USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1051 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 10 SER OG : rot -120:sc= -0.381 USER MOD Set 1.2: A 105 LYS NZ :NH3+ 137:sc= 0.0226 (180deg=-0.196) USER MOD Single : A 1 TYR N :NH3+ 136:sc= 0.334 (180deg=0.0574) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 157:sc= 0.968 (180deg=0.475) USER MOD Single : A 8 TYR OH : rot 162:sc= 0.755 USER MOD Single : A 9 CYS SG : rot 85:sc= -4.27! USER MOD Single : A 11 ASN : amide:sc= -0.0884 K(o=-0.088,f=-1.5!) USER MOD Single : A 14 HIS : no HE2:sc= 0.652 K(o=0.65,f=-4!) USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.208 USER MOD Single : A 27 THR OG1 : rot -150:sc= -0.0362 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.643 K(o=-0.64,f=0) USER MOD Single : A 34 HIS : no HE2:sc= 0.256 K(o=0.26,f=-3!) USER MOD Single : A 36 GLN : amide:sc= -5.44! C(o=-5.4!,f=-9!) USER MOD Single : A 38 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.1!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0221 USER MOD Single : A 50 LYS NZ :NH3+ 157:sc= -0.83 (180deg=-2.15!) USER MOD Single : A 51 SER OG : rot 174:sc= 1.2 USER MOD Single : A 52 THR OG1 : rot 92:sc= -1.66! USER MOD Single : A 54 THR OG1 : rot -135:sc= 0.858 USER MOD Single : A 56 GLN : amide:sc= -13.6! C(o=-14!,f=-6.6!) USER MOD Single : A 57 TYR OH : rot -123:sc= 1.32 USER MOD Single : A 60 MET CE :methyl -149:sc= -1.41 (180deg=-2.68!) USER MOD Single : A 62 THR OG1 : rot 7:sc= 1.05 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 121:sc= -0.132 USER MOD Single : A 70 GLN : amide:sc=-0.00293 X(o=-0.0029,f=-0.01) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.025 USER MOD Single : A 73 ASN : amide:sc= -1.77! K(o=-1.8!,f=-0.16) USER MOD Single : A 76 CYS SG : rot 165:sc= 1.27 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= 0.791 K(o=0.79,f=-2.7!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.011) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 112:sc= 1.23 USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= 0.177 (180deg=-0.1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-6.9!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -1.98! K(o=-2!,f=-0.026) USER MOD Single : A 106 LYS NZ :NH3+ -112:sc= -0.172! (180deg=-3.96!) USER MOD Single : A 107 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.32) USER MOD Single : A 109 SER OG : rot 180:sc=-0.00693 USER MOD Single : A 110 CYS SG : rot -125:sc= -4.11! USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0261) USER MOD Single : A 116 THR OG1 : rot 117:sc= -2.33! USER MOD Single : A 117 HIS : no HD1:sc= -2.19 K(o=-2.2,f=0.3) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.888 X(o=-0.89,f=-0.51) USER MOD Single : A 121 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0367) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.095 -8.811 9.482 1.00 2.41 N ATOM 2 CA TYR A 1 15.497 -8.101 8.330 1.00 2.09 C ATOM 3 C TYR A 1 14.929 -6.768 8.788 1.00 2.03 C ATOM 4 O TYR A 1 14.918 -6.467 9.982 1.00 2.57 O ATOM 5 CB TYR A 1 14.373 -8.936 7.704 1.00 2.90 C ATOM 6 CG TYR A 1 14.782 -10.336 7.315 1.00 3.87 C ATOM 7 CD1 TYR A 1 15.684 -10.559 6.284 1.00 4.39 C ATOM 8 CD2 TYR A 1 14.264 -11.437 7.984 1.00 4.74 C ATOM 9 CE1 TYR A 1 16.056 -11.841 5.928 1.00 5.57 C ATOM 10 CE2 TYR A 1 14.630 -12.720 7.636 1.00 5.86 C ATOM 11 CZ TYR A 1 15.526 -12.917 6.608 1.00 6.21 C ATOM 12 OH TYR A 1 15.897 -14.196 6.259 1.00 7.47 O ATOM 0 H1 TYR A 1 15.814 -9.812 9.456 1.00 2.41 H new ATOM 0 H2 TYR A 1 17.131 -8.741 9.433 1.00 2.41 H new ATOM 0 H3 TYR A 1 15.760 -8.380 10.367 1.00 2.41 H new ATOM 0 HA TYR A 1 16.276 -7.938 7.585 1.00 2.09 H new ATOM 0 HB2 TYR A 1 13.544 -8.995 8.409 1.00 2.90 H new ATOM 0 HB3 TYR A 1 14.002 -8.419 6.819 1.00 2.90 H new ATOM 0 HD1 TYR A 1 16.102 -9.717 5.752 1.00 4.39 H new ATOM 0 HD2 TYR A 1 13.562 -11.286 8.791 1.00 4.74 H new ATOM 0 HE1 TYR A 1 16.757 -11.999 5.122 1.00 5.57 H new ATOM 0 HE2 TYR A 1 14.217 -13.565 8.166 1.00 5.86 H new ATOM 0 HH TYR A 1 15.435 -14.840 6.836 1.00 7.47 H new ATOM 24 N LYS A 2 14.459 -5.976 7.840 1.00 2.03 N ATOM 25 CA LYS A 2 13.833 -4.707 8.154 1.00 2.09 C ATOM 26 C LYS A 2 12.323 -4.869 8.206 1.00 1.28 C ATOM 27 O LYS A 2 11.741 -5.665 7.473 1.00 1.83 O ATOM 28 CB LYS A 2 14.210 -3.650 7.116 1.00 3.32 C ATOM 29 CG LYS A 2 15.622 -3.109 7.264 1.00 4.26 C ATOM 30 CD LYS A 2 15.739 -2.198 8.473 1.00 5.27 C ATOM 31 CE LYS A 2 17.130 -1.600 8.593 1.00 6.31 C ATOM 32 NZ LYS A 2 17.214 -0.614 9.703 1.00 6.96 N ATOM 0 H LYS A 2 14.500 -6.192 6.844 1.00 2.03 H new ATOM 0 HA LYS A 2 14.190 -4.378 9.130 1.00 2.09 H new ATOM 0 HB2 LYS A 2 14.100 -4.079 6.120 1.00 3.32 H new ATOM 0 HB3 LYS A 2 13.506 -2.821 7.186 1.00 3.32 H new ATOM 0 HG2 LYS A 2 16.323 -3.938 7.361 1.00 4.26 H new ATOM 0 HG3 LYS A 2 15.900 -2.560 6.364 1.00 4.26 H new ATOM 0 HD2 LYS A 2 15.004 -1.397 8.398 1.00 5.27 H new ATOM 0 HD3 LYS A 2 15.506 -2.761 9.377 1.00 5.27 H new ATOM 0 HE2 LYS A 2 17.855 -2.397 8.759 1.00 6.31 H new ATOM 0 HE3 LYS A 2 17.399 -1.115 7.655 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 18.179 -0.228 9.753 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 16.540 0.160 9.532 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 16.982 -1.083 10.602 1.00 6.96 H new ATOM 46 N LYS A 3 11.713 -4.104 9.089 1.00 0.93 N ATOM 47 CA LYS A 3 10.275 -4.142 9.316 1.00 0.96 C ATOM 48 C LYS A 3 9.478 -3.445 8.215 1.00 0.78 C ATOM 49 O LYS A 3 8.425 -3.951 7.827 1.00 1.17 O ATOM 50 CB LYS A 3 9.965 -3.480 10.644 1.00 1.91 C ATOM 51 CG LYS A 3 10.356 -4.308 11.863 1.00 2.62 C ATOM 52 CD LYS A 3 9.204 -5.174 12.359 1.00 3.43 C ATOM 53 CE LYS A 3 8.771 -6.216 11.339 1.00 4.25 C ATOM 54 NZ LYS A 3 9.758 -7.319 11.200 1.00 4.81 N ATOM 0 H LYS A 3 12.203 -3.430 9.677 1.00 0.93 H new ATOM 0 HA LYS A 3 9.977 -5.190 9.317 1.00 0.96 H new ATOM 0 HB2 LYS A 3 10.483 -2.522 10.689 1.00 1.91 H new ATOM 0 HB3 LYS A 3 8.897 -3.268 10.691 1.00 1.91 H new ATOM 0 HG2 LYS A 3 11.205 -4.944 11.612 1.00 2.62 H new ATOM 0 HG3 LYS A 3 10.681 -3.643 12.664 1.00 2.62 H new ATOM 0 HD2 LYS A 3 9.502 -5.675 13.280 1.00 3.43 H new ATOM 0 HD3 LYS A 3 8.355 -4.536 12.604 1.00 3.43 H new ATOM 0 HE2 LYS A 3 7.807 -6.630 11.634 1.00 4.25 H new ATOM 0 HE3 LYS A 3 8.629 -5.735 10.371 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 9.418 -8.003 10.494 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 10.672 -6.930 10.892 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 9.876 -7.797 12.116 1.00 4.81 H new ATOM 68 N PRO A 4 9.916 -2.256 7.725 1.00 0.45 N ATOM 69 CA PRO A 4 9.261 -1.595 6.600 1.00 0.41 C ATOM 70 C PRO A 4 8.991 -2.568 5.465 1.00 0.39 C ATOM 71 O PRO A 4 9.855 -3.346 5.075 1.00 0.53 O ATOM 72 CB PRO A 4 10.252 -0.504 6.162 1.00 0.59 C ATOM 73 CG PRO A 4 11.478 -0.709 6.994 1.00 0.72 C ATOM 74 CD PRO A 4 11.037 -1.447 8.222 1.00 0.80 C ATOM 0 HA PRO A 4 8.289 -1.188 6.878 1.00 0.41 H new ATOM 0 HB2 PRO A 4 10.482 -0.588 5.100 1.00 0.59 H new ATOM 0 HB3 PRO A 4 9.834 0.490 6.320 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.228 -1.279 6.446 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.933 0.246 7.257 1.00 0.72 H new ATOM 0 HD2 PRO A 4 11.835 -2.067 8.630 1.00 0.80 H new ATOM 0 HD3 PRO A 4 10.726 -0.766 9.014 1.00 0.80 H new ATOM 82 N LYS A 5 7.777 -2.535 4.965 1.00 0.38 N ATOM 83 CA LYS A 5 7.342 -3.456 3.944 1.00 0.38 C ATOM 84 C LYS A 5 7.476 -2.807 2.577 1.00 0.35 C ATOM 85 O LYS A 5 7.434 -1.585 2.444 1.00 0.40 O ATOM 86 CB LYS A 5 5.881 -3.858 4.181 1.00 0.44 C ATOM 87 CG LYS A 5 5.584 -4.344 5.595 1.00 1.16 C ATOM 88 CD LYS A 5 6.239 -5.682 5.890 1.00 1.64 C ATOM 89 CE LYS A 5 5.965 -6.132 7.319 1.00 2.57 C ATOM 90 NZ LYS A 5 4.509 -6.285 7.594 1.00 3.33 N ATOM 0 H LYS A 5 7.063 -1.867 5.256 1.00 0.38 H new ATOM 0 HA LYS A 5 7.967 -4.348 3.985 1.00 0.38 H new ATOM 0 HB2 LYS A 5 5.241 -3.003 3.962 1.00 0.44 H new ATOM 0 HB3 LYS A 5 5.614 -4.645 3.476 1.00 0.44 H new ATOM 0 HG2 LYS A 5 5.935 -3.603 6.313 1.00 1.16 H new ATOM 0 HG3 LYS A 5 4.506 -4.432 5.728 1.00 1.16 H new ATOM 0 HD2 LYS A 5 5.867 -6.433 5.193 1.00 1.64 H new ATOM 0 HD3 LYS A 5 7.315 -5.605 5.731 1.00 1.64 H new ATOM 0 HE2 LYS A 5 6.469 -7.081 7.502 1.00 2.57 H new ATOM 0 HE3 LYS A 5 6.390 -5.407 8.014 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 4.373 -6.937 8.393 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 4.101 -5.358 7.830 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 4.035 -6.667 6.751 1.00 3.33 H new ATOM 104 N LEU A 6 7.651 -3.634 1.575 1.00 0.35 N ATOM 105 CA LEU A 6 7.749 -3.188 0.207 1.00 0.37 C ATOM 106 C LEU A 6 6.410 -3.344 -0.487 1.00 0.37 C ATOM 107 O LEU A 6 5.647 -4.268 -0.188 1.00 0.46 O ATOM 108 CB LEU A 6 8.846 -3.985 -0.509 1.00 0.51 C ATOM 109 CG LEU A 6 8.712 -4.116 -2.025 1.00 0.64 C ATOM 110 CD1 LEU A 6 10.080 -4.169 -2.662 1.00 1.24 C ATOM 111 CD2 LEU A 6 7.938 -5.373 -2.392 1.00 1.49 C ATOM 0 H LEU A 6 7.730 -4.645 1.688 1.00 0.35 H new ATOM 0 HA LEU A 6 8.016 -2.132 0.180 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.806 -3.517 -0.290 1.00 0.51 H new ATOM 0 HB3 LEU A 6 8.875 -4.987 -0.081 1.00 0.51 H new ATOM 0 HG LEU A 6 8.168 -3.246 -2.394 1.00 0.64 H new ATOM 0 HD11 LEU A 6 9.975 -4.262 -3.743 1.00 1.24 H new ATOM 0 HD12 LEU A 6 10.626 -3.255 -2.428 1.00 1.24 H new ATOM 0 HD13 LEU A 6 10.628 -5.028 -2.275 1.00 1.24 H new ATOM 0 HD21 LEU A 6 7.855 -5.446 -3.476 1.00 1.49 H new ATOM 0 HD22 LEU A 6 8.463 -6.248 -2.009 1.00 1.49 H new ATOM 0 HD23 LEU A 6 6.941 -5.327 -1.954 1.00 1.49 H new ATOM 123 N LEU A 7 6.143 -2.448 -1.418 1.00 0.36 N ATOM 124 CA LEU A 7 4.878 -2.425 -2.120 1.00 0.39 C ATOM 125 C LEU A 7 4.993 -3.188 -3.429 1.00 0.41 C ATOM 126 O LEU A 7 5.397 -2.632 -4.454 1.00 0.58 O ATOM 127 CB LEU A 7 4.497 -0.965 -2.396 1.00 0.55 C ATOM 128 CG LEU A 7 3.034 -0.677 -2.770 1.00 0.59 C ATOM 129 CD1 LEU A 7 2.658 -1.212 -4.136 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.092 -1.204 -1.698 1.00 1.25 C ATOM 0 H LEU A 7 6.795 -1.719 -1.707 1.00 0.36 H new ATOM 0 HA LEU A 7 4.109 -2.900 -1.511 1.00 0.39 H new ATOM 0 HB2 LEU A 7 4.740 -0.380 -1.509 1.00 0.55 H new ATOM 0 HB3 LEU A 7 5.130 -0.598 -3.204 1.00 0.55 H new ATOM 0 HG LEU A 7 2.931 0.407 -2.826 1.00 0.59 H new ATOM 0 HD11 LEU A 7 1.614 -0.978 -4.344 1.00 1.53 H new ATOM 0 HD12 LEU A 7 3.291 -0.751 -4.894 1.00 1.53 H new ATOM 0 HD13 LEU A 7 2.798 -2.293 -4.155 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.062 -0.990 -1.982 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.224 -2.281 -1.595 1.00 1.25 H new ATOM 0 HD23 LEU A 7 2.315 -0.719 -0.748 1.00 1.25 H new ATOM 142 N TYR A 8 4.672 -4.470 -3.390 1.00 0.50 N ATOM 143 CA TYR A 8 4.501 -5.216 -4.623 1.00 0.71 C ATOM 144 C TYR A 8 3.085 -5.799 -4.697 1.00 0.44 C ATOM 145 O TYR A 8 2.843 -6.880 -4.182 1.00 0.73 O ATOM 146 CB TYR A 8 5.559 -6.343 -4.609 1.00 1.29 C ATOM 147 CG TYR A 8 5.569 -7.297 -5.786 1.00 1.60 C ATOM 148 CD1 TYR A 8 4.618 -8.303 -5.891 1.00 1.84 C ATOM 149 CD2 TYR A 8 6.504 -7.173 -6.808 1.00 2.21 C ATOM 150 CE1 TYR A 8 4.604 -9.159 -6.974 1.00 2.43 C ATOM 151 CE2 TYR A 8 6.498 -8.025 -7.891 1.00 2.93 C ATOM 152 CZ TYR A 8 5.626 -9.077 -7.919 1.00 2.96 C ATOM 153 OH TYR A 8 5.554 -9.874 -9.038 1.00 3.74 O ATOM 0 H TYR A 8 4.527 -5.007 -2.535 1.00 0.50 H new ATOM 0 HA TYR A 8 4.632 -4.575 -5.495 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.544 -5.881 -4.540 1.00 1.29 H new ATOM 0 HB3 TYR A 8 5.417 -6.928 -3.701 1.00 1.29 H new ATOM 0 HD1 TYR A 8 3.878 -8.418 -5.113 1.00 1.84 H new ATOM 0 HD2 TYR A 8 7.249 -6.394 -6.752 1.00 2.21 H new ATOM 0 HE1 TYR A 8 3.811 -9.883 -7.088 1.00 2.43 H new ATOM 0 HE2 TYR A 8 7.179 -7.862 -8.713 1.00 2.93 H new ATOM 0 HH TYR A 8 6.152 -9.522 -9.730 1.00 3.74 H new ATOM 163 N CYS A 9 2.132 -5.096 -5.332 1.00 0.63 N ATOM 164 CA CYS A 9 0.873 -5.752 -5.700 1.00 0.75 C ATOM 165 C CYS A 9 0.494 -5.518 -7.161 1.00 1.05 C ATOM 166 O CYS A 9 -0.302 -4.643 -7.496 1.00 1.99 O ATOM 167 CB CYS A 9 -0.229 -5.218 -4.809 1.00 1.57 C ATOM 168 SG CYS A 9 -0.273 -3.430 -4.734 1.00 2.64 S ATOM 0 H CYS A 9 2.205 -4.112 -5.592 1.00 0.63 H new ATOM 0 HA CYS A 9 1.005 -6.826 -5.568 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -1.190 -5.583 -5.172 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -0.097 -5.614 -3.802 1.00 1.57 H new ATOM 0 HG CYS A 9 -0.955 -2.970 -5.741 1.00 2.64 H new ATOM 174 N SER A 10 1.124 -6.258 -8.016 1.00 0.83 N ATOM 175 CA SER A 10 0.658 -6.604 -9.339 1.00 1.29 C ATOM 176 C SER A 10 1.151 -8.018 -9.537 1.00 0.84 C ATOM 177 O SER A 10 2.141 -8.357 -8.884 1.00 1.34 O ATOM 178 CB SER A 10 1.226 -5.651 -10.391 1.00 2.36 C ATOM 179 OG SER A 10 0.318 -5.459 -11.460 1.00 3.16 O ATOM 0 H SER A 10 2.034 -6.667 -7.805 1.00 0.83 H new ATOM 0 HA SER A 10 -0.424 -6.526 -9.441 1.00 1.29 H new ATOM 0 HB2 SER A 10 1.454 -4.691 -9.929 1.00 2.36 H new ATOM 0 HB3 SER A 10 2.164 -6.050 -10.776 1.00 2.36 H new ATOM 0 HG SER A 10 0.734 -5.749 -12.299 1.00 3.16 H new ATOM 185 N ASN A 11 0.590 -8.863 -10.370 1.00 1.45 N ATOM 186 CA ASN A 11 1.454 -9.956 -10.772 1.00 1.79 C ATOM 187 C ASN A 11 2.333 -9.413 -11.901 1.00 1.40 C ATOM 188 O ASN A 11 1.934 -9.372 -13.064 1.00 1.83 O ATOM 189 CB ASN A 11 0.655 -11.179 -11.222 1.00 2.89 C ATOM 190 CG ASN A 11 1.541 -12.395 -11.391 1.00 3.45 C ATOM 191 OD1 ASN A 11 2.591 -12.503 -10.759 1.00 3.71 O ATOM 192 ND2 ASN A 11 1.124 -13.322 -12.233 1.00 4.02 N ATOM 0 H ASN A 11 -0.356 -8.833 -10.751 1.00 1.45 H new ATOM 0 HA ASN A 11 2.059 -10.299 -9.933 1.00 1.79 H new ATOM 0 HB2 ASN A 11 -0.123 -11.395 -10.490 1.00 2.89 H new ATOM 0 HB3 ASN A 11 0.154 -10.960 -12.165 1.00 2.89 H new ATOM 0 HD21 ASN A 11 1.679 -14.166 -12.378 1.00 4.02 H new ATOM 0 HD22 ASN A 11 0.247 -13.195 -12.738 1.00 4.02 H new ATOM 199 N GLY A 12 3.534 -8.979 -11.517 1.00 1.41 N ATOM 200 CA GLY A 12 4.457 -8.336 -12.443 1.00 1.36 C ATOM 201 C GLY A 12 5.884 -8.381 -11.938 1.00 1.49 C ATOM 202 O GLY A 12 6.413 -9.435 -11.607 1.00 2.34 O ATOM 0 H GLY A 12 3.889 -9.064 -10.564 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.399 -8.828 -13.414 1.00 1.36 H new ATOM 0 HA3 GLY A 12 4.157 -7.299 -12.593 1.00 1.36 H new ATOM 206 N GLY A 13 6.490 -7.189 -11.879 1.00 0.97 N ATOM 207 CA GLY A 13 7.635 -6.957 -11.017 1.00 1.26 C ATOM 208 C GLY A 13 8.081 -5.497 -11.027 1.00 0.84 C ATOM 209 O GLY A 13 9.044 -5.130 -11.694 1.00 0.89 O ATOM 0 H GLY A 13 6.200 -6.376 -12.422 1.00 0.97 H new ATOM 0 HA2 GLY A 13 7.385 -7.251 -9.998 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.463 -7.590 -11.338 1.00 1.26 H new ATOM 213 N HIS A 14 7.370 -4.668 -10.265 1.00 0.78 N ATOM 214 CA HIS A 14 7.753 -3.293 -10.006 1.00 0.61 C ATOM 215 C HIS A 14 7.648 -3.071 -8.512 1.00 0.61 C ATOM 216 O HIS A 14 7.054 -3.894 -7.821 1.00 0.92 O ATOM 217 CB HIS A 14 6.875 -2.296 -10.773 1.00 0.85 C ATOM 218 CG HIS A 14 7.503 -1.779 -12.035 1.00 0.75 C ATOM 219 ND1 HIS A 14 6.786 -1.179 -13.053 1.00 1.31 N ATOM 220 CD2 HIS A 14 8.800 -1.746 -12.430 1.00 1.07 C ATOM 221 CE1 HIS A 14 7.614 -0.801 -14.009 1.00 1.17 C ATOM 222 NE2 HIS A 14 8.838 -1.132 -13.653 1.00 0.95 N ATOM 0 H HIS A 14 6.501 -4.942 -9.807 1.00 0.78 H new ATOM 0 HA HIS A 14 8.772 -3.123 -10.353 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.928 -2.776 -11.020 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.645 -1.453 -10.121 1.00 0.85 H new ATOM 0 HD1 HIS A 14 5.774 -1.049 -13.064 1.00 1.31 H new ATOM 0 HD2 HIS A 14 9.646 -2.133 -11.881 1.00 1.07 H new ATOM 0 HE1 HIS A 14 7.335 -0.305 -14.927 1.00 1.17 H new ATOM 231 N PHE A 15 8.219 -2.003 -8.008 1.00 0.49 N ATOM 232 CA PHE A 15 8.103 -1.687 -6.599 1.00 0.45 C ATOM 233 C PHE A 15 7.727 -0.222 -6.444 1.00 0.39 C ATOM 234 O PHE A 15 8.397 0.655 -6.977 1.00 0.41 O ATOM 235 CB PHE A 15 9.417 -2.018 -5.889 1.00 0.51 C ATOM 236 CG PHE A 15 9.935 -3.394 -6.222 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.291 -4.524 -5.749 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.074 -3.555 -6.996 1.00 1.15 C ATOM 239 CE1 PHE A 15 9.767 -5.787 -6.043 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.556 -4.816 -7.292 1.00 1.62 C ATOM 241 CZ PHE A 15 10.883 -5.930 -6.858 1.00 1.82 C ATOM 0 H PHE A 15 8.769 -1.337 -8.550 1.00 0.49 H new ATOM 0 HA PHE A 15 7.318 -2.287 -6.138 1.00 0.45 H new ATOM 0 HB2 PHE A 15 10.168 -1.277 -6.162 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.271 -1.942 -4.812 1.00 0.51 H new ATOM 0 HD1 PHE A 15 8.404 -4.417 -5.142 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.591 -2.684 -7.372 1.00 1.15 H new ATOM 0 HE1 PHE A 15 9.274 -6.660 -5.641 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.464 -4.925 -7.866 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.219 -6.914 -7.149 1.00 1.82 H new ATOM 251 N LEU A 16 6.675 0.042 -5.695 1.00 0.43 N ATOM 252 CA LEU A 16 6.040 1.336 -5.696 1.00 0.50 C ATOM 253 C LEU A 16 6.667 2.245 -4.631 1.00 0.48 C ATOM 254 O LEU A 16 6.740 1.898 -3.454 1.00 0.64 O ATOM 255 CB LEU A 16 4.552 1.062 -5.482 1.00 0.75 C ATOM 256 CG LEU A 16 3.624 2.244 -5.298 1.00 1.35 C ATOM 257 CD1 LEU A 16 2.354 2.037 -6.110 1.00 2.23 C ATOM 258 CD2 LEU A 16 3.281 2.379 -3.833 1.00 1.59 C ATOM 0 H LEU A 16 6.240 -0.637 -5.070 1.00 0.43 H new ATOM 0 HA LEU A 16 6.179 1.879 -6.631 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.193 0.488 -6.336 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.454 0.423 -4.604 1.00 0.75 H new ATOM 0 HG LEU A 16 4.117 3.153 -5.643 1.00 1.35 H new ATOM 0 HD11 LEU A 16 1.691 2.891 -5.973 1.00 2.23 H new ATOM 0 HD12 LEU A 16 2.609 1.941 -7.166 1.00 2.23 H new ATOM 0 HD13 LEU A 16 1.851 1.130 -5.774 1.00 2.23 H new ATOM 0 HD21 LEU A 16 2.613 3.229 -3.693 1.00 1.59 H new ATOM 0 HD22 LEU A 16 2.789 1.469 -3.489 1.00 1.59 H new ATOM 0 HD23 LEU A 16 4.194 2.537 -3.259 1.00 1.59 H new ATOM 270 N ARG A 17 7.139 3.404 -5.101 1.00 0.40 N ATOM 271 CA ARG A 17 8.088 4.251 -4.371 1.00 0.42 C ATOM 272 C ARG A 17 7.545 5.672 -4.343 1.00 0.35 C ATOM 273 O ARG A 17 6.768 6.049 -5.231 1.00 0.37 O ATOM 274 CB ARG A 17 9.480 4.198 -5.031 1.00 0.59 C ATOM 275 CG ARG A 17 9.790 5.320 -6.015 1.00 1.00 C ATOM 276 CD ARG A 17 8.974 5.208 -7.287 1.00 1.17 C ATOM 277 NE ARG A 17 9.351 6.222 -8.269 1.00 1.46 N ATOM 278 CZ ARG A 17 8.560 7.226 -8.633 1.00 1.93 C ATOM 279 NH1 ARG A 17 7.402 7.417 -8.011 1.00 2.43 N ATOM 280 NH2 ARG A 17 8.938 8.054 -9.598 1.00 2.61 N ATOM 0 H ARG A 17 6.870 3.785 -6.008 1.00 0.40 H new ATOM 0 HA ARG A 17 8.202 3.888 -3.349 1.00 0.42 H new ATOM 0 HB2 ARG A 17 10.235 4.211 -4.245 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.578 3.246 -5.552 1.00 0.59 H new ATOM 0 HG2 ARG A 17 9.591 6.281 -5.541 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.851 5.300 -6.263 1.00 1.00 H new ATOM 0 HD2 ARG A 17 9.110 4.217 -7.719 1.00 1.17 H new ATOM 0 HD3 ARG A 17 7.915 5.310 -7.049 1.00 1.17 H new ATOM 0 HE ARG A 17 10.273 6.156 -8.699 1.00 1.46 H new ATOM 0 HH11 ARG A 17 7.120 6.793 -7.255 1.00 2.43 H new ATOM 0 HH12 ARG A 17 6.794 8.187 -8.290 1.00 2.43 H new ATOM 0 HH21 ARG A 17 9.837 7.920 -10.062 1.00 2.61 H new ATOM 0 HH22 ARG A 17 8.330 8.824 -9.876 1.00 2.61 H new ATOM 294 N ILE A 18 7.934 6.469 -3.362 1.00 0.33 N ATOM 295 CA ILE A 18 7.335 7.777 -3.220 1.00 0.31 C ATOM 296 C ILE A 18 8.119 8.841 -3.964 1.00 0.32 C ATOM 297 O ILE A 18 9.351 8.808 -4.056 1.00 0.36 O ATOM 298 CB ILE A 18 7.212 8.213 -1.748 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.590 8.363 -1.093 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.350 7.237 -0.966 1.00 0.41 C ATOM 301 CD1 ILE A 18 9.067 9.797 -0.983 1.00 0.91 C ATOM 0 H ILE A 18 8.646 6.238 -2.669 1.00 0.33 H new ATOM 0 HA ILE A 18 6.338 7.683 -3.650 1.00 0.31 H new ATOM 0 HB ILE A 18 6.727 9.189 -1.732 1.00 0.36 H new ATOM 0 HG12 ILE A 18 8.557 7.924 -0.096 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.319 7.792 -1.668 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.278 7.565 0.071 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.353 7.199 -1.405 1.00 0.41 H new ATOM 0 HG23 ILE A 18 6.800 6.245 -1.002 1.00 0.41 H new ATOM 0 HD11 ILE A 18 10.048 9.819 -0.509 1.00 0.91 H new ATOM 0 HD12 ILE A 18 9.135 10.235 -1.979 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.361 10.370 -0.382 1.00 0.91 H new ATOM 313 N LEU A 19 7.364 9.760 -4.520 1.00 0.36 N ATOM 314 CA LEU A 19 7.892 10.945 -5.148 1.00 0.42 C ATOM 315 C LEU A 19 7.322 12.137 -4.393 1.00 0.41 C ATOM 316 O LEU A 19 6.144 12.120 -4.034 1.00 0.43 O ATOM 317 CB LEU A 19 7.466 10.976 -6.622 1.00 0.54 C ATOM 318 CG LEU A 19 8.110 12.062 -7.486 1.00 0.96 C ATOM 319 CD1 LEU A 19 9.594 11.792 -7.674 1.00 1.56 C ATOM 320 CD2 LEU A 19 7.409 12.149 -8.834 1.00 1.84 C ATOM 0 H LEU A 19 6.346 9.702 -4.548 1.00 0.36 H new ATOM 0 HA LEU A 19 8.981 10.965 -5.117 1.00 0.42 H new ATOM 0 HB2 LEU A 19 7.692 10.006 -7.065 1.00 0.54 H new ATOM 0 HB3 LEU A 19 6.384 11.101 -6.664 1.00 0.54 H new ATOM 0 HG LEU A 19 8.001 13.018 -6.974 1.00 0.96 H new ATOM 0 HD11 LEU A 19 10.031 12.577 -8.291 1.00 1.56 H new ATOM 0 HD12 LEU A 19 10.087 11.778 -6.702 1.00 1.56 H new ATOM 0 HD13 LEU A 19 9.729 10.828 -8.164 1.00 1.56 H new ATOM 0 HD21 LEU A 19 7.878 12.926 -9.438 1.00 1.84 H new ATOM 0 HD22 LEU A 19 7.489 11.191 -9.348 1.00 1.84 H new ATOM 0 HD23 LEU A 19 6.357 12.392 -8.682 1.00 1.84 H new ATOM 332 N PRO A 20 8.118 13.192 -4.148 1.00 0.54 N ATOM 333 CA PRO A 20 7.687 14.343 -3.334 1.00 0.67 C ATOM 334 C PRO A 20 6.697 15.228 -4.077 1.00 0.68 C ATOM 335 O PRO A 20 6.375 16.337 -3.652 1.00 0.84 O ATOM 336 CB PRO A 20 8.985 15.117 -3.089 1.00 0.89 C ATOM 337 CG PRO A 20 10.082 14.185 -3.475 1.00 0.96 C ATOM 338 CD PRO A 20 9.515 13.331 -4.568 1.00 0.70 C ATOM 0 HA PRO A 20 7.180 14.026 -2.423 1.00 0.67 H new ATOM 0 HB2 PRO A 20 9.017 16.029 -3.685 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.073 15.416 -2.044 1.00 0.89 H new ATOM 0 HG2 PRO A 20 10.959 14.733 -3.820 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.398 13.578 -2.627 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.603 13.806 -5.545 1.00 0.70 H new ATOM 0 HD3 PRO A 20 10.019 12.367 -4.636 1.00 0.70 H new ATOM 346 N ASP A 21 6.229 14.715 -5.194 1.00 0.62 N ATOM 347 CA ASP A 21 5.136 15.321 -5.936 1.00 0.78 C ATOM 348 C ASP A 21 3.811 14.947 -5.282 1.00 0.75 C ATOM 349 O ASP A 21 2.817 15.671 -5.383 1.00 0.99 O ATOM 350 CB ASP A 21 5.162 14.837 -7.388 1.00 0.94 C ATOM 351 CG ASP A 21 4.040 15.417 -8.225 1.00 1.51 C ATOM 352 OD1 ASP A 21 2.956 14.806 -8.276 1.00 2.30 O ATOM 353 OD2 ASP A 21 4.227 16.496 -8.822 1.00 1.71 O ATOM 0 H ASP A 21 6.595 13.862 -5.618 1.00 0.62 H new ATOM 0 HA ASP A 21 5.247 16.405 -5.926 1.00 0.78 H new ATOM 0 HB2 ASP A 21 6.119 15.104 -7.837 1.00 0.94 H new ATOM 0 HB3 ASP A 21 5.095 13.749 -7.404 1.00 0.94 H new ATOM 358 N GLY A 22 3.828 13.822 -4.576 1.00 0.59 N ATOM 359 CA GLY A 22 2.625 13.288 -3.970 1.00 0.72 C ATOM 360 C GLY A 22 2.230 11.974 -4.608 1.00 0.61 C ATOM 361 O GLY A 22 1.054 11.611 -4.640 1.00 0.81 O ATOM 0 H GLY A 22 4.666 13.265 -4.412 1.00 0.59 H new ATOM 0 HA2 GLY A 22 2.786 13.143 -2.902 1.00 0.72 H new ATOM 0 HA3 GLY A 22 1.812 14.006 -4.075 1.00 0.72 H new ATOM 365 N THR A 23 3.226 11.250 -5.095 1.00 0.43 N ATOM 366 CA THR A 23 3.013 10.063 -5.865 1.00 0.39 C ATOM 367 C THR A 23 3.612 8.874 -5.180 1.00 0.40 C ATOM 368 O THR A 23 4.702 8.962 -4.612 1.00 0.46 O ATOM 369 CB THR A 23 3.748 10.144 -7.191 1.00 0.44 C ATOM 370 OG1 THR A 23 4.091 11.508 -7.486 1.00 0.49 O ATOM 371 CG2 THR A 23 2.902 9.576 -8.309 1.00 0.59 C ATOM 0 H THR A 23 4.209 11.483 -4.958 1.00 0.43 H new ATOM 0 HA THR A 23 1.934 9.970 -5.993 1.00 0.39 H new ATOM 0 HB THR A 23 4.661 9.554 -7.110 1.00 0.44 H new ATOM 0 HG1 THR A 23 4.267 11.601 -8.446 1.00 0.49 H new ATOM 0 HG21 THR A 23 3.449 9.644 -9.250 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.673 8.532 -8.097 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.974 10.142 -8.387 1.00 0.59 H new ATOM 379 N VAL A 24 2.937 7.765 -5.257 1.00 0.47 N ATOM 380 CA VAL A 24 3.584 6.525 -4.975 1.00 0.56 C ATOM 381 C VAL A 24 3.224 5.529 -6.089 1.00 0.42 C ATOM 382 O VAL A 24 2.085 5.091 -6.242 1.00 0.50 O ATOM 383 CB VAL A 24 3.229 6.043 -3.550 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.893 5.337 -3.508 1.00 0.97 C ATOM 385 CG2 VAL A 24 4.347 5.190 -2.980 1.00 1.61 C ATOM 0 H VAL A 24 1.951 7.696 -5.510 1.00 0.47 H new ATOM 0 HA VAL A 24 4.669 6.632 -4.974 1.00 0.56 H new ATOM 0 HB VAL A 24 3.128 6.923 -2.914 1.00 0.91 H new ATOM 0 HG11 VAL A 24 1.683 5.015 -2.488 1.00 0.97 H new ATOM 0 HG12 VAL A 24 1.111 6.019 -3.841 1.00 0.97 H new ATOM 0 HG13 VAL A 24 1.920 4.467 -4.164 1.00 0.97 H new ATOM 0 HG21 VAL A 24 4.078 4.861 -1.976 1.00 1.61 H new ATOM 0 HG22 VAL A 24 4.502 4.320 -3.618 1.00 1.61 H new ATOM 0 HG23 VAL A 24 5.265 5.776 -2.936 1.00 1.61 H new ATOM 395 N ASP A 25 4.190 5.299 -6.955 1.00 0.37 N ATOM 396 CA ASP A 25 4.020 4.398 -8.097 1.00 0.37 C ATOM 397 C ASP A 25 5.182 3.438 -8.217 1.00 0.39 C ATOM 398 O ASP A 25 6.254 3.685 -7.664 1.00 0.43 O ATOM 399 CB ASP A 25 3.824 5.178 -9.403 1.00 0.48 C ATOM 400 CG ASP A 25 4.989 6.082 -9.754 1.00 0.80 C ATOM 401 OD1 ASP A 25 5.948 5.606 -10.396 1.00 1.10 O ATOM 402 OD2 ASP A 25 4.934 7.283 -9.411 1.00 1.16 O ATOM 0 H ASP A 25 5.115 5.725 -6.895 1.00 0.37 H new ATOM 0 HA ASP A 25 3.117 3.815 -7.917 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.666 4.471 -10.218 1.00 0.48 H new ATOM 0 HB3 ASP A 25 2.919 5.781 -9.324 1.00 0.48 H new ATOM 407 N GLY A 26 4.973 2.343 -8.942 1.00 0.38 N ATOM 408 CA GLY A 26 6.012 1.352 -9.073 1.00 0.40 C ATOM 409 C GLY A 26 7.135 1.746 -9.997 1.00 0.42 C ATOM 410 O GLY A 26 6.948 2.326 -11.063 1.00 0.52 O ATOM 0 H GLY A 26 4.106 2.130 -9.436 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.426 1.144 -8.086 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.569 0.424 -9.435 1.00 0.40 H new ATOM 414 N THR A 27 8.296 1.387 -9.535 1.00 0.42 N ATOM 415 CA THR A 27 9.571 1.624 -10.162 1.00 0.50 C ATOM 416 C THR A 27 10.434 0.431 -9.869 1.00 0.54 C ATOM 417 O THR A 27 10.216 -0.229 -8.856 1.00 0.56 O ATOM 418 CB THR A 27 10.204 2.920 -9.620 1.00 0.57 C ATOM 419 OG1 THR A 27 9.541 4.054 -10.193 1.00 0.67 O ATOM 420 CG2 THR A 27 11.692 2.986 -9.904 1.00 0.70 C ATOM 0 H THR A 27 8.388 0.887 -8.651 1.00 0.42 H new ATOM 0 HA THR A 27 9.461 1.753 -11.239 1.00 0.50 H new ATOM 0 HB THR A 27 10.080 2.927 -8.537 1.00 0.57 H new ATOM 0 HG1 THR A 27 10.171 4.802 -10.260 1.00 0.67 H new ATOM 0 HG21 THR A 27 12.098 3.916 -9.505 1.00 0.70 H new ATOM 0 HG22 THR A 27 12.191 2.140 -9.431 1.00 0.70 H new ATOM 0 HG23 THR A 27 11.859 2.950 -10.981 1.00 0.70 H new ATOM 428 N ARG A 28 11.372 0.078 -10.723 1.00 0.64 N ATOM 429 CA ARG A 28 12.230 -0.977 -10.293 1.00 0.71 C ATOM 430 C ARG A 28 13.301 -0.346 -9.425 1.00 0.65 C ATOM 431 O ARG A 28 14.091 0.500 -9.839 1.00 0.72 O ATOM 432 CB ARG A 28 12.781 -1.810 -11.470 1.00 0.91 C ATOM 433 CG ARG A 28 13.456 -1.024 -12.594 1.00 1.56 C ATOM 434 CD ARG A 28 14.912 -0.702 -12.281 1.00 1.84 C ATOM 435 NE ARG A 28 15.687 -1.900 -11.954 1.00 2.32 N ATOM 436 CZ ARG A 28 16.759 -1.905 -11.159 1.00 2.92 C ATOM 437 NH1 ARG A 28 17.198 -0.776 -10.610 1.00 3.18 N ATOM 438 NH2 ARG A 28 17.390 -3.047 -10.917 1.00 3.76 N ATOM 0 H ARG A 28 11.545 0.476 -11.646 1.00 0.64 H new ATOM 0 HA ARG A 28 11.679 -1.712 -9.707 1.00 0.71 H new ATOM 0 HB2 ARG A 28 13.499 -2.528 -11.075 1.00 0.91 H new ATOM 0 HB3 ARG A 28 11.959 -2.384 -11.898 1.00 0.91 H new ATOM 0 HG2 ARG A 28 13.404 -1.599 -13.518 1.00 1.56 H new ATOM 0 HG3 ARG A 28 12.910 -0.096 -12.765 1.00 1.56 H new ATOM 0 HD2 ARG A 28 15.364 -0.202 -13.138 1.00 1.84 H new ATOM 0 HD3 ARG A 28 14.956 -0.004 -11.445 1.00 1.84 H new ATOM 0 HE ARG A 28 15.389 -2.787 -12.359 1.00 2.32 H new ATOM 0 HH11 ARG A 28 16.715 0.103 -10.795 1.00 3.18 H new ATOM 0 HH12 ARG A 28 18.018 -0.789 -10.004 1.00 3.18 H new ATOM 0 HH21 ARG A 28 17.055 -3.914 -11.338 1.00 3.76 H new ATOM 0 HH22 ARG A 28 18.210 -3.058 -10.310 1.00 3.76 H new ATOM 452 N ASP A 29 13.232 -0.738 -8.182 1.00 0.68 N ATOM 453 CA ASP A 29 14.068 -0.219 -7.134 1.00 0.69 C ATOM 454 C ASP A 29 14.478 -1.362 -6.224 1.00 0.81 C ATOM 455 O ASP A 29 13.881 -2.432 -6.244 1.00 1.48 O ATOM 456 CB ASP A 29 13.327 0.871 -6.350 1.00 1.04 C ATOM 457 CG ASP A 29 14.259 1.727 -5.513 1.00 1.58 C ATOM 458 OD1 ASP A 29 15.355 2.076 -5.995 1.00 1.84 O ATOM 459 OD2 ASP A 29 13.907 2.035 -4.356 1.00 2.20 O ATOM 0 H ASP A 29 12.574 -1.448 -7.861 1.00 0.68 H new ATOM 0 HA ASP A 29 14.961 0.235 -7.563 1.00 0.69 H new ATOM 0 HB2 ASP A 29 12.783 1.508 -7.047 1.00 1.04 H new ATOM 0 HB3 ASP A 29 12.586 0.405 -5.700 1.00 1.04 H new ATOM 464 N ARG A 30 15.468 -1.111 -5.418 1.00 0.62 N ATOM 465 CA ARG A 30 16.215 -2.145 -4.718 1.00 0.91 C ATOM 466 C ARG A 30 15.560 -2.614 -3.430 1.00 1.03 C ATOM 467 O ARG A 30 16.226 -3.240 -2.604 1.00 1.18 O ATOM 468 CB ARG A 30 17.521 -1.508 -4.328 1.00 1.63 C ATOM 469 CG ARG A 30 18.636 -1.643 -5.362 1.00 2.20 C ATOM 470 CD ARG A 30 18.252 -1.058 -6.711 1.00 2.58 C ATOM 471 NE ARG A 30 19.285 -1.284 -7.720 1.00 3.27 N ATOM 472 CZ ARG A 30 19.899 -0.311 -8.385 1.00 3.80 C ATOM 473 NH1 ARG A 30 19.606 0.960 -8.132 1.00 3.96 N ATOM 474 NH2 ARG A 30 20.814 -0.607 -9.296 1.00 4.57 N ATOM 0 H ARG A 30 15.795 -0.166 -5.217 1.00 0.62 H new ATOM 0 HA ARG A 30 16.295 -3.011 -5.375 1.00 0.91 H new ATOM 0 HB2 ARG A 30 17.349 -0.449 -4.137 1.00 1.63 H new ATOM 0 HB3 ARG A 30 17.859 -1.950 -3.391 1.00 1.63 H new ATOM 0 HG2 ARG A 30 19.531 -1.142 -4.994 1.00 2.20 H new ATOM 0 HG3 ARG A 30 18.888 -2.696 -5.485 1.00 2.20 H new ATOM 0 HD2 ARG A 30 17.315 -1.503 -7.046 1.00 2.58 H new ATOM 0 HD3 ARG A 30 18.077 0.013 -6.605 1.00 2.58 H new ATOM 0 HE ARG A 30 19.551 -2.247 -7.926 1.00 3.27 H new ATOM 0 HH11 ARG A 30 18.908 1.192 -7.425 1.00 3.96 H new ATOM 0 HH12 ARG A 30 20.079 1.704 -8.644 1.00 3.96 H new ATOM 0 HH21 ARG A 30 21.047 -1.582 -9.487 1.00 4.57 H new ATOM 0 HH22 ARG A 30 21.285 0.140 -9.807 1.00 4.57 H new ATOM 488 N SER A 31 14.271 -2.338 -3.264 1.00 1.72 N ATOM 489 CA SER A 31 13.688 -2.327 -1.931 1.00 2.60 C ATOM 490 C SER A 31 14.500 -1.305 -1.143 1.00 2.41 C ATOM 491 O SER A 31 14.857 -1.489 0.018 1.00 2.90 O ATOM 492 CB SER A 31 13.731 -3.720 -1.278 1.00 3.49 C ATOM 493 OG SER A 31 12.944 -3.769 -0.100 1.00 4.00 O ATOM 0 H SER A 31 13.622 -2.123 -4.021 1.00 1.72 H new ATOM 0 HA SER A 31 12.631 -2.061 -1.958 1.00 2.60 H new ATOM 0 HB2 SER A 31 13.372 -4.466 -1.987 1.00 3.49 H new ATOM 0 HB3 SER A 31 14.762 -3.978 -1.038 1.00 3.49 H new ATOM 0 HG SER A 31 12.992 -4.667 0.288 1.00 4.00 H new ATOM 499 N ASP A 32 14.775 -0.208 -1.840 1.00 1.76 N ATOM 500 CA ASP A 32 15.761 0.764 -1.454 1.00 1.59 C ATOM 501 C ASP A 32 15.107 1.823 -0.603 1.00 1.18 C ATOM 502 O ASP A 32 13.957 1.688 -0.180 1.00 1.25 O ATOM 503 CB ASP A 32 16.362 1.393 -2.721 1.00 1.59 C ATOM 504 CG ASP A 32 17.793 1.877 -2.564 1.00 1.92 C ATOM 505 OD1 ASP A 32 18.080 2.624 -1.612 1.00 2.37 O ATOM 506 OD2 ASP A 32 18.639 1.517 -3.413 1.00 2.08 O ATOM 0 H ASP A 32 14.299 0.025 -2.711 1.00 1.76 H new ATOM 0 HA ASP A 32 16.555 0.289 -0.878 1.00 1.59 H new ATOM 0 HB2 ASP A 32 16.326 0.661 -3.528 1.00 1.59 H new ATOM 0 HB3 ASP A 32 15.738 2.234 -3.025 1.00 1.59 H new ATOM 511 N GLN A 33 15.849 2.866 -0.365 1.00 1.02 N ATOM 512 CA GLN A 33 15.418 4.005 0.412 1.00 0.76 C ATOM 513 C GLN A 33 14.284 4.792 -0.261 1.00 0.55 C ATOM 514 O GLN A 33 14.139 5.988 -0.039 1.00 0.72 O ATOM 515 CB GLN A 33 16.628 4.889 0.594 1.00 1.03 C ATOM 516 CG GLN A 33 17.618 4.346 1.611 1.00 1.73 C ATOM 517 CD GLN A 33 18.946 5.077 1.600 1.00 2.18 C ATOM 518 OE1 GLN A 33 19.982 4.500 1.925 1.00 2.42 O ATOM 519 NE2 GLN A 33 18.931 6.340 1.213 1.00 2.92 N ATOM 0 H GLN A 33 16.803 2.955 -0.715 1.00 1.02 H new ATOM 0 HA GLN A 33 15.016 3.660 1.365 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.131 5.008 -0.366 1.00 1.03 H new ATOM 0 HB3 GLN A 33 16.302 5.881 0.908 1.00 1.03 H new ATOM 0 HG2 GLN A 33 17.181 4.415 2.607 1.00 1.73 H new ATOM 0 HG3 GLN A 33 17.791 3.288 1.411 1.00 1.73 H new ATOM 0 HE21 GLN A 33 18.050 6.783 0.951 1.00 2.92 H new ATOM 0 HE22 GLN A 33 19.800 6.872 1.176 1.00 2.92 H new ATOM 528 N HIS A 34 13.493 4.125 -1.090 1.00 0.44 N ATOM 529 CA HIS A 34 12.309 4.712 -1.674 1.00 0.36 C ATOM 530 C HIS A 34 11.135 3.760 -1.474 1.00 0.32 C ATOM 531 O HIS A 34 9.982 4.180 -1.486 1.00 0.37 O ATOM 532 CB HIS A 34 12.507 4.962 -3.176 1.00 0.57 C ATOM 533 CG HIS A 34 13.856 5.504 -3.538 1.00 0.85 C ATOM 534 ND1 HIS A 34 14.853 4.720 -4.081 1.00 1.54 N ATOM 535 CD2 HIS A 34 14.373 6.750 -3.430 1.00 1.29 C ATOM 536 CE1 HIS A 34 15.925 5.461 -4.291 1.00 1.61 C ATOM 537 NE2 HIS A 34 15.660 6.694 -3.904 1.00 1.34 N ATOM 0 H HIS A 34 13.660 3.159 -1.373 1.00 0.44 H new ATOM 0 HA HIS A 34 12.113 5.667 -1.187 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.348 4.026 -3.712 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.744 5.660 -3.520 1.00 0.57 H new ATOM 0 HD1 HIS A 34 14.774 3.724 -4.288 1.00 1.54 H new ATOM 0 HD2 HIS A 34 13.868 7.623 -3.044 1.00 1.29 H new ATOM 0 HE1 HIS A 34 16.860 5.117 -4.708 1.00 1.61 H new ATOM 546 N ILE A 35 11.440 2.469 -1.294 1.00 0.38 N ATOM 547 CA ILE A 35 10.400 1.446 -1.240 1.00 0.45 C ATOM 548 C ILE A 35 9.841 1.199 0.176 1.00 0.46 C ATOM 549 O ILE A 35 8.880 0.446 0.347 1.00 0.63 O ATOM 550 CB ILE A 35 10.951 0.130 -1.855 1.00 0.63 C ATOM 551 CG1 ILE A 35 10.218 -0.179 -3.153 1.00 1.16 C ATOM 552 CG2 ILE A 35 10.876 -1.054 -0.898 1.00 1.51 C ATOM 553 CD1 ILE A 35 10.364 0.909 -4.189 1.00 2.04 C ATOM 0 H ILE A 35 12.390 2.115 -1.185 1.00 0.38 H new ATOM 0 HA ILE A 35 9.555 1.814 -1.822 1.00 0.45 H new ATOM 0 HB ILE A 35 12.010 0.289 -2.060 1.00 0.63 H new ATOM 0 HG12 ILE A 35 10.596 -1.116 -3.563 1.00 1.16 H new ATOM 0 HG13 ILE A 35 9.160 -0.329 -2.939 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.276 -1.943 -1.387 1.00 1.51 H new ATOM 0 HG22 ILE A 35 11.461 -0.837 -0.004 1.00 1.51 H new ATOM 0 HG23 ILE A 35 9.837 -1.230 -0.618 1.00 1.51 H new ATOM 0 HD11 ILE A 35 9.819 0.629 -5.090 1.00 2.04 H new ATOM 0 HD12 ILE A 35 9.960 1.842 -3.796 1.00 2.04 H new ATOM 0 HD13 ILE A 35 11.419 1.043 -4.430 1.00 2.04 H new ATOM 565 N GLN A 36 10.384 1.871 1.177 1.00 0.38 N ATOM 566 CA GLN A 36 10.177 1.427 2.553 1.00 0.37 C ATOM 567 C GLN A 36 8.979 2.079 3.238 1.00 0.35 C ATOM 568 O GLN A 36 9.093 3.153 3.833 1.00 0.35 O ATOM 569 CB GLN A 36 11.431 1.753 3.346 1.00 0.43 C ATOM 570 CG GLN A 36 11.897 3.181 3.124 1.00 0.52 C ATOM 571 CD GLN A 36 13.237 3.444 3.752 1.00 0.71 C ATOM 572 OE1 GLN A 36 13.329 3.920 4.885 1.00 1.17 O ATOM 573 NE2 GLN A 36 14.288 3.100 3.026 1.00 1.29 N ATOM 0 H GLN A 36 10.959 2.707 1.073 1.00 0.38 H new ATOM 0 HA GLN A 36 9.971 0.357 2.520 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.238 1.597 4.407 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.227 1.065 3.062 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.953 3.381 2.054 1.00 0.52 H new ATOM 0 HG3 GLN A 36 11.161 3.870 3.539 1.00 0.52 H new ATOM 0 HE21 GLN A 36 14.157 2.710 2.093 1.00 1.29 H new ATOM 0 HE22 GLN A 36 15.229 3.225 3.400 1.00 1.29 H new ATOM 582 N LEU A 37 7.866 1.368 3.253 1.00 0.36 N ATOM 583 CA LEU A 37 6.710 1.787 4.023 1.00 0.35 C ATOM 584 C LEU A 37 6.448 0.804 5.126 1.00 0.37 C ATOM 585 O LEU A 37 6.425 -0.397 4.909 1.00 0.48 O ATOM 586 CB LEU A 37 5.451 1.945 3.174 1.00 0.38 C ATOM 587 CG LEU A 37 5.338 1.051 1.931 1.00 0.45 C ATOM 588 CD1 LEU A 37 3.877 0.806 1.591 1.00 0.94 C ATOM 589 CD2 LEU A 37 6.037 1.692 0.740 1.00 0.94 C ATOM 0 H LEU A 37 7.739 0.496 2.739 1.00 0.36 H new ATOM 0 HA LEU A 37 6.946 2.769 4.434 1.00 0.35 H new ATOM 0 HB2 LEU A 37 4.586 1.754 3.810 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.387 2.984 2.852 1.00 0.38 H new ATOM 0 HG LEU A 37 5.822 0.100 2.153 1.00 0.45 H new ATOM 0 HD11 LEU A 37 3.811 0.171 0.708 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.386 0.313 2.430 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.385 1.758 1.391 1.00 0.94 H new ATOM 0 HD21 LEU A 37 5.944 1.041 -0.130 1.00 0.94 H new ATOM 0 HD22 LEU A 37 5.576 2.656 0.523 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.092 1.839 0.973 1.00 0.94 H new ATOM 601 N GLN A 38 6.202 1.308 6.301 1.00 0.34 N ATOM 602 CA GLN A 38 6.107 0.450 7.450 1.00 0.39 C ATOM 603 C GLN A 38 4.652 0.039 7.626 1.00 0.40 C ATOM 604 O GLN A 38 3.807 0.842 8.020 1.00 0.41 O ATOM 605 CB GLN A 38 6.657 1.173 8.678 1.00 0.45 C ATOM 606 CG GLN A 38 7.150 0.233 9.762 1.00 0.93 C ATOM 607 CD GLN A 38 7.713 0.968 10.960 1.00 1.37 C ATOM 608 OE1 GLN A 38 8.238 2.074 10.838 1.00 2.05 O ATOM 609 NE2 GLN A 38 7.612 0.357 12.130 1.00 2.12 N ATOM 0 H GLN A 38 6.064 2.301 6.490 1.00 0.34 H new ATOM 0 HA GLN A 38 6.704 -0.452 7.315 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.477 1.823 8.371 1.00 0.45 H new ATOM 0 HB3 GLN A 38 5.879 1.815 9.091 1.00 0.45 H new ATOM 0 HG2 GLN A 38 6.328 -0.405 10.086 1.00 0.93 H new ATOM 0 HG3 GLN A 38 7.917 -0.421 9.349 1.00 0.93 H new ATOM 0 HE21 GLN A 38 7.170 -0.560 12.190 1.00 2.12 H new ATOM 0 HE22 GLN A 38 7.977 0.803 12.972 1.00 2.12 H new ATOM 618 N LEU A 39 4.371 -1.217 7.305 1.00 0.43 N ATOM 619 CA LEU A 39 3.005 -1.707 7.247 1.00 0.46 C ATOM 620 C LEU A 39 2.732 -2.696 8.361 1.00 0.55 C ATOM 621 O LEU A 39 3.081 -3.873 8.252 1.00 0.77 O ATOM 622 CB LEU A 39 2.755 -2.390 5.904 1.00 0.61 C ATOM 623 CG LEU A 39 2.297 -1.471 4.786 1.00 1.05 C ATOM 624 CD1 LEU A 39 2.375 -2.186 3.449 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.880 -1.010 5.056 1.00 1.45 C ATOM 0 H LEU A 39 5.078 -1.917 7.080 1.00 0.43 H new ATOM 0 HA LEU A 39 2.337 -0.853 7.363 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.673 -2.887 5.591 1.00 0.61 H new ATOM 0 HB3 LEU A 39 2.004 -3.167 6.044 1.00 0.61 H new ATOM 0 HG LEU A 39 2.953 -0.602 4.748 1.00 1.05 H new ATOM 0 HD11 LEU A 39 2.043 -1.514 2.657 1.00 1.75 H new ATOM 0 HD12 LEU A 39 3.404 -2.491 3.259 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.734 -3.067 3.470 1.00 1.75 H new ATOM 0 HD21 LEU A 39 0.553 -0.350 4.252 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.219 -1.875 5.107 1.00 1.45 H new ATOM 0 HD23 LEU A 39 0.847 -0.472 6.003 1.00 1.45 H new ATOM 637 N SER A 40 2.141 -2.219 9.437 1.00 0.46 N ATOM 638 CA SER A 40 1.787 -3.083 10.540 1.00 0.56 C ATOM 639 C SER A 40 0.275 -3.227 10.658 1.00 0.42 C ATOM 640 O SER A 40 -0.481 -2.414 10.119 1.00 0.37 O ATOM 641 CB SER A 40 2.362 -2.532 11.838 1.00 0.71 C ATOM 642 OG SER A 40 3.770 -2.373 11.739 1.00 1.38 O ATOM 0 H SER A 40 1.896 -1.238 9.570 1.00 0.46 H new ATOM 0 HA SER A 40 2.209 -4.070 10.350 1.00 0.56 H new ATOM 0 HB2 SER A 40 1.899 -1.573 12.068 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.125 -3.206 12.661 1.00 0.71 H new ATOM 0 HG SER A 40 4.119 -2.016 12.582 1.00 1.38 H new ATOM 648 N ALA A 41 -0.154 -4.260 11.364 1.00 0.56 N ATOM 649 CA ALA A 41 -1.543 -4.401 11.763 1.00 0.56 C ATOM 650 C ALA A 41 -1.594 -4.324 13.274 1.00 0.64 C ATOM 651 O ALA A 41 -1.224 -5.275 13.967 1.00 0.84 O ATOM 652 CB ALA A 41 -2.119 -5.713 11.252 1.00 0.89 C ATOM 0 H ALA A 41 0.449 -5.022 11.675 1.00 0.56 H new ATOM 0 HA ALA A 41 -2.149 -3.605 11.331 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -3.160 -5.798 11.562 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -2.061 -5.736 10.164 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.548 -6.546 11.663 1.00 0.89 H new ATOM 658 N GLU A 42 -2.054 -3.191 13.781 1.00 0.92 N ATOM 659 CA GLU A 42 -1.770 -2.835 15.161 1.00 1.34 C ATOM 660 C GLU A 42 -2.981 -3.097 16.020 1.00 1.34 C ATOM 661 O GLU A 42 -2.883 -3.665 17.104 1.00 1.64 O ATOM 662 CB GLU A 42 -1.334 -1.368 15.259 1.00 1.88 C ATOM 663 CG GLU A 42 -0.800 -0.967 16.627 1.00 2.46 C ATOM 664 CD GLU A 42 0.283 -1.897 17.143 1.00 2.62 C ATOM 665 OE1 GLU A 42 1.257 -2.132 16.405 1.00 3.12 O ATOM 666 OE2 GLU A 42 0.163 -2.397 18.279 1.00 2.70 O ATOM 0 H GLU A 42 -2.616 -2.513 13.267 1.00 0.92 H new ATOM 0 HA GLU A 42 -0.949 -3.453 15.524 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -0.564 -1.178 14.511 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -2.183 -0.731 15.011 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -0.403 0.047 16.572 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -1.624 -0.949 17.340 1.00 2.46 H new ATOM 673 N SER A 43 -4.127 -2.692 15.521 1.00 1.09 N ATOM 674 CA SER A 43 -5.363 -2.979 16.193 1.00 1.14 C ATOM 675 C SER A 43 -6.047 -4.095 15.442 1.00 1.00 C ATOM 676 O SER A 43 -5.646 -4.413 14.319 1.00 1.09 O ATOM 677 CB SER A 43 -6.241 -1.734 16.252 1.00 1.24 C ATOM 678 OG SER A 43 -5.514 -0.631 16.764 1.00 1.59 O ATOM 0 H SER A 43 -4.224 -2.164 14.654 1.00 1.09 H new ATOM 0 HA SER A 43 -5.176 -3.286 17.222 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.614 -1.499 15.255 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.111 -1.926 16.881 1.00 1.24 H new ATOM 0 HG SER A 43 -6.094 0.158 16.792 1.00 1.59 H new ATOM 684 N VAL A 44 -7.053 -4.701 16.039 1.00 0.92 N ATOM 685 CA VAL A 44 -7.719 -5.812 15.388 1.00 0.91 C ATOM 686 C VAL A 44 -8.338 -5.344 14.075 1.00 0.77 C ATOM 687 O VAL A 44 -9.210 -4.482 14.059 1.00 0.79 O ATOM 688 CB VAL A 44 -8.804 -6.434 16.290 1.00 1.07 C ATOM 689 CG1 VAL A 44 -9.500 -7.588 15.584 1.00 1.85 C ATOM 690 CG2 VAL A 44 -8.200 -6.898 17.607 1.00 1.83 C ATOM 0 H VAL A 44 -7.422 -4.450 16.956 1.00 0.92 H new ATOM 0 HA VAL A 44 -6.973 -6.581 15.189 1.00 0.91 H new ATOM 0 HB VAL A 44 -9.550 -5.668 16.503 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -10.261 -8.010 16.240 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -9.970 -7.225 14.670 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -8.768 -8.357 15.335 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -8.980 -7.334 18.231 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -7.431 -7.645 17.411 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -7.756 -6.047 18.123 1.00 1.83 H new ATOM 700 N GLY A 45 -7.833 -5.884 12.975 1.00 0.73 N ATOM 701 CA GLY A 45 -8.390 -5.590 11.673 1.00 0.67 C ATOM 702 C GLY A 45 -7.769 -4.361 11.041 1.00 0.54 C ATOM 703 O GLY A 45 -7.864 -4.168 9.836 1.00 0.56 O ATOM 0 H GLY A 45 -7.040 -6.526 12.963 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.242 -6.447 11.016 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.466 -5.442 11.766 1.00 0.67 H new ATOM 707 N GLU A 46 -7.122 -3.532 11.847 1.00 0.56 N ATOM 708 CA GLU A 46 -6.567 -2.281 11.352 1.00 0.50 C ATOM 709 C GLU A 46 -5.146 -2.446 10.851 1.00 0.40 C ATOM 710 O GLU A 46 -4.291 -3.007 11.536 1.00 0.48 O ATOM 711 CB GLU A 46 -6.551 -1.229 12.458 1.00 0.75 C ATOM 712 CG GLU A 46 -7.761 -1.278 13.353 1.00 1.02 C ATOM 713 CD GLU A 46 -8.999 -0.680 12.713 1.00 1.35 C ATOM 714 OE1 GLU A 46 -9.518 -1.274 11.741 1.00 1.80 O ATOM 715 OE2 GLU A 46 -9.480 0.368 13.180 1.00 1.67 O ATOM 0 H GLU A 46 -6.969 -3.701 12.841 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.205 -1.967 10.526 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -5.655 -1.364 13.064 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -6.483 -0.239 12.006 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.964 -2.314 13.624 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -7.543 -0.744 14.278 1.00 1.02 H new ATOM 722 N VAL A 47 -4.899 -1.921 9.671 1.00 0.33 N ATOM 723 CA VAL A 47 -3.551 -1.810 9.150 1.00 0.33 C ATOM 724 C VAL A 47 -3.143 -0.355 9.058 1.00 0.33 C ATOM 725 O VAL A 47 -3.952 0.515 8.724 1.00 0.36 O ATOM 726 CB VAL A 47 -3.354 -2.471 7.781 1.00 0.40 C ATOM 727 CG1 VAL A 47 -3.371 -3.980 7.913 1.00 0.46 C ATOM 728 CG2 VAL A 47 -4.406 -1.998 6.791 1.00 0.48 C ATOM 0 H VAL A 47 -5.621 -1.560 9.047 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.919 -2.349 9.856 1.00 0.33 H new ATOM 0 HB VAL A 47 -2.379 -2.174 7.395 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -3.230 -4.433 6.932 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.567 -4.296 8.578 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -4.329 -4.298 8.325 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -4.243 -2.482 5.828 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -5.398 -2.255 7.163 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -4.332 -0.917 6.671 1.00 0.48 H new ATOM 738 N TYR A 48 -1.895 -0.097 9.377 1.00 0.34 N ATOM 739 CA TYR A 48 -1.394 1.259 9.442 1.00 0.36 C ATOM 740 C TYR A 48 -0.252 1.424 8.454 1.00 0.38 C ATOM 741 O TYR A 48 0.722 0.669 8.483 1.00 0.39 O ATOM 742 CB TYR A 48 -0.935 1.570 10.870 1.00 0.41 C ATOM 743 CG TYR A 48 -0.427 2.980 11.073 1.00 0.55 C ATOM 744 CD1 TYR A 48 -1.214 4.070 10.731 1.00 0.91 C ATOM 745 CD2 TYR A 48 0.836 3.219 11.597 1.00 1.47 C ATOM 746 CE1 TYR A 48 -0.756 5.361 10.907 1.00 1.00 C ATOM 747 CE2 TYR A 48 1.301 4.508 11.778 1.00 1.79 C ATOM 748 CZ TYR A 48 0.512 5.567 11.459 1.00 1.23 C ATOM 749 OH TYR A 48 0.956 6.861 11.604 1.00 1.60 O ATOM 0 H TYR A 48 -1.203 -0.813 9.597 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.185 1.960 9.176 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.768 1.396 11.552 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -0.146 0.870 11.145 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -2.200 3.907 10.321 1.00 0.91 H new ATOM 0 HD2 TYR A 48 1.466 2.384 11.868 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -1.370 6.202 10.621 1.00 1.00 H new ATOM 0 HE2 TYR A 48 2.292 4.673 12.173 1.00 1.79 H new ATOM 0 HH TYR A 48 1.852 6.857 12.001 1.00 1.60 H new ATOM 759 N ILE A 49 -0.389 2.404 7.580 1.00 0.42 N ATOM 760 CA ILE A 49 0.578 2.626 6.523 1.00 0.44 C ATOM 761 C ILE A 49 1.378 3.875 6.822 1.00 0.42 C ATOM 762 O ILE A 49 0.897 4.996 6.654 1.00 0.52 O ATOM 763 CB ILE A 49 -0.106 2.762 5.149 1.00 0.52 C ATOM 764 CG1 ILE A 49 -1.080 1.596 4.937 1.00 0.62 C ATOM 765 CG2 ILE A 49 0.943 2.808 4.045 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.681 1.528 3.551 1.00 1.20 C ATOM 0 H ILE A 49 -1.167 3.063 7.583 1.00 0.42 H new ATOM 0 HA ILE A 49 1.240 1.761 6.483 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.672 3.693 5.116 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.558 0.661 5.140 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.886 1.675 5.666 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.449 2.904 3.078 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.601 3.663 4.203 1.00 0.58 H new ATOM 0 HG23 ILE A 49 1.530 1.890 4.063 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -2.357 0.675 3.489 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -2.235 2.445 3.349 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -0.885 1.415 2.815 1.00 1.20 H new ATOM 778 N LYS A 50 2.589 3.677 7.296 1.00 0.36 N ATOM 779 CA LYS A 50 3.416 4.785 7.732 1.00 0.37 C ATOM 780 C LYS A 50 4.725 4.827 6.977 1.00 0.35 C ATOM 781 O LYS A 50 5.206 3.812 6.480 1.00 0.36 O ATOM 782 CB LYS A 50 3.677 4.731 9.242 1.00 0.44 C ATOM 783 CG LYS A 50 4.405 3.484 9.710 1.00 0.93 C ATOM 784 CD LYS A 50 4.744 3.546 11.196 1.00 0.88 C ATOM 785 CE LYS A 50 6.062 4.271 11.467 1.00 1.35 C ATOM 786 NZ LYS A 50 6.037 5.709 11.078 1.00 1.86 N ATOM 0 H LYS A 50 3.024 2.759 7.390 1.00 0.36 H new ATOM 0 HA LYS A 50 2.864 5.699 7.513 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.260 5.606 9.529 1.00 0.44 H new ATOM 0 HB3 LYS A 50 2.723 4.798 9.766 1.00 0.44 H new ATOM 0 HG2 LYS A 50 3.786 2.608 9.515 1.00 0.93 H new ATOM 0 HG3 LYS A 50 5.322 3.361 9.133 1.00 0.93 H new ATOM 0 HD2 LYS A 50 3.939 4.052 11.728 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.802 2.533 11.595 1.00 0.88 H new ATOM 0 HE2 LYS A 50 6.299 4.193 12.528 1.00 1.35 H new ATOM 0 HE3 LYS A 50 6.863 3.769 10.924 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 6.762 6.226 11.614 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 6.231 5.797 10.060 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 5.100 6.109 11.288 1.00 1.86 H new ATOM 800 N SER A 51 5.299 6.007 6.900 1.00 0.40 N ATOM 801 CA SER A 51 6.589 6.172 6.301 1.00 0.39 C ATOM 802 C SER A 51 7.641 5.760 7.291 1.00 0.39 C ATOM 803 O SER A 51 7.553 6.060 8.482 1.00 0.48 O ATOM 804 CB SER A 51 6.824 7.654 5.982 1.00 0.48 C ATOM 805 OG SER A 51 5.783 8.199 5.205 1.00 1.10 O ATOM 0 H SER A 51 4.882 6.869 7.251 1.00 0.40 H new ATOM 0 HA SER A 51 6.639 5.570 5.394 1.00 0.39 H new ATOM 0 HB2 SER A 51 6.914 8.215 6.912 1.00 0.48 H new ATOM 0 HB3 SER A 51 7.769 7.765 5.450 1.00 0.48 H new ATOM 0 HG SER A 51 5.920 9.164 5.105 1.00 1.10 H new ATOM 811 N THR A 52 8.613 5.031 6.788 1.00 0.35 N ATOM 812 CA THR A 52 9.841 4.870 7.494 1.00 0.41 C ATOM 813 C THR A 52 10.608 6.155 7.249 1.00 0.45 C ATOM 814 O THR A 52 10.318 7.172 7.878 1.00 0.53 O ATOM 815 CB THR A 52 10.611 3.635 6.995 1.00 0.43 C ATOM 816 OG1 THR A 52 9.714 2.521 6.917 1.00 0.62 O ATOM 817 CG2 THR A 52 11.756 3.291 7.927 1.00 0.77 C ATOM 0 H THR A 52 8.566 4.545 5.892 1.00 0.35 H new ATOM 0 HA THR A 52 9.684 4.699 8.559 1.00 0.41 H new ATOM 0 HB THR A 52 11.024 3.860 6.012 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.329 2.474 6.017 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.282 2.414 7.549 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.446 4.133 7.981 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.364 3.078 8.922 1.00 0.77 H new ATOM 825 N GLU A 53 11.556 6.151 6.350 1.00 0.46 N ATOM 826 CA GLU A 53 12.110 7.427 5.922 1.00 0.53 C ATOM 827 C GLU A 53 11.327 7.975 4.728 1.00 0.44 C ATOM 828 O GLU A 53 10.928 9.139 4.705 1.00 0.47 O ATOM 829 CB GLU A 53 13.591 7.290 5.556 1.00 0.68 C ATOM 830 CG GLU A 53 14.546 7.659 6.681 1.00 1.43 C ATOM 831 CD GLU A 53 14.392 6.787 7.909 1.00 1.83 C ATOM 832 OE1 GLU A 53 15.072 5.741 7.987 1.00 2.55 O ATOM 833 OE2 GLU A 53 13.603 7.148 8.807 1.00 2.11 O ATOM 0 H GLU A 53 11.954 5.321 5.910 1.00 0.46 H new ATOM 0 HA GLU A 53 12.025 8.125 6.755 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.785 6.262 5.252 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.801 7.923 4.694 1.00 0.68 H new ATOM 0 HG2 GLU A 53 15.571 7.584 6.317 1.00 1.43 H new ATOM 0 HG3 GLU A 53 14.382 8.700 6.960 1.00 1.43 H new ATOM 840 N THR A 54 11.100 7.107 3.755 1.00 0.36 N ATOM 841 CA THR A 54 10.414 7.454 2.514 1.00 0.30 C ATOM 842 C THR A 54 9.058 6.771 2.327 1.00 0.31 C ATOM 843 O THR A 54 8.622 6.616 1.197 1.00 0.38 O ATOM 844 CB THR A 54 11.308 7.144 1.309 1.00 0.40 C ATOM 845 OG1 THR A 54 12.051 5.948 1.561 1.00 1.13 O ATOM 846 CG2 THR A 54 12.260 8.297 1.030 1.00 0.93 C ATOM 0 H THR A 54 11.389 6.130 3.802 1.00 0.36 H new ATOM 0 HA THR A 54 10.213 8.523 2.585 1.00 0.30 H new ATOM 0 HB THR A 54 10.676 7.004 0.432 1.00 0.40 H new ATOM 0 HG1 THR A 54 12.986 6.082 1.299 1.00 1.13 H new ATOM 0 HG21 THR A 54 12.884 8.054 0.170 1.00 0.93 H new ATOM 0 HG22 THR A 54 11.686 9.199 0.818 1.00 0.93 H new ATOM 0 HG23 THR A 54 12.893 8.466 1.902 1.00 0.93 H new ATOM 854 N GLY A 55 8.387 6.330 3.377 1.00 0.33 N ATOM 855 CA GLY A 55 7.487 5.214 3.158 1.00 0.40 C ATOM 856 C GLY A 55 6.061 5.514 2.745 1.00 0.46 C ATOM 857 O GLY A 55 5.459 4.622 2.178 1.00 0.56 O ATOM 0 H GLY A 55 8.439 6.697 4.327 1.00 0.33 H new ATOM 0 HA2 GLY A 55 7.928 4.576 2.392 1.00 0.40 H new ATOM 0 HA3 GLY A 55 7.451 4.630 4.078 1.00 0.40 H new ATOM 861 N GLN A 56 5.527 6.719 2.993 1.00 0.43 N ATOM 862 CA GLN A 56 4.314 7.218 2.275 1.00 0.54 C ATOM 863 C GLN A 56 3.499 8.242 3.048 1.00 0.56 C ATOM 864 O GLN A 56 3.243 8.082 4.235 1.00 0.63 O ATOM 865 CB GLN A 56 3.325 6.113 1.905 1.00 0.81 C ATOM 866 CG GLN A 56 3.376 5.725 0.443 1.00 0.91 C ATOM 867 CD GLN A 56 2.079 5.127 -0.021 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.893 3.913 -0.038 1.00 2.18 O ATOM 869 NE2 GLN A 56 1.152 6.000 -0.353 1.00 1.06 N ATOM 0 H GLN A 56 5.904 7.373 3.679 1.00 0.43 H new ATOM 0 HA GLN A 56 4.756 7.673 1.388 1.00 0.54 H new ATOM 0 HB2 GLN A 56 3.531 5.233 2.514 1.00 0.81 H new ATOM 0 HB3 GLN A 56 2.315 6.442 2.151 1.00 0.81 H new ATOM 0 HG2 GLN A 56 3.607 6.604 -0.159 1.00 0.91 H new ATOM 0 HG3 GLN A 56 4.183 5.010 0.285 1.00 0.91 H new ATOM 0 HE21 GLN A 56 1.357 6.999 -0.322 1.00 1.06 H new ATOM 0 HE22 GLN A 56 0.228 5.678 -0.641 1.00 1.06 H new ATOM 878 N TYR A 57 2.992 9.240 2.326 1.00 0.57 N ATOM 879 CA TYR A 57 1.907 10.056 2.849 1.00 0.62 C ATOM 880 C TYR A 57 0.650 9.517 2.259 1.00 0.59 C ATOM 881 O TYR A 57 0.072 10.111 1.349 1.00 0.67 O ATOM 882 CB TYR A 57 2.021 11.571 2.559 1.00 0.76 C ATOM 883 CG TYR A 57 0.916 12.406 3.192 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.942 12.718 4.543 1.00 2.17 C ATOM 885 CD2 TYR A 57 -0.155 12.875 2.438 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.060 13.467 5.127 1.00 3.20 C ATOM 887 CE2 TYR A 57 -1.161 13.628 3.014 1.00 3.64 C ATOM 888 CZ TYR A 57 -1.109 13.919 4.359 1.00 3.91 C ATOM 889 OH TYR A 57 -2.113 14.658 4.942 1.00 4.98 O ATOM 0 H TYR A 57 3.311 9.497 1.392 1.00 0.57 H new ATOM 0 HA TYR A 57 1.935 9.991 3.937 1.00 0.62 H new ATOM 0 HB2 TYR A 57 2.985 11.928 2.920 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.007 11.726 1.480 1.00 0.76 H new ATOM 0 HD1 TYR A 57 1.763 12.368 5.151 1.00 2.17 H new ATOM 0 HD2 TYR A 57 -0.201 12.647 1.383 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -0.021 13.697 6.181 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -1.983 13.986 2.412 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.975 14.220 4.784 1.00 4.98 H new ATOM 899 N LEU A 58 0.237 8.368 2.742 1.00 0.55 N ATOM 900 CA LEU A 58 -0.900 7.745 2.153 1.00 0.58 C ATOM 901 C LEU A 58 -2.142 8.439 2.626 1.00 0.56 C ATOM 902 O LEU A 58 -2.550 8.361 3.780 1.00 0.72 O ATOM 903 CB LEU A 58 -0.950 6.253 2.425 1.00 0.70 C ATOM 904 CG LEU A 58 -1.467 5.470 1.230 1.00 1.32 C ATOM 905 CD1 LEU A 58 -1.132 3.997 1.352 1.00 1.59 C ATOM 906 CD2 LEU A 58 -2.967 5.657 1.055 1.00 1.85 C ATOM 0 H LEU A 58 0.665 7.866 3.520 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.825 7.844 1.070 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.047 5.899 2.685 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.590 6.063 3.286 1.00 0.70 H new ATOM 0 HG LEU A 58 -0.967 5.863 0.345 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -1.515 3.463 0.482 1.00 1.59 H new ATOM 0 HD12 LEU A 58 -0.050 3.873 1.406 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -1.589 3.593 2.255 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -3.307 5.084 0.192 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -3.484 5.308 1.949 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -3.186 6.713 0.899 1.00 1.85 H new ATOM 918 N ALA A 59 -2.683 9.179 1.704 1.00 0.47 N ATOM 919 CA ALA A 59 -3.821 10.005 1.944 1.00 0.46 C ATOM 920 C ALA A 59 -4.970 9.542 1.070 1.00 0.46 C ATOM 921 O ALA A 59 -4.865 9.583 -0.157 1.00 0.51 O ATOM 922 CB ALA A 59 -3.431 11.443 1.633 1.00 0.54 C ATOM 0 H ALA A 59 -2.336 9.224 0.746 1.00 0.47 H new ATOM 0 HA ALA A 59 -4.145 9.939 2.983 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.285 12.098 1.808 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.605 11.743 2.278 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -3.124 11.519 0.590 1.00 0.54 H new ATOM 928 N MET A 60 -6.047 9.061 1.671 1.00 0.48 N ATOM 929 CA MET A 60 -7.206 8.707 0.875 1.00 0.52 C ATOM 930 C MET A 60 -8.027 9.969 0.603 1.00 0.55 C ATOM 931 O MET A 60 -8.435 10.686 1.514 1.00 0.74 O ATOM 932 CB MET A 60 -8.040 7.607 1.571 1.00 0.66 C ATOM 933 CG MET A 60 -9.193 8.095 2.445 1.00 1.76 C ATOM 934 SD MET A 60 -8.643 8.997 3.906 1.00 2.80 S ATOM 935 CE MET A 60 -10.207 9.440 4.647 1.00 3.74 C ATOM 0 H MET A 60 -6.141 8.911 2.675 1.00 0.48 H new ATOM 0 HA MET A 60 -6.884 8.291 -0.080 1.00 0.52 H new ATOM 0 HB2 MET A 60 -8.445 6.946 0.805 1.00 0.66 H new ATOM 0 HB3 MET A 60 -7.371 7.007 2.188 1.00 0.66 H new ATOM 0 HG2 MET A 60 -9.843 8.738 1.852 1.00 1.76 H new ATOM 0 HG3 MET A 60 -9.791 7.239 2.758 1.00 1.76 H new ATOM 0 HE1 MET A 60 -10.104 10.387 5.176 1.00 3.74 H new ATOM 0 HE2 MET A 60 -10.963 9.540 3.868 1.00 3.74 H new ATOM 0 HE3 MET A 60 -10.510 8.663 5.349 1.00 3.74 H new ATOM 945 N ASP A 61 -8.212 10.277 -0.669 1.00 0.51 N ATOM 946 CA ASP A 61 -8.936 11.478 -1.045 1.00 0.56 C ATOM 947 C ASP A 61 -10.349 11.100 -1.403 1.00 0.56 C ATOM 948 O ASP A 61 -10.622 10.669 -2.527 1.00 0.64 O ATOM 949 CB ASP A 61 -8.277 12.178 -2.221 1.00 0.71 C ATOM 950 CG ASP A 61 -8.830 13.572 -2.446 1.00 1.02 C ATOM 951 OD1 ASP A 61 -8.593 14.457 -1.599 1.00 1.58 O ATOM 952 OD2 ASP A 61 -9.519 13.784 -3.460 1.00 1.34 O ATOM 0 H ASP A 61 -7.874 9.718 -1.452 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.929 12.169 -0.202 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.203 12.240 -2.048 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -8.421 11.583 -3.123 1.00 0.71 H new ATOM 957 N THR A 62 -11.214 11.203 -0.406 1.00 0.65 N ATOM 958 CA THR A 62 -12.592 10.775 -0.471 1.00 0.83 C ATOM 959 C THR A 62 -12.716 9.322 -0.923 1.00 0.87 C ATOM 960 O THR A 62 -13.800 8.866 -1.297 1.00 1.31 O ATOM 961 CB THR A 62 -13.448 11.711 -1.335 1.00 0.97 C ATOM 962 OG1 THR A 62 -13.032 11.706 -2.710 1.00 1.47 O ATOM 963 CG2 THR A 62 -13.391 13.127 -0.788 1.00 1.55 C ATOM 0 H THR A 62 -10.962 11.601 0.499 1.00 0.65 H new ATOM 0 HA THR A 62 -12.985 10.832 0.544 1.00 0.83 H new ATOM 0 HB THR A 62 -14.473 11.342 -1.296 1.00 0.97 H new ATOM 0 HG1 THR A 62 -12.353 11.012 -2.844 1.00 1.47 H new ATOM 0 HG21 THR A 62 -14.002 13.782 -1.409 1.00 1.55 H new ATOM 0 HG22 THR A 62 -13.771 13.138 0.234 1.00 1.55 H new ATOM 0 HG23 THR A 62 -12.359 13.479 -0.795 1.00 1.55 H new ATOM 971 N ASP A 63 -11.575 8.618 -0.902 1.00 0.78 N ATOM 972 CA ASP A 63 -11.515 7.172 -1.071 1.00 0.88 C ATOM 973 C ASP A 63 -11.642 6.818 -2.538 1.00 0.87 C ATOM 974 O ASP A 63 -11.678 5.653 -2.918 1.00 0.96 O ATOM 975 CB ASP A 63 -12.607 6.499 -0.248 1.00 1.05 C ATOM 976 CG ASP A 63 -12.114 5.308 0.529 1.00 1.19 C ATOM 977 OD1 ASP A 63 -11.001 5.381 1.082 1.00 1.54 O ATOM 978 OD2 ASP A 63 -12.871 4.323 0.638 1.00 1.42 O ATOM 0 H ASP A 63 -10.661 9.049 -0.765 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.552 6.809 -0.713 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -13.032 7.226 0.444 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.412 6.184 -0.912 1.00 1.05 H new ATOM 983 N GLY A 64 -11.648 7.849 -3.362 1.00 0.82 N ATOM 984 CA GLY A 64 -11.813 7.660 -4.777 1.00 0.89 C ATOM 985 C GLY A 64 -10.473 7.526 -5.434 1.00 0.90 C ATOM 986 O GLY A 64 -10.323 6.807 -6.417 1.00 1.17 O ATOM 0 H GLY A 64 -11.540 8.820 -3.070 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -12.411 6.769 -4.966 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -12.354 8.504 -5.205 1.00 0.89 H new ATOM 990 N LEU A 65 -9.494 8.226 -4.884 1.00 0.72 N ATOM 991 CA LEU A 65 -8.101 7.975 -5.208 1.00 0.71 C ATOM 992 C LEU A 65 -7.300 7.982 -3.925 1.00 0.67 C ATOM 993 O LEU A 65 -7.800 8.367 -2.865 1.00 0.79 O ATOM 994 CB LEU A 65 -7.452 8.989 -6.145 1.00 0.74 C ATOM 995 CG LEU A 65 -8.356 9.780 -7.110 1.00 1.41 C ATOM 996 CD1 LEU A 65 -7.534 10.808 -7.868 1.00 2.03 C ATOM 997 CD2 LEU A 65 -9.071 8.882 -8.097 1.00 2.04 C ATOM 0 H LEU A 65 -9.641 8.976 -4.208 1.00 0.72 H new ATOM 0 HA LEU A 65 -8.096 7.017 -5.728 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -6.911 9.709 -5.531 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -6.710 8.460 -6.744 1.00 0.74 H new ATOM 0 HG LEU A 65 -9.114 10.277 -6.504 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -8.181 11.362 -8.548 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -7.074 11.499 -7.161 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -6.756 10.302 -8.440 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -9.695 9.488 -8.754 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -8.337 8.339 -8.692 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -9.696 8.172 -7.556 1.00 2.04 H new ATOM 1009 N LEU A 66 -6.057 7.572 -4.037 1.00 0.65 N ATOM 1010 CA LEU A 66 -5.201 7.399 -2.893 1.00 0.68 C ATOM 1011 C LEU A 66 -3.800 7.939 -3.193 1.00 0.63 C ATOM 1012 O LEU A 66 -3.248 7.713 -4.274 1.00 0.73 O ATOM 1013 CB LEU A 66 -5.177 5.914 -2.486 1.00 0.90 C ATOM 1014 CG LEU A 66 -5.348 4.899 -3.636 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -4.844 3.534 -3.209 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -6.814 4.780 -4.081 1.00 1.56 C ATOM 0 H LEU A 66 -5.613 7.349 -4.928 1.00 0.65 H new ATOM 0 HA LEU A 66 -5.591 7.969 -2.050 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -4.231 5.710 -1.984 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -5.968 5.744 -1.756 1.00 0.90 H new ATOM 0 HG LEU A 66 -4.763 5.265 -4.480 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -4.970 2.827 -4.029 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -3.788 3.602 -2.947 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -5.411 3.191 -2.344 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -6.890 4.056 -4.892 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -7.424 4.449 -3.240 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -7.169 5.751 -4.427 1.00 1.56 H new ATOM 1028 N TYR A 67 -3.234 8.637 -2.222 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.975 9.360 -2.399 1.00 0.63 C ATOM 1030 C TYR A 67 -0.866 8.705 -1.617 1.00 0.70 C ATOM 1031 O TYR A 67 -1.117 7.826 -0.801 1.00 0.98 O ATOM 1032 CB TYR A 67 -2.096 10.777 -1.840 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.757 11.782 -2.735 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -4.132 11.909 -2.738 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -2.017 12.570 -3.600 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.761 12.795 -3.577 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.635 13.468 -4.442 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.940 13.701 -4.342 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.637 14.462 -5.274 1.00 1.64 O ATOM 0 H TYR A 67 -3.631 8.721 -1.286 1.00 0.62 H new ATOM 0 HA TYR A 67 -1.758 9.362 -3.467 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -2.653 10.731 -0.904 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -1.096 11.137 -1.598 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.723 11.301 -2.069 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.941 12.479 -3.615 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.838 12.813 -3.662 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -2.054 13.987 -5.190 1.00 1.16 H new ATOM 0 HH TYR A 67 -4.013 15.049 -5.749 1.00 1.64 H new ATOM 1049 N GLY A 68 0.369 9.077 -1.909 1.00 0.66 N ATOM 1050 CA GLY A 68 1.408 8.866 -0.939 1.00 0.80 C ATOM 1051 C GLY A 68 2.677 9.606 -1.215 1.00 0.81 C ATOM 1052 O GLY A 68 3.231 9.482 -2.297 1.00 0.85 O ATOM 0 H GLY A 68 0.663 9.512 -2.783 1.00 0.66 H new ATOM 0 HA2 GLY A 68 1.036 9.162 0.042 1.00 0.80 H new ATOM 0 HA3 GLY A 68 1.628 7.800 -0.888 1.00 0.80 H new ATOM 1056 N SER A 69 3.152 10.392 -0.256 1.00 0.91 N ATOM 1057 CA SER A 69 4.590 10.686 -0.265 1.00 1.08 C ATOM 1058 C SER A 69 5.291 10.917 1.093 1.00 1.38 C ATOM 1059 O SER A 69 6.191 10.161 1.450 1.00 1.62 O ATOM 1060 CB SER A 69 4.835 11.898 -1.169 1.00 1.08 C ATOM 1061 OG SER A 69 6.215 12.188 -1.287 1.00 1.39 O ATOM 0 H SER A 69 2.608 10.817 0.495 1.00 0.91 H new ATOM 0 HA SER A 69 5.045 9.766 -0.631 1.00 1.08 H new ATOM 0 HB2 SER A 69 4.417 11.706 -2.157 1.00 1.08 H new ATOM 0 HB3 SER A 69 4.313 12.766 -0.765 1.00 1.08 H new ATOM 0 HG SER A 69 6.480 12.142 -2.229 1.00 1.39 H new ATOM 1067 N GLN A 70 4.875 11.910 1.859 1.00 1.49 N ATOM 1068 CA GLN A 70 5.724 12.364 2.979 1.00 1.85 C ATOM 1069 C GLN A 70 5.474 11.697 4.348 1.00 1.93 C ATOM 1070 O GLN A 70 6.404 11.232 5.008 1.00 2.19 O ATOM 1071 CB GLN A 70 5.583 13.883 3.121 1.00 2.07 C ATOM 1072 CG GLN A 70 6.579 14.515 4.084 1.00 2.63 C ATOM 1073 CD GLN A 70 8.017 14.355 3.630 1.00 3.22 C ATOM 1074 OE1 GLN A 70 8.543 15.189 2.893 1.00 3.66 O ATOM 1075 NE2 GLN A 70 8.667 13.287 4.069 1.00 3.79 N ATOM 0 H GLN A 70 3.993 12.409 1.746 1.00 1.49 H new ATOM 0 HA GLN A 70 6.734 12.057 2.709 1.00 1.85 H new ATOM 0 HB2 GLN A 70 5.703 14.341 2.139 1.00 2.07 H new ATOM 0 HB3 GLN A 70 4.572 14.113 3.459 1.00 2.07 H new ATOM 0 HG2 GLN A 70 6.352 15.576 4.190 1.00 2.63 H new ATOM 0 HG3 GLN A 70 6.461 14.064 5.069 1.00 2.63 H new ATOM 0 HE21 GLN A 70 8.196 12.618 4.679 1.00 3.79 H new ATOM 0 HE22 GLN A 70 9.638 13.134 3.797 1.00 3.79 H new ATOM 1084 N THR A 71 4.215 11.631 4.737 1.00 1.75 N ATOM 1085 CA THR A 71 3.847 11.475 6.165 1.00 1.78 C ATOM 1086 C THR A 71 2.755 10.415 6.371 1.00 1.56 C ATOM 1087 O THR A 71 2.018 10.127 5.457 1.00 1.63 O ATOM 1088 CB THR A 71 3.358 12.849 6.700 1.00 1.94 C ATOM 1089 OG1 THR A 71 4.238 13.880 6.238 1.00 2.26 O ATOM 1090 CG2 THR A 71 3.303 12.901 8.222 1.00 2.31 C ATOM 0 H THR A 71 3.420 11.681 4.101 1.00 1.75 H new ATOM 0 HA THR A 71 4.726 11.136 6.713 1.00 1.78 H new ATOM 0 HB THR A 71 2.346 12.997 6.324 1.00 1.94 H new ATOM 0 HG1 THR A 71 3.930 14.748 6.573 1.00 2.26 H new ATOM 0 HG21 THR A 71 2.955 13.884 8.540 1.00 2.31 H new ATOM 0 HG22 THR A 71 2.617 12.137 8.588 1.00 2.31 H new ATOM 0 HG23 THR A 71 4.298 12.719 8.628 1.00 2.31 H new ATOM 1098 N PRO A 72 2.553 9.859 7.572 1.00 1.41 N ATOM 1099 CA PRO A 72 1.392 9.028 7.797 1.00 1.20 C ATOM 1100 C PRO A 72 0.385 9.685 8.745 1.00 1.04 C ATOM 1101 O PRO A 72 0.569 9.743 9.964 1.00 1.06 O ATOM 1102 CB PRO A 72 2.027 7.822 8.475 1.00 1.31 C ATOM 1103 CG PRO A 72 3.227 8.368 9.215 1.00 1.49 C ATOM 1104 CD PRO A 72 3.475 9.775 8.703 1.00 1.53 C ATOM 0 HA PRO A 72 0.829 8.816 6.888 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.328 7.342 9.159 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.324 7.070 7.744 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.044 8.377 10.289 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.101 7.739 9.046 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.259 10.528 9.461 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.511 9.920 8.396 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.683 10.197 8.145 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.756 10.861 8.870 1.00 0.86 C ATOM 1114 C ASN A 73 -2.759 9.782 9.121 1.00 0.68 C ATOM 1115 O ASN A 73 -2.502 8.640 8.729 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.335 12.007 8.024 1.00 0.98 C ATOM 1117 CG ASN A 73 -3.229 12.949 8.815 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -2.744 13.840 9.508 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -4.537 12.790 8.683 1.00 2.17 N ATOM 0 H ASN A 73 -0.828 10.162 7.136 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.427 11.320 9.803 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -1.515 12.577 7.588 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -2.906 11.585 7.197 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -5.179 13.419 9.166 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -4.903 12.038 8.099 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.916 10.042 9.683 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.864 9.040 9.401 1.00 0.47 C ATOM 1128 C GLU A 74 -5.727 9.609 8.326 1.00 0.52 C ATOM 1129 O GLU A 74 -6.650 10.395 8.514 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.691 8.694 10.639 1.00 0.49 C ATOM 1131 CG GLU A 74 -4.852 8.261 11.828 1.00 1.15 C ATOM 1132 CD GLU A 74 -5.693 7.976 13.050 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -6.184 6.840 13.190 1.00 2.11 O ATOM 1134 OE2 GLU A 74 -5.878 8.893 13.879 1.00 1.84 O ATOM 0 H GLU A 74 -4.187 10.836 10.263 1.00 0.59 H new ATOM 0 HA GLU A 74 -4.386 8.111 9.091 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -6.287 9.562 10.922 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -6.390 7.896 10.388 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -4.285 7.368 11.564 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -4.128 9.041 12.062 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.335 9.137 7.185 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.058 9.066 5.963 1.00 0.52 C ATOM 1143 C GLU A 75 -5.762 7.691 5.406 1.00 0.40 C ATOM 1144 O GLU A 75 -6.540 7.109 4.659 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.572 10.141 4.998 1.00 0.69 C ATOM 1146 CG GLU A 75 -5.832 11.557 5.485 1.00 0.89 C ATOM 1147 CD GLU A 75 -5.351 12.612 4.512 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -5.880 12.666 3.380 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -4.430 13.376 4.860 1.00 2.16 O ATOM 0 H GLU A 75 -4.397 8.751 7.081 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.126 9.226 6.111 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.502 10.013 4.833 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -6.062 10.001 4.034 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -6.901 11.687 5.655 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -5.337 11.702 6.445 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.555 7.202 5.753 1.00 0.37 N ATOM 1157 CA CYS A 76 -4.083 5.931 5.244 1.00 0.47 C ATOM 1158 C CYS A 76 -4.625 4.752 6.048 1.00 0.40 C ATOM 1159 O CYS A 76 -4.193 3.619 5.858 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.557 5.891 5.278 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.848 6.174 6.917 1.00 1.40 S ATOM 0 H CYS A 76 -3.905 7.676 6.380 1.00 0.37 H new ATOM 0 HA CYS A 76 -4.445 5.841 4.220 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -2.221 4.921 4.911 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -2.169 6.643 4.591 1.00 0.68 H new ATOM 0 HG CYS A 76 -0.597 5.820 6.916 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.559 5.010 6.949 1.00 0.37 N ATOM 1168 CA LEU A 77 -6.048 3.967 7.827 1.00 0.46 C ATOM 1169 C LEU A 77 -6.996 3.058 7.081 1.00 0.39 C ATOM 1170 O LEU A 77 -8.042 3.485 6.560 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.725 4.560 9.063 1.00 0.66 C ATOM 1172 CG LEU A 77 -5.858 4.581 10.328 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -5.598 3.165 10.822 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -4.540 5.291 10.061 1.00 1.59 C ATOM 0 H LEU A 77 -5.989 5.925 7.089 1.00 0.37 H new ATOM 0 HA LEU A 77 -5.196 3.378 8.166 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -7.034 5.580 8.835 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -7.631 3.991 9.271 1.00 0.66 H new ATOM 0 HG LEU A 77 -6.398 5.127 11.101 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -4.981 3.200 11.720 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -6.547 2.680 11.052 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -5.080 2.599 10.048 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -3.939 5.296 10.970 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -3.999 4.770 9.271 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -4.736 6.317 9.750 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.637 1.791 7.061 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.327 0.830 6.266 1.00 0.39 C ATOM 1188 C PHE A 78 -7.637 -0.427 7.073 1.00 0.36 C ATOM 1189 O PHE A 78 -7.060 -0.659 8.136 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.483 0.485 5.043 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.277 1.645 4.106 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -7.330 2.482 3.771 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -5.030 1.906 3.572 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -7.142 3.554 2.923 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.833 2.978 2.723 1.00 0.78 C ATOM 1196 CZ PHE A 78 -5.891 3.804 2.399 1.00 0.84 C ATOM 0 H PHE A 78 -5.858 1.411 7.599 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.276 1.258 5.942 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -5.511 0.119 5.374 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -6.962 -0.330 4.500 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -8.312 2.292 4.180 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.198 1.264 3.821 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -7.973 4.196 2.670 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.852 3.170 2.313 1.00 0.78 H new ATOM 0 HZ PHE A 78 -5.739 4.644 1.737 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.568 -1.207 6.563 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.981 -2.456 7.177 1.00 0.37 C ATOM 1208 C LEU A 79 -8.295 -3.617 6.470 1.00 0.35 C ATOM 1209 O LEU A 79 -8.195 -3.631 5.243 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.505 -2.599 7.106 1.00 0.44 C ATOM 1211 CG LEU A 79 -11.098 -3.778 7.881 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -10.959 -3.560 9.379 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -12.558 -3.986 7.506 1.00 1.09 C ATOM 0 H LEU A 79 -9.066 -0.990 5.700 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.689 -2.461 8.227 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.956 -1.679 7.479 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.794 -2.694 6.059 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.542 -4.676 7.612 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -11.387 -4.409 9.912 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -9.904 -3.464 9.636 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -11.486 -2.650 9.665 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -12.961 -4.829 8.068 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -13.126 -3.087 7.743 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -12.634 -4.192 6.438 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.829 -4.574 7.243 1.00 0.39 N ATOM 1226 CA GLU A 80 -7.032 -5.674 6.715 1.00 0.42 C ATOM 1227 C GLU A 80 -7.909 -6.876 6.396 1.00 0.40 C ATOM 1228 O GLU A 80 -8.751 -7.292 7.195 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.955 -6.073 7.732 1.00 0.57 C ATOM 1230 CG GLU A 80 -5.202 -7.360 7.398 1.00 0.97 C ATOM 1231 CD GLU A 80 -4.336 -7.263 6.152 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -3.226 -6.707 6.236 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -4.780 -7.718 5.080 1.00 2.07 O ATOM 0 H GLU A 80 -7.987 -4.617 8.250 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.556 -5.340 5.793 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -5.235 -5.259 7.815 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -6.423 -6.186 8.710 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -4.572 -7.631 8.246 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -5.923 -8.167 7.265 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.698 -7.413 5.209 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.428 -8.566 4.736 1.00 0.39 C ATOM 1242 C ARG A 81 -7.434 -9.634 4.329 1.00 0.48 C ATOM 1243 O ARG A 81 -6.734 -9.506 3.328 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.346 -8.196 3.567 1.00 0.56 C ATOM 1245 CG ARG A 81 -9.956 -9.402 2.873 1.00 0.76 C ATOM 1246 CD ARG A 81 -11.064 -9.000 1.917 1.00 1.34 C ATOM 1247 NE ARG A 81 -12.246 -8.520 2.631 1.00 2.05 N ATOM 1248 CZ ARG A 81 -13.468 -9.017 2.461 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -13.681 -9.994 1.584 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -14.477 -8.537 3.173 1.00 3.75 N ATOM 0 H ARG A 81 -7.011 -7.057 4.545 1.00 0.38 H new ATOM 0 HA ARG A 81 -9.065 -8.946 5.535 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.147 -7.553 3.933 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -8.779 -7.616 2.839 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -9.180 -9.938 2.326 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -10.352 -10.090 3.620 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -10.702 -8.220 1.247 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -11.336 -9.853 1.295 1.00 1.34 H new ATOM 0 HE ARG A 81 -12.126 -7.759 3.299 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -12.905 -10.367 1.037 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -14.621 -10.371 1.458 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -14.315 -7.790 3.848 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -15.416 -8.915 3.046 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.379 -10.687 5.111 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.336 -11.674 4.964 1.00 0.82 C ATOM 1266 C LEU A 82 -6.751 -12.804 4.046 1.00 0.66 C ATOM 1267 O LEU A 82 -7.730 -13.509 4.295 1.00 0.84 O ATOM 1268 CB LEU A 82 -5.929 -12.236 6.328 1.00 1.25 C ATOM 1269 CG LEU A 82 -5.170 -11.264 7.232 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -4.915 -11.890 8.592 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -3.854 -10.856 6.584 1.00 1.65 C ATOM 0 H LEU A 82 -8.046 -10.882 5.857 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.481 -11.171 4.512 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -6.827 -12.566 6.850 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -5.310 -13.119 6.169 1.00 1.25 H new ATOM 0 HG LEU A 82 -5.782 -10.373 7.371 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -4.374 -11.184 9.222 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -5.866 -12.140 9.062 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -4.321 -12.796 8.470 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -3.325 -10.164 7.239 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.240 -11.741 6.419 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -4.054 -10.370 5.629 1.00 1.65 H new ATOM 1283 N GLU A 83 -5.993 -12.950 2.978 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.051 -14.128 2.146 1.00 0.82 C ATOM 1285 C GLU A 83 -5.138 -15.151 2.810 1.00 1.29 C ATOM 1286 O GLU A 83 -4.249 -14.770 3.574 1.00 2.03 O ATOM 1287 CB GLU A 83 -5.594 -13.758 0.724 1.00 1.39 C ATOM 1288 CG GLU A 83 -5.394 -14.923 -0.228 1.00 1.89 C ATOM 1289 CD GLU A 83 -6.636 -15.757 -0.422 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -7.681 -15.172 -0.776 1.00 2.48 O ATOM 1291 OE2 GLU A 83 -6.580 -16.984 -0.196 1.00 2.36 O ATOM 0 H GLU A 83 -5.319 -12.252 2.665 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.055 -14.541 2.051 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -6.330 -13.081 0.291 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -4.657 -13.206 0.796 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -5.067 -14.541 -1.195 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -4.594 -15.559 0.150 1.00 1.89 H new ATOM 1298 N GLU A 84 -5.319 -16.428 2.538 1.00 1.26 N ATOM 1299 CA GLU A 84 -4.696 -17.438 3.376 1.00 1.78 C ATOM 1300 C GLU A 84 -3.309 -17.802 2.865 1.00 1.46 C ATOM 1301 O GLU A 84 -3.147 -18.593 1.944 1.00 1.49 O ATOM 1302 CB GLU A 84 -5.605 -18.668 3.496 1.00 2.65 C ATOM 1303 CG GLU A 84 -6.250 -19.103 2.188 1.00 3.44 C ATOM 1304 CD GLU A 84 -7.403 -20.066 2.402 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -8.539 -19.604 2.634 1.00 3.98 O ATOM 1306 OE2 GLU A 84 -7.176 -21.294 2.330 1.00 4.35 O ATOM 0 H GLU A 84 -5.878 -16.787 1.764 1.00 1.26 H new ATOM 0 HA GLU A 84 -4.564 -17.024 4.376 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -5.021 -19.499 3.893 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -6.390 -18.455 4.221 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -6.609 -18.224 1.654 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -5.499 -19.575 1.555 1.00 3.44 H new ATOM 1313 N ASN A 85 -2.314 -17.142 3.463 1.00 1.98 N ATOM 1314 CA ASN A 85 -0.896 -17.356 3.159 1.00 2.36 C ATOM 1315 C ASN A 85 -0.607 -17.223 1.682 1.00 1.83 C ATOM 1316 O ASN A 85 0.369 -17.759 1.161 1.00 2.36 O ATOM 1317 CB ASN A 85 -0.407 -18.706 3.691 1.00 3.24 C ATOM 1318 CG ASN A 85 0.023 -18.638 5.145 1.00 4.01 C ATOM 1319 OD1 ASN A 85 1.188 -18.376 5.444 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -0.904 -18.876 6.059 1.00 4.33 N ATOM 0 H ASN A 85 -2.472 -16.435 4.181 1.00 1.98 H new ATOM 0 HA ASN A 85 -0.342 -16.570 3.672 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -1.202 -19.444 3.585 1.00 3.24 H new ATOM 0 HB3 ASN A 85 0.430 -19.050 3.084 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -0.663 -18.846 7.050 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -1.859 -19.090 5.773 1.00 4.33 H new ATOM 1327 N HIS A 86 -1.470 -16.495 1.026 1.00 1.13 N ATOM 1328 CA HIS A 86 -1.320 -16.204 -0.377 1.00 1.29 C ATOM 1329 C HIS A 86 -1.009 -14.730 -0.594 1.00 1.07 C ATOM 1330 O HIS A 86 0.010 -14.385 -1.189 1.00 1.43 O ATOM 1331 CB HIS A 86 -2.583 -16.587 -1.163 1.00 2.00 C ATOM 1332 CG HIS A 86 -2.930 -18.044 -1.107 1.00 2.54 C ATOM 1333 ND1 HIS A 86 -4.214 -18.509 -0.894 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -2.154 -19.143 -1.249 1.00 3.02 C ATOM 1335 CE1 HIS A 86 -4.207 -19.829 -0.908 1.00 3.99 C ATOM 1336 NE2 HIS A 86 -2.971 -20.236 -1.122 1.00 3.81 N ATOM 0 H HIS A 86 -2.302 -16.084 1.451 1.00 1.13 H new ATOM 0 HA HIS A 86 -0.486 -16.801 -0.746 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -3.424 -16.011 -0.778 1.00 2.00 H new ATOM 0 HB3 HIS A 86 -2.449 -16.298 -2.205 1.00 2.00 H new ATOM 0 HD1 HIS A 86 -5.037 -17.924 -0.749 1.00 3.33 H new ATOM 0 HD2 HIS A 86 -1.089 -19.157 -1.429 1.00 3.02 H new ATOM 0 HE1 HIS A 86 -5.067 -20.467 -0.768 1.00 3.99 H new ATOM 1345 N TYR A 87 -1.881 -13.869 -0.079 1.00 0.63 N ATOM 1346 CA TYR A 87 -1.839 -12.436 -0.392 1.00 0.49 C ATOM 1347 C TYR A 87 -2.531 -11.613 0.692 1.00 0.46 C ATOM 1348 O TYR A 87 -3.262 -12.149 1.525 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.518 -12.145 -1.741 1.00 0.61 C ATOM 1350 CG TYR A 87 -1.761 -12.650 -2.955 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -0.641 -11.978 -3.431 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.166 -13.800 -3.622 1.00 1.38 C ATOM 1353 CE1 TYR A 87 0.053 -12.437 -4.536 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -1.477 -14.266 -4.728 1.00 2.16 C ATOM 1355 CZ TYR A 87 -0.374 -13.573 -5.187 1.00 2.70 C ATOM 1356 OH TYR A 87 0.325 -14.039 -6.279 1.00 3.60 O ATOM 0 H TYR A 87 -2.630 -14.136 0.560 1.00 0.63 H new ATOM 0 HA TYR A 87 -0.788 -12.153 -0.445 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.511 -12.594 -1.737 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -2.656 -11.068 -1.838 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -0.307 -11.082 -2.929 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.033 -14.339 -3.271 1.00 1.38 H new ATOM 0 HE1 TYR A 87 0.926 -11.907 -4.887 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -1.800 -15.166 -5.229 1.00 2.16 H new ATOM 0 HH TYR A 87 -0.106 -14.849 -6.622 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.269 -10.314 0.687 1.00 0.38 N ATOM 1367 CA ASN A 88 -2.946 -9.376 1.575 1.00 0.38 C ATOM 1368 C ASN A 88 -3.957 -8.555 0.793 1.00 0.34 C ATOM 1369 O ASN A 88 -3.720 -8.209 -0.364 1.00 0.36 O ATOM 1370 CB ASN A 88 -1.935 -8.440 2.235 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.269 -9.051 3.451 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -0.245 -9.728 3.341 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -1.837 -8.813 4.623 1.00 1.60 N ATOM 0 H ASN A 88 -1.583 -9.880 0.069 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.461 -9.946 2.348 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.171 -8.168 1.507 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.438 -7.519 2.528 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -1.427 -9.195 5.475 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -2.684 -8.248 4.674 1.00 1.60 H new ATOM 1380 N THR A 89 -5.087 -8.266 1.412 1.00 0.36 N ATOM 1381 CA THR A 89 -6.094 -7.428 0.797 1.00 0.37 C ATOM 1382 C THR A 89 -6.395 -6.268 1.732 1.00 0.37 C ATOM 1383 O THR A 89 -6.207 -6.388 2.932 1.00 0.40 O ATOM 1384 CB THR A 89 -7.380 -8.223 0.513 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.039 -9.510 -0.019 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.261 -7.488 -0.484 1.00 0.49 C ATOM 0 H THR A 89 -5.329 -8.602 2.344 1.00 0.36 H new ATOM 0 HA THR A 89 -5.717 -7.057 -0.156 1.00 0.37 H new ATOM 0 HB THR A 89 -7.929 -8.337 1.448 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.858 -10.017 -0.198 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.164 -8.069 -0.669 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.533 -6.513 -0.079 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.718 -7.354 -1.419 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.847 -5.148 1.207 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.061 -3.982 2.047 1.00 0.42 C ATOM 1396 C TYR A 90 -8.361 -3.274 1.710 1.00 0.38 C ATOM 1397 O TYR A 90 -8.738 -3.157 0.547 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.883 -3.011 1.921 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.570 -3.575 2.417 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.286 -3.640 3.775 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.611 -4.037 1.526 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.084 -4.153 4.229 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.409 -4.551 1.973 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.158 -4.615 3.336 1.00 0.75 C ATOM 1405 OH TYR A 90 -0.955 -5.121 3.770 1.00 0.87 O ATOM 0 H TYR A 90 -7.071 -5.018 0.220 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.131 -4.330 3.078 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.772 -2.723 0.876 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.112 -2.103 2.479 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.015 -3.284 4.488 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.808 -3.994 0.465 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -2.877 -4.188 5.288 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.670 -4.900 1.267 1.00 0.85 H new ATOM 0 HH TYR A 90 -0.421 -5.404 2.998 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.039 -2.810 2.747 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.242 -2.011 2.615 1.00 0.35 C ATOM 1417 C ILE A 91 -9.869 -0.581 2.818 1.00 0.36 C ATOM 1418 O ILE A 91 -9.063 -0.262 3.691 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.279 -2.372 3.689 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -11.273 -3.868 3.944 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -12.666 -1.900 3.282 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -11.674 -4.710 2.747 1.00 1.55 C ATOM 0 H ILE A 91 -8.765 -2.981 3.714 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.672 -2.194 1.630 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.009 -1.862 4.614 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -10.274 -4.166 4.264 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -11.950 -4.086 4.770 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -13.383 -2.167 4.058 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -12.658 -0.818 3.152 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.952 -2.376 2.344 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -11.642 -5.765 3.018 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -12.685 -4.445 2.438 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -10.983 -4.525 1.924 1.00 1.55 H new ATOM 1434 N SER A 92 -10.469 0.277 2.054 1.00 0.36 N ATOM 1435 CA SER A 92 -10.307 1.670 2.275 1.00 0.40 C ATOM 1436 C SER A 92 -11.363 2.014 3.280 1.00 0.43 C ATOM 1437 O SER A 92 -12.531 2.202 2.953 1.00 0.53 O ATOM 1438 CB SER A 92 -10.457 2.434 0.962 1.00 0.47 C ATOM 1439 OG SER A 92 -11.585 1.983 0.239 1.00 1.33 O ATOM 0 H SER A 92 -11.076 0.032 1.272 1.00 0.36 H new ATOM 0 HA SER A 92 -9.319 1.940 2.647 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.554 3.500 1.167 1.00 0.47 H new ATOM 0 HB3 SER A 92 -9.559 2.306 0.358 1.00 0.47 H new ATOM 0 HG SER A 92 -12.266 2.687 0.223 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.939 2.029 4.537 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.866 2.003 5.645 1.00 0.54 C ATOM 1447 C LYS A 93 -12.672 3.289 5.714 1.00 0.57 C ATOM 1448 O LYS A 93 -13.653 3.364 6.444 1.00 0.72 O ATOM 1449 CB LYS A 93 -11.072 1.826 6.937 1.00 0.65 C ATOM 1450 CG LYS A 93 -11.860 1.215 8.078 1.00 0.84 C ATOM 1451 CD LYS A 93 -11.261 1.593 9.423 1.00 1.27 C ATOM 1452 CE LYS A 93 -9.792 1.211 9.517 1.00 1.20 C ATOM 1453 NZ LYS A 93 -9.189 1.655 10.798 1.00 1.58 N ATOM 0 H LYS A 93 -9.956 2.059 4.808 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.563 1.176 5.507 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.205 1.198 6.733 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -10.694 2.798 7.253 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -12.895 1.552 8.030 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -11.873 0.130 7.975 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -11.368 2.666 9.579 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -11.816 1.098 10.220 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -9.691 0.130 9.423 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -9.247 1.656 8.685 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -8.237 1.248 10.893 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -9.124 2.693 10.810 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -9.783 1.336 11.590 1.00 1.58 H new ATOM 1467 N LYS A 94 -12.319 4.249 4.873 1.00 0.52 N ATOM 1468 CA LYS A 94 -13.160 5.410 4.667 1.00 0.67 C ATOM 1469 C LYS A 94 -14.504 4.923 4.155 1.00 0.79 C ATOM 1470 O LYS A 94 -15.512 4.994 4.858 1.00 0.97 O ATOM 1471 CB LYS A 94 -12.530 6.398 3.668 1.00 0.69 C ATOM 1472 CG LYS A 94 -13.401 7.605 3.351 1.00 1.21 C ATOM 1473 CD LYS A 94 -13.572 8.513 4.557 1.00 1.56 C ATOM 1474 CE LYS A 94 -14.324 9.779 4.182 1.00 2.00 C ATOM 1475 NZ LYS A 94 -14.346 10.769 5.288 1.00 2.32 N ATOM 0 H LYS A 94 -11.458 4.244 4.326 1.00 0.52 H new ATOM 0 HA LYS A 94 -13.277 5.946 5.609 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -11.578 6.746 4.070 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -12.310 5.869 2.741 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -12.955 8.169 2.532 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -14.379 7.267 3.010 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -14.112 7.984 5.342 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -12.594 8.773 4.963 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -13.860 10.228 3.304 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -15.347 9.523 3.906 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -14.870 11.615 4.986 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -14.812 10.351 6.118 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -13.371 11.035 5.535 1.00 2.32 H new ATOM 1489 N HIS A 95 -14.529 4.451 2.917 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.743 3.860 2.382 1.00 0.96 C ATOM 1491 C HIS A 95 -15.775 2.337 2.432 1.00 1.01 C ATOM 1492 O HIS A 95 -16.267 1.697 1.497 1.00 1.23 O ATOM 1493 CB HIS A 95 -16.055 4.379 0.983 1.00 1.06 C ATOM 1494 CG HIS A 95 -16.365 5.834 0.989 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -15.487 6.781 0.534 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -17.441 6.512 1.452 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -15.995 7.977 0.720 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -17.180 7.844 1.274 1.00 2.32 N ATOM 0 H HIS A 95 -13.737 4.465 2.275 1.00 0.76 H new ATOM 0 HA HIS A 95 -16.537 4.188 3.054 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -15.204 4.191 0.328 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.901 3.829 0.572 1.00 1.06 H new ATOM 0 HD2 HIS A 95 -18.335 6.084 1.880 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -15.520 8.912 0.462 1.00 2.27 H new ATOM 0 HE2 HIS A 95 -17.804 8.609 1.530 1.00 2.32 H new ATOM 1507 N ALA A 96 -15.259 1.759 3.510 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.437 0.334 3.775 1.00 1.02 C ATOM 1509 C ALA A 96 -16.898 -0.086 3.578 1.00 1.03 C ATOM 1510 O ALA A 96 -17.181 -1.147 3.015 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.987 0.005 5.191 1.00 1.18 C ATOM 0 H ALA A 96 -14.714 2.254 4.216 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.824 -0.222 3.065 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -15.124 -1.060 5.378 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.934 0.261 5.307 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.580 0.578 5.904 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.816 0.771 4.020 1.00 1.07 N ATOM 1518 CA GLU A 97 -19.250 0.506 3.921 1.00 1.16 C ATOM 1519 C GLU A 97 -19.698 0.256 2.479 1.00 1.07 C ATOM 1520 O GLU A 97 -20.605 -0.541 2.235 1.00 1.18 O ATOM 1521 CB GLU A 97 -20.050 1.679 4.488 1.00 1.30 C ATOM 1522 CG GLU A 97 -19.737 3.007 3.816 1.00 2.04 C ATOM 1523 CD GLU A 97 -20.817 4.047 4.026 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -21.558 3.939 5.023 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -20.919 4.988 3.209 1.00 3.42 O ATOM 0 H GLU A 97 -17.588 1.665 4.455 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.440 -0.397 4.500 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -21.114 1.468 4.381 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -19.848 1.764 5.556 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -18.792 3.389 4.203 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -19.601 2.843 2.747 1.00 2.04 H new ATOM 1532 N LYS A 98 -19.064 0.930 1.524 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.482 0.829 0.129 1.00 0.88 C ATOM 1534 C LYS A 98 -18.779 -0.314 -0.582 1.00 0.83 C ATOM 1535 O LYS A 98 -18.974 -0.513 -1.780 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.220 2.139 -0.611 1.00 0.84 C ATOM 1537 CG LYS A 98 -20.062 3.290 -0.101 1.00 1.41 C ATOM 1538 CD LYS A 98 -19.950 4.510 -0.999 1.00 1.98 C ATOM 1539 CE LYS A 98 -20.840 5.626 -0.493 1.00 2.14 C ATOM 1540 NZ LYS A 98 -20.837 6.807 -1.397 1.00 2.65 N ATOM 0 H LYS A 98 -18.267 1.546 1.687 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.553 0.626 0.126 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -18.166 2.398 -0.516 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -19.418 1.995 -1.673 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -21.105 2.978 -0.039 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -19.747 3.552 0.909 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -18.915 4.850 -1.033 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -20.232 4.246 -2.018 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -21.859 5.255 -0.388 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -20.508 5.931 0.499 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -21.460 7.543 -1.008 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -19.869 7.180 -1.478 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -21.179 6.525 -2.338 1.00 2.65 H new ATOM 1554 N ASN A 99 -17.933 -1.029 0.158 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.274 -2.242 -0.339 1.00 0.84 C ATOM 1556 C ASN A 99 -16.060 -1.886 -1.180 1.00 0.68 C ATOM 1557 O ASN A 99 -15.593 -2.694 -1.980 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.227 -3.146 -1.143 1.00 1.01 C ATOM 1559 CG ASN A 99 -19.265 -3.857 -0.287 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -19.718 -4.948 -0.628 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -19.656 -3.247 0.820 1.00 2.00 N ATOM 0 H ASN A 99 -17.684 -0.787 1.117 1.00 0.82 H new ATOM 0 HA ASN A 99 -16.954 -2.806 0.537 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -18.739 -2.543 -1.893 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -17.640 -3.891 -1.680 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -20.355 -3.682 1.422 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -19.258 -2.342 1.071 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.561 -0.669 -1.010 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.368 -0.244 -1.707 1.00 0.44 C ATOM 1570 C TRP A 100 -13.144 -0.858 -1.050 1.00 0.41 C ATOM 1571 O TRP A 100 -13.005 -0.821 0.174 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.245 1.277 -1.679 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.299 2.012 -2.456 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.441 1.510 -3.012 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -15.288 3.405 -2.759 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -17.138 2.518 -3.639 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.444 3.692 -3.499 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.401 4.432 -2.468 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.735 4.979 -3.954 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.681 5.708 -2.919 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -15.838 5.974 -3.654 1.00 1.01 C ATOM 0 H TRP A 100 -15.968 0.036 -0.395 1.00 0.54 H new ATOM 0 HA TRP A 100 -14.436 -0.575 -2.743 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.280 1.611 -0.642 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.266 1.555 -2.070 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -16.751 0.476 -2.967 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -18.026 2.409 -4.128 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.505 4.237 -1.897 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -17.631 5.184 -4.520 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.994 6.512 -2.699 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -16.031 6.981 -3.993 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.272 -1.446 -1.846 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.010 -1.920 -1.328 1.00 0.51 C ATOM 1594 C PHE A 101 -9.953 -0.907 -1.713 1.00 0.55 C ATOM 1595 O PHE A 101 -10.064 -0.294 -2.761 1.00 0.67 O ATOM 1596 CB PHE A 101 -10.661 -3.288 -1.908 1.00 0.60 C ATOM 1597 CG PHE A 101 -11.722 -4.345 -1.736 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -12.847 -4.347 -2.543 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -11.575 -5.355 -0.798 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -13.804 -5.333 -2.424 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -12.536 -6.342 -0.669 1.00 0.79 C ATOM 1602 CZ PHE A 101 -13.651 -6.329 -1.486 1.00 0.77 C ATOM 0 H PHE A 101 -12.415 -1.604 -2.843 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.068 -2.030 -0.245 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -10.454 -3.172 -2.972 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -9.741 -3.639 -1.441 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -12.977 -3.565 -3.276 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -10.702 -5.372 -0.162 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -14.672 -5.324 -3.066 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -12.415 -7.121 0.069 1.00 0.79 H new ATOM 0 HZ PHE A 101 -14.401 -7.100 -1.389 1.00 0.77 H new ATOM 1612 N VAL A 102 -8.960 -0.683 -0.883 1.00 0.52 N ATOM 1613 CA VAL A 102 -7.913 0.246 -1.259 1.00 0.55 C ATOM 1614 C VAL A 102 -6.799 -0.500 -1.980 1.00 0.50 C ATOM 1615 O VAL A 102 -6.158 -1.385 -1.415 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.355 1.022 -0.044 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -6.846 0.082 1.034 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -6.261 1.983 -0.480 1.00 1.27 C ATOM 0 H VAL A 102 -8.853 -1.117 0.034 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.348 0.985 -1.931 1.00 0.55 H new ATOM 0 HB VAL A 102 -8.174 1.599 0.384 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -6.462 0.664 1.872 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -7.662 -0.554 1.378 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -6.048 -0.540 0.628 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -5.881 2.520 0.389 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -5.449 1.423 -0.945 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -6.668 2.696 -1.198 1.00 1.27 H new ATOM 1628 N GLY A 103 -6.607 -0.174 -3.247 1.00 0.54 N ATOM 1629 CA GLY A 103 -5.589 -0.839 -4.025 1.00 0.61 C ATOM 1630 C GLY A 103 -4.787 0.106 -4.877 1.00 0.54 C ATOM 1631 O GLY A 103 -5.258 1.152 -5.307 1.00 0.66 O ATOM 0 H GLY A 103 -7.137 0.538 -3.749 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -4.917 -1.372 -3.353 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.059 -1.586 -4.665 1.00 0.61 H new ATOM 1635 N LEU A 104 -3.569 -0.271 -5.116 1.00 0.53 N ATOM 1636 CA LEU A 104 -2.705 0.463 -6.019 1.00 0.50 C ATOM 1637 C LEU A 104 -2.027 -0.511 -6.946 1.00 0.59 C ATOM 1638 O LEU A 104 -1.697 -1.619 -6.537 1.00 0.92 O ATOM 1639 CB LEU A 104 -1.683 1.324 -5.264 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.196 0.790 -3.916 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -0.465 -0.520 -4.070 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.297 1.814 -3.242 1.00 1.27 C ATOM 0 H LEU A 104 -3.136 -1.094 -4.696 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.312 1.155 -6.602 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -0.815 1.464 -5.908 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.122 2.308 -5.101 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.072 0.612 -3.292 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -0.134 -0.869 -3.092 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -1.133 -1.259 -4.512 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.401 -0.380 -4.717 1.00 1.62 H new ATOM 0 HD21 LEU A 104 0.044 1.424 -2.283 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.564 2.017 -3.878 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -0.854 2.737 -3.081 1.00 1.27 H new ATOM 1654 N LYS A 105 -1.821 -0.156 -8.192 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.115 -1.102 -9.038 1.00 0.54 C ATOM 1656 C LYS A 105 0.352 -0.756 -9.061 1.00 0.49 C ATOM 1657 O LYS A 105 0.780 0.122 -9.787 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.676 -1.125 -10.459 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.232 -2.339 -11.259 1.00 0.94 C ATOM 1660 CD LYS A 105 -0.713 -1.936 -12.624 1.00 1.55 C ATOM 1661 CE LYS A 105 -0.271 -3.142 -13.443 1.00 1.97 C ATOM 1662 NZ LYS A 105 -1.373 -4.119 -13.666 1.00 2.09 N ATOM 0 H LYS A 105 -2.108 0.721 -8.627 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.253 -2.099 -8.620 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -2.765 -1.107 -10.413 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.364 -0.220 -10.981 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -0.453 -2.872 -10.714 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -2.069 -3.028 -11.374 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -1.491 -1.397 -13.163 1.00 1.55 H new ATOM 0 HD3 LYS A 105 0.126 -1.251 -12.505 1.00 1.55 H new ATOM 0 HE2 LYS A 105 0.109 -2.802 -14.407 1.00 1.97 H new ATOM 0 HE3 LYS A 105 0.553 -3.640 -12.933 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -1.353 -4.446 -14.653 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -1.250 -4.932 -13.029 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -2.287 -3.662 -13.471 1.00 2.09 H new ATOM 1676 N LYS A 106 1.136 -1.534 -8.346 1.00 0.46 N ATOM 1677 CA LYS A 106 2.541 -1.220 -8.191 1.00 0.44 C ATOM 1678 C LYS A 106 3.299 -1.388 -9.494 1.00 0.44 C ATOM 1679 O LYS A 106 4.346 -0.791 -9.677 1.00 0.46 O ATOM 1680 CB LYS A 106 3.181 -2.078 -7.093 1.00 0.51 C ATOM 1681 CG LYS A 106 4.210 -3.087 -7.583 1.00 0.81 C ATOM 1682 CD LYS A 106 3.573 -4.359 -8.118 1.00 1.11 C ATOM 1683 CE LYS A 106 4.585 -5.207 -8.865 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.131 -6.609 -9.057 1.00 1.57 N ATOM 0 H LYS A 106 0.829 -2.381 -7.867 1.00 0.46 H new ATOM 0 HA LYS A 106 2.604 -0.173 -7.896 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.658 -1.418 -6.369 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.392 -2.614 -6.565 1.00 0.51 H new ATOM 0 HG2 LYS A 106 4.816 -2.631 -8.366 1.00 0.81 H new ATOM 0 HG3 LYS A 106 4.884 -3.339 -6.765 1.00 0.81 H new ATOM 0 HD2 LYS A 106 3.152 -4.933 -7.293 1.00 1.11 H new ATOM 0 HD3 LYS A 106 2.747 -4.104 -8.782 1.00 1.11 H new ATOM 0 HE2 LYS A 106 4.782 -4.757 -9.838 1.00 1.02 H new ATOM 0 HE3 LYS A 106 5.527 -5.207 -8.317 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 4.725 -7.247 -8.489 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 3.140 -6.697 -8.755 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 4.210 -6.865 -10.062 1.00 1.57 H new ATOM 1698 N ASN A 107 2.808 -2.214 -10.407 1.00 0.50 N ATOM 1699 CA ASN A 107 3.537 -2.368 -11.652 1.00 0.56 C ATOM 1700 C ASN A 107 3.331 -1.128 -12.523 1.00 0.60 C ATOM 1701 O ASN A 107 4.051 -0.903 -13.495 1.00 0.70 O ATOM 1702 CB ASN A 107 3.084 -3.638 -12.381 1.00 0.67 C ATOM 1703 CG ASN A 107 3.660 -3.772 -13.779 1.00 1.47 C ATOM 1704 OD1 ASN A 107 3.030 -3.381 -14.757 1.00 2.40 O ATOM 1705 ND2 ASN A 107 4.866 -4.307 -13.880 1.00 1.84 N ATOM 0 H ASN A 107 1.952 -2.762 -10.317 1.00 0.50 H new ATOM 0 HA ASN A 107 4.601 -2.469 -11.439 1.00 0.56 H new ATOM 0 HB2 ASN A 107 3.374 -4.508 -11.792 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.996 -3.643 -12.443 1.00 0.67 H new ATOM 0 HD21 ASN A 107 5.305 -4.407 -14.795 1.00 1.84 H new ATOM 0 HD22 ASN A 107 5.357 -4.620 -13.042 1.00 1.84 H new ATOM 1712 N GLY A 108 2.375 -0.305 -12.116 1.00 0.56 N ATOM 1713 CA GLY A 108 2.161 0.980 -12.736 1.00 0.65 C ATOM 1714 C GLY A 108 2.325 2.117 -11.752 1.00 0.60 C ATOM 1715 O GLY A 108 3.401 2.690 -11.581 1.00 0.71 O ATOM 0 H GLY A 108 1.733 -0.514 -11.351 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.865 1.108 -13.558 1.00 0.65 H new ATOM 0 HA3 GLY A 108 1.160 1.013 -13.165 1.00 0.65 H new ATOM 1719 N SER A 109 1.243 2.339 -11.028 1.00 0.53 N ATOM 1720 CA SER A 109 1.026 3.525 -10.235 1.00 0.64 C ATOM 1721 C SER A 109 -0.084 3.219 -9.235 1.00 0.54 C ATOM 1722 O SER A 109 -0.752 2.191 -9.343 1.00 0.54 O ATOM 1723 CB SER A 109 0.639 4.708 -11.135 1.00 0.93 C ATOM 1724 OG SER A 109 0.603 5.926 -10.407 1.00 1.50 O ATOM 0 H SER A 109 0.470 1.675 -10.977 1.00 0.53 H new ATOM 0 HA SER A 109 1.938 3.803 -9.707 1.00 0.64 H new ATOM 0 HB2 SER A 109 1.354 4.793 -11.953 1.00 0.93 H new ATOM 0 HB3 SER A 109 -0.337 4.522 -11.583 1.00 0.93 H new ATOM 0 HG SER A 109 0.355 6.659 -11.008 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.315 4.110 -8.299 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.305 3.877 -7.270 1.00 0.82 C ATOM 1732 C CYS A 110 -2.699 4.123 -7.846 1.00 0.66 C ATOM 1733 O CYS A 110 -2.914 5.019 -8.657 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.013 4.825 -6.107 1.00 1.35 C ATOM 1735 SG CYS A 110 -2.164 4.720 -4.722 1.00 2.32 S ATOM 0 H CYS A 110 0.169 5.005 -8.228 1.00 0.76 H new ATOM 0 HA CYS A 110 -1.265 2.848 -6.913 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.007 4.623 -5.739 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -1.015 5.848 -6.484 1.00 1.35 H new ATOM 0 HG CYS A 110 -2.651 5.899 -4.472 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.627 3.269 -7.435 1.00 0.72 N ATOM 1742 CA LYS A 111 -4.809 2.976 -8.211 1.00 1.00 C ATOM 1743 C LYS A 111 -6.012 3.442 -7.460 1.00 0.75 C ATOM 1744 O LYS A 111 -6.004 3.463 -6.264 1.00 1.56 O ATOM 1745 CB LYS A 111 -4.908 1.490 -8.550 1.00 2.13 C ATOM 1746 CG LYS A 111 -4.867 1.218 -10.047 1.00 2.53 C ATOM 1747 CD LYS A 111 -3.594 1.763 -10.678 1.00 2.18 C ATOM 1748 CE LYS A 111 -3.589 1.590 -12.189 1.00 3.01 C ATOM 1749 NZ LYS A 111 -4.549 2.502 -12.863 1.00 3.59 N ATOM 0 H LYS A 111 -3.575 2.763 -6.551 1.00 0.72 H new ATOM 0 HA LYS A 111 -4.748 3.507 -9.161 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -4.089 0.957 -8.067 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -5.835 1.090 -8.139 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -4.932 0.145 -10.225 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -5.735 1.673 -10.524 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -3.492 2.820 -10.434 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -2.730 1.253 -10.252 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -2.585 1.776 -12.571 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -3.837 0.558 -12.435 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -4.427 2.434 -13.894 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -5.521 2.231 -12.611 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -4.372 3.480 -12.557 1.00 3.59 H new ATOM 1763 N ARG A 112 -7.027 3.789 -8.175 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.132 4.529 -7.649 1.00 1.36 C ATOM 1765 C ARG A 112 -9.305 3.616 -7.282 1.00 1.14 C ATOM 1766 O ARG A 112 -9.418 2.492 -7.773 1.00 1.79 O ATOM 1767 CB ARG A 112 -8.527 5.540 -8.712 1.00 2.63 C ATOM 1768 CG ARG A 112 -7.311 6.263 -9.277 1.00 3.07 C ATOM 1769 CD ARG A 112 -7.639 7.052 -10.531 1.00 4.09 C ATOM 1770 NE ARG A 112 -6.523 7.905 -10.932 1.00 4.81 N ATOM 1771 CZ ARG A 112 -6.669 9.093 -11.513 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -7.877 9.551 -11.803 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -5.603 9.827 -11.809 1.00 6.59 N ATOM 0 H ARG A 112 -7.118 3.563 -9.165 1.00 0.95 H new ATOM 0 HA ARG A 112 -7.849 5.030 -6.723 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -9.057 5.033 -9.518 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -9.218 6.267 -8.285 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -6.909 6.938 -8.521 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -6.531 5.536 -9.502 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -7.883 6.365 -11.341 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -8.523 7.665 -10.356 1.00 4.09 H new ATOM 0 HE ARG A 112 -5.576 7.570 -10.756 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -8.701 8.992 -11.581 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -7.984 10.462 -12.248 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -4.669 9.481 -11.591 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -5.718 10.737 -12.254 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.206 4.169 -6.474 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.228 3.398 -5.780 1.00 0.76 C ATOM 1789 C GLY A 113 -12.290 2.759 -6.673 1.00 0.77 C ATOM 1790 O GLY A 113 -12.742 1.656 -6.365 1.00 0.80 O ATOM 0 H GLY A 113 -10.246 5.170 -6.283 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -10.738 2.610 -5.208 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.726 4.050 -5.063 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.737 3.398 -7.778 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.729 2.796 -8.685 1.00 1.07 C ATOM 1796 C PRO A 114 -13.270 1.477 -9.325 1.00 0.90 C ATOM 1797 O PRO A 114 -14.077 0.770 -9.928 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.928 3.861 -9.771 1.00 1.40 C ATOM 1799 CG PRO A 114 -12.742 4.752 -9.662 1.00 1.38 C ATOM 1800 CD PRO A 114 -12.376 4.758 -8.210 1.00 1.03 C ATOM 0 HA PRO A 114 -14.635 2.533 -8.138 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -13.991 3.408 -10.760 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -14.853 4.415 -9.615 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -11.918 4.384 -10.273 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -12.974 5.758 -10.012 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -11.316 4.962 -8.061 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -12.928 5.518 -7.657 1.00 1.03 H new ATOM 1808 N ARG A 115 -11.990 1.134 -9.191 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.452 -0.057 -9.813 1.00 0.74 C ATOM 1810 C ARG A 115 -10.940 -1.012 -8.743 1.00 0.69 C ATOM 1811 O ARG A 115 -10.634 -2.174 -9.019 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.317 0.326 -10.766 1.00 0.96 C ATOM 1813 CG ARG A 115 -10.274 -0.525 -12.017 1.00 1.39 C ATOM 1814 CD ARG A 115 -11.559 -0.378 -12.810 1.00 1.63 C ATOM 1815 NE ARG A 115 -11.602 -1.280 -13.955 1.00 1.81 N ATOM 1816 CZ ARG A 115 -12.719 -1.830 -14.424 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -13.892 -1.512 -13.892 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -12.668 -2.677 -15.442 1.00 2.62 N ATOM 0 H ARG A 115 -11.310 1.672 -8.653 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.239 -0.554 -10.381 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -10.428 1.372 -11.050 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -9.366 0.237 -10.241 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -9.425 -0.231 -12.634 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -10.125 -1.570 -11.747 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -12.411 -0.577 -12.160 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -11.656 0.651 -13.156 1.00 1.63 H new ATOM 0 HE ARG A 115 -10.724 -1.502 -14.424 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -13.939 -0.845 -13.122 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -14.747 -1.935 -14.253 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -11.771 -2.909 -15.868 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -13.526 -3.097 -15.799 1.00 2.62 H new ATOM 1832 N THR A 116 -10.869 -0.517 -7.516 1.00 0.61 N ATOM 1833 CA THR A 116 -10.335 -1.286 -6.417 1.00 0.75 C ATOM 1834 C THR A 116 -11.434 -2.077 -5.707 1.00 0.85 C ATOM 1835 O THR A 116 -12.343 -1.535 -5.075 1.00 1.23 O ATOM 1836 CB THR A 116 -9.568 -0.386 -5.453 1.00 0.93 C ATOM 1837 OG1 THR A 116 -10.362 0.745 -5.106 1.00 0.93 O ATOM 1838 CG2 THR A 116 -8.263 0.074 -6.078 1.00 1.13 C ATOM 0 H THR A 116 -11.179 0.421 -7.262 1.00 0.61 H new ATOM 0 HA THR A 116 -9.630 -2.014 -6.820 1.00 0.75 H new ATOM 0 HB THR A 116 -9.342 -0.957 -4.552 1.00 0.93 H new ATOM 0 HG1 THR A 116 -10.549 0.731 -4.144 1.00 0.93 H new ATOM 0 HG21 THR A 116 -7.729 0.715 -5.376 1.00 1.13 H new ATOM 0 HG22 THR A 116 -7.648 -0.794 -6.317 1.00 1.13 H new ATOM 0 HG23 THR A 116 -8.473 0.632 -6.991 1.00 1.13 H new ATOM 1846 N HIS A 117 -11.281 -3.376 -5.840 1.00 0.70 N ATOM 1847 CA HIS A 117 -12.298 -4.399 -5.637 1.00 0.77 C ATOM 1848 C HIS A 117 -11.842 -5.447 -6.610 1.00 0.68 C ATOM 1849 O HIS A 117 -10.754 -5.259 -7.165 1.00 0.61 O ATOM 1850 CB HIS A 117 -13.753 -3.934 -5.912 1.00 0.89 C ATOM 1851 CG HIS A 117 -14.039 -3.425 -7.298 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -14.311 -2.104 -7.567 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -14.144 -4.072 -8.480 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -14.573 -1.964 -8.852 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -14.478 -3.144 -9.431 1.00 2.85 N ATOM 0 H HIS A 117 -10.384 -3.779 -6.111 1.00 0.70 H new ATOM 0 HA HIS A 117 -12.367 -4.726 -4.599 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -14.423 -4.769 -5.709 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.001 -3.146 -5.200 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -13.992 -5.128 -8.645 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -14.823 -1.037 -9.347 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -14.628 -3.335 -10.422 1.00 2.85 H new ATOM 1864 N TYR A 118 -12.542 -6.532 -6.870 1.00 0.73 N ATOM 1865 CA TYR A 118 -11.964 -7.383 -7.884 1.00 0.69 C ATOM 1866 C TYR A 118 -12.388 -6.803 -9.228 1.00 0.68 C ATOM 1867 O TYR A 118 -13.324 -7.249 -9.889 1.00 0.77 O ATOM 1868 CB TYR A 118 -12.472 -8.820 -7.721 1.00 0.78 C ATOM 1869 CG TYR A 118 -11.585 -9.872 -8.351 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -11.767 -10.272 -9.669 1.00 1.90 C ATOM 1871 CD2 TYR A 118 -10.574 -10.477 -7.616 1.00 2.33 C ATOM 1872 CE1 TYR A 118 -10.962 -11.243 -10.236 1.00 2.72 C ATOM 1873 CE2 TYR A 118 -9.766 -11.447 -8.175 1.00 3.13 C ATOM 1874 CZ TYR A 118 -9.964 -11.828 -9.485 1.00 3.19 C ATOM 1875 OH TYR A 118 -9.161 -12.795 -10.046 1.00 4.11 O ATOM 0 H TYR A 118 -13.421 -6.825 -6.444 1.00 0.73 H new ATOM 0 HA TYR A 118 -10.877 -7.418 -7.805 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -12.574 -9.038 -6.658 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -13.468 -8.892 -8.159 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -12.549 -9.818 -10.260 1.00 1.90 H new ATOM 0 HD2 TYR A 118 -10.417 -10.183 -6.589 1.00 2.33 H new ATOM 0 HE1 TYR A 118 -11.114 -11.542 -11.263 1.00 2.72 H new ATOM 0 HE2 TYR A 118 -8.983 -11.905 -7.589 1.00 3.13 H new ATOM 0 HH TYR A 118 -8.508 -13.103 -9.383 1.00 4.11 H new ATOM 1885 N GLY A 119 -11.651 -5.746 -9.568 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.642 -5.131 -10.867 1.00 0.65 C ATOM 1887 C GLY A 119 -10.290 -5.322 -11.500 1.00 0.65 C ATOM 1888 O GLY A 119 -10.148 -5.682 -12.669 1.00 0.73 O ATOM 0 H GLY A 119 -11.023 -5.286 -8.909 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.416 -5.572 -11.496 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -11.869 -4.068 -10.780 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.290 -5.050 -10.666 1.00 0.60 N ATOM 1893 CA GLN A 120 -7.897 -5.025 -11.060 1.00 0.64 C ATOM 1894 C GLN A 120 -7.052 -5.817 -10.072 1.00 0.62 C ATOM 1895 O GLN A 120 -7.478 -6.088 -8.954 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.400 -3.575 -11.111 1.00 0.67 C ATOM 1897 CG GLN A 120 -7.647 -2.893 -12.444 1.00 1.05 C ATOM 1898 CD GLN A 120 -6.964 -3.610 -13.590 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -5.809 -3.329 -13.910 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -7.670 -4.540 -14.211 1.00 2.13 N ATOM 0 H GLN A 120 -9.435 -4.837 -9.679 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.805 -5.478 -12.047 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -7.892 -3.004 -10.324 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.331 -3.559 -10.897 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -8.719 -2.848 -12.634 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -7.288 -1.865 -12.396 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -8.624 -4.740 -13.912 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -7.260 -5.057 -14.989 1.00 2.13 H new ATOM 1909 N LYS A 121 -5.836 -6.143 -10.483 1.00 0.75 N ATOM 1910 CA LYS A 121 -4.932 -6.950 -9.672 1.00 0.78 C ATOM 1911 C LYS A 121 -4.069 -6.028 -8.831 1.00 0.70 C ATOM 1912 O LYS A 121 -3.137 -6.456 -8.157 1.00 0.75 O ATOM 1913 CB LYS A 121 -4.061 -7.844 -10.560 1.00 1.06 C ATOM 1914 CG LYS A 121 -4.862 -8.591 -11.620 1.00 1.43 C ATOM 1915 CD LYS A 121 -5.874 -9.538 -10.990 1.00 1.94 C ATOM 1916 CE LYS A 121 -6.925 -10.006 -11.991 1.00 2.28 C ATOM 1917 NZ LYS A 121 -6.323 -10.665 -13.180 1.00 2.85 N ATOM 0 H LYS A 121 -5.448 -5.858 -11.382 1.00 0.75 H new ATOM 0 HA LYS A 121 -5.514 -7.599 -9.018 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -3.303 -7.233 -11.049 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -3.534 -8.565 -9.935 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -5.380 -7.875 -12.258 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -4.183 -9.155 -12.260 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -5.353 -10.404 -10.581 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -6.366 -9.038 -10.156 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -7.606 -10.701 -11.500 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -7.520 -9.152 -12.315 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -7.076 -11.084 -13.763 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -5.802 -9.961 -13.741 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -5.669 -11.412 -12.869 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.407 -4.748 -8.901 1.00 0.67 N ATOM 1932 CA ALA A 122 -3.810 -3.726 -8.061 1.00 0.72 C ATOM 1933 C ALA A 122 -4.213 -3.948 -6.614 1.00 0.54 C ATOM 1934 O ALA A 122 -3.589 -3.444 -5.682 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.281 -2.360 -8.530 1.00 0.92 C ATOM 0 H ALA A 122 -5.109 -4.390 -9.548 1.00 0.67 H new ATOM 0 HA ALA A 122 -2.724 -3.780 -8.133 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -3.836 -1.587 -7.903 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -3.978 -2.206 -9.566 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.367 -2.305 -8.458 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.280 -4.707 -6.449 1.00 0.44 N ATOM 1942 CA ILE A 123 -5.821 -5.011 -5.142 1.00 0.44 C ATOM 1943 C ILE A 123 -5.193 -6.292 -4.579 1.00 0.40 C ATOM 1944 O ILE A 123 -5.556 -6.756 -3.497 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.358 -5.159 -5.228 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -7.989 -5.093 -3.838 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -7.760 -6.448 -5.922 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -9.403 -5.630 -3.792 1.00 1.37 C ATOM 0 H ILE A 123 -5.796 -5.130 -7.221 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.581 -4.189 -4.467 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.729 -4.325 -5.824 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.371 -5.658 -3.140 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -7.990 -4.058 -3.497 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -8.847 -6.515 -5.963 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.358 -6.457 -6.935 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -7.364 -7.299 -5.367 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -9.789 -5.552 -2.775 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -10.035 -5.050 -4.465 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -9.406 -6.675 -4.102 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.235 -6.852 -5.308 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.610 -8.099 -4.901 1.00 0.43 C ATOM 1962 C LEU A 124 -2.229 -7.813 -4.325 1.00 0.37 C ATOM 1963 O LEU A 124 -1.224 -7.881 -5.040 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.505 -9.046 -6.102 1.00 0.63 C ATOM 1965 CG LEU A 124 -3.197 -10.505 -5.764 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -4.343 -11.120 -4.977 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -2.929 -11.302 -7.033 1.00 1.83 C ATOM 0 H LEU A 124 -3.877 -6.462 -6.180 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.219 -8.578 -4.135 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -4.444 -9.010 -6.655 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.728 -8.674 -6.769 1.00 0.63 H new ATOM 0 HG LEU A 124 -2.300 -10.535 -5.146 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -4.108 -12.159 -4.744 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -4.488 -10.564 -4.051 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -5.256 -11.079 -5.571 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -2.712 -12.338 -6.773 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -3.807 -11.266 -7.677 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -2.076 -10.873 -7.559 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.179 -7.534 -3.023 1.00 0.37 N ATOM 1980 CA PHE A 125 -0.972 -7.022 -2.394 1.00 0.45 C ATOM 1981 C PHE A 125 -0.095 -8.120 -1.823 1.00 0.36 C ATOM 1982 O PHE A 125 -0.572 -9.124 -1.286 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.337 -6.098 -1.230 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.011 -4.811 -1.601 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.308 -4.817 -2.088 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -1.347 -3.601 -1.490 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -3.929 -3.642 -2.455 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -1.965 -2.423 -1.852 1.00 1.05 C ATOM 1989 CZ PHE A 125 -3.259 -2.416 -2.237 1.00 0.85 C ATOM 0 H PHE A 125 -2.966 -7.656 -2.385 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.426 -6.497 -3.178 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -1.990 -6.644 -0.549 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.426 -5.863 -0.679 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -3.839 -5.753 -2.181 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -0.334 -3.580 -1.116 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -4.912 -3.658 -2.902 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -1.409 -1.497 -1.827 1.00 1.05 H new ATOM 0 HZ PHE A 125 -3.779 -1.480 -2.378 1.00 0.85 H new ATOM 1999 N LEU A 126 1.199 -7.890 -1.939 1.00 0.36 N ATOM 2000 CA LEU A 126 2.199 -8.723 -1.317 1.00 0.49 C ATOM 2001 C LEU A 126 3.217 -7.804 -0.663 1.00 0.48 C ATOM 2002 O LEU A 126 3.877 -7.015 -1.344 1.00 0.49 O ATOM 2003 CB LEU A 126 2.872 -9.626 -2.357 1.00 0.68 C ATOM 2004 CG LEU A 126 3.896 -10.619 -1.804 1.00 1.22 C ATOM 2005 CD1 LEU A 126 3.228 -11.610 -0.863 1.00 1.98 C ATOM 2006 CD2 LEU A 126 4.595 -11.350 -2.941 1.00 1.96 C ATOM 0 H LEU A 126 1.585 -7.111 -2.473 1.00 0.36 H new ATOM 0 HA LEU A 126 1.743 -9.374 -0.571 1.00 0.49 H new ATOM 0 HB2 LEU A 126 2.098 -10.185 -2.883 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.366 -8.994 -3.095 1.00 0.68 H new ATOM 0 HG LEU A 126 4.644 -10.063 -1.239 1.00 1.22 H new ATOM 0 HD11 LEU A 126 3.973 -12.308 -0.481 1.00 1.98 H new ATOM 0 HD12 LEU A 126 2.774 -11.072 -0.031 1.00 1.98 H new ATOM 0 HD13 LEU A 126 2.458 -12.161 -1.402 1.00 1.98 H new ATOM 0 HD21 LEU A 126 5.320 -12.053 -2.530 1.00 1.96 H new ATOM 0 HD22 LEU A 126 3.858 -11.893 -3.532 1.00 1.96 H new ATOM 0 HD23 LEU A 126 5.109 -10.628 -3.576 1.00 1.96 H new ATOM 2018 N PRO A 127 3.357 -7.874 0.659 1.00 0.54 N ATOM 2019 CA PRO A 127 4.223 -6.986 1.396 1.00 0.55 C ATOM 2020 C PRO A 127 5.516 -7.669 1.812 1.00 0.53 C ATOM 2021 O PRO A 127 5.541 -8.525 2.700 1.00 0.66 O ATOM 2022 CB PRO A 127 3.364 -6.671 2.622 1.00 0.72 C ATOM 2023 CG PRO A 127 2.459 -7.865 2.799 1.00 0.81 C ATOM 2024 CD PRO A 127 2.617 -8.741 1.572 1.00 0.68 C ATOM 0 HA PRO A 127 4.539 -6.114 0.823 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.983 -6.514 3.505 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.786 -5.759 2.472 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.724 -8.417 3.701 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.423 -7.547 2.913 1.00 0.81 H new ATOM 0 HD2 PRO A 127 3.164 -9.657 1.795 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.653 -9.038 1.158 1.00 0.68 H new ATOM 2032 N LEU A 128 6.594 -7.289 1.154 1.00 0.44 N ATOM 2033 CA LEU A 128 7.895 -7.875 1.433 1.00 0.46 C ATOM 2034 C LEU A 128 8.717 -6.897 2.251 1.00 0.39 C ATOM 2035 O LEU A 128 9.011 -5.811 1.787 1.00 0.39 O ATOM 2036 CB LEU A 128 8.619 -8.212 0.125 1.00 0.56 C ATOM 2037 CG LEU A 128 7.855 -9.142 -0.822 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.628 -9.333 -2.118 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.589 -10.485 -0.158 1.00 1.47 C ATOM 0 H LEU A 128 6.597 -6.578 0.423 1.00 0.44 H new ATOM 0 HA LEU A 128 7.762 -8.798 1.997 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.836 -7.283 -0.401 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.577 -8.673 0.367 1.00 0.56 H new ATOM 0 HG LEU A 128 6.896 -8.680 -1.056 1.00 0.98 H new ATOM 0 HD11 LEU A 128 8.071 -9.997 -2.779 1.00 1.34 H new ATOM 0 HD12 LEU A 128 8.766 -8.368 -2.605 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.602 -9.772 -1.900 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.045 -11.131 -0.848 1.00 1.47 H new ATOM 0 HD22 LEU A 128 8.537 -10.954 0.107 1.00 1.47 H new ATOM 0 HD23 LEU A 128 6.994 -10.334 0.743 1.00 1.47 H new ATOM 2051 N PRO A 129 9.132 -7.262 3.459 1.00 0.41 N ATOM 2052 CA PRO A 129 9.811 -6.323 4.343 1.00 0.40 C ATOM 2053 C PRO A 129 11.282 -6.201 3.974 1.00 0.48 C ATOM 2054 O PRO A 129 11.881 -7.152 3.462 1.00 0.55 O ATOM 2055 CB PRO A 129 9.612 -6.962 5.712 1.00 0.48 C ATOM 2056 CG PRO A 129 9.567 -8.431 5.445 1.00 0.68 C ATOM 2057 CD PRO A 129 8.979 -8.596 4.066 1.00 0.53 C ATOM 0 HA PRO A 129 9.427 -5.304 4.292 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.427 -6.708 6.389 1.00 0.48 H new ATOM 0 HB3 PRO A 129 8.690 -6.617 6.179 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.565 -8.866 5.496 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.958 -8.943 6.190 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.507 -9.359 3.494 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.933 -8.898 4.110 1.00 0.53 H new ATOM 2065 N VAL A 130 11.850 -5.019 4.220 1.00 0.56 N ATOM 2066 CA VAL A 130 13.112 -4.637 3.581 1.00 0.76 C ATOM 2067 C VAL A 130 14.224 -5.626 3.890 1.00 0.97 C ATOM 2068 O VAL A 130 14.350 -6.137 5.007 1.00 1.03 O ATOM 2069 CB VAL A 130 13.575 -3.220 3.969 1.00 0.93 C ATOM 2070 CG1 VAL A 130 14.774 -2.785 3.137 1.00 1.43 C ATOM 2071 CG2 VAL A 130 12.441 -2.219 3.828 1.00 1.36 C ATOM 0 H VAL A 130 11.462 -4.316 4.850 1.00 0.56 H new ATOM 0 HA VAL A 130 12.907 -4.647 2.511 1.00 0.76 H new ATOM 0 HB VAL A 130 13.880 -3.249 5.015 1.00 0.93 H new ATOM 0 HG11 VAL A 130 15.078 -1.781 3.434 1.00 1.43 H new ATOM 0 HG12 VAL A 130 15.600 -3.477 3.300 1.00 1.43 H new ATOM 0 HG13 VAL A 130 14.503 -2.785 2.081 1.00 1.43 H new ATOM 0 HG21 VAL A 130 12.795 -1.227 4.108 1.00 1.36 H new ATOM 0 HG22 VAL A 130 12.096 -2.203 2.794 1.00 1.36 H new ATOM 0 HG23 VAL A 130 11.617 -2.508 4.481 1.00 1.36 H new ATOM 2081 N SER A 131 15.036 -5.864 2.885 1.00 1.27 N ATOM 2082 CA SER A 131 16.074 -6.869 2.947 1.00 1.65 C ATOM 2083 C SER A 131 17.317 -6.315 3.628 1.00 1.86 C ATOM 2084 O SER A 131 17.853 -5.281 3.231 1.00 1.88 O ATOM 2085 CB SER A 131 16.409 -7.352 1.534 1.00 2.07 C ATOM 2086 OG SER A 131 15.243 -7.814 0.869 1.00 2.32 O ATOM 0 H SER A 131 14.995 -5.364 1.997 1.00 1.27 H new ATOM 0 HA SER A 131 15.713 -7.713 3.536 1.00 1.65 H new ATOM 0 HB2 SER A 131 16.860 -6.539 0.964 1.00 2.07 H new ATOM 0 HB3 SER A 131 17.146 -8.153 1.584 1.00 2.07 H new ATOM 0 HG SER A 131 15.479 -8.116 -0.033 1.00 2.32 H new ATOM 2092 N SER A 132 17.755 -7.005 4.665 1.00 2.21 N ATOM 2093 CA SER A 132 18.943 -6.620 5.394 1.00 2.54 C ATOM 2094 C SER A 132 19.865 -7.823 5.498 1.00 3.02 C ATOM 2095 O SER A 132 19.478 -8.862 6.033 1.00 3.59 O ATOM 2096 CB SER A 132 18.565 -6.102 6.787 1.00 2.98 C ATOM 2097 OG SER A 132 19.674 -5.511 7.445 1.00 2.97 O ATOM 0 H SER A 132 17.298 -7.844 5.022 1.00 2.21 H new ATOM 0 HA SER A 132 19.457 -5.817 4.867 1.00 2.54 H new ATOM 0 HB2 SER A 132 17.762 -5.370 6.698 1.00 2.98 H new ATOM 0 HB3 SER A 132 18.180 -6.925 7.389 1.00 2.98 H new ATOM 0 HG SER A 132 19.397 -5.190 8.329 1.00 2.97 H new ATOM 2103 N ASP A 133 21.060 -7.700 4.947 1.00 3.06 N ATOM 2104 CA ASP A 133 22.012 -8.796 4.954 1.00 3.74 C ATOM 2105 C ASP A 133 23.231 -8.415 5.778 1.00 3.96 C ATOM 2106 O ASP A 133 24.133 -7.744 5.234 1.00 4.33 O ATOM 2107 CB ASP A 133 22.423 -9.156 3.525 1.00 3.99 C ATOM 2108 CG ASP A 133 23.209 -10.448 3.454 1.00 4.66 C ATOM 2109 OD1 ASP A 133 22.604 -11.533 3.571 1.00 5.12 O ATOM 2110 OD2 ASP A 133 24.446 -10.384 3.304 1.00 5.00 O ATOM 2111 OXT ASP A 133 23.263 -8.751 6.978 1.00 4.10 O ATOM 0 H ASP A 133 21.394 -6.852 4.489 1.00 3.06 H new ATOM 0 HA ASP A 133 21.541 -9.670 5.404 1.00 3.74 H new ATOM 0 HB2 ASP A 133 21.531 -9.243 2.905 1.00 3.99 H new ATOM 0 HB3 ASP A 133 23.023 -8.347 3.108 1.00 3.99 H new TER 2116 ASP A 133