00 H new ATOM 1576 N MET A 101 -10.077 -0.703 1.565 1.00 0.00 N ATOM 1577 CA MET A 101 -11.038 0.352 1.863 1.00 0.00 C ATOM 1578 C MET A 101 -10.936 1.483 0.844 1.00 0.00 C ATOM 1579 O MET A 101 -11.933 1.881 0.240 1.00 0.00 O ATOM 1580 CB MET A 101 -10.808 0.899 3.273 1.00 0.00 C ATOM 1581 CG MET A 101 -11.495 0.087 4.359 1.00 0.00 C ATOM 1582 SD MET A 101 -10.980 -1.641 4.366 1.00 0.00 S ATOM 1583 CE MET A 101 -12.306 -2.393 3.426 1.00 0.00 C ATOM 0 H MET A 101 -9.669 -1.146 2.388 1.00 0.00 H new ATOM 0 HA MET A 101 -12.039 -0.076 1.807 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.737 0.926 3.473 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.166 1.927 3.318 1.00 0.00 H new ATOM 0 HG2 MET A 101 -11.278 0.531 5.331 1.00 0.00 H new ATOM 0 HG3 MET A 101 -12.575 0.140 4.218 1.00 0.00 H new ATOM 0 HE1 MET A 101 -12.419 -3.435 3.725 1.00 0.00 H new ATOM 0 HE2 MET A 101 -13.236 -1.858 3.617 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.071 -2.344 2.363 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.725 1.998 0.657 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.492 3.082 -0.289 1.00 0.00 C ATOM 1595 C LYS A 102 -9.960 2.694 -1.688 1.00 0.00 C ATOM 1596 O LYS A 102 -10.728 3.420 -2.320 1.00 0.00 O ATOM 1597 CB LYS A 102 -8.007 3.448 -0.321 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.418 3.722 1.053 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.967 5.008 1.648 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.321 5.321 2.989 1.00 0.00 C ATOM 1601 NZ LYS A 102 -8.073 4.712 4.122 1.00 0.00 N ATOM 0 H LYS A 102 -8.889 1.681 1.149 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.067 3.947 0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.451 2.636 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.872 4.330 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.641 2.888 1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.333 3.789 0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.793 5.833 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.046 4.920 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.296 4.952 2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.271 6.401 3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.601 4.948 5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.044 5.083 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.099 3.679 4.006 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.495 1.544 -2.165 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.866 1.060 -3.489 1.00 0.00 C ATOM 1617 C ARG A 103 -11.336 0.650 -3.525 1.00 0.00 C ATOM 1618 O ARG A 103 -12.151 1.283 -4.196 1.00 0.00 O ATOM 1619 CB ARG A 103 -8.985 -0.125 -3.888 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.492 -0.878 -5.107 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.883 -2.269 -5.196 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.781 -3.219 -5.848 1.00 0.00 N ATOM 1623 CZ ARG A 103 -9.429 -4.457 -6.173 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -8.205 -4.894 -5.909 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -10.302 -5.263 -6.764 1.00 0.00 N ATOM 0 H ARG A 103 -8.861 0.930 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.715 1.872 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.976 0.235 -4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.917 -0.815 -3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.578 -0.957 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.251 -0.316 -6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.945 -2.219 -5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.644 -2.625 -4.194 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.730 -2.915 -6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.531 -4.278 -5.455 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.938 -5.846 -6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.245 -4.931 -6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.030 -6.214 -7.013 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.665 -0.413 -2.800 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.037 -0.908 -2.749 1.00 0.00 C ATOM 1641 C TRP A 104 -14.034 0.245 -2.799 1.00 0.00 C ATOM 1642 O TRP A 104 -14.990 0.216 -3.572 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.256 -1.734 -1.481 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.682 -1.750 -1.022 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.654 -2.634 -1.395 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.297 -0.839 -0.104 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.836 -2.327 -0.766 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.643 -1.231 0.033 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.842 0.268 0.616 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.535 -0.553 0.859 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.728 0.940 1.436 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.062 0.528 1.553 1.00 0.00 C ATOM 0 H TRP A 104 -11.002 -0.949 -2.240 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.201 -1.543 -3.620 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.928 -2.758 -1.662 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.629 -1.335 -0.683 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.514 -3.454 -2.084 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.715 -2.833 -0.876 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.815 0.593 0.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.564 -0.869 0.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.386 1.798 1.996 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.730 1.074 2.203 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.803 1.257 -1.969 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.682 2.419 -1.919 1.00 0.00 C ATOM 1665 C GLU A 105 -14.930 2.974 -3.319 1.00 0.00 C ATOM 1666 O GLU A 105 -16.075 3.109 -3.752 1.00 0.00 O ATOM 1667 CB GLU A 105 -14.079 3.506 -1.027 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.493 3.396 0.431 1.00 0.00 C ATOM 1669 CD GLU A 105 -14.315 4.697 1.188 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -13.214 4.919 1.734 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -15.275 5.494 1.234 1.00 0.00 O ATOM 0 H GLU A 105 -13.015 1.296 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.636 2.102 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.992 3.456 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.377 4.483 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.537 3.088 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.905 2.616 0.914 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.849 3.296 -4.021 1.00 0.00 N ATOM 1679 CA PHE A 106 -13.948 3.838 -5.371 1.00 0.00 C ATOM 1680 C PHE A 106 -14.930 3.029 -6.212 1.00 0.00 C ATOM 1681 O PHE A 106 -15.765 3.589 -6.923 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.572 3.848 -6.042 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.635 3.758 -7.540 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.214 4.773 -8.284 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.116 2.658 -8.204 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.273 4.695 -9.663 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.172 2.574 -9.582 1.00 0.00 C ATOM 1688 CZ PHE A 106 -12.752 3.593 -10.312 1.00 0.00 C ATOM 0 H PHE A 106 -12.894 3.191 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.317 4.861 -5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.047 4.761 -5.763 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.984 3.013 -5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.624 5.636 -7.781 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -11.663 1.858 -7.638 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.726 5.494 -10.231 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.763 1.712 -10.088 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.798 3.528 -11.389 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.824 1.707 -6.126 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.703 0.819 -6.879 1.00 0.00 C ATOM 1700 C HIS A 107 -17.157 1.005 -6.454 1.00 0.00 C ATOM 1701 O HIS A 107 -18.069 0.926 -7.276 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.284 -0.638 -6.679 1.00 0.00 C ATOM 1703 CG HIS A 107 -13.982 -0.982 -7.335 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -13.785 -0.913 -8.698 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.808 -1.398 -6.806 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.546 -1.274 -8.979 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -11.931 -1.572 -7.849 1.00 0.00 N ATOM 0 H HIS A 107 -14.139 1.227 -5.543 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.616 1.073 -7.935 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.209 -0.842 -5.611 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.064 -1.289 -7.074 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.599 -1.563 -5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.110 -1.318 -9.966 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.963 -1.881 -7.764 1.00 0.00 H new ATOM 1716 N ASN A 108 -17.365 1.252 -5.164 1.00 0.00 N ATOM 1717 CA ASN A 108 -18.707 1.448 -4.630 1.00 0.00 C ATOM 1718 C ASN A 108 -19.255 2.816 -5.024 1.00 0.00 C ATOM 1719 O ASN A 108 -20.283 2.916 -5.693 1.00 0.00 O ATOM 1720 CB ASN A 108 -18.698 1.309 -3.107 1.00 0.00 C ATOM 1721 CG ASN A 108 -18.612 -0.137 -2.658 1.00 0.00 C ATOM 1722 OD1 ASN A 108 -19.488 -0.632 -1.948 1.00 0.00 O ATOM 1723 ND2 ASN A 108 -17.553 -0.823 -3.072 1.00 0.00 N ATOM 0 H ASN A 108 -16.621 1.321 -4.470 1.00 0.00 H new ATOM 0 HA ASN A 108 -19.355 0.681 -5.054 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -17.853 1.864 -2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.602 1.760 -2.699 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -17.441 -1.800 -2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -16.851 -0.373 -3.659 1.00 0.00 H new ATOM 1730 N SER A 109 -18.560 3.869 -4.605 1.00 0.00 N ATOM 1731 CA SER A 109 -18.978 5.232 -4.910 1.00 0.00 C ATOM 1732 C SER A 109 -19.096 5.439 -6.417 1.00 0.00 C ATOM 1733 O SER A 109 -18.341 4.874 -7.209 1.00 0.00 O ATOM 1734 CB SER A 109 -17.984 6.236 -4.323 1.00 0.00 C ATOM 1735 OG SER A 109 -16.696 6.071 -4.891 1.00 0.00 O ATOM 0 H SER A 109 -17.705 3.804 -4.053 1.00 0.00 H new ATOM 0 HA SER A 109 -19.957 5.395 -4.460 1.00 0.00 H new ATOM 0 HB2 SER A 109 -18.338 7.251 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.927 6.107 -3.242 1.00 0.00 H new ATOM 0 HG SER A 109 -16.351 5.182 -4.667 1.00 0.00 H new ATOM 1741 N PRO A 110 -20.068 6.268 -6.825 1.00 0.00 N ATOM 1742 CA PRO A 110 -20.310 6.570 -8.239 1.00 0.00 C ATOM 1743 C PRO A 110 -19.198 7.415 -8.850 1.00 0.00 C ATOM 1744 O PRO A 110 -18.494 8.151 -8.158 1.00 0.00 O ATOM 1745 CB PRO A 110 -21.625 7.352 -8.215 1.00 0.00 C ATOM 1746 CG PRO A 110 -21.682 7.957 -6.855 1.00 0.00 C ATOM 1747 CD PRO A 110 -21.006 6.975 -5.937 1.00 0.00 C ATOM 0 HA PRO A 110 -20.347 5.667 -8.848 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -21.644 8.118 -8.990 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -22.478 6.697 -8.393 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -21.176 8.922 -6.835 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -22.713 8.132 -6.548 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -20.486 7.479 -5.122 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -21.723 6.291 -5.483 1.00 0.00 H new ATOM 1755 N PRO A 111 -19.034 7.310 -10.177 1.00 0.00 N ATOM 1756 CA PRO A 111 -18.009 8.059 -10.910 1.00 0.00 C ATOM 1757 C PRO A 111 -18.312 9.553 -10.967 1.00 0.00 C ATOM 1758 O PRO A 111 -19.302 10.017 -10.402 1.00 0.00 O ATOM 1759 CB PRO A 111 -18.059 7.450 -12.313 1.00 0.00 C ATOM 1760 CG PRO A 111 -19.441 6.908 -12.441 1.00 0.00 C ATOM 1761 CD PRO A 111 -19.837 6.452 -11.064 1.00 0.00 C ATOM 0 HA PRO A 111 -17.032 7.985 -10.433 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -17.855 8.200 -13.078 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -17.313 6.664 -12.430 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -20.126 7.670 -12.812 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -19.471 6.080 -13.150 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -20.905 6.581 -10.889 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -19.615 5.396 -10.911 1.00 0.00 H new ATOM 1769 N ALA A 112 -17.454 10.300 -11.653 1.00 0.00 N ATOM 1770 CA ALA A 112 -17.632 11.741 -11.786 1.00 0.00 C ATOM 1771 C ALA A 112 -16.973 12.261 -13.059 1.00 0.00 C ATOM 1772 O ALA A 112 -15.961 11.735 -13.521 1.00 0.00 O ATOM 1773 CB ALA A 112 -17.068 12.457 -10.567 1.00 0.00 C ATOM 0 H ALA A 112 -16.629 9.932 -12.125 1.00 0.00 H new ATOM 0 HA ALA A 112 -18.701 11.945 -11.852 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -17.208 13.532 -10.680 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -17.588 12.115 -9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -16.004 12.237 -10.475 1.00 0.00 H new ATOM 1779 N PRO A 113 -17.560 13.317 -13.641 1.00 0.00 N ATOM 1780 CA PRO A 113 -17.046 13.931 -14.869 1.00 0.00 C ATOM 1781 C PRO A 113 -15.728 14.663 -14.644 1.00 0.00 C ATOM 1782 O PRO A 113 -15.714 15.849 -14.315 1.00 0.00 O ATOM 1783 CB PRO A 113 -18.148 14.920 -15.259 1.00 0.00 C ATOM 1784 CG PRO A 113 -18.836 15.244 -13.978 1.00 0.00 C ATOM 1785 CD PRO A 113 -18.770 13.994 -13.144 1.00 0.00 C ATOM 0 HA PRO A 113 -16.830 13.188 -15.637 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.732 15.815 -15.722 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -18.838 14.480 -15.979 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -18.347 16.077 -13.472 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -19.870 15.541 -14.155 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -18.694 14.223 -12.081 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -19.659 13.376 -13.274 1.00 0.00 H new ATOM 1793 N SER A 114 -14.621 13.949 -14.823 1.00 0.00 N ATOM 1794 CA SER A 114 -13.297 14.530 -14.636 1.00 0.00 C ATOM 1795 C SER A 114 -12.908 15.392 -15.834 1.00 0.00 C ATOM 1796 O SER A 114 -13.618 15.437 -16.837 1.00 0.00 O ATOM 1797 CB SER A 114 -12.258 13.428 -14.427 1.00 0.00 C ATOM 1798 OG SER A 114 -11.878 12.845 -15.662 1.00 0.00 O ATOM 0 H SER A 114 -14.615 12.967 -15.097 1.00 0.00 H new ATOM 0 HA SER A 114 -13.327 15.163 -13.749 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.380 13.841 -13.931 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.665 12.660 -13.769 1.00 0.00 H new ATOM 0 HG SER A 114 -11.212 12.144 -15.502 1.00 0.00 H new ATOM 1804 N GLY A 115 -11.774 16.076 -15.719 1.00 0.00 N ATOM 1805 CA GLY A 115 -11.309 16.927 -16.799 1.00 0.00 C ATOM 1806 C GLY A 115 -10.095 16.357 -17.505 1.00 0.00 C ATOM 1807 O GLY A 115 -9.829 15.156 -17.456 1.00 0.00 O ATOM 0 H GLY A 115 -11.169 16.056 -14.898 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.114 17.065 -17.521 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.065 17.912 -16.402 1.00 0.00 H new ATOM 1811 N PRO A 116 -9.335 17.230 -18.183 1.00 0.00 N ATOM 1812 CA PRO A 116 -8.131 16.829 -18.917 1.00 0.00 C ATOM 1813 C PRO A 116 -6.997 16.414 -17.987 1.00 0.00 C ATOM 1814 O PRO A 116 -6.253 17.257 -17.485 1.00 0.00 O ATOM 1815 CB PRO A 116 -7.752 18.092 -19.693 1.00 0.00 C ATOM 1816 CG PRO A 116 -8.330 19.213 -18.899 1.00 0.00 C ATOM 1817 CD PRO A 116 -9.593 18.676 -18.285 1.00 0.00 C ATOM 0 HA PRO A 116 -8.310 15.961 -19.551 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.670 18.190 -19.786 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.159 18.072 -20.704 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.633 19.547 -18.130 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.540 20.074 -19.534 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -9.785 19.120 -17.308 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -10.463 18.886 -18.907 1.00 0.00 H new ATOM 1825 N SER A 117 -6.869 15.111 -17.760 1.00 0.00 N ATOM 1826 CA SER A 117 -5.827 14.585 -16.887 1.00 0.00 C ATOM 1827 C SER A 117 -4.523 14.389 -17.655 1.00 0.00 C ATOM 1828 O SER A 117 -4.496 14.462 -18.883 1.00 0.00 O ATOM 1829 CB SER A 117 -6.272 13.258 -16.268 1.00 0.00 C ATOM 1830 OG SER A 117 -7.374 13.446 -15.398 1.00 0.00 O ATOM 0 H SER A 117 -7.475 14.400 -18.169 1.00 0.00 H new ATOM 0 HA SER A 117 -5.655 15.309 -16.091 1.00 0.00 H new ATOM 0 HB2 SER A 117 -6.543 12.558 -17.058 1.00 0.00 H new ATOM 0 HB3 SER A 117 -5.442 12.813 -15.718 1.00 0.00 H new ATOM 0 HG SER A 117 -7.641 12.584 -15.017 1.00 0.00 H new ATOM 1836 N SER A 118 -3.443 14.139 -16.921 1.00 0.00 N ATOM 1837 CA SER A 118 -2.134 13.936 -17.531 1.00 0.00 C ATOM 1838 C SER A 118 -1.811 12.449 -17.641 1.00 0.00 C ATOM 1839 O SER A 118 -2.301 11.636 -16.859 1.00 0.00 O ATOM 1840 CB SER A 118 -1.052 14.645 -16.714 1.00 0.00 C ATOM 1841 OG SER A 118 -1.152 16.052 -16.848 1.00 0.00 O ATOM 0 H SER A 118 -3.449 14.072 -15.903 1.00 0.00 H new ATOM 0 HA SER A 118 -2.158 14.360 -18.535 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.146 14.369 -15.664 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.067 14.314 -17.044 1.00 0.00 H new ATOM 0 HG SER A 118 -0.451 16.482 -16.315 1.00 0.00 H new ATOM 1847 N GLY A 119 -0.981 12.101 -18.620 1.00 0.00 N ATOM 1848 CA GLY A 119 -0.606 10.713 -18.817 1.00 0.00 C ATOM 1849 C GLY A 119 -0.639 10.305 -20.276 1.00 0.00 C ATOM 1850 O GLY A 119 -1.700 9.991 -20.816 1.00 0.00 O ATOM 0 H GLY A 119 -0.562 12.756 -19.280 1.00 0.00 H new ATOM 0 HA2 GLY A 119 0.396 10.551 -18.420 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -1.281 10.073 -18.249 1.00 0.00 H new TER 1854 GLY A 119