USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1376 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 69 TYR OH : rot 15:sc= 0.49 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.583 X(o=1.1,f=0.88) USER MOD Set 2.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 CYS SG : rot 170:sc= -0.114 USER MOD Set 3.1: A 8 SER OG : rot -138:sc= 0.396 USER MOD Set 3.2: A 10 TYR OH : rot 180:sc= 0.466 USER MOD Single : A 1 SER N :NH3+ 168:sc= -0.0521 (180deg=-0.234) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 137:sc= -2.41! (180deg=-5.1!) USER MOD Single : A 14 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.45) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 22 CYS SG : rot -100:sc= 0.523 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.297! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 43:sc= -1.91 USER MOD Single : A 37 ASN : amide:sc= -2.88! C(o=-2.9!,f=-13!) USER MOD Single : A 38 SER OG : rot -145:sc= -0.198 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.784 K(o=-0.78,f=-2.9!) USER MOD Single : A 55 SER OG : rot 56:sc= 0.222 USER MOD Single : A 57 HIS : no HD1:sc= -0.839 X(o=-0.84,f=-0.61) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -2.16! C(o=-2.2!,f=-6!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.2 X(o=-2.2,f=-2.2) USER MOD Single : A 81 SER OG : rot -87:sc= -0.371 USER MOD Single : A 82 CYS SG : rot 27:sc= -0.261 USER MOD Single : A 86 HIS : no HD1:sc= -0.289 K(o=-0.29,f=-0.85) USER MOD Single : A 88 SER OG : rot 168:sc= 0.685 USER MOD Single : A 89 SER OG : rot 180:sc= 0.253 USER MOD Single : A 92 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.0037) USER MOD Single : A 94 LYS NZ :NH3+ -136:sc= -2.44 (180deg=-5.1!) USER MOD Single : A 96 GLN :FLIP amide:sc= 0.199 F(o=-0.37,f=0.2) USER MOD Single : A 100 LYS NZ :NH3+ -161:sc= -0.182 (180deg=-0.961) USER MOD Single : A 104 ASN : amide:sc= -0.504 K(o=-0.5,f=-5.3!) USER MOD Single : A 106 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 160:sc= -0.276 USER MOD Single : A 116 SER OG : rot 130:sc= -0.048 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.115 K(o=-0.11,f=-2.2!) USER MOD Single : A 122 HIS : no HD1:sc= -1.84! C(o=-1.8!,f=-3.7!) USER MOD Single : A 127 HIS : no HE2:sc= -0.458 K(o=-0.46,f=-1.5!) USER MOD Single : A 128 SER OG : rot 86:sc= -1.64! USER MOD Single : A 129 CYS SG : rot -54:sc= -0.159! USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 44:sc= 0.564 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN :FLIP amide:sc= -0.852 F(o=-3.7!,f=-0.85) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.228 USER MOD Single : A 148 GLN : amide:sc= -4.05! C(o=-4.1!,f=-8.5!) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.0797 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot -149:sc= -6.08! USER MOD Single : A 158 LYS NZ :NH3+ 149:sc= -1.17 (180deg=-1.71) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.4!) USER MOD Single : A 171 SER OG : rot -128:sc= -0.77 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.368 -11.731 -21.711 1.00 4.50 N ATOM 2 CA SER A 1 -11.701 -11.231 -20.475 1.00 4.52 C ATOM 3 C SER A 1 -12.688 -11.274 -19.306 1.00 3.57 C ATOM 4 O SER A 1 -12.580 -10.516 -18.362 1.00 3.03 O ATOM 5 CB SER A 1 -11.234 -9.791 -20.694 1.00 4.81 C ATOM 6 OG SER A 1 -12.368 -8.950 -20.870 1.00 5.28 O ATOM 0 H1 SER A 1 -11.775 -11.515 -22.537 1.00 4.50 H new ATOM 0 H2 SER A 1 -12.502 -12.760 -21.641 1.00 4.50 H new ATOM 0 H3 SER A 1 -13.293 -11.268 -21.818 1.00 4.50 H new ATOM 0 HA SER A 1 -10.842 -11.862 -20.247 1.00 4.52 H new ATOM 0 HB2 SER A 1 -10.646 -9.454 -19.841 1.00 4.81 H new ATOM 0 HB3 SER A 1 -10.587 -9.736 -21.569 1.00 4.81 H new ATOM 0 HG SER A 1 -12.072 -8.026 -21.009 1.00 5.28 H new ATOM 14 N LYS A 2 -13.648 -12.156 -19.361 1.00 3.60 N ATOM 15 CA LYS A 2 -14.638 -12.246 -18.251 1.00 3.08 C ATOM 16 C LYS A 2 -13.903 -12.473 -16.928 1.00 2.11 C ATOM 17 O LYS A 2 -14.330 -12.016 -15.886 1.00 2.12 O ATOM 18 CB LYS A 2 -15.595 -13.409 -18.518 1.00 3.28 C ATOM 19 CG LYS A 2 -16.310 -13.186 -19.852 1.00 3.95 C ATOM 20 CD LYS A 2 -16.973 -14.490 -20.303 1.00 4.66 C ATOM 21 CE LYS A 2 -18.049 -14.897 -19.295 1.00 5.66 C ATOM 22 NZ LYS A 2 -18.950 -15.910 -19.914 1.00 5.96 N ATOM 0 H LYS A 2 -13.789 -12.817 -20.125 1.00 3.60 H new ATOM 0 HA LYS A 2 -15.206 -11.318 -18.191 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -15.044 -14.349 -18.541 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -16.324 -13.487 -17.711 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -17.060 -12.402 -19.748 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -15.599 -12.848 -20.606 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -17.416 -14.361 -21.290 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -16.225 -15.278 -20.390 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -17.586 -15.307 -18.397 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -18.623 -14.023 -18.987 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -19.682 -16.188 -19.230 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -19.401 -15.503 -20.758 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -18.396 -16.747 -20.187 1.00 5.96 H new ATOM 36 N THR A 3 -12.783 -13.144 -16.961 1.00 1.72 N ATOM 37 CA THR A 3 -12.015 -13.353 -15.701 1.00 1.18 C ATOM 38 C THR A 3 -11.214 -12.081 -15.413 1.00 1.02 C ATOM 39 O THR A 3 -10.699 -11.456 -16.319 1.00 1.63 O ATOM 40 CB THR A 3 -11.015 -14.500 -15.865 1.00 1.48 C ATOM 41 OG1 THR A 3 -10.163 -14.230 -16.969 1.00 2.13 O ATOM 42 CG2 THR A 3 -11.772 -15.808 -16.108 1.00 2.22 C ATOM 0 H THR A 3 -12.370 -13.553 -17.799 1.00 1.72 H new ATOM 0 HA THR A 3 -12.712 -13.587 -14.896 1.00 1.18 H new ATOM 0 HB THR A 3 -10.416 -14.593 -14.959 1.00 1.48 H new ATOM 0 HG1 THR A 3 -9.521 -14.963 -17.074 1.00 2.13 H new ATOM 0 HG21 THR A 3 -11.059 -16.625 -16.225 1.00 2.22 H new ATOM 0 HG22 THR A 3 -12.424 -16.014 -15.259 1.00 2.22 H new ATOM 0 HG23 THR A 3 -12.372 -15.718 -17.013 1.00 2.22 H new ATOM 50 N GLY A 4 -11.094 -11.679 -14.177 1.00 0.52 N ATOM 51 CA GLY A 4 -10.310 -10.440 -13.912 1.00 0.30 C ATOM 52 C GLY A 4 -10.302 -10.070 -12.428 1.00 0.41 C ATOM 53 O GLY A 4 -10.892 -10.725 -11.592 1.00 0.81 O ATOM 0 H GLY A 4 -11.493 -12.140 -13.359 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -9.285 -10.580 -14.256 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -10.730 -9.616 -14.488 1.00 0.30 H new ATOM 57 N GLY A 5 -9.625 -8.997 -12.120 1.00 0.01 N ATOM 58 CA GLY A 5 -9.540 -8.515 -10.712 1.00 0.01 C ATOM 59 C GLY A 5 -10.826 -7.770 -10.351 1.00 0.01 C ATOM 60 O GLY A 5 -11.538 -7.293 -11.211 1.00 0.01 O ATOM 0 H GLY A 5 -9.119 -8.425 -12.796 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -9.393 -9.357 -10.036 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.680 -7.856 -10.593 1.00 0.01 H new ATOM 64 N LYS A 6 -11.133 -7.666 -9.082 1.00 0.00 N ATOM 65 CA LYS A 6 -12.378 -6.948 -8.662 1.00 0.01 C ATOM 66 C LYS A 6 -12.158 -6.227 -7.329 1.00 0.01 C ATOM 67 O LYS A 6 -11.615 -6.774 -6.389 1.00 0.00 O ATOM 68 CB LYS A 6 -13.532 -7.941 -8.511 1.00 0.02 C ATOM 69 CG LYS A 6 -14.854 -7.178 -8.414 1.00 0.02 C ATOM 70 CD LYS A 6 -15.952 -8.110 -7.889 1.00 0.02 C ATOM 71 CE LYS A 6 -16.188 -9.249 -8.885 1.00 0.02 C ATOM 72 NZ LYS A 6 -15.135 -10.290 -8.712 1.00 0.02 N ATOM 0 H LYS A 6 -10.576 -8.047 -8.318 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.624 -6.215 -9.430 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.554 -8.621 -9.363 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.386 -8.551 -7.620 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.742 -6.321 -7.749 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -15.132 -6.788 -9.393 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -15.663 -8.517 -6.920 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -16.875 -7.550 -7.738 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -17.174 -9.685 -8.727 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -16.169 -8.864 -9.905 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -15.571 -11.234 -8.747 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -14.433 -10.204 -9.475 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -14.665 -10.159 -7.793 1.00 0.02 H new ATOM 86 N ILE A 7 -12.607 -5.000 -7.249 1.00 0.02 N ATOM 87 CA ILE A 7 -12.477 -4.200 -5.989 1.00 0.00 C ATOM 88 C ILE A 7 -13.854 -3.617 -5.652 1.00 0.02 C ATOM 89 O ILE A 7 -14.575 -3.167 -6.524 1.00 0.01 O ATOM 90 CB ILE A 7 -11.434 -3.095 -6.180 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.459 -2.151 -4.976 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.738 -2.304 -7.450 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.252 -1.210 -5.034 1.00 0.02 C ATOM 0 H ILE A 7 -13.066 -4.509 -8.016 1.00 0.02 H new ATOM 0 HA ILE A 7 -12.141 -4.828 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.447 -3.550 -6.268 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.383 -1.573 -4.974 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.440 -2.726 -4.050 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.991 -1.520 -7.578 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.713 -2.973 -8.310 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.727 -1.853 -7.370 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.272 -0.539 -4.175 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.333 -1.796 -5.015 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.291 -0.625 -5.953 1.00 0.02 H new ATOM 105 N SER A 8 -14.225 -3.620 -4.394 1.00 0.02 N ATOM 106 CA SER A 8 -15.561 -3.066 -3.982 1.00 0.02 C ATOM 107 C SER A 8 -15.373 -1.949 -2.953 1.00 0.01 C ATOM 108 O SER A 8 -14.679 -2.105 -1.970 1.00 0.02 O ATOM 109 CB SER A 8 -16.422 -4.175 -3.371 1.00 0.30 C ATOM 110 OG SER A 8 -17.314 -3.611 -2.416 1.00 0.39 O ATOM 0 H SER A 8 -13.658 -3.984 -3.628 1.00 0.02 H new ATOM 0 HA SER A 8 -16.058 -2.664 -4.865 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.984 -4.686 -4.153 1.00 0.30 H new ATOM 0 HB3 SER A 8 -15.787 -4.922 -2.895 1.00 0.30 H new ATOM 0 HG SER A 8 -17.360 -4.192 -1.628 1.00 0.39 H new ATOM 116 N PHE A 9 -16.015 -0.826 -3.175 1.00 0.02 N ATOM 117 CA PHE A 9 -15.924 0.327 -2.223 1.00 0.01 C ATOM 118 C PHE A 9 -17.285 0.516 -1.531 1.00 0.01 C ATOM 119 O PHE A 9 -18.320 0.357 -2.148 1.00 0.02 O ATOM 120 CB PHE A 9 -15.577 1.605 -3.000 1.00 0.02 C ATOM 121 CG PHE A 9 -14.513 1.323 -4.036 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.850 0.659 -5.222 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.194 1.741 -3.821 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.870 0.413 -6.191 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.214 1.496 -4.790 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.551 0.833 -5.975 1.00 0.02 C ATOM 0 H PHE A 9 -16.607 -0.658 -3.988 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.152 0.128 -1.480 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.471 1.996 -3.486 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.227 2.373 -2.310 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.867 0.336 -5.389 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.933 2.253 -2.907 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -14.131 -0.100 -7.105 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.197 1.819 -4.623 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.795 0.645 -6.723 1.00 0.02 H new ATOM 136 N TYR A 10 -17.295 0.843 -0.258 1.00 0.02 N ATOM 137 CA TYR A 10 -18.596 1.034 0.476 1.00 0.01 C ATOM 138 C TYR A 10 -18.652 2.448 1.064 1.00 0.02 C ATOM 139 O TYR A 10 -17.669 2.961 1.562 1.00 0.01 O ATOM 140 CB TYR A 10 -18.688 0.015 1.618 1.00 0.02 C ATOM 141 CG TYR A 10 -18.285 -1.355 1.119 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.938 -1.637 0.857 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.256 -2.346 0.924 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.564 -2.907 0.402 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.882 -3.615 0.469 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.536 -3.896 0.207 1.00 0.00 C ATOM 147 OH TYR A 10 -17.166 -5.148 -0.243 1.00 0.02 O ATOM 0 H TYR A 10 -16.458 0.987 0.307 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.425 0.892 -0.217 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -18.039 0.318 2.440 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.705 -0.015 2.009 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.188 -0.874 1.006 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.295 -2.130 1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.525 -3.124 0.201 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.632 -4.378 0.320 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.961 -5.715 -0.324 1.00 0.02 H new ATOM 157 N GLU A 11 -19.786 3.102 0.986 1.00 0.00 N ATOM 158 CA GLU A 11 -19.876 4.494 1.512 1.00 0.02 C ATOM 159 C GLU A 11 -19.757 4.523 3.035 1.00 0.03 C ATOM 160 O GLU A 11 -19.309 5.506 3.591 1.00 0.03 O ATOM 161 CB GLU A 11 -21.225 5.108 1.110 1.00 0.00 C ATOM 162 CG GLU A 11 -21.205 5.484 -0.370 1.00 0.00 C ATOM 163 CD GLU A 11 -22.553 6.089 -0.762 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.476 5.994 0.031 1.00 0.02 O ATOM 165 OE2 GLU A 11 -22.642 6.637 -1.849 1.00 0.01 O ATOM 0 H GLU A 11 -20.647 2.732 0.583 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.052 5.067 1.087 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -22.029 4.398 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.427 5.991 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.404 6.198 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.000 4.602 -0.977 1.00 0.00 H new ATOM 172 N ASP A 12 -20.144 3.474 3.727 1.00 0.02 N ATOM 173 CA ASP A 12 -20.039 3.475 5.222 1.00 0.01 C ATOM 174 C ASP A 12 -19.026 2.421 5.681 1.00 0.02 C ATOM 175 O ASP A 12 -18.559 1.604 4.913 1.00 0.02 O ATOM 176 CB ASP A 12 -21.404 3.153 5.839 1.00 0.01 C ATOM 177 CG ASP A 12 -22.491 3.940 5.106 1.00 0.01 C ATOM 178 OD1 ASP A 12 -22.143 4.747 4.260 1.00 0.02 O ATOM 179 OD2 ASP A 12 -23.655 3.724 5.404 1.00 0.03 O ATOM 0 H ASP A 12 -20.527 2.620 3.321 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.710 4.462 5.546 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -21.604 2.084 5.769 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.406 3.409 6.899 1.00 0.01 H new ATOM 184 N ARG A 13 -18.690 2.457 6.937 1.00 0.02 N ATOM 185 CA ARG A 13 -17.707 1.488 7.503 1.00 0.02 C ATOM 186 C ARG A 13 -18.357 0.112 7.685 1.00 0.00 C ATOM 187 O ARG A 13 -19.565 -0.029 7.701 1.00 0.02 O ATOM 188 CB ARG A 13 -17.244 2.011 8.865 1.00 0.00 C ATOM 189 CG ARG A 13 -16.396 3.269 8.669 1.00 0.01 C ATOM 190 CD ARG A 13 -16.221 3.982 10.011 1.00 0.02 C ATOM 191 NE ARG A 13 -15.493 5.267 9.803 1.00 0.03 N ATOM 192 CZ ARG A 13 -15.496 6.176 10.739 1.00 0.02 C ATOM 193 NH1 ARG A 13 -16.141 5.965 11.853 1.00 0.02 N ATOM 194 NH2 ARG A 13 -14.856 7.298 10.558 1.00 0.02 N ATOM 0 H ARG A 13 -19.060 3.128 7.610 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.862 1.387 6.822 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -18.107 2.236 9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.664 1.246 9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.423 3.003 8.257 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.875 3.935 7.951 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -17.194 4.173 10.463 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.668 3.347 10.703 1.00 0.02 H new ATOM 0 HE ARG A 13 -14.993 5.435 8.930 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -16.644 5.089 11.993 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -16.143 6.676 12.584 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -14.354 7.464 9.686 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -14.857 8.010 11.289 1.00 0.02 H new ATOM 208 N ASN A 14 -17.543 -0.902 7.819 1.00 0.02 N ATOM 209 CA ASN A 14 -18.061 -2.286 8.017 1.00 0.02 C ATOM 210 C ASN A 14 -18.867 -2.745 6.803 1.00 0.02 C ATOM 211 O ASN A 14 -19.806 -3.508 6.904 1.00 0.02 O ATOM 212 CB ASN A 14 -18.922 -2.320 9.282 1.00 0.26 C ATOM 213 CG ASN A 14 -18.273 -1.457 10.366 1.00 0.12 C ATOM 214 OD1 ASN A 14 -18.780 -0.408 10.709 1.00 0.74 O ATOM 215 ND2 ASN A 14 -17.162 -1.857 10.924 1.00 0.46 N ATOM 0 H ASN A 14 -16.526 -0.827 7.799 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.221 -2.971 8.131 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -19.924 -1.953 9.062 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -19.028 -3.346 9.635 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -16.721 -1.289 11.647 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -16.735 -2.738 10.637 1.00 0.46 H new ATOM 222 N PHE A 15 -18.466 -2.290 5.649 1.00 0.02 N ATOM 223 CA PHE A 15 -19.147 -2.690 4.387 1.00 0.02 C ATOM 224 C PHE A 15 -20.647 -2.396 4.457 1.00 0.00 C ATOM 225 O PHE A 15 -21.462 -3.160 3.975 1.00 0.02 O ATOM 226 CB PHE A 15 -18.925 -4.194 4.153 1.00 0.02 C ATOM 227 CG PHE A 15 -17.556 -4.587 4.659 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.422 -4.336 3.878 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.422 -5.198 5.912 1.00 0.02 C ATOM 230 CE1 PHE A 15 -15.155 -4.698 4.350 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.155 -5.559 6.384 1.00 0.02 C ATOM 232 CZ PHE A 15 -15.021 -5.308 5.602 1.00 0.02 C ATOM 0 H PHE A 15 -17.683 -1.648 5.526 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.726 -2.115 3.562 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.694 -4.770 4.668 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -19.012 -4.424 3.091 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.524 -3.864 2.912 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.297 -5.391 6.515 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.280 -4.506 3.747 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.052 -6.031 7.350 1.00 0.02 H new ATOM 0 HZ PHE A 15 -14.043 -5.585 5.965 1.00 0.02 H new ATOM 242 N GLN A 16 -21.011 -1.275 5.027 1.00 0.02 N ATOM 243 CA GLN A 16 -22.454 -0.889 5.111 1.00 0.02 C ATOM 244 C GLN A 16 -22.686 0.304 4.177 1.00 0.02 C ATOM 245 O GLN A 16 -21.750 0.935 3.726 1.00 0.02 O ATOM 246 CB GLN A 16 -22.786 -0.480 6.550 1.00 0.02 C ATOM 247 CG GLN A 16 -22.953 -1.733 7.412 1.00 0.00 C ATOM 248 CD GLN A 16 -23.230 -1.323 8.859 1.00 0.00 C ATOM 249 OE1 GLN A 16 -22.526 -0.505 9.417 1.00 0.02 O ATOM 250 NE2 GLN A 16 -24.234 -1.862 9.496 1.00 0.02 N ATOM 0 H GLN A 16 -20.364 -0.604 5.442 1.00 0.02 H new ATOM 0 HA GLN A 16 -23.088 -1.726 4.820 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -21.992 0.148 6.953 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.701 0.112 6.569 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -23.773 -2.342 7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.052 -2.344 7.362 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -24.825 -2.549 9.028 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -24.427 -1.596 10.462 1.00 0.02 H new ATOM 259 N GLY A 17 -23.918 0.624 3.878 1.00 0.03 N ATOM 260 CA GLY A 17 -24.188 1.784 2.975 1.00 0.03 C ATOM 261 C GLY A 17 -24.200 1.343 1.508 1.00 0.02 C ATOM 262 O GLY A 17 -24.221 0.169 1.197 1.00 0.02 O ATOM 0 H GLY A 17 -24.746 0.135 4.218 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.147 2.234 3.231 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.427 2.550 3.123 1.00 0.03 H new ATOM 266 N ARG A 18 -24.175 2.287 0.606 1.00 0.00 N ATOM 267 CA ARG A 18 -24.170 1.953 -0.850 1.00 0.02 C ATOM 268 C ARG A 18 -22.825 1.325 -1.219 1.00 0.02 C ATOM 269 O ARG A 18 -21.793 1.699 -0.699 1.00 0.02 O ATOM 270 CB ARG A 18 -24.375 3.237 -1.656 1.00 0.79 C ATOM 271 CG ARG A 18 -24.743 2.882 -3.098 1.00 1.49 C ATOM 272 CD ARG A 18 -25.033 4.165 -3.881 1.00 1.42 C ATOM 273 NE ARG A 18 -25.282 3.828 -5.310 1.00 2.07 N ATOM 274 CZ ARG A 18 -25.835 4.707 -6.101 1.00 2.35 C ATOM 275 NH1 ARG A 18 -26.171 5.882 -5.641 1.00 2.53 N ATOM 276 NH2 ARG A 18 -26.052 4.412 -7.353 1.00 2.76 N ATOM 0 H ARG A 18 -24.158 3.285 0.817 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.971 1.249 -1.073 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -25.164 3.839 -1.206 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.466 3.838 -1.639 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.927 2.333 -3.568 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.616 2.230 -3.112 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -25.900 4.673 -3.459 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -24.191 4.852 -3.800 1.00 1.42 H new ATOM 0 HE ARG A 18 -25.020 2.910 -5.671 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -26.001 6.114 -4.662 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -26.603 6.568 -6.260 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -25.790 3.495 -7.714 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -26.484 5.099 -7.971 1.00 2.76 H new ATOM 290 N ARG A 19 -22.838 0.358 -2.107 1.00 0.02 N ATOM 291 CA ARG A 19 -21.570 -0.330 -2.513 1.00 0.02 C ATOM 292 C ARG A 19 -21.340 -0.168 -4.018 1.00 0.02 C ATOM 293 O ARG A 19 -22.269 -0.093 -4.798 1.00 0.02 O ATOM 294 CB ARG A 19 -21.698 -1.823 -2.190 1.00 0.85 C ATOM 295 CG ARG A 19 -20.350 -2.519 -2.396 1.00 1.31 C ATOM 296 CD ARG A 19 -20.534 -4.032 -2.260 1.00 1.34 C ATOM 297 NE ARG A 19 -21.519 -4.320 -1.179 1.00 1.50 N ATOM 298 CZ ARG A 19 -22.059 -5.505 -1.086 1.00 1.63 C ATOM 299 NH1 ARG A 19 -21.735 -6.437 -1.939 1.00 1.72 N ATOM 300 NH2 ARG A 19 -22.923 -5.758 -0.141 1.00 1.89 N ATOM 0 H ARG A 19 -23.679 0.014 -2.571 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.731 0.110 -1.974 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -22.031 -1.954 -1.160 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.454 -2.279 -2.830 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.950 -2.277 -3.381 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.628 -2.162 -1.662 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -20.881 -4.453 -3.204 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -19.579 -4.506 -2.032 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.771 -3.591 -0.512 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -21.060 -6.240 -2.678 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -22.156 -7.363 -1.867 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -23.177 -5.029 0.526 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -23.344 -6.684 -0.070 1.00 1.89 H new ATOM 314 N TYR A 20 -20.097 -0.132 -4.423 1.00 0.02 N ATOM 315 CA TYR A 20 -19.755 0.001 -5.873 1.00 0.02 C ATOM 316 C TYR A 20 -18.694 -1.047 -6.213 1.00 0.02 C ATOM 317 O TYR A 20 -17.682 -1.147 -5.551 1.00 0.02 O ATOM 318 CB TYR A 20 -19.205 1.405 -6.150 1.00 0.02 C ATOM 319 CG TYR A 20 -18.703 1.481 -7.576 1.00 0.01 C ATOM 320 CD1 TYR A 20 -19.594 1.302 -8.641 1.00 0.02 C ATOM 321 CD2 TYR A 20 -17.347 1.730 -7.834 1.00 0.01 C ATOM 322 CE1 TYR A 20 -19.133 1.371 -9.961 1.00 0.02 C ATOM 323 CE2 TYR A 20 -16.886 1.799 -9.154 1.00 0.02 C ATOM 324 CZ TYR A 20 -17.779 1.620 -10.217 1.00 0.02 C ATOM 325 OH TYR A 20 -17.324 1.690 -11.518 1.00 0.01 O ATOM 0 H TYR A 20 -19.291 -0.190 -3.801 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.644 -0.152 -6.485 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.984 2.150 -5.988 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.396 1.633 -5.456 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -20.638 1.110 -8.444 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -16.658 1.869 -7.014 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -19.821 1.232 -10.782 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -15.842 1.990 -9.352 1.00 0.02 H new ATOM 0 HH TYR A 20 -16.361 1.870 -11.518 1.00 0.01 H new ATOM 335 N ASP A 21 -18.926 -1.840 -7.231 1.00 0.01 N ATOM 336 CA ASP A 21 -17.946 -2.908 -7.617 1.00 0.02 C ATOM 337 C ASP A 21 -17.327 -2.575 -8.976 1.00 0.00 C ATOM 338 O ASP A 21 -18.007 -2.163 -9.894 1.00 0.01 O ATOM 339 CB ASP A 21 -18.688 -4.244 -7.714 1.00 0.12 C ATOM 340 CG ASP A 21 -19.231 -4.628 -6.336 1.00 0.41 C ATOM 341 OD1 ASP A 21 -19.434 -3.735 -5.530 1.00 1.12 O ATOM 342 OD2 ASP A 21 -19.434 -5.809 -6.109 1.00 0.56 O ATOM 0 H ASP A 21 -19.759 -1.794 -7.817 1.00 0.01 H new ATOM 0 HA ASP A 21 -17.156 -2.970 -6.869 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -19.506 -4.167 -8.430 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -18.016 -5.020 -8.081 1.00 0.12 H new ATOM 347 N CYS A 22 -16.032 -2.751 -9.100 1.00 0.01 N ATOM 348 CA CYS A 22 -15.336 -2.446 -10.392 1.00 0.00 C ATOM 349 C CYS A 22 -14.440 -3.625 -10.781 1.00 0.02 C ATOM 350 O CYS A 22 -13.784 -4.222 -9.949 1.00 0.01 O ATOM 351 CB CYS A 22 -14.492 -1.180 -10.221 1.00 0.00 C ATOM 352 SG CYS A 22 -13.956 -0.586 -11.844 1.00 0.02 S ATOM 0 H CYS A 22 -15.424 -3.095 -8.357 1.00 0.01 H new ATOM 0 HA CYS A 22 -16.072 -2.285 -11.180 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -15.072 -0.409 -9.714 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.625 -1.390 -9.595 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.730 -0.960 -12.060 1.00 0.02 H new ATOM 358 N ASP A 23 -14.419 -3.966 -12.048 1.00 0.01 N ATOM 359 CA ASP A 23 -13.582 -5.115 -12.528 1.00 0.02 C ATOM 360 C ASP A 23 -12.510 -4.608 -13.496 1.00 0.00 C ATOM 361 O ASP A 23 -11.847 -5.380 -14.159 1.00 0.02 O ATOM 362 CB ASP A 23 -14.479 -6.124 -13.250 1.00 0.16 C ATOM 363 CG ASP A 23 -13.691 -7.408 -13.517 1.00 0.17 C ATOM 364 OD1 ASP A 23 -13.366 -8.092 -12.559 1.00 0.17 O ATOM 365 OD2 ASP A 23 -13.426 -7.688 -14.674 1.00 0.20 O ATOM 0 H ASP A 23 -14.951 -3.493 -12.778 1.00 0.01 H new ATOM 0 HA ASP A 23 -13.099 -5.592 -11.675 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -15.358 -6.344 -12.644 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -14.836 -5.702 -14.189 1.00 0.16 H new ATOM 370 N CYS A 24 -12.324 -3.318 -13.573 1.00 0.01 N ATOM 371 CA CYS A 24 -11.286 -2.761 -14.485 1.00 0.01 C ATOM 372 C CYS A 24 -10.918 -1.360 -13.993 1.00 0.01 C ATOM 373 O CYS A 24 -11.517 -0.852 -13.067 1.00 0.01 O ATOM 374 CB CYS A 24 -11.837 -2.683 -15.910 1.00 0.62 C ATOM 375 SG CYS A 24 -10.559 -2.038 -17.016 1.00 1.23 S ATOM 0 H CYS A 24 -12.849 -2.624 -13.041 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.404 -3.402 -14.487 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -12.156 -3.671 -16.243 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -12.716 -2.038 -15.937 1.00 0.62 H new ATOM 0 HG CYS A 24 -11.026 -1.974 -18.228 1.00 1.23 H new ATOM 381 N ASP A 25 -9.944 -0.724 -14.588 1.00 0.02 N ATOM 382 CA ASP A 25 -9.563 0.640 -14.125 1.00 0.01 C ATOM 383 C ASP A 25 -10.755 1.587 -14.273 1.00 0.02 C ATOM 384 O ASP A 25 -11.517 1.496 -15.215 1.00 0.00 O ATOM 385 CB ASP A 25 -8.408 1.157 -14.983 1.00 0.01 C ATOM 386 CG ASP A 25 -7.244 0.167 -14.923 1.00 0.01 C ATOM 387 OD1 ASP A 25 -7.502 -1.011 -14.740 1.00 0.01 O ATOM 388 OD2 ASP A 25 -6.112 0.603 -15.057 1.00 0.01 O ATOM 0 H ASP A 25 -9.399 -1.088 -15.370 1.00 0.02 H new ATOM 0 HA ASP A 25 -9.261 0.595 -13.079 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -8.737 1.286 -16.014 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -8.086 2.135 -14.626 1.00 0.01 H new ATOM 393 N CYS A 26 -10.906 2.510 -13.356 1.00 0.01 N ATOM 394 CA CYS A 26 -12.035 3.493 -13.436 1.00 0.01 C ATOM 395 C CYS A 26 -11.476 4.898 -13.218 1.00 0.01 C ATOM 396 O CYS A 26 -10.912 5.202 -12.184 1.00 0.01 O ATOM 397 CB CYS A 26 -13.083 3.175 -12.367 1.00 0.01 C ATOM 398 SG CYS A 26 -14.578 4.147 -12.677 1.00 0.02 S ATOM 0 H CYS A 26 -10.293 2.627 -12.549 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.510 3.432 -14.415 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.319 2.111 -12.380 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.688 3.402 -11.377 1.00 0.01 H new ATOM 0 HG CYS A 26 -15.537 3.726 -11.907 1.00 0.02 H new ATOM 404 N ALA A 27 -11.591 5.751 -14.201 1.00 0.01 N ATOM 405 CA ALA A 27 -11.031 7.123 -14.064 1.00 0.01 C ATOM 406 C ALA A 27 -11.945 8.003 -13.211 1.00 0.01 C ATOM 407 O ALA A 27 -11.512 8.971 -12.622 1.00 0.02 O ATOM 408 CB ALA A 27 -10.871 7.748 -15.451 1.00 0.24 C ATOM 0 H ALA A 27 -12.048 5.555 -15.091 1.00 0.01 H new ATOM 0 HA ALA A 27 -10.061 7.054 -13.572 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -10.461 8.753 -15.352 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -10.195 7.137 -16.049 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.843 7.799 -15.941 1.00 0.24 H new ATOM 414 N ASP A 28 -13.210 7.685 -13.141 1.00 0.01 N ATOM 415 CA ASP A 28 -14.147 8.515 -12.327 1.00 0.02 C ATOM 416 C ASP A 28 -15.343 7.655 -11.900 1.00 0.01 C ATOM 417 O ASP A 28 -16.247 7.399 -12.672 1.00 0.02 O ATOM 418 CB ASP A 28 -14.642 9.699 -13.165 1.00 0.67 C ATOM 419 CG ASP A 28 -15.606 10.548 -12.332 1.00 0.90 C ATOM 420 OD1 ASP A 28 -15.641 10.360 -11.126 1.00 0.87 O ATOM 421 OD2 ASP A 28 -16.291 11.373 -12.914 1.00 1.14 O ATOM 0 H ASP A 28 -13.636 6.887 -13.612 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.631 8.889 -11.443 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -13.797 10.305 -13.492 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -15.142 9.338 -14.064 1.00 0.67 H new ATOM 426 N PHE A 29 -15.352 7.214 -10.668 1.00 0.02 N ATOM 427 CA PHE A 29 -16.479 6.371 -10.153 1.00 0.02 C ATOM 428 C PHE A 29 -17.410 7.226 -9.283 1.00 0.00 C ATOM 429 O PHE A 29 -18.277 6.731 -8.585 1.00 0.02 O ATOM 430 CB PHE A 29 -15.917 5.197 -9.344 1.00 2.87 C ATOM 431 CG PHE A 29 -15.327 5.694 -8.047 1.00 3.99 C ATOM 432 CD1 PHE A 29 -14.014 6.179 -8.017 1.00 4.68 C ATOM 433 CD2 PHE A 29 -16.089 5.658 -6.875 1.00 4.52 C ATOM 434 CE1 PHE A 29 -13.466 6.633 -6.813 1.00 5.85 C ATOM 435 CE2 PHE A 29 -15.540 6.112 -5.671 1.00 5.75 C ATOM 436 CZ PHE A 29 -14.230 6.598 -5.640 1.00 6.37 C ATOM 0 H PHE A 29 -14.617 7.404 -9.986 1.00 0.02 H new ATOM 0 HA PHE A 29 -17.051 5.976 -10.992 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -16.708 4.475 -9.139 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -15.154 4.678 -9.924 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -13.425 6.203 -8.922 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -17.100 5.280 -6.899 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -12.454 7.010 -6.788 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -16.128 6.087 -4.766 1.00 5.75 H new ATOM 0 HZ PHE A 29 -13.806 6.947 -4.710 1.00 6.37 H new ATOM 446 N ARG A 30 -17.201 8.514 -9.303 1.00 0.01 N ATOM 447 CA ARG A 30 -18.028 9.435 -8.472 1.00 0.00 C ATOM 448 C ARG A 30 -19.515 9.330 -8.831 1.00 0.01 C ATOM 449 O ARG A 30 -20.368 9.640 -8.024 1.00 0.02 O ATOM 450 CB ARG A 30 -17.565 10.876 -8.698 1.00 0.32 C ATOM 451 CG ARG A 30 -16.161 11.059 -8.117 1.00 0.86 C ATOM 452 CD ARG A 30 -15.644 12.456 -8.467 1.00 1.62 C ATOM 453 NE ARG A 30 -16.623 13.478 -8.002 1.00 2.25 N ATOM 454 CZ ARG A 30 -16.270 14.731 -7.923 1.00 2.70 C ATOM 455 NH1 ARG A 30 -15.059 15.089 -8.251 1.00 3.11 N ATOM 456 NH2 ARG A 30 -17.126 15.628 -7.514 1.00 3.02 N ATOM 0 H ARG A 30 -16.485 8.973 -9.866 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.903 9.151 -7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.562 11.105 -9.764 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -18.259 11.571 -8.225 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -16.183 10.928 -7.035 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.488 10.300 -8.516 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -14.675 12.625 -7.998 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -15.496 12.542 -9.544 1.00 1.62 H new ATOM 0 HE ARG A 30 -17.570 13.198 -7.745 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -14.389 14.389 -8.569 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -14.783 16.069 -8.189 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -18.073 15.349 -7.256 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -16.848 16.608 -7.453 1.00 3.02 H new ATOM 470 N SER A 31 -19.850 8.923 -10.028 1.00 0.02 N ATOM 471 CA SER A 31 -21.292 8.842 -10.407 1.00 0.02 C ATOM 472 C SER A 31 -21.948 7.614 -9.776 1.00 0.01 C ATOM 473 O SER A 31 -23.156 7.513 -9.708 1.00 0.02 O ATOM 474 CB SER A 31 -21.406 8.749 -11.928 1.00 0.37 C ATOM 475 OG SER A 31 -21.027 9.990 -12.507 1.00 0.88 O ATOM 0 H SER A 31 -19.192 8.645 -10.756 1.00 0.02 H new ATOM 0 HA SER A 31 -21.801 9.735 -10.045 1.00 0.02 H new ATOM 0 HB2 SER A 31 -20.767 7.950 -12.303 1.00 0.37 H new ATOM 0 HB3 SER A 31 -22.428 8.500 -12.212 1.00 0.37 H new ATOM 0 HG SER A 31 -21.098 9.931 -13.483 1.00 0.88 H new ATOM 481 N TYR A 32 -21.160 6.670 -9.331 1.00 0.01 N ATOM 482 CA TYR A 32 -21.728 5.429 -8.721 1.00 0.01 C ATOM 483 C TYR A 32 -21.582 5.497 -7.205 1.00 0.02 C ATOM 484 O TYR A 32 -22.284 4.830 -6.472 1.00 0.02 O ATOM 485 CB TYR A 32 -20.951 4.220 -9.248 1.00 0.02 C ATOM 486 CG TYR A 32 -21.078 4.159 -10.751 1.00 0.02 C ATOM 487 CD1 TYR A 32 -22.151 3.478 -11.337 1.00 0.01 C ATOM 488 CD2 TYR A 32 -20.121 4.785 -11.561 1.00 0.01 C ATOM 489 CE1 TYR A 32 -22.268 3.422 -12.730 1.00 0.00 C ATOM 490 CE2 TYR A 32 -20.239 4.728 -12.953 1.00 0.02 C ATOM 491 CZ TYR A 32 -21.312 4.047 -13.539 1.00 0.02 C ATOM 492 OH TYR A 32 -21.428 3.991 -14.914 1.00 0.02 O ATOM 0 H TYR A 32 -20.141 6.705 -9.364 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.783 5.338 -8.981 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.902 4.296 -8.963 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -21.337 3.303 -8.802 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -22.889 2.995 -10.714 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -19.293 5.311 -11.110 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -23.096 2.896 -13.181 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -19.501 5.210 -13.577 1.00 0.02 H new ATOM 0 HH TYR A 32 -20.683 4.477 -15.325 1.00 0.02 H new ATOM 502 N LEU A 33 -20.667 6.293 -6.727 1.00 0.02 N ATOM 503 CA LEU A 33 -20.458 6.404 -5.253 1.00 0.02 C ATOM 504 C LEU A 33 -19.946 7.816 -4.925 1.00 0.02 C ATOM 505 O LEU A 33 -19.012 8.312 -5.524 1.00 0.02 O ATOM 506 CB LEU A 33 -19.407 5.356 -4.829 1.00 1.66 C ATOM 507 CG LEU A 33 -19.740 4.789 -3.435 1.00 2.38 C ATOM 508 CD1 LEU A 33 -21.042 3.954 -3.482 1.00 3.32 C ATOM 509 CD2 LEU A 33 -18.575 3.910 -2.966 1.00 2.80 C ATOM 0 H LEU A 33 -20.051 6.875 -7.295 1.00 0.02 H new ATOM 0 HA LEU A 33 -21.392 6.227 -4.719 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -19.377 4.547 -5.559 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.416 5.811 -4.816 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.889 5.614 -2.739 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -21.259 3.563 -2.488 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -21.867 4.585 -3.812 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -20.918 3.125 -4.179 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -18.800 3.503 -1.980 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -18.430 3.092 -3.671 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -17.666 4.509 -2.913 1.00 2.80 H new ATOM 521 N SER A 34 -20.582 8.464 -3.985 1.00 0.02 N ATOM 522 CA SER A 34 -20.181 9.852 -3.613 1.00 0.02 C ATOM 523 C SER A 34 -19.039 9.837 -2.590 1.00 0.00 C ATOM 524 O SER A 34 -18.451 10.859 -2.297 1.00 0.01 O ATOM 525 CB SER A 34 -21.388 10.570 -3.009 1.00 0.02 C ATOM 526 OG SER A 34 -22.373 10.762 -4.016 1.00 0.02 O ATOM 0 H SER A 34 -21.368 8.088 -3.455 1.00 0.02 H new ATOM 0 HA SER A 34 -19.836 10.370 -4.508 1.00 0.02 H new ATOM 0 HB2 SER A 34 -21.801 9.984 -2.188 1.00 0.02 H new ATOM 0 HB3 SER A 34 -21.084 11.531 -2.594 1.00 0.02 H new ATOM 0 HG SER A 34 -23.149 11.221 -3.631 1.00 0.02 H new ATOM 532 N ARG A 35 -18.714 8.696 -2.046 1.00 0.02 N ATOM 533 CA ARG A 35 -17.608 8.616 -1.047 1.00 0.01 C ATOM 534 C ARG A 35 -17.326 7.139 -0.769 1.00 0.02 C ATOM 535 O ARG A 35 -18.139 6.284 -1.052 1.00 0.02 O ATOM 536 CB ARG A 35 -18.033 9.310 0.250 1.00 0.02 C ATOM 537 CG ARG A 35 -16.962 9.093 1.322 1.00 0.02 C ATOM 538 CD ARG A 35 -17.203 10.052 2.490 1.00 0.02 C ATOM 539 NE ARG A 35 -18.660 10.101 2.797 1.00 0.02 N ATOM 540 CZ ARG A 35 -19.070 10.611 3.927 1.00 0.02 C ATOM 541 NH1 ARG A 35 -18.203 11.072 4.787 1.00 0.00 N ATOM 542 NH2 ARG A 35 -20.346 10.657 4.196 1.00 0.02 N ATOM 0 H ARG A 35 -19.171 7.808 -2.252 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.715 9.108 -1.432 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -18.175 10.376 0.074 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -18.989 8.913 0.591 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -16.989 8.062 1.674 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -15.971 9.260 0.900 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -16.646 9.722 3.367 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -16.839 11.048 2.238 1.00 0.02 H new ATOM 0 HE ARG A 35 -19.336 9.737 2.126 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -17.206 11.034 4.576 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.523 11.470 5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -21.022 10.295 3.524 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -20.667 11.055 5.078 1.00 0.02 H new ATOM 556 N CYS A 36 -16.187 6.820 -0.207 1.00 0.02 N ATOM 557 CA CYS A 36 -15.861 5.394 0.103 1.00 0.02 C ATOM 558 C CYS A 36 -15.074 5.349 1.416 1.00 0.02 C ATOM 559 O CYS A 36 -13.983 5.880 1.489 1.00 0.02 O ATOM 560 CB CYS A 36 -15.006 4.814 -1.025 1.00 0.02 C ATOM 561 SG CYS A 36 -13.732 6.012 -1.493 1.00 0.02 S ATOM 0 H CYS A 36 -15.464 7.491 0.052 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.777 4.810 0.197 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -14.543 3.882 -0.702 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -15.632 4.578 -1.886 1.00 0.02 H new ATOM 0 HG CYS A 36 -13.220 6.542 -0.422 1.00 0.02 H new ATOM 567 N ASN A 37 -15.607 4.756 2.465 1.00 0.02 N ATOM 568 CA ASN A 37 -14.864 4.736 3.773 1.00 0.01 C ATOM 569 C ASN A 37 -14.342 3.328 4.083 1.00 0.02 C ATOM 570 O ASN A 37 -13.733 3.085 5.107 1.00 0.02 O ATOM 571 CB ASN A 37 -15.797 5.194 4.904 1.00 0.02 C ATOM 572 CG ASN A 37 -14.972 5.644 6.113 1.00 0.01 C ATOM 573 OD1 ASN A 37 -14.955 4.985 7.133 1.00 0.03 O ATOM 574 ND2 ASN A 37 -14.283 6.748 6.042 1.00 0.02 N ATOM 0 H ASN A 37 -16.514 4.290 2.473 1.00 0.02 H new ATOM 0 HA ASN A 37 -14.014 5.414 3.696 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.427 6.013 4.558 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -16.462 4.379 5.190 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -13.731 7.057 6.842 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -14.296 7.303 5.186 1.00 0.02 H new ATOM 581 N SER A 38 -14.548 2.412 3.179 1.00 0.02 N ATOM 582 CA SER A 38 -14.050 1.021 3.369 1.00 0.02 C ATOM 583 C SER A 38 -13.886 0.396 1.988 1.00 0.01 C ATOM 584 O SER A 38 -14.526 0.801 1.037 1.00 0.02 O ATOM 585 CB SER A 38 -15.037 0.204 4.205 1.00 0.01 C ATOM 586 OG SER A 38 -15.013 0.669 5.549 1.00 0.02 O ATOM 0 H SER A 38 -15.048 2.570 2.304 1.00 0.02 H new ATOM 0 HA SER A 38 -13.098 1.032 3.900 1.00 0.02 H new ATOM 0 HB2 SER A 38 -16.042 0.296 3.794 1.00 0.01 H new ATOM 0 HB3 SER A 38 -14.774 -0.853 4.169 1.00 0.01 H new ATOM 0 HG SER A 38 -15.142 -0.087 6.159 1.00 0.02 H new ATOM 592 N ILE A 39 -13.019 -0.572 1.852 1.00 0.02 N ATOM 593 CA ILE A 39 -12.802 -1.192 0.509 1.00 0.02 C ATOM 594 C ILE A 39 -12.480 -2.682 0.650 1.00 0.02 C ATOM 595 O ILE A 39 -11.822 -3.115 1.575 1.00 0.02 O ATOM 596 CB ILE A 39 -11.614 -0.502 -0.169 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.770 1.019 -0.050 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.563 -0.897 -1.647 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.682 1.716 -0.871 1.00 0.00 C ATOM 0 H ILE A 39 -12.454 -0.960 2.607 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.710 -1.075 -0.083 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.690 -0.812 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.756 1.322 -0.403 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.700 1.321 0.995 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.717 -0.404 -2.126 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.449 -1.978 -1.731 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.487 -0.590 -2.138 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.796 2.796 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.701 1.424 -0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.773 1.425 -1.917 1.00 0.00 H new ATOM 611 N ARG A 40 -12.907 -3.456 -0.316 1.00 0.02 N ATOM 612 CA ARG A 40 -12.607 -4.919 -0.330 1.00 0.02 C ATOM 613 C ARG A 40 -11.923 -5.244 -1.660 1.00 0.01 C ATOM 614 O ARG A 40 -12.470 -4.993 -2.714 1.00 0.02 O ATOM 615 CB ARG A 40 -13.886 -5.749 -0.209 1.00 0.01 C ATOM 616 CG ARG A 40 -13.542 -7.236 -0.339 1.00 0.02 C ATOM 617 CD ARG A 40 -14.730 -8.082 0.124 1.00 0.02 C ATOM 618 NE ARG A 40 -14.520 -9.499 -0.287 1.00 0.02 N ATOM 619 CZ ARG A 40 -15.242 -10.448 0.246 1.00 0.02 C ATOM 620 NH1 ARG A 40 -16.148 -10.155 1.137 1.00 0.02 N ATOM 621 NH2 ARG A 40 -15.059 -11.690 -0.114 1.00 0.02 N ATOM 0 H ARG A 40 -13.460 -3.129 -1.108 1.00 0.02 H new ATOM 0 HA ARG A 40 -11.966 -5.163 0.517 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.367 -5.558 0.750 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.595 -5.459 -0.984 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -13.296 -7.473 -1.374 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -12.662 -7.469 0.260 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -14.836 -8.018 1.207 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.654 -7.699 -0.310 1.00 0.02 H new ATOM 0 HE ARG A 40 -13.812 -9.728 -0.985 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.293 -9.185 1.417 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -16.712 -10.896 1.553 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -14.352 -11.920 -0.812 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -15.623 -12.430 0.303 1.00 0.02 H new ATOM 635 N VAL A 41 -10.762 -5.842 -1.623 1.00 0.02 N ATOM 636 CA VAL A 41 -10.072 -6.237 -2.891 1.00 0.01 C ATOM 637 C VAL A 41 -10.196 -7.755 -3.012 1.00 0.02 C ATOM 638 O VAL A 41 -9.690 -8.493 -2.191 1.00 0.02 O ATOM 639 CB VAL A 41 -8.604 -5.815 -2.844 1.00 0.01 C ATOM 640 CG1 VAL A 41 -7.941 -6.142 -4.185 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.529 -4.304 -2.603 1.00 0.00 C ATOM 0 H VAL A 41 -10.258 -6.076 -0.767 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.524 -5.747 -3.754 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.092 -6.347 -2.042 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.893 -5.842 -4.156 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -8.007 -7.214 -4.372 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.450 -5.603 -4.984 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.485 -3.993 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.037 -3.781 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.012 -4.062 -1.656 1.00 0.00 H new ATOM 651 N GLU A 42 -10.895 -8.226 -4.011 1.00 0.01 N ATOM 652 CA GLU A 42 -11.089 -9.697 -4.160 1.00 0.01 C ATOM 653 C GLU A 42 -9.895 -10.336 -4.866 1.00 0.02 C ATOM 654 O GLU A 42 -9.537 -11.461 -4.580 1.00 0.01 O ATOM 655 CB GLU A 42 -12.364 -9.961 -4.963 1.00 0.99 C ATOM 656 CG GLU A 42 -12.761 -11.432 -4.824 1.00 1.86 C ATOM 657 CD GLU A 42 -13.973 -11.720 -5.713 1.00 3.10 C ATOM 658 OE1 GLU A 42 -13.948 -11.313 -6.863 1.00 3.81 O ATOM 659 OE2 GLU A 42 -14.904 -12.342 -5.228 1.00 3.67 O ATOM 0 H GLU A 42 -11.340 -7.655 -4.730 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.177 -10.139 -3.168 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -13.170 -9.321 -4.606 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.203 -9.715 -6.012 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -11.927 -12.073 -5.109 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -12.997 -11.659 -3.784 1.00 1.86 H new ATOM 666 N GLY A 43 -9.275 -9.653 -5.786 1.00 0.01 N ATOM 667 CA GLY A 43 -8.117 -10.274 -6.485 1.00 0.02 C ATOM 668 C GLY A 43 -7.295 -9.215 -7.220 1.00 0.02 C ATOM 669 O GLY A 43 -7.811 -8.194 -7.632 1.00 0.02 O ATOM 0 H GLY A 43 -9.515 -8.706 -6.081 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.487 -10.794 -5.763 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.473 -11.022 -7.194 1.00 0.02 H new ATOM 673 N GLY A 44 -6.027 -9.455 -7.404 1.00 0.00 N ATOM 674 CA GLY A 44 -5.186 -8.464 -8.135 1.00 0.01 C ATOM 675 C GLY A 44 -4.712 -7.362 -7.185 1.00 0.01 C ATOM 676 O GLY A 44 -5.145 -7.269 -6.055 1.00 0.01 O ATOM 0 H GLY A 44 -5.537 -10.290 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.326 -8.965 -8.579 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.757 -8.026 -8.954 1.00 0.01 H new ATOM 680 N THR A 45 -3.849 -6.506 -7.668 1.00 0.01 N ATOM 681 CA THR A 45 -3.349 -5.360 -6.843 1.00 0.00 C ATOM 682 C THR A 45 -3.728 -4.063 -7.558 1.00 0.01 C ATOM 683 O THR A 45 -3.625 -3.971 -8.765 1.00 0.01 O ATOM 684 CB THR A 45 -1.825 -5.448 -6.710 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.476 -6.646 -6.029 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.310 -4.242 -5.924 1.00 1.48 C ATOM 0 H THR A 45 -3.463 -6.551 -8.611 1.00 0.01 H new ATOM 0 HA THR A 45 -3.790 -5.388 -5.847 1.00 0.00 H new ATOM 0 HB THR A 45 -1.374 -5.452 -7.702 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.501 -6.703 -5.946 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.226 -4.305 -5.830 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.576 -3.325 -6.450 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.761 -4.235 -4.932 1.00 1.48 H new ATOM 694 N TRP A 46 -4.237 -3.082 -6.843 1.00 0.02 N ATOM 695 CA TRP A 46 -4.693 -1.819 -7.517 1.00 0.01 C ATOM 696 C TRP A 46 -4.059 -0.571 -6.901 1.00 0.01 C ATOM 697 O TRP A 46 -3.709 -0.521 -5.740 1.00 0.01 O ATOM 698 CB TRP A 46 -6.213 -1.707 -7.369 1.00 0.00 C ATOM 699 CG TRP A 46 -6.872 -2.876 -8.025 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.759 -4.161 -7.619 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.745 -2.889 -9.189 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.506 -4.964 -8.463 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.132 -4.225 -9.448 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.233 -1.879 -10.039 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.974 -4.547 -10.513 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -9.081 -2.201 -11.112 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.450 -3.532 -11.349 1.00 0.01 C ATOM 0 H TRP A 46 -4.356 -3.101 -5.830 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.390 -1.873 -8.563 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.483 -1.670 -6.314 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.564 -0.779 -7.820 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.180 -4.504 -6.774 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.585 -5.977 -8.369 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.954 -0.850 -9.865 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.256 -5.574 -10.691 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.451 -1.418 -11.758 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -10.101 -3.774 -12.176 1.00 0.01 H new ATOM 718 N ALA A 47 -3.981 0.464 -7.695 1.00 0.01 N ATOM 719 CA ALA A 47 -3.459 1.778 -7.222 1.00 0.01 C ATOM 720 C ALA A 47 -4.677 2.697 -7.167 1.00 0.01 C ATOM 721 O ALA A 47 -5.463 2.748 -8.092 1.00 0.01 O ATOM 722 CB ALA A 47 -2.420 2.319 -8.209 1.00 0.24 C ATOM 0 H ALA A 47 -4.264 0.452 -8.675 1.00 0.01 H new ATOM 0 HA ALA A 47 -2.967 1.701 -6.252 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.046 3.279 -7.853 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.593 1.614 -8.289 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -2.881 2.450 -9.188 1.00 0.24 H new ATOM 728 N VAL A 48 -4.827 3.441 -6.098 1.00 0.01 N ATOM 729 CA VAL A 48 -5.984 4.387 -5.980 1.00 0.02 C ATOM 730 C VAL A 48 -5.457 5.819 -5.897 1.00 0.01 C ATOM 731 O VAL A 48 -4.437 6.073 -5.284 1.00 0.01 O ATOM 732 CB VAL A 48 -6.806 4.057 -4.732 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.381 2.642 -4.857 1.00 0.48 C ATOM 734 CG2 VAL A 48 -5.909 4.138 -3.494 1.00 0.65 C ATOM 0 H VAL A 48 -4.195 3.434 -5.297 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.625 4.287 -6.856 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.623 4.772 -4.635 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -7.966 2.407 -3.968 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.021 2.586 -5.738 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.566 1.925 -4.954 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.494 3.903 -2.605 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.091 3.424 -3.590 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.502 5.145 -3.405 1.00 0.65 H new ATOM 744 N TYR A 49 -6.138 6.754 -6.521 1.00 0.01 N ATOM 745 CA TYR A 49 -5.677 8.180 -6.499 1.00 0.01 C ATOM 746 C TYR A 49 -6.763 9.064 -5.891 1.00 0.01 C ATOM 747 O TYR A 49 -7.950 8.838 -6.057 1.00 0.02 O ATOM 748 CB TYR A 49 -5.377 8.637 -7.926 1.00 0.01 C ATOM 749 CG TYR A 49 -4.231 7.827 -8.481 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.443 6.506 -8.892 1.00 0.01 C ATOM 751 CD2 TYR A 49 -2.955 8.395 -8.586 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.382 5.754 -9.410 1.00 0.01 C ATOM 753 CE2 TYR A 49 -1.894 7.643 -9.103 1.00 0.01 C ATOM 754 CZ TYR A 49 -2.107 6.322 -9.515 1.00 0.02 C ATOM 755 OH TYR A 49 -1.061 5.580 -10.025 1.00 0.01 O ATOM 0 H TYR A 49 -6.997 6.589 -7.046 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.773 8.260 -5.895 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.261 8.514 -8.552 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.125 9.697 -7.935 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.426 6.066 -8.809 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.790 9.414 -8.268 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.547 4.735 -9.729 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -0.911 8.082 -9.184 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.246 6.124 -10.030 1.00 0.01 H new ATOM 765 N GLU A 50 -6.333 10.058 -5.156 1.00 0.01 N ATOM 766 CA GLU A 50 -7.274 10.978 -4.457 1.00 0.01 C ATOM 767 C GLU A 50 -8.109 11.788 -5.446 1.00 0.01 C ATOM 768 O GLU A 50 -9.254 12.091 -5.172 1.00 0.02 O ATOM 769 CB GLU A 50 -6.456 11.937 -3.591 1.00 0.02 C ATOM 770 CG GLU A 50 -7.401 12.837 -2.790 1.00 0.01 C ATOM 771 CD GLU A 50 -6.592 13.659 -1.784 1.00 0.02 C ATOM 772 OE1 GLU A 50 -5.383 13.725 -1.939 1.00 0.02 O ATOM 773 OE2 GLU A 50 -7.194 14.206 -0.874 1.00 0.01 O ATOM 0 H GLU A 50 -5.347 10.273 -5.010 1.00 0.01 H new ATOM 0 HA GLU A 50 -7.957 10.383 -3.850 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.813 11.374 -2.915 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -5.804 12.544 -4.219 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -7.946 13.499 -3.462 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.142 12.231 -2.269 1.00 0.01 H new ATOM 780 N ARG A 51 -7.561 12.167 -6.579 1.00 0.02 N ATOM 781 CA ARG A 51 -8.349 12.989 -7.560 1.00 0.02 C ATOM 782 C ARG A 51 -8.343 12.288 -8.935 1.00 0.01 C ATOM 783 O ARG A 51 -7.469 11.486 -9.218 1.00 0.02 O ATOM 784 CB ARG A 51 -7.671 14.376 -7.675 1.00 0.02 C ATOM 785 CG ARG A 51 -8.353 15.381 -6.739 1.00 0.01 C ATOM 786 CD ARG A 51 -7.676 16.747 -6.878 1.00 0.02 C ATOM 787 NE ARG A 51 -6.221 16.612 -6.581 1.00 0.02 N ATOM 788 CZ ARG A 51 -5.395 17.565 -6.919 1.00 0.02 C ATOM 789 NH1 ARG A 51 -5.845 18.635 -7.518 1.00 0.02 N ATOM 790 NH2 ARG A 51 -4.122 17.449 -6.661 1.00 0.01 N ATOM 0 H ARG A 51 -6.608 11.945 -6.867 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.381 13.101 -7.226 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.614 14.294 -7.423 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -7.727 14.731 -8.704 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.412 15.461 -6.984 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.289 15.035 -5.707 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -7.818 17.134 -7.887 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -8.133 17.463 -6.195 1.00 0.02 H new ATOM 0 HE ARG A 51 -5.871 15.775 -6.114 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -6.840 18.725 -7.721 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -5.201 19.380 -7.783 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -3.770 16.613 -6.195 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -3.478 18.194 -6.926 1.00 0.01 H new ATOM 804 N PRO A 52 -9.315 12.590 -9.784 1.00 0.02 N ATOM 805 CA PRO A 52 -9.401 11.958 -11.133 1.00 0.02 C ATOM 806 C PRO A 52 -8.107 12.094 -11.942 1.00 0.01 C ATOM 807 O PRO A 52 -7.220 12.861 -11.625 1.00 0.02 O ATOM 808 CB PRO A 52 -10.570 12.726 -11.795 1.00 0.02 C ATOM 809 CG PRO A 52 -11.037 13.831 -10.829 1.00 0.01 C ATOM 810 CD PRO A 52 -10.392 13.575 -9.461 1.00 0.01 C ATOM 0 HA PRO A 52 -9.558 10.881 -11.078 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.250 13.161 -12.742 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.392 12.046 -12.018 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -10.750 14.812 -11.207 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.124 13.827 -10.744 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -9.987 14.489 -9.027 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.108 13.172 -8.745 1.00 0.01 H new ATOM 818 N ASN A 53 -8.041 11.353 -13.013 1.00 0.02 N ATOM 819 CA ASN A 53 -6.863 11.404 -13.920 1.00 0.02 C ATOM 820 C ASN A 53 -5.595 10.943 -13.205 1.00 0.01 C ATOM 821 O ASN A 53 -4.511 11.436 -13.443 1.00 0.01 O ATOM 822 CB ASN A 53 -6.683 12.838 -14.433 1.00 0.01 C ATOM 823 CG ASN A 53 -5.795 12.833 -15.681 1.00 0.02 C ATOM 824 OD1 ASN A 53 -5.032 11.912 -15.895 1.00 0.02 O ATOM 825 ND2 ASN A 53 -5.863 13.831 -16.520 1.00 0.01 N ATOM 0 H ASN A 53 -8.770 10.701 -13.302 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.039 10.729 -14.758 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.654 13.275 -14.667 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.233 13.458 -13.658 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -5.276 13.837 -17.354 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -6.503 14.605 -16.341 1.00 0.01 H new ATOM 832 N PHE A 54 -5.732 9.969 -12.344 1.00 0.02 N ATOM 833 CA PHE A 54 -4.554 9.420 -11.616 1.00 0.01 C ATOM 834 C PHE A 54 -3.673 10.551 -11.081 1.00 0.01 C ATOM 835 O PHE A 54 -2.479 10.584 -11.298 1.00 0.02 O ATOM 836 CB PHE A 54 -3.752 8.520 -12.574 1.00 1.78 C ATOM 837 CG PHE A 54 -4.692 7.867 -13.565 1.00 2.32 C ATOM 838 CD1 PHE A 54 -5.892 7.297 -13.121 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.368 7.840 -14.928 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.765 6.699 -14.038 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.243 7.244 -15.845 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.440 6.673 -15.399 1.00 3.39 C ATOM 0 H PHE A 54 -6.621 9.526 -12.113 1.00 0.02 H new ATOM 0 HA PHE A 54 -4.897 8.834 -10.763 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.003 9.110 -13.102 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.216 7.757 -12.009 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -6.144 7.319 -12.071 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -3.443 8.279 -15.272 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.689 6.258 -13.695 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -4.994 7.225 -16.896 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.114 6.212 -16.106 1.00 3.39 H new ATOM 852 N SER A 55 -4.278 11.480 -10.376 1.00 0.02 N ATOM 853 CA SER A 55 -3.511 12.635 -9.800 1.00 0.02 C ATOM 854 C SER A 55 -3.768 12.730 -8.292 1.00 0.01 C ATOM 855 O SER A 55 -4.696 12.140 -7.773 1.00 0.01 O ATOM 856 CB SER A 55 -3.976 13.928 -10.471 1.00 1.90 C ATOM 857 OG SER A 55 -3.561 13.928 -11.832 1.00 2.33 O ATOM 0 H SER A 55 -5.278 11.488 -10.173 1.00 0.02 H new ATOM 0 HA SER A 55 -2.446 12.485 -9.975 1.00 0.02 H new ATOM 0 HB2 SER A 55 -5.061 14.013 -10.410 1.00 1.90 H new ATOM 0 HB3 SER A 55 -3.559 14.791 -9.952 1.00 1.90 H new ATOM 0 HG SER A 55 -3.905 13.127 -12.279 1.00 2.33 H new ATOM 863 N GLY A 56 -2.945 13.460 -7.581 1.00 0.02 N ATOM 864 CA GLY A 56 -3.128 13.588 -6.103 1.00 0.02 C ATOM 865 C GLY A 56 -2.391 12.450 -5.386 1.00 0.02 C ATOM 866 O GLY A 56 -1.503 11.830 -5.940 1.00 0.00 O ATOM 0 H GLY A 56 -2.151 13.975 -7.963 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -2.747 14.551 -5.763 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.189 13.559 -5.855 1.00 0.02 H new ATOM 870 N HIS A 57 -2.731 12.183 -4.153 1.00 0.02 N ATOM 871 CA HIS A 57 -2.029 11.102 -3.398 1.00 0.02 C ATOM 872 C HIS A 57 -2.311 9.744 -4.042 1.00 0.01 C ATOM 873 O HIS A 57 -3.426 9.458 -4.429 1.00 0.01 O ATOM 874 CB HIS A 57 -2.519 11.091 -1.949 1.00 0.00 C ATOM 875 CG HIS A 57 -2.461 12.487 -1.392 1.00 0.01 C ATOM 876 ND1 HIS A 57 -3.131 12.851 -0.233 1.00 0.01 N ATOM 877 CD2 HIS A 57 -1.818 13.618 -1.826 1.00 0.01 C ATOM 878 CE1 HIS A 57 -2.876 14.154 -0.012 1.00 0.02 C ATOM 879 NE2 HIS A 57 -2.081 14.670 -0.954 1.00 0.01 N ATOM 0 H HIS A 57 -3.465 12.667 -3.635 1.00 0.02 H new ATOM 0 HA HIS A 57 -0.956 11.291 -3.421 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.539 10.711 -1.901 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.901 10.422 -1.350 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.201 13.682 -2.710 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -3.266 14.714 0.825 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -1.740 15.629 -1.020 1.00 0.01 H new ATOM 887 N MET A 58 -1.305 8.904 -4.142 1.00 0.02 N ATOM 888 CA MET A 58 -1.489 7.544 -4.752 1.00 0.02 C ATOM 889 C MET A 58 -1.157 6.463 -3.715 1.00 0.01 C ATOM 890 O MET A 58 -0.185 6.558 -2.991 1.00 0.01 O ATOM 891 CB MET A 58 -0.548 7.406 -5.956 1.00 2.61 C ATOM 892 CG MET A 58 -0.563 5.962 -6.479 1.00 3.46 C ATOM 893 SD MET A 58 0.622 4.969 -5.536 1.00 4.50 S ATOM 894 CE MET A 58 2.078 5.327 -6.550 1.00 5.01 C ATOM 0 H MET A 58 -0.356 9.104 -3.825 1.00 0.02 H new ATOM 0 HA MET A 58 -2.523 7.423 -5.075 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.855 8.090 -6.747 1.00 2.61 H new ATOM 0 HB3 MET A 58 0.466 7.686 -5.668 1.00 2.61 H new ATOM 0 HG2 MET A 58 -1.564 5.540 -6.386 1.00 3.46 H new ATOM 0 HG3 MET A 58 -0.307 5.944 -7.538 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.943 4.805 -6.141 1.00 5.01 H new ATOM 0 HE2 MET A 58 1.901 4.991 -7.572 1.00 5.01 H new ATOM 0 HE3 MET A 58 2.268 6.400 -6.548 1.00 5.01 H new ATOM 904 N TYR A 59 -1.970 5.438 -3.638 1.00 0.02 N ATOM 905 CA TYR A 59 -1.734 4.331 -2.651 1.00 0.01 C ATOM 906 C TYR A 59 -1.911 2.972 -3.341 1.00 0.01 C ATOM 907 O TYR A 59 -2.812 2.769 -4.130 1.00 0.02 O ATOM 908 CB TYR A 59 -2.748 4.438 -1.515 1.00 0.01 C ATOM 909 CG TYR A 59 -2.462 5.675 -0.699 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.515 5.630 0.331 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.145 6.866 -0.971 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.251 6.777 1.089 1.00 0.02 C ATOM 913 CE2 TYR A 59 -2.881 8.012 -0.214 1.00 0.01 C ATOM 914 CZ TYR A 59 -1.935 7.969 0.817 1.00 0.01 C ATOM 915 OH TYR A 59 -1.676 9.099 1.566 1.00 0.01 O ATOM 0 H TYR A 59 -2.797 5.317 -4.222 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.721 4.416 -2.259 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.759 4.482 -1.919 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.696 3.552 -0.882 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -0.988 4.711 0.541 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -3.876 6.900 -1.765 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.520 6.743 1.883 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.407 8.931 -0.425 1.00 0.01 H new ATOM 0 HH TYR A 59 -2.234 9.838 1.247 1.00 0.01 H new ATOM 925 N ILE A 60 -1.046 2.038 -3.032 1.00 0.02 N ATOM 926 CA ILE A 60 -1.131 0.671 -3.637 1.00 0.01 C ATOM 927 C ILE A 60 -1.899 -0.251 -2.683 1.00 0.01 C ATOM 928 O ILE A 60 -1.633 -0.280 -1.497 1.00 0.01 O ATOM 929 CB ILE A 60 0.286 0.125 -3.844 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.171 1.205 -4.477 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.236 -1.100 -4.761 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.488 1.783 -5.721 1.00 1.72 C ATOM 0 H ILE A 60 -0.274 2.166 -2.378 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.648 0.719 -4.596 1.00 0.01 H new ATOM 0 HB ILE A 60 0.704 -0.162 -2.879 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.362 1.999 -3.755 1.00 1.35 H new ATOM 0 HG13 ILE A 60 2.138 0.781 -4.747 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.245 -1.487 -4.907 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.386 -1.871 -4.305 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.187 -0.816 -5.725 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.125 2.549 -6.163 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.321 0.987 -6.447 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.468 2.224 -5.439 1.00 1.72 H new ATOM 944 N LEU A 61 -2.872 -0.979 -3.186 1.00 0.01 N ATOM 945 CA LEU A 61 -3.694 -1.878 -2.304 1.00 0.01 C ATOM 946 C LEU A 61 -3.566 -3.360 -2.759 1.00 0.01 C ATOM 947 O LEU A 61 -4.093 -3.723 -3.795 1.00 0.00 O ATOM 948 CB LEU A 61 -5.180 -1.429 -2.421 1.00 0.01 C ATOM 949 CG LEU A 61 -5.701 -0.868 -1.086 1.00 0.02 C ATOM 950 CD1 LEU A 61 -7.003 -0.101 -1.325 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.974 -2.021 -0.116 1.00 0.01 C ATOM 0 H LEU A 61 -3.134 -0.990 -4.172 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.343 -1.806 -1.275 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.273 -0.670 -3.198 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.795 -2.275 -2.727 1.00 0.01 H new ATOM 0 HG LEU A 61 -4.951 -0.199 -0.663 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.371 0.296 -0.379 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -6.819 0.722 -2.016 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.748 -0.773 -1.751 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -6.343 -1.622 0.829 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.722 -2.688 -0.545 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -5.052 -2.575 0.059 1.00 0.01 H new ATOM 963 N PRO A 62 -2.917 -4.233 -1.999 1.00 0.02 N ATOM 964 CA PRO A 62 -2.838 -5.667 -2.399 1.00 0.01 C ATOM 965 C PRO A 62 -4.167 -6.377 -2.092 1.00 0.00 C ATOM 966 O PRO A 62 -5.015 -5.843 -1.406 1.00 0.02 O ATOM 967 CB PRO A 62 -1.693 -6.192 -1.518 1.00 1.47 C ATOM 968 CG PRO A 62 -1.489 -5.190 -0.365 1.00 1.29 C ATOM 969 CD PRO A 62 -2.217 -3.880 -0.726 1.00 0.82 C ATOM 0 HA PRO A 62 -2.662 -5.829 -3.462 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.934 -7.180 -1.127 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.778 -6.295 -2.102 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -1.882 -5.598 0.566 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.427 -5.003 -0.208 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -2.919 -3.579 0.052 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.520 -3.054 -0.863 1.00 0.82 H new ATOM 977 N GLN A 63 -4.363 -7.568 -2.593 1.00 0.02 N ATOM 978 CA GLN A 63 -5.643 -8.288 -2.326 1.00 0.00 C ATOM 979 C GLN A 63 -5.915 -8.356 -0.818 1.00 0.00 C ATOM 980 O GLN A 63 -5.014 -8.544 -0.026 1.00 0.02 O ATOM 981 CB GLN A 63 -5.556 -9.713 -2.890 1.00 1.27 C ATOM 982 CG GLN A 63 -4.228 -10.371 -2.479 1.00 1.67 C ATOM 983 CD GLN A 63 -3.112 -9.947 -3.439 1.00 2.43 C ATOM 984 OE1 GLN A 63 -2.329 -9.071 -3.131 1.00 4.25 O ATOM 985 NE2 GLN A 63 -3.008 -10.538 -4.599 1.00 3.04 N ATOM 0 H GLN A 63 -3.694 -8.073 -3.174 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.457 -7.747 -2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.393 -10.308 -2.524 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -5.635 -9.686 -3.977 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.971 -10.083 -1.460 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.333 -11.456 -2.487 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -3.666 -11.274 -4.857 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -2.269 -10.264 -5.247 1.00 3.04 H new ATOM 994 N GLY A 64 -7.153 -8.213 -0.407 1.00 0.02 N ATOM 995 CA GLY A 64 -7.457 -8.283 1.054 1.00 0.01 C ATOM 996 C GLY A 64 -8.743 -7.516 1.376 1.00 0.02 C ATOM 997 O GLY A 64 -9.408 -6.989 0.505 1.00 0.02 O ATOM 0 H GLY A 64 -7.957 -8.053 -1.014 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.562 -9.324 1.359 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.627 -7.866 1.624 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.101 -7.461 2.635 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.348 -6.744 3.057 1.00 0.02 C ATOM 1003 C GLU A 65 -9.994 -5.613 4.024 1.00 0.02 C ATOM 1004 O GLU A 65 -9.272 -5.799 4.985 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.278 -7.734 3.763 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.681 -7.130 3.872 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.501 -7.924 4.891 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -13.027 -8.090 6.002 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -14.590 -8.351 4.542 1.00 0.96 O ATOM 0 H GLU A 65 -8.577 -7.887 3.399 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.841 -6.327 2.179 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.316 -8.672 3.208 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.893 -7.966 4.756 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.616 -6.085 4.176 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -13.173 -7.149 2.900 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.524 -4.442 3.774 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.268 -3.266 4.657 1.00 0.02 C ATOM 1018 C TYR A 66 -11.627 -2.759 5.184 1.00 0.02 C ATOM 1019 O TYR A 66 -12.319 -2.044 4.482 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.610 -2.173 3.816 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.299 -2.697 3.283 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.283 -3.516 2.147 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -7.100 -2.374 3.928 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -7.067 -4.009 1.656 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.884 -2.869 3.439 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.869 -3.687 2.302 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.671 -4.175 1.818 1.00 0.01 O ATOM 0 H TYR A 66 -11.135 -4.250 2.980 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.620 -3.533 5.492 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.264 -1.884 2.993 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.443 -1.281 4.419 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.208 -3.768 1.650 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.112 -1.742 4.804 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -7.055 -4.638 0.778 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.959 -2.620 3.938 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.936 -3.856 2.382 1.00 0.01 H new ATOM 1037 N PRO A 67 -12.033 -3.131 6.388 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.351 -2.684 6.919 1.00 0.02 C ATOM 1039 C PRO A 67 -13.404 -1.182 7.241 1.00 0.02 C ATOM 1040 O PRO A 67 -14.445 -0.665 7.596 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.520 -3.542 8.192 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.208 -4.314 8.440 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.230 -4.010 7.288 1.00 0.01 C ATOM 0 HA PRO A 67 -14.150 -2.815 6.189 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.754 -2.908 9.047 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.351 -4.237 8.073 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.771 -4.020 9.394 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.404 -5.385 8.496 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.330 -3.508 7.644 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -10.908 -4.920 6.781 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.317 -0.471 7.105 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.351 0.991 7.392 1.00 0.01 C ATOM 1053 C GLU A 68 -11.188 1.647 6.647 1.00 0.03 C ATOM 1054 O GLU A 68 -10.210 1.015 6.305 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.188 1.242 8.896 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.439 0.768 9.645 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.433 1.340 11.064 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -12.476 2.016 11.407 1.00 1.55 O ATOM 1059 OE2 GLU A 68 -14.386 1.093 11.785 1.00 2.02 O ATOM 0 H GLU A 68 -11.412 -0.837 6.809 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.305 1.407 7.069 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.310 0.715 9.268 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -12.024 2.304 9.080 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.336 1.090 9.116 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.463 -0.321 9.681 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.324 2.907 6.349 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.269 3.610 5.566 1.00 0.02 C ATOM 1068 C TYR A 69 -8.914 3.599 6.282 1.00 0.01 C ATOM 1069 O TYR A 69 -7.876 3.455 5.661 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.721 5.045 5.272 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.746 5.852 6.548 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -11.805 5.701 7.452 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -9.712 6.755 6.827 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -11.833 6.453 8.632 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -9.740 7.508 8.008 1.00 0.02 C ATOM 1076 CZ TYR A 69 -10.799 7.356 8.910 1.00 0.02 C ATOM 1077 OH TYR A 69 -10.826 8.099 10.073 1.00 0.01 O ATOM 0 H TYR A 69 -12.123 3.484 6.614 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.130 3.074 4.627 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -10.045 5.508 4.553 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.712 5.037 4.818 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.601 5.003 7.238 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -8.894 6.871 6.132 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -12.651 6.337 9.328 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -8.944 8.206 8.222 1.00 0.02 H new ATOM 0 HH TYR A 69 -11.483 7.716 10.691 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.910 3.755 7.578 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.623 3.753 8.333 1.00 0.02 C ATOM 1089 C GLN A 70 -6.895 2.415 8.150 1.00 0.01 C ATOM 1090 O GLN A 70 -5.693 2.325 8.275 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.914 3.958 9.823 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.812 5.182 10.009 1.00 0.01 C ATOM 1093 CD GLN A 70 -9.131 5.362 11.494 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -9.083 4.416 12.256 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -9.457 6.545 11.941 1.00 0.02 N ATOM 0 H GLN A 70 -9.745 3.884 8.149 1.00 0.01 H new ATOM 0 HA GLN A 70 -6.992 4.557 7.954 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.400 3.073 10.234 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -6.981 4.093 10.370 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.316 6.072 9.623 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.734 5.059 9.441 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -9.497 7.339 11.301 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -9.671 6.675 12.930 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.626 1.376 7.840 1.00 0.01 N ATOM 1105 CA ARG A 71 -6.982 0.044 7.641 1.00 0.02 C ATOM 1106 C ARG A 71 -6.133 0.084 6.368 1.00 0.01 C ATOM 1107 O ARG A 71 -5.266 -0.739 6.151 1.00 0.02 O ATOM 1108 CB ARG A 71 -8.058 -1.041 7.513 1.00 0.34 C ATOM 1109 CG ARG A 71 -7.434 -2.438 7.694 1.00 0.72 C ATOM 1110 CD ARG A 71 -7.351 -2.797 9.183 1.00 1.04 C ATOM 1111 NE ARG A 71 -6.867 -4.199 9.326 1.00 1.67 N ATOM 1112 CZ ARG A 71 -6.427 -4.622 10.480 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -6.409 -3.818 11.506 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -6.001 -5.849 10.606 1.00 3.42 N ATOM 0 H ARG A 71 -8.638 1.392 7.716 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.348 -0.187 8.497 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.835 -0.883 8.261 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -8.538 -0.973 6.537 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -8.032 -3.182 7.167 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -6.438 -2.458 7.252 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -6.675 -2.113 9.697 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -8.330 -2.689 9.650 1.00 1.04 H new ATOM 0 HE ARG A 71 -6.879 -4.828 8.523 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -6.739 -2.858 11.407 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -6.065 -4.149 12.407 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -6.012 -6.478 9.803 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -5.657 -6.179 11.508 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.393 1.051 5.530 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.638 1.200 4.250 1.00 0.01 C ATOM 1130 C TRP A 72 -4.717 2.423 4.391 1.00 0.01 C ATOM 1131 O TRP A 72 -4.138 2.903 3.439 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.681 1.373 3.119 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.184 2.249 2.011 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.133 1.973 1.205 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.713 3.532 1.570 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -4.985 3.007 0.298 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -5.935 3.992 0.483 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -7.785 4.332 2.006 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.211 5.207 -0.150 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.065 5.554 1.372 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.280 5.989 0.296 1.00 0.02 C ATOM 0 H TRP A 72 -7.112 1.759 5.681 1.00 0.02 H new ATOM 0 HA TRP A 72 -5.017 0.335 4.016 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -6.941 0.394 2.716 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.594 1.800 3.533 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.512 1.091 1.261 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.262 3.038 -0.420 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.397 4.005 2.834 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.602 5.539 -0.978 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -8.889 6.161 1.716 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.501 6.928 -0.189 1.00 0.02 H new ATOM 1152 N MET A 73 -4.584 2.917 5.591 1.00 0.02 N ATOM 1153 CA MET A 73 -3.713 4.102 5.837 1.00 0.02 C ATOM 1154 C MET A 73 -4.214 5.307 5.031 1.00 0.01 C ATOM 1155 O MET A 73 -3.477 6.231 4.751 1.00 0.02 O ATOM 1156 CB MET A 73 -2.271 3.780 5.431 1.00 0.02 C ATOM 1157 CG MET A 73 -1.891 2.384 5.931 1.00 0.01 C ATOM 1158 SD MET A 73 -2.275 2.244 7.695 1.00 0.01 S ATOM 1159 CE MET A 73 -1.182 0.845 8.053 1.00 0.01 C ATOM 0 H MET A 73 -5.047 2.546 6.421 1.00 0.02 H new ATOM 0 HA MET A 73 -3.747 4.346 6.899 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.169 3.828 4.347 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.591 4.523 5.848 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.435 1.625 5.369 1.00 0.01 H new ATOM 0 HG3 MET A 73 -0.829 2.204 5.764 1.00 0.01 H new ATOM 0 HE1 MET A 73 -1.260 0.583 9.108 1.00 0.01 H new ATOM 0 HE2 MET A 73 -1.475 -0.011 7.444 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.153 1.119 7.822 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.467 5.294 4.658 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.018 6.432 3.871 1.00 0.02 C ATOM 1171 C GLY A 74 -5.859 7.725 4.668 1.00 0.01 C ATOM 1172 O GLY A 74 -6.034 7.745 5.871 1.00 0.01 O ATOM 0 H GLY A 74 -6.129 4.546 4.864 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.498 6.514 2.917 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.070 6.257 3.647 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.574 8.817 4.010 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.463 10.111 4.746 1.00 0.02 C ATOM 1178 C LEU A 75 -6.889 10.609 5.010 1.00 0.01 C ATOM 1179 O LEU A 75 -7.167 11.240 6.010 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.688 11.129 3.898 1.00 0.55 C ATOM 1181 CG LEU A 75 -4.418 12.408 4.718 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -3.183 12.221 5.609 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -4.170 13.586 3.766 1.00 0.42 C ATOM 0 H LEU A 75 -5.414 8.870 3.004 1.00 0.02 H new ATOM 0 HA LEU A 75 -4.926 9.981 5.685 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -3.745 10.695 3.567 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -5.258 11.376 3.002 1.00 0.55 H new ATOM 0 HG LEU A 75 -5.287 12.609 5.345 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -3.006 13.132 6.181 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -3.351 11.389 6.293 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -2.314 12.009 4.986 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -3.979 14.489 4.346 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -3.306 13.370 3.137 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -5.048 13.737 3.138 1.00 0.42 H new ATOM 1195 N ASN A 76 -7.799 10.295 4.123 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.222 10.686 4.282 1.00 0.02 C ATOM 1197 C ASN A 76 -10.028 9.713 3.420 1.00 0.02 C ATOM 1198 O ASN A 76 -9.487 8.749 2.915 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.429 12.125 3.798 1.00 0.02 C ATOM 1200 CG ASN A 76 -8.640 13.083 4.694 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -7.621 13.609 4.293 1.00 0.01 O ATOM 1202 ND2 ASN A 76 -9.070 13.332 5.900 1.00 0.02 N ATOM 0 H ASN A 76 -7.603 9.768 3.272 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.536 10.644 5.325 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -9.100 12.223 2.764 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -10.489 12.379 3.820 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -8.551 13.968 6.505 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -9.925 12.891 6.238 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.307 9.926 3.250 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.116 8.974 2.424 1.00 0.01 C ATOM 1211 C ASP A 77 -12.293 9.509 0.999 1.00 0.01 C ATOM 1212 O ASP A 77 -13.279 9.223 0.350 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.497 8.805 3.063 1.00 0.01 C ATOM 1214 CG ASP A 77 -14.078 10.182 3.392 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -14.304 10.945 2.467 1.00 0.01 O ATOM 1216 OD2 ASP A 77 -14.287 10.449 4.565 1.00 0.02 O ATOM 0 H ASP A 77 -11.826 10.711 3.643 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.594 8.018 2.381 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.161 8.271 2.383 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -13.419 8.205 3.970 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.368 10.296 0.502 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.525 10.852 -0.882 1.00 0.01 C ATOM 1223 C ARG A 78 -10.759 10.006 -1.905 1.00 0.02 C ATOM 1224 O ARG A 78 -9.556 9.848 -1.824 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.006 12.292 -0.907 1.00 0.43 C ATOM 1226 CG ARG A 78 -11.239 12.895 -2.293 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.036 14.411 -2.230 1.00 1.00 C ATOM 1228 NE ARG A 78 -11.986 14.999 -1.243 1.00 1.30 N ATOM 1229 CZ ARG A 78 -11.799 16.212 -0.802 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -10.778 16.908 -1.221 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -12.632 16.729 0.059 1.00 3.20 N ATOM 0 H ARG A 78 -10.517 10.576 0.990 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.581 10.832 -1.150 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -11.516 12.887 -0.150 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -9.943 12.311 -0.665 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -10.550 12.455 -3.014 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -12.248 12.666 -2.636 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -10.009 14.640 -1.943 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -11.198 14.852 -3.214 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.782 14.453 -0.913 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -10.126 16.503 -1.893 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -10.632 17.857 -0.876 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -13.430 16.184 0.387 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -12.486 17.678 0.404 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.450 9.489 -2.888 1.00 0.01 N ATOM 1246 CA LEU A 79 -10.790 8.678 -3.960 1.00 0.01 C ATOM 1247 C LEU A 79 -11.494 9.005 -5.282 1.00 0.01 C ATOM 1248 O LEU A 79 -12.697 8.882 -5.390 1.00 0.02 O ATOM 1249 CB LEU A 79 -10.935 7.184 -3.645 1.00 1.04 C ATOM 1250 CG LEU A 79 -9.985 6.787 -2.503 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.243 5.324 -2.125 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.512 6.965 -2.935 1.00 2.61 C ATOM 0 H LEU A 79 -12.459 9.595 -2.996 1.00 0.01 H new ATOM 0 HA LEU A 79 -9.727 8.912 -4.023 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -11.965 6.962 -3.365 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -10.713 6.594 -4.534 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.170 7.431 -1.643 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.573 5.034 -1.315 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.277 5.209 -1.799 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.063 4.687 -2.991 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -7.855 6.679 -2.114 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.308 6.334 -3.800 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.333 8.008 -3.197 1.00 2.61 H new ATOM 1264 N GLY A 80 -10.766 9.477 -6.269 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.406 9.878 -7.570 1.00 0.02 C ATOM 1266 C GLY A 80 -11.059 8.927 -8.723 1.00 0.02 C ATOM 1267 O GLY A 80 -11.729 8.926 -9.737 1.00 0.01 O ATOM 0 H GLY A 80 -9.754 9.603 -6.231 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.488 9.908 -7.443 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.088 10.888 -7.830 1.00 0.02 H new ATOM 1271 N SER A 81 -10.034 8.120 -8.614 1.00 0.01 N ATOM 1272 CA SER A 81 -9.716 7.206 -9.763 1.00 0.01 C ATOM 1273 C SER A 81 -8.925 5.989 -9.280 1.00 0.02 C ATOM 1274 O SER A 81 -8.269 6.016 -8.258 1.00 0.01 O ATOM 1275 CB SER A 81 -8.902 7.973 -10.809 1.00 0.01 C ATOM 1276 OG SER A 81 -7.924 8.768 -10.154 1.00 0.01 O ATOM 0 H SER A 81 -9.416 8.051 -7.805 1.00 0.01 H new ATOM 0 HA SER A 81 -10.649 6.856 -10.206 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.420 7.276 -11.494 1.00 0.01 H new ATOM 0 HB3 SER A 81 -9.560 8.604 -11.407 1.00 0.01 H new ATOM 0 HG SER A 81 -8.313 9.636 -9.917 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.985 4.908 -10.027 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.236 3.674 -9.626 1.00 0.01 C ATOM 1284 C CYS A 82 -7.702 2.944 -10.865 1.00 0.01 C ATOM 1285 O CYS A 82 -8.320 2.937 -11.911 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.164 2.740 -8.848 1.00 0.01 C ATOM 1287 SG CYS A 82 -8.222 1.317 -8.245 1.00 0.02 S ATOM 0 H CYS A 82 -9.518 4.829 -10.893 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.395 3.966 -8.998 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.614 3.273 -8.010 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.980 2.405 -9.488 1.00 0.01 H new ATOM 0 HG CYS A 82 -6.977 1.655 -8.089 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.559 2.312 -10.742 1.00 0.01 N ATOM 1294 CA ARG A 83 -5.965 1.562 -11.898 1.00 0.01 C ATOM 1295 C ARG A 83 -5.391 0.232 -11.403 1.00 0.01 C ATOM 1296 O ARG A 83 -4.849 0.139 -10.320 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.811 2.365 -12.501 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.347 3.649 -13.137 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.173 4.498 -13.630 1.00 0.01 C ATOM 1300 NE ARG A 83 -3.284 3.668 -14.489 1.00 0.01 N ATOM 1301 CZ ARG A 83 -2.395 4.241 -15.255 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -2.287 5.542 -15.271 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -1.615 3.511 -16.007 1.00 0.01 N ATOM 0 H ARG A 83 -6.007 2.283 -9.885 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.745 1.396 -12.642 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.083 2.609 -11.728 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.292 1.767 -13.250 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -6.010 3.408 -13.968 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -5.936 4.209 -12.411 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.542 5.356 -14.192 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.613 4.890 -12.781 1.00 0.01 H new ATOM 0 HE ARG A 83 -3.369 2.652 -14.479 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.897 6.112 -14.685 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -1.592 5.989 -15.870 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -1.701 2.495 -15.995 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -0.920 3.957 -16.606 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.507 -0.803 -12.193 1.00 0.01 N ATOM 1318 CA ALA A 84 -4.969 -2.129 -11.775 1.00 0.01 C ATOM 1319 C ALA A 84 -3.452 -2.169 -11.999 1.00 0.01 C ATOM 1320 O ALA A 84 -2.954 -1.823 -13.051 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.628 -3.229 -12.610 1.00 0.43 C ATOM 0 H ALA A 84 -5.952 -0.786 -13.111 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.184 -2.286 -10.718 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.237 -4.200 -12.307 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.707 -3.208 -12.454 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.411 -3.064 -13.665 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.724 -2.616 -11.010 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.238 -2.717 -11.135 1.00 0.01 C ATOM 1329 C VAL A 85 -0.878 -4.113 -11.650 1.00 0.01 C ATOM 1330 O VAL A 85 -1.273 -5.108 -11.075 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.589 -2.492 -9.770 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.926 -2.347 -9.940 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.152 -1.215 -9.146 1.00 1.12 C ATOM 0 H VAL A 85 -3.099 -2.919 -10.111 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.875 -1.960 -11.830 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.802 -3.342 -9.122 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.388 -2.187 -8.966 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.330 -3.255 -10.388 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.140 -1.496 -10.587 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.691 -1.052 -8.172 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -0.937 -0.367 -9.796 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.231 -1.314 -9.025 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.134 -4.210 -12.722 1.00 0.01 N ATOM 1344 CA HIS A 86 0.243 -5.556 -13.253 1.00 0.01 C ATOM 1345 C HIS A 86 1.608 -5.955 -12.691 1.00 0.01 C ATOM 1346 O HIS A 86 2.550 -5.188 -12.713 1.00 0.00 O ATOM 1347 CB HIS A 86 0.329 -5.492 -14.779 1.00 0.21 C ATOM 1348 CG HIS A 86 -1.055 -5.381 -15.353 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -1.893 -4.317 -15.061 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -1.763 -6.195 -16.203 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -3.047 -4.516 -15.726 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -3.021 -5.646 -16.437 1.00 1.71 N ATOM 0 H HIS A 86 0.228 -3.418 -13.252 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.507 -6.289 -12.957 1.00 0.01 H new ATOM 0 HB2 HIS A 86 0.931 -4.636 -15.085 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.824 -6.384 -15.164 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -1.399 -7.120 -16.626 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -3.891 -3.843 -15.689 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -3.763 -6.025 -17.025 1.00 1.71 H new ATOM 1360 N LEU A 87 1.721 -7.156 -12.185 1.00 0.01 N ATOM 1361 CA LEU A 87 3.021 -7.623 -11.613 1.00 0.01 C ATOM 1362 C LEU A 87 3.761 -8.434 -12.677 1.00 0.01 C ATOM 1363 O LEU A 87 3.167 -9.213 -13.394 1.00 0.01 O ATOM 1364 CB LEU A 87 2.737 -8.514 -10.393 1.00 0.67 C ATOM 1365 CG LEU A 87 1.545 -7.958 -9.608 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.352 -8.777 -8.329 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.807 -6.494 -9.241 1.00 1.34 C ATOM 0 H LEU A 87 0.964 -7.838 -12.143 1.00 0.01 H new ATOM 0 HA LEU A 87 3.630 -6.771 -11.309 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.527 -9.533 -10.717 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.617 -8.559 -9.752 1.00 0.67 H new ATOM 0 HG LEU A 87 0.647 -8.021 -10.222 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.504 -8.383 -7.769 1.00 1.63 H new ATOM 0 HD12 LEU A 87 1.163 -9.818 -8.589 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.252 -8.714 -7.717 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.957 -6.101 -8.683 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.706 -6.428 -8.628 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.945 -5.910 -10.151 1.00 1.34 H new ATOM 1379 N SER A 88 5.061 -8.272 -12.771 1.00 0.01 N ATOM 1380 CA SER A 88 5.868 -9.041 -13.766 1.00 0.01 C ATOM 1381 C SER A 88 6.776 -10.028 -13.028 1.00 0.01 C ATOM 1382 O SER A 88 7.540 -9.625 -12.172 1.00 0.01 O ATOM 1383 CB SER A 88 6.739 -8.082 -14.578 1.00 0.81 C ATOM 1384 OG SER A 88 7.530 -7.299 -13.694 1.00 1.08 O ATOM 0 H SER A 88 5.601 -7.630 -12.191 1.00 0.01 H new ATOM 0 HA SER A 88 5.194 -9.579 -14.433 1.00 0.01 H new ATOM 0 HB2 SER A 88 7.381 -8.643 -15.258 1.00 0.81 H new ATOM 0 HB3 SER A 88 6.112 -7.435 -15.192 1.00 0.81 H new ATOM 0 HG SER A 88 8.219 -6.824 -14.205 1.00 1.08 H new ATOM 1390 N SER A 89 6.765 -11.294 -13.366 1.00 0.01 N ATOM 1391 CA SER A 89 7.699 -12.256 -12.694 1.00 0.01 C ATOM 1392 C SER A 89 8.822 -12.541 -13.691 1.00 0.01 C ATOM 1393 O SER A 89 9.061 -11.739 -14.571 1.00 0.01 O ATOM 1394 CB SER A 89 6.956 -13.551 -12.359 1.00 0.43 C ATOM 1395 OG SER A 89 7.772 -14.354 -11.515 1.00 1.26 O ATOM 0 H SER A 89 6.155 -11.703 -14.073 1.00 0.01 H new ATOM 0 HA SER A 89 8.093 -11.844 -11.765 1.00 0.01 H new ATOM 0 HB2 SER A 89 6.012 -13.325 -11.864 1.00 0.43 H new ATOM 0 HB3 SER A 89 6.714 -14.093 -13.274 1.00 0.43 H new ATOM 0 HG SER A 89 7.299 -15.184 -11.296 1.00 1.26 H new ATOM 1401 N GLY A 90 9.491 -13.669 -13.617 1.00 0.01 N ATOM 1402 CA GLY A 90 10.560 -13.965 -14.627 1.00 0.00 C ATOM 1403 C GLY A 90 11.813 -14.585 -14.001 1.00 0.00 C ATOM 1404 O GLY A 90 12.270 -15.623 -14.437 1.00 0.01 O ATOM 0 H GLY A 90 9.346 -14.390 -12.910 1.00 0.01 H new ATOM 0 HA2 GLY A 90 10.163 -14.644 -15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.834 -13.043 -15.140 1.00 0.00 H new ATOM 1408 N GLY A 91 12.384 -13.985 -12.986 1.00 0.00 N ATOM 1409 CA GLY A 91 13.601 -14.604 -12.388 1.00 0.00 C ATOM 1410 C GLY A 91 14.159 -13.776 -11.226 1.00 0.00 C ATOM 1411 O GLY A 91 13.659 -13.852 -10.122 1.00 0.01 O ATOM 0 H GLY A 91 12.069 -13.115 -12.556 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.361 -15.607 -12.035 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.367 -14.712 -13.156 1.00 0.00 H new ATOM 1415 N GLN A 92 15.203 -13.007 -11.446 1.00 1.80 N ATOM 1416 CA GLN A 92 15.806 -12.197 -10.329 1.00 2.31 C ATOM 1417 C GLN A 92 15.804 -10.704 -10.677 1.00 1.91 C ATOM 1418 O GLN A 92 16.391 -10.268 -11.648 1.00 2.31 O ATOM 1419 CB GLN A 92 17.239 -12.681 -10.093 1.00 2.11 C ATOM 1420 CG GLN A 92 17.754 -12.125 -8.763 1.00 2.86 C ATOM 1421 CD GLN A 92 19.264 -12.346 -8.669 1.00 3.70 C ATOM 1422 OE1 GLN A 92 19.751 -12.885 -7.693 1.00 3.99 O ATOM 1423 NE2 GLN A 92 20.032 -11.953 -9.649 1.00 4.43 N ATOM 0 H GLN A 92 15.665 -12.904 -12.350 1.00 1.80 H new ATOM 0 HA GLN A 92 15.213 -12.330 -9.424 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.268 -13.771 -10.079 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.883 -12.355 -10.909 1.00 2.11 H new ATOM 0 HG2 GLN A 92 17.526 -11.062 -8.688 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.251 -12.618 -7.931 1.00 2.86 H new ATOM 0 HE21 GLN A 92 19.624 -11.501 -10.467 1.00 4.43 H new ATOM 0 HE22 GLN A 92 21.040 -12.098 -9.596 1.00 4.43 H new ATOM 1432 N ALA A 93 15.132 -9.926 -9.867 1.00 0.01 N ATOM 1433 CA ALA A 93 15.074 -8.458 -10.126 1.00 0.01 C ATOM 1434 C ALA A 93 16.374 -7.804 -9.640 1.00 0.01 C ATOM 1435 O ALA A 93 16.809 -8.017 -8.525 1.00 0.01 O ATOM 1436 CB ALA A 93 13.888 -7.849 -9.375 1.00 2.99 C ATOM 0 H ALA A 93 14.624 -10.243 -9.042 1.00 0.01 H new ATOM 0 HA ALA A 93 14.953 -8.284 -11.195 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.848 -6.777 -9.566 1.00 2.99 H new ATOM 0 HB2 ALA A 93 12.963 -8.313 -9.718 1.00 2.99 H new ATOM 0 HB3 ALA A 93 14.007 -8.023 -8.305 1.00 2.99 H new ATOM 1442 N LYS A 94 16.999 -7.010 -10.476 1.00 0.00 N ATOM 1443 CA LYS A 94 18.280 -6.331 -10.090 1.00 0.01 C ATOM 1444 C LYS A 94 18.171 -4.836 -10.411 1.00 0.01 C ATOM 1445 O LYS A 94 17.581 -4.455 -11.404 1.00 0.01 O ATOM 1446 CB LYS A 94 19.416 -6.959 -10.899 1.00 2.49 C ATOM 1447 CG LYS A 94 20.756 -6.371 -10.450 1.00 3.43 C ATOM 1448 CD LYS A 94 21.901 -7.255 -10.954 1.00 4.11 C ATOM 1449 CE LYS A 94 21.930 -7.248 -12.486 1.00 5.23 C ATOM 1450 NZ LYS A 94 20.890 -8.180 -13.007 1.00 6.36 N ATOM 0 H LYS A 94 16.674 -6.800 -11.420 1.00 0.00 H new ATOM 0 HA LYS A 94 18.475 -6.451 -9.024 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.418 -8.040 -10.762 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.264 -6.773 -11.962 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.868 -5.358 -10.837 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.788 -6.302 -9.363 1.00 3.43 H new ATOM 0 HD2 LYS A 94 22.851 -6.893 -10.562 1.00 4.11 H new ATOM 0 HD3 LYS A 94 21.773 -8.274 -10.589 1.00 4.11 H new ATOM 0 HE2 LYS A 94 21.750 -6.240 -12.859 1.00 5.23 H new ATOM 0 HE3 LYS A 94 22.915 -7.549 -12.843 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 21.289 -8.746 -13.783 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 20.576 -8.812 -12.243 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 20.079 -7.633 -13.359 1.00 6.36 H new ATOM 1464 N ILE A 95 18.720 -3.982 -9.571 1.00 0.00 N ATOM 1465 CA ILE A 95 18.628 -2.502 -9.823 1.00 0.01 C ATOM 1466 C ILE A 95 20.014 -1.859 -9.733 1.00 0.01 C ATOM 1467 O ILE A 95 20.844 -2.239 -8.928 1.00 0.01 O ATOM 1468 CB ILE A 95 17.702 -1.875 -8.769 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.767 -0.347 -8.851 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.136 -2.320 -7.373 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.622 0.259 -8.037 1.00 1.09 C ATOM 0 H ILE A 95 19.226 -4.245 -8.725 1.00 0.00 H new ATOM 0 HA ILE A 95 18.229 -2.331 -10.823 1.00 0.01 H new ATOM 0 HB ILE A 95 16.680 -2.203 -8.960 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.725 0.007 -8.470 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.698 -0.025 -9.890 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.478 -1.874 -6.628 1.00 0.36 H new ATOM 0 HG22 ILE A 95 18.079 -3.406 -7.303 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.161 -1.998 -7.191 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.669 1.346 -8.096 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.669 -0.085 -8.438 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.711 -0.052 -6.996 1.00 1.09 H new ATOM 1483 N GLN A 96 20.244 -0.842 -10.536 1.00 0.01 N ATOM 1484 CA GLN A 96 21.539 -0.096 -10.494 1.00 0.01 C ATOM 1485 C GLN A 96 21.214 1.372 -10.191 1.00 0.01 C ATOM 1486 O GLN A 96 20.326 1.941 -10.796 1.00 0.00 O ATOM 1487 CB GLN A 96 22.267 -0.217 -11.837 1.00 0.53 C ATOM 1488 CG GLN A 96 21.318 0.151 -12.973 1.00 0.82 C ATOM 1489 CD GLN A 96 22.006 -0.106 -14.315 1.00 1.25 C ATOM 1490 OE1 GLN A 96 21.567 -1.065 -15.085 1.00 1.75 O flip ATOM 1491 NE2 GLN A 96 22.951 0.571 -14.665 1.00 2.05 N flip ATOM 0 H GLN A 96 19.578 -0.496 -11.226 1.00 0.01 H new ATOM 0 HA GLN A 96 22.194 -0.508 -9.726 1.00 0.01 H new ATOM 0 HB2 GLN A 96 23.137 0.440 -11.850 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.634 -1.235 -11.972 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.403 -0.438 -12.902 1.00 0.82 H new ATOM 0 HG3 GLN A 96 21.029 1.199 -12.895 1.00 0.82 H new ATOM 0 HE21 GLN A 96 23.293 1.320 -14.063 1.00 2.05 H new ATOM 0 HE22 GLN A 96 23.403 0.391 -15.561 1.00 2.05 H new ATOM 1500 N VAL A 97 21.908 2.001 -9.272 1.00 0.01 N ATOM 1501 CA VAL A 97 21.613 3.439 -8.945 1.00 0.01 C ATOM 1502 C VAL A 97 22.880 4.281 -9.122 1.00 0.01 C ATOM 1503 O VAL A 97 23.980 3.821 -8.889 1.00 0.01 O ATOM 1504 CB VAL A 97 21.130 3.540 -7.495 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.966 2.573 -7.275 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.274 3.177 -6.544 1.00 1.03 C ATOM 0 H VAL A 97 22.666 1.583 -8.733 1.00 0.01 H new ATOM 0 HA VAL A 97 20.839 3.811 -9.616 1.00 0.01 H new ATOM 0 HB VAL A 97 20.801 4.560 -7.297 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.623 2.645 -6.243 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.148 2.829 -7.948 1.00 1.10 H new ATOM 0 HG13 VAL A 97 20.296 1.554 -7.477 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.927 3.250 -5.513 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.604 2.158 -6.745 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.106 3.865 -6.696 1.00 1.03 H new ATOM 1516 N PHE A 98 22.722 5.510 -9.565 1.00 0.01 N ATOM 1517 CA PHE A 98 23.908 6.401 -9.804 1.00 0.01 C ATOM 1518 C PHE A 98 23.834 7.661 -8.932 1.00 0.01 C ATOM 1519 O PHE A 98 22.782 8.218 -8.692 1.00 0.01 O ATOM 1520 CB PHE A 98 23.935 6.806 -11.277 1.00 0.25 C ATOM 1521 CG PHE A 98 24.185 5.586 -12.129 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.128 4.724 -12.439 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.473 5.317 -12.608 1.00 0.58 C ATOM 1524 CE1 PHE A 98 23.356 3.592 -13.230 1.00 0.56 C ATOM 1525 CE2 PHE A 98 25.704 4.186 -13.399 1.00 0.73 C ATOM 1526 CZ PHE A 98 24.645 3.323 -13.709 1.00 0.69 C ATOM 0 H PHE A 98 21.819 5.936 -9.772 1.00 0.01 H new ATOM 0 HA PHE A 98 24.815 5.855 -9.542 1.00 0.01 H new ATOM 0 HB2 PHE A 98 22.988 7.269 -11.555 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.715 7.548 -11.447 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.135 4.932 -12.068 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.289 5.983 -12.367 1.00 0.58 H new ATOM 0 HE1 PHE A 98 22.540 2.927 -13.471 1.00 0.56 H new ATOM 0 HE2 PHE A 98 26.697 3.979 -13.770 1.00 0.73 H new ATOM 0 HZ PHE A 98 24.822 2.449 -14.318 1.00 0.69 H new ATOM 1536 N GLU A 99 24.967 8.078 -8.434 1.00 0.01 N ATOM 1537 CA GLU A 99 25.017 9.272 -7.541 1.00 0.01 C ATOM 1538 C GLU A 99 24.665 10.569 -8.288 1.00 0.01 C ATOM 1539 O GLU A 99 24.138 11.490 -7.696 1.00 0.01 O ATOM 1540 CB GLU A 99 26.421 9.404 -6.947 1.00 0.01 C ATOM 1541 CG GLU A 99 26.431 10.521 -5.901 1.00 0.01 C ATOM 1542 CD GLU A 99 27.760 10.500 -5.142 1.00 0.01 C ATOM 1543 OE1 GLU A 99 28.575 9.639 -5.434 1.00 0.02 O ATOM 1544 OE2 GLU A 99 27.941 11.345 -4.281 1.00 0.01 O ATOM 0 H GLU A 99 25.870 7.637 -8.610 1.00 0.01 H new ATOM 0 HA GLU A 99 24.277 9.126 -6.754 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.724 8.462 -6.491 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.141 9.623 -7.735 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.292 11.488 -6.385 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.601 10.390 -5.206 1.00 0.01 H new ATOM 1551 N LYS A 100 24.956 10.664 -9.570 1.00 0.01 N ATOM 1552 CA LYS A 100 24.636 11.926 -10.328 1.00 0.01 C ATOM 1553 C LYS A 100 23.605 11.644 -11.423 1.00 0.01 C ATOM 1554 O LYS A 100 23.324 10.509 -11.757 1.00 0.01 O ATOM 1555 CB LYS A 100 25.910 12.486 -10.965 1.00 0.94 C ATOM 1556 CG LYS A 100 26.963 12.731 -9.883 1.00 1.63 C ATOM 1557 CD LYS A 100 28.332 12.934 -10.537 1.00 2.19 C ATOM 1558 CE LYS A 100 29.389 13.149 -9.454 1.00 2.84 C ATOM 1559 NZ LYS A 100 28.921 14.198 -8.505 1.00 3.18 N ATOM 0 H LYS A 100 25.398 9.928 -10.121 1.00 0.01 H new ATOM 0 HA LYS A 100 24.224 12.655 -9.630 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.294 11.787 -11.708 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.688 13.417 -11.487 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.696 13.608 -9.294 1.00 1.63 H new ATOM 0 HG3 LYS A 100 26.998 11.885 -9.197 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.589 12.066 -11.143 1.00 2.19 H new ATOM 0 HD3 LYS A 100 28.303 13.793 -11.207 1.00 2.19 H new ATOM 0 HE2 LYS A 100 29.573 12.217 -8.920 1.00 2.84 H new ATOM 0 HE3 LYS A 100 30.334 13.449 -9.907 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 29.733 14.575 -7.976 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 28.466 14.968 -9.036 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 28.236 13.784 -7.840 1.00 3.18 H new ATOM 1573 N GLY A 101 23.051 12.686 -11.983 1.00 0.01 N ATOM 1574 CA GLY A 101 22.023 12.529 -13.054 1.00 0.01 C ATOM 1575 C GLY A 101 22.635 11.922 -14.318 1.00 0.00 C ATOM 1576 O GLY A 101 23.835 11.906 -14.507 1.00 0.01 O ATOM 0 H GLY A 101 23.270 13.652 -11.741 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.214 11.892 -12.696 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.585 13.499 -13.288 1.00 0.01 H new ATOM 1580 N ASP A 102 21.791 11.439 -15.192 1.00 0.01 N ATOM 1581 CA ASP A 102 22.261 10.838 -16.472 1.00 0.00 C ATOM 1582 C ASP A 102 23.240 9.694 -16.210 1.00 0.00 C ATOM 1583 O ASP A 102 24.198 9.498 -16.931 1.00 0.01 O ATOM 1584 CB ASP A 102 22.944 11.912 -17.319 1.00 0.01 C ATOM 1585 CG ASP A 102 23.171 11.382 -18.735 1.00 0.01 C ATOM 1586 OD1 ASP A 102 22.205 10.965 -19.351 1.00 0.01 O ATOM 1587 OD2 ASP A 102 24.306 11.402 -19.180 1.00 0.01 O ATOM 0 H ASP A 102 20.778 11.437 -15.069 1.00 0.01 H new ATOM 0 HA ASP A 102 21.398 10.439 -17.005 1.00 0.00 H new ATOM 0 HB2 ASP A 102 22.328 12.811 -17.351 1.00 0.01 H new ATOM 0 HB3 ASP A 102 23.896 12.194 -16.869 1.00 0.01 H new ATOM 1592 N PHE A 103 22.975 8.916 -15.197 1.00 0.01 N ATOM 1593 CA PHE A 103 23.846 7.749 -14.885 1.00 0.01 C ATOM 1594 C PHE A 103 25.311 8.168 -14.783 1.00 0.00 C ATOM 1595 O PHE A 103 26.164 7.619 -15.453 1.00 0.01 O ATOM 1596 CB PHE A 103 23.694 6.702 -15.991 1.00 0.01 C ATOM 1597 CG PHE A 103 22.226 6.525 -16.317 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.347 6.056 -15.334 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.745 6.829 -17.599 1.00 0.01 C ATOM 1600 CE1 PHE A 103 19.988 5.890 -15.633 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.387 6.663 -17.895 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.510 6.193 -16.912 1.00 0.01 C ATOM 0 H PHE A 103 22.184 9.041 -14.566 1.00 0.01 H new ATOM 0 HA PHE A 103 23.541 7.334 -13.924 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.240 7.015 -16.881 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.124 5.753 -15.670 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.716 5.822 -14.346 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.423 7.191 -18.358 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.309 5.528 -14.875 1.00 0.01 H new ATOM 0 HE2 PHE A 103 20.017 6.898 -18.882 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.462 6.064 -17.141 1.00 0.01 H new ATOM 1612 N ASN A 104 25.616 9.117 -13.931 1.00 0.00 N ATOM 1613 CA ASN A 104 27.039 9.559 -13.755 1.00 0.01 C ATOM 1614 C ASN A 104 27.368 9.532 -12.261 1.00 0.01 C ATOM 1615 O ASN A 104 26.488 9.443 -11.427 1.00 0.01 O ATOM 1616 CB ASN A 104 27.213 10.984 -14.293 1.00 1.68 C ATOM 1617 CG ASN A 104 27.333 10.947 -15.818 1.00 2.31 C ATOM 1618 OD1 ASN A 104 26.755 10.096 -16.465 1.00 3.15 O ATOM 1619 ND2 ASN A 104 28.069 11.838 -16.424 1.00 2.38 N ATOM 0 H ASN A 104 24.939 9.607 -13.347 1.00 0.00 H new ATOM 0 HA ASN A 104 27.707 8.894 -14.303 1.00 0.01 H new ATOM 0 HB2 ASN A 104 26.363 11.600 -14.000 1.00 1.68 H new ATOM 0 HB3 ASN A 104 28.102 11.441 -13.859 1.00 1.68 H new ATOM 0 HD21 ASN A 104 28.159 11.820 -17.440 1.00 2.38 H new ATOM 0 HD22 ASN A 104 28.554 12.553 -15.882 1.00 2.38 H new ATOM 1626 N GLY A 105 28.626 9.598 -11.905 1.00 0.01 N ATOM 1627 CA GLY A 105 28.995 9.568 -10.457 1.00 0.01 C ATOM 1628 C GLY A 105 29.264 8.126 -10.034 1.00 0.01 C ATOM 1629 O GLY A 105 29.438 7.253 -10.861 1.00 0.01 O ATOM 0 H GLY A 105 29.411 9.671 -12.552 1.00 0.01 H new ATOM 0 HA2 GLY A 105 29.879 10.181 -10.283 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.190 9.991 -9.856 1.00 0.01 H new ATOM 1633 N GLN A 106 29.283 7.856 -8.758 1.00 0.01 N ATOM 1634 CA GLN A 106 29.523 6.460 -8.302 1.00 0.01 C ATOM 1635 C GLN A 106 28.252 5.645 -8.541 1.00 0.01 C ATOM 1636 O GLN A 106 27.148 6.134 -8.404 1.00 0.01 O ATOM 1637 CB GLN A 106 29.863 6.464 -6.810 1.00 0.01 C ATOM 1638 CG GLN A 106 30.440 5.102 -6.414 1.00 0.01 C ATOM 1639 CD GLN A 106 31.851 4.958 -6.988 1.00 0.01 C ATOM 1640 OE1 GLN A 106 32.761 5.650 -6.576 1.00 0.01 O ATOM 1641 NE2 GLN A 106 32.073 4.081 -7.930 1.00 0.01 N ATOM 0 H GLN A 106 29.143 8.540 -8.014 1.00 0.01 H new ATOM 0 HA GLN A 106 30.354 6.021 -8.854 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.583 7.253 -6.592 1.00 0.01 H new ATOM 0 HB3 GLN A 106 28.970 6.677 -6.223 1.00 0.01 H new ATOM 0 HG2 GLN A 106 30.466 5.008 -5.328 1.00 0.01 H new ATOM 0 HG3 GLN A 106 29.801 4.302 -6.788 1.00 0.01 H new ATOM 0 HE21 GLN A 106 31.309 3.500 -8.276 1.00 0.01 H new ATOM 0 HE22 GLN A 106 33.010 3.977 -8.320 1.00 0.01 H new ATOM 1650 N MET A 107 28.413 4.400 -8.916 1.00 0.01 N ATOM 1651 CA MET A 107 27.232 3.521 -9.187 1.00 0.01 C ATOM 1652 C MET A 107 27.206 2.368 -8.185 1.00 0.01 C ATOM 1653 O MET A 107 28.227 1.817 -7.824 1.00 0.01 O ATOM 1654 CB MET A 107 27.339 2.946 -10.604 1.00 0.00 C ATOM 1655 CG MET A 107 26.151 2.014 -10.886 1.00 0.01 C ATOM 1656 SD MET A 107 26.508 0.364 -10.233 1.00 0.01 S ATOM 1657 CE MET A 107 27.312 -0.297 -11.714 1.00 0.01 C ATOM 0 H MET A 107 29.319 3.951 -9.047 1.00 0.01 H new ATOM 0 HA MET A 107 26.319 4.109 -9.092 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.357 3.756 -11.333 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.275 2.398 -10.713 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.247 2.411 -10.425 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.965 1.960 -11.959 1.00 0.01 H new ATOM 0 HE1 MET A 107 27.620 -1.327 -11.532 1.00 0.01 H new ATOM 0 HE2 MET A 107 26.613 -0.270 -12.550 1.00 0.01 H new ATOM 0 HE3 MET A 107 28.187 0.307 -11.953 1.00 0.01 H new ATOM 1667 N TYR A 108 26.031 1.989 -7.751 1.00 0.01 N ATOM 1668 CA TYR A 108 25.885 0.856 -6.786 1.00 0.00 C ATOM 1669 C TYR A 108 24.793 -0.083 -7.310 1.00 0.01 C ATOM 1670 O TYR A 108 23.764 0.349 -7.790 1.00 0.01 O ATOM 1671 CB TYR A 108 25.479 1.397 -5.415 1.00 0.54 C ATOM 1672 CG TYR A 108 26.664 2.077 -4.772 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.595 1.323 -4.048 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.834 3.461 -4.902 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.694 1.952 -3.453 1.00 1.76 C ATOM 1676 CE2 TYR A 108 27.933 4.090 -4.307 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.864 3.336 -3.582 1.00 1.82 C ATOM 1678 OH TYR A 108 29.947 3.956 -2.996 1.00 2.48 O ATOM 0 H TYR A 108 25.151 2.424 -8.029 1.00 0.01 H new ATOM 0 HA TYR A 108 26.830 0.321 -6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.654 2.102 -5.520 1.00 0.54 H new ATOM 0 HB3 TYR A 108 25.125 0.584 -4.781 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.465 0.255 -3.949 1.00 1.24 H new ATOM 0 HD2 TYR A 108 26.117 4.043 -5.462 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.412 1.370 -2.894 1.00 1.76 H new ATOM 0 HE2 TYR A 108 28.063 5.157 -4.407 1.00 1.51 H new ATOM 0 HH TYR A 108 29.914 4.917 -3.183 1.00 2.48 H new ATOM 1688 N GLU A 109 25.034 -1.367 -7.249 1.00 0.01 N ATOM 1689 CA GLU A 109 24.045 -2.371 -7.768 1.00 0.01 C ATOM 1690 C GLU A 109 23.581 -3.282 -6.631 1.00 0.01 C ATOM 1691 O GLU A 109 24.375 -3.765 -5.850 1.00 0.01 O ATOM 1692 CB GLU A 109 24.736 -3.198 -8.853 1.00 0.01 C ATOM 1693 CG GLU A 109 23.719 -4.137 -9.507 1.00 0.01 C ATOM 1694 CD GLU A 109 24.325 -4.742 -10.774 1.00 0.00 C ATOM 1695 OE1 GLU A 109 25.444 -5.225 -10.702 1.00 0.00 O ATOM 1696 OE2 GLU A 109 23.659 -4.714 -11.796 1.00 0.00 O ATOM 0 H GLU A 109 25.884 -1.772 -6.857 1.00 0.01 H new ATOM 0 HA GLU A 109 23.172 -1.864 -8.179 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.173 -2.539 -9.603 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.553 -3.775 -8.420 1.00 0.01 H new ATOM 0 HG2 GLU A 109 23.439 -4.928 -8.812 1.00 0.01 H new ATOM 0 HG3 GLU A 109 22.808 -3.590 -9.752 1.00 0.01 H new ATOM 1703 N THR A 110 22.291 -3.519 -6.525 1.00 0.01 N ATOM 1704 CA THR A 110 21.789 -4.397 -5.426 1.00 0.00 C ATOM 1705 C THR A 110 20.529 -5.155 -5.862 1.00 0.01 C ATOM 1706 O THR A 110 19.744 -4.698 -6.673 1.00 0.01 O ATOM 1707 CB THR A 110 21.461 -3.552 -4.193 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.859 -4.372 -3.201 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.499 -2.428 -4.583 1.00 1.69 C ATOM 0 H THR A 110 21.575 -3.145 -7.147 1.00 0.01 H new ATOM 0 HA THR A 110 22.570 -5.118 -5.187 1.00 0.00 H new ATOM 0 HB THR A 110 22.379 -3.120 -3.796 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.651 -3.831 -2.411 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.266 -1.827 -3.704 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.964 -1.798 -5.341 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.580 -2.858 -4.982 1.00 1.69 H new ATOM 1717 N THR A 111 20.356 -6.325 -5.306 1.00 0.00 N ATOM 1718 CA THR A 111 19.173 -7.185 -5.633 1.00 0.01 C ATOM 1719 C THR A 111 18.220 -7.250 -4.432 1.00 0.01 C ATOM 1720 O THR A 111 17.316 -8.062 -4.405 1.00 0.01 O ATOM 1721 CB THR A 111 19.657 -8.596 -5.969 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.510 -9.063 -4.932 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.424 -8.572 -7.291 1.00 0.01 C ATOM 0 H THR A 111 20.997 -6.732 -4.624 1.00 0.00 H new ATOM 0 HA THR A 111 18.644 -6.758 -6.485 1.00 0.01 H new ATOM 0 HB THR A 111 18.799 -9.262 -6.061 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.819 -9.968 -5.146 1.00 0.01 H new ATOM 0 HG21 THR A 111 20.769 -9.578 -7.530 1.00 0.01 H new ATOM 0 HG22 THR A 111 19.769 -8.215 -8.085 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.282 -7.906 -7.202 1.00 0.01 H new ATOM 1731 N GLU A 112 18.431 -6.430 -3.426 1.00 0.01 N ATOM 1732 CA GLU A 112 17.554 -6.475 -2.205 1.00 0.01 C ATOM 1733 C GLU A 112 16.867 -5.126 -1.949 1.00 0.01 C ATOM 1734 O GLU A 112 17.274 -4.097 -2.451 1.00 0.01 O ATOM 1735 CB GLU A 112 18.419 -6.825 -0.994 1.00 0.85 C ATOM 1736 CG GLU A 112 18.907 -8.270 -1.115 1.00 1.61 C ATOM 1737 CD GLU A 112 17.742 -9.227 -0.865 1.00 2.51 C ATOM 1738 OE1 GLU A 112 17.378 -9.396 0.288 1.00 3.07 O ATOM 1739 OE2 GLU A 112 17.231 -9.777 -1.828 1.00 3.21 O ATOM 0 H GLU A 112 19.173 -5.731 -3.397 1.00 0.01 H new ATOM 0 HA GLU A 112 16.780 -7.225 -2.367 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.270 -6.147 -0.934 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.845 -6.699 -0.076 1.00 0.85 H new ATOM 0 HG2 GLU A 112 19.325 -8.441 -2.107 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.705 -8.457 -0.396 1.00 1.61 H new ATOM 1746 N ASP A 113 15.838 -5.135 -1.138 1.00 0.01 N ATOM 1747 CA ASP A 113 15.118 -3.871 -0.795 1.00 0.01 C ATOM 1748 C ASP A 113 16.057 -2.995 0.034 1.00 0.00 C ATOM 1749 O ASP A 113 16.958 -3.488 0.684 1.00 0.01 O ATOM 1750 CB ASP A 113 13.878 -4.203 0.038 1.00 0.01 C ATOM 1751 CG ASP A 113 12.796 -4.788 -0.869 1.00 0.01 C ATOM 1752 OD1 ASP A 113 13.001 -4.797 -2.072 1.00 0.00 O ATOM 1753 OD2 ASP A 113 11.781 -5.216 -0.346 1.00 0.00 O ATOM 0 H ASP A 113 15.463 -5.974 -0.695 1.00 0.01 H new ATOM 0 HA ASP A 113 14.815 -3.352 -1.704 1.00 0.01 H new ATOM 0 HB2 ASP A 113 14.134 -4.915 0.823 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.507 -3.305 0.532 1.00 0.01 H new ATOM 1758 N CYS A 114 15.834 -1.699 0.046 1.00 0.01 N ATOM 1759 CA CYS A 114 16.694 -0.783 0.870 1.00 0.01 C ATOM 1760 C CYS A 114 15.789 0.053 1.805 1.00 0.01 C ATOM 1761 O CYS A 114 15.063 0.905 1.326 1.00 0.01 O ATOM 1762 CB CYS A 114 17.436 0.169 -0.064 1.00 0.01 C ATOM 1763 SG CYS A 114 18.650 1.118 0.886 1.00 0.01 S ATOM 0 H CYS A 114 15.093 -1.235 -0.480 1.00 0.01 H new ATOM 0 HA CYS A 114 17.402 -1.368 1.456 1.00 0.01 H new ATOM 0 HB2 CYS A 114 17.935 -0.393 -0.853 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.730 0.843 -0.550 1.00 0.01 H new ATOM 0 HG CYS A 114 19.552 1.597 0.082 1.00 0.01 H new ATOM 1769 N PRO A 115 15.829 -0.144 3.120 1.00 0.01 N ATOM 1770 CA PRO A 115 14.977 0.674 4.034 1.00 0.01 C ATOM 1771 C PRO A 115 15.546 2.086 4.225 1.00 0.01 C ATOM 1772 O PRO A 115 14.810 3.038 4.405 1.00 0.01 O ATOM 1773 CB PRO A 115 15.024 -0.137 5.338 1.00 0.01 C ATOM 1774 CG PRO A 115 16.241 -1.077 5.261 1.00 0.01 C ATOM 1775 CD PRO A 115 16.685 -1.171 3.788 1.00 0.01 C ATOM 0 HA PRO A 115 13.967 0.835 3.658 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.107 0.527 6.198 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.106 -0.710 5.465 1.00 0.01 H new ATOM 0 HG2 PRO A 115 17.054 -0.697 5.880 1.00 0.01 H new ATOM 0 HG3 PRO A 115 15.983 -2.064 5.644 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.746 -0.952 3.670 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.518 -2.167 3.377 1.00 0.01 H new ATOM 1783 N SER A 116 16.848 2.230 4.196 1.00 0.01 N ATOM 1784 CA SER A 116 17.469 3.578 4.375 1.00 0.02 C ATOM 1785 C SER A 116 18.653 3.700 3.417 1.00 0.01 C ATOM 1786 O SER A 116 19.689 3.086 3.593 1.00 0.00 O ATOM 1787 CB SER A 116 17.950 3.728 5.818 1.00 0.01 C ATOM 1788 OG SER A 116 18.873 4.807 5.894 1.00 0.01 O ATOM 0 H SER A 116 17.510 1.467 4.055 1.00 0.01 H new ATOM 0 HA SER A 116 16.740 4.360 4.162 1.00 0.02 H new ATOM 0 HB2 SER A 116 17.103 3.911 6.479 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.423 2.805 6.154 1.00 0.01 H new ATOM 0 HG SER A 116 18.615 5.407 6.624 1.00 0.01 H new ATOM 1794 N ILE A 117 18.481 4.471 2.380 1.00 0.01 N ATOM 1795 CA ILE A 117 19.555 4.630 1.362 1.00 0.01 C ATOM 1796 C ILE A 117 20.787 5.313 1.960 1.00 0.01 C ATOM 1797 O ILE A 117 21.902 4.973 1.625 1.00 0.00 O ATOM 1798 CB ILE A 117 19.006 5.452 0.190 1.00 0.57 C ATOM 1799 CG1 ILE A 117 18.029 4.580 -0.601 1.00 1.44 C ATOM 1800 CG2 ILE A 117 20.146 5.903 -0.730 1.00 0.93 C ATOM 1801 CD1 ILE A 117 17.257 5.444 -1.591 1.00 1.83 C ATOM 0 H ILE A 117 17.632 5.004 2.193 1.00 0.01 H new ATOM 0 HA ILE A 117 19.864 3.645 1.013 1.00 0.01 H new ATOM 0 HB ILE A 117 18.501 6.338 0.575 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.572 3.798 -1.132 1.00 1.44 H new ATOM 0 HG13 ILE A 117 17.338 4.083 0.079 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.738 6.485 -1.556 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.848 6.517 -0.166 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.664 5.028 -1.123 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.562 4.820 -2.153 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.701 6.210 -1.050 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.955 5.921 -2.279 1.00 1.83 H new ATOM 1813 N MET A 118 20.607 6.285 2.812 1.00 0.02 N ATOM 1814 CA MET A 118 21.799 6.980 3.376 1.00 0.01 C ATOM 1815 C MET A 118 22.587 6.022 4.267 1.00 0.01 C ATOM 1816 O MET A 118 23.798 6.035 4.278 1.00 0.02 O ATOM 1817 CB MET A 118 21.371 8.208 4.185 1.00 0.24 C ATOM 1818 CG MET A 118 22.610 8.916 4.735 1.00 0.63 C ATOM 1819 SD MET A 118 22.139 10.534 5.393 1.00 1.20 S ATOM 1820 CE MET A 118 23.706 10.908 6.217 1.00 1.34 C ATOM 0 H MET A 118 19.702 6.624 3.138 1.00 0.02 H new ATOM 0 HA MET A 118 22.432 7.308 2.552 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.799 8.890 3.555 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.718 7.907 5.004 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.069 8.313 5.518 1.00 0.63 H new ATOM 0 HG3 MET A 118 23.354 9.035 3.947 1.00 0.63 H new ATOM 0 HE1 MET A 118 23.639 11.883 6.700 1.00 1.34 H new ATOM 0 HE2 MET A 118 23.914 10.145 6.967 1.00 1.34 H new ATOM 0 HE3 MET A 118 24.510 10.922 5.481 1.00 1.34 H new ATOM 1830 N GLU A 119 21.931 5.187 5.012 1.00 0.01 N ATOM 1831 CA GLU A 119 22.686 4.251 5.885 1.00 0.02 C ATOM 1832 C GLU A 119 23.414 3.218 5.020 1.00 0.02 C ATOM 1833 O GLU A 119 24.506 2.789 5.333 1.00 0.01 O ATOM 1834 CB GLU A 119 21.713 3.535 6.824 1.00 0.30 C ATOM 1835 CG GLU A 119 21.212 4.515 7.886 1.00 0.99 C ATOM 1836 CD GLU A 119 20.249 3.796 8.832 1.00 1.69 C ATOM 1837 OE1 GLU A 119 20.427 2.607 9.037 1.00 2.11 O ATOM 1838 OE2 GLU A 119 19.348 4.447 9.336 1.00 2.07 O ATOM 0 H GLU A 119 20.915 5.110 5.057 1.00 0.01 H new ATOM 0 HA GLU A 119 23.415 4.810 6.472 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.872 3.136 6.257 1.00 0.30 H new ATOM 0 HB3 GLU A 119 22.207 2.688 7.300 1.00 0.30 H new ATOM 0 HG2 GLU A 119 22.054 4.921 8.447 1.00 0.99 H new ATOM 0 HG3 GLU A 119 20.710 5.357 7.410 1.00 0.99 H new ATOM 1845 N GLN A 120 22.788 2.774 3.966 1.00 0.00 N ATOM 1846 CA GLN A 120 23.411 1.720 3.113 1.00 0.01 C ATOM 1847 C GLN A 120 24.463 2.294 2.155 1.00 0.01 C ATOM 1848 O GLN A 120 25.527 1.729 1.992 1.00 0.01 O ATOM 1849 CB GLN A 120 22.315 1.030 2.295 1.00 0.52 C ATOM 1850 CG GLN A 120 22.866 -0.261 1.684 1.00 1.07 C ATOM 1851 CD GLN A 120 23.032 -1.317 2.781 1.00 1.08 C ATOM 1852 OE1 GLN A 120 22.544 -1.148 3.881 1.00 0.98 O ATOM 1853 NE2 GLN A 120 23.706 -2.406 2.526 1.00 2.08 N ATOM 0 H GLN A 120 21.871 3.095 3.657 1.00 0.00 H new ATOM 0 HA GLN A 120 23.914 1.012 3.772 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.459 0.807 2.931 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.962 1.695 1.507 1.00 0.52 H new ATOM 0 HG2 GLN A 120 22.190 -0.627 0.911 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.825 -0.068 1.203 1.00 1.07 H new ATOM 0 HE21 GLN A 120 24.116 -2.548 1.603 1.00 2.08 H new ATOM 0 HE22 GLN A 120 23.823 -3.115 3.250 1.00 2.08 H new ATOM 1862 N PHE A 121 24.146 3.367 1.467 1.00 0.02 N ATOM 1863 CA PHE A 121 25.100 3.930 0.450 1.00 0.01 C ATOM 1864 C PHE A 121 25.677 5.287 0.864 1.00 0.01 C ATOM 1865 O PHE A 121 26.472 5.863 0.149 1.00 0.01 O ATOM 1866 CB PHE A 121 24.359 4.066 -0.882 1.00 0.01 C ATOM 1867 CG PHE A 121 23.967 2.690 -1.369 1.00 0.01 C ATOM 1868 CD1 PHE A 121 24.955 1.796 -1.797 1.00 0.01 C ATOM 1869 CD2 PHE A 121 22.621 2.305 -1.385 1.00 0.01 C ATOM 1870 CE1 PHE A 121 24.598 0.517 -2.243 1.00 0.01 C ATOM 1871 CE2 PHE A 121 22.264 1.027 -1.830 1.00 0.01 C ATOM 1872 CZ PHE A 121 23.252 0.134 -2.259 1.00 0.01 C ATOM 0 H PHE A 121 23.269 3.878 1.564 1.00 0.02 H new ATOM 0 HA PHE A 121 25.945 3.246 0.363 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.473 4.688 -0.758 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.994 4.559 -1.618 1.00 0.01 H new ATOM 0 HD1 PHE A 121 25.993 2.092 -1.783 1.00 0.01 H new ATOM 0 HD2 PHE A 121 21.858 2.994 -1.054 1.00 0.01 H new ATOM 0 HE1 PHE A 121 25.360 -0.173 -2.574 1.00 0.01 H new ATOM 0 HE2 PHE A 121 21.226 0.730 -1.842 1.00 0.01 H new ATOM 0 HZ PHE A 121 22.976 -0.852 -2.603 1.00 0.01 H new ATOM 1882 N HIS A 122 25.299 5.810 1.999 1.00 0.01 N ATOM 1883 CA HIS A 122 25.841 7.132 2.430 1.00 0.01 C ATOM 1884 C HIS A 122 25.442 8.213 1.418 1.00 0.01 C ATOM 1885 O HIS A 122 26.185 9.141 1.166 1.00 0.02 O ATOM 1886 CB HIS A 122 27.369 7.042 2.539 1.00 0.01 C ATOM 1887 CG HIS A 122 27.754 5.697 3.089 1.00 0.01 C ATOM 1888 ND1 HIS A 122 28.052 4.621 2.269 1.00 0.01 N ATOM 1889 CD2 HIS A 122 27.891 5.237 4.375 1.00 0.01 C ATOM 1890 CE1 HIS A 122 28.352 3.577 3.064 1.00 0.00 C ATOM 1891 NE2 HIS A 122 28.269 3.898 4.358 1.00 0.01 N ATOM 0 H HIS A 122 24.639 5.380 2.647 1.00 0.01 H new ATOM 0 HA HIS A 122 25.428 7.398 3.403 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.823 7.190 1.559 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.745 7.833 3.188 1.00 0.01 H new ATOM 0 HD2 HIS A 122 27.730 5.826 5.266 1.00 0.01 H new ATOM 0 HE1 HIS A 122 28.627 2.598 2.700 1.00 0.00 H new ATOM 0 HE2 HIS A 122 28.445 3.293 5.160 1.00 0.01 H new ATOM 1899 N LEU A 123 24.266 8.097 0.837 1.00 0.01 N ATOM 1900 CA LEU A 123 23.799 9.117 -0.167 1.00 0.01 C ATOM 1901 C LEU A 123 22.583 9.861 0.391 1.00 0.02 C ATOM 1902 O LEU A 123 21.689 9.268 0.962 1.00 0.01 O ATOM 1903 CB LEU A 123 23.402 8.414 -1.469 1.00 0.01 C ATOM 1904 CG LEU A 123 24.523 7.476 -1.919 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.060 6.689 -3.148 1.00 0.01 C ATOM 1906 CD2 LEU A 123 25.777 8.291 -2.269 1.00 0.01 C ATOM 0 H LEU A 123 23.608 7.338 1.015 1.00 0.01 H new ATOM 0 HA LEU A 123 24.606 9.823 -0.364 1.00 0.01 H new ATOM 0 HB2 LEU A 123 22.481 7.849 -1.321 1.00 0.01 H new ATOM 0 HB3 LEU A 123 23.202 9.153 -2.245 1.00 0.01 H new ATOM 0 HG LEU A 123 24.763 6.785 -1.111 1.00 0.01 H new ATOM 0 HD11 LEU A 123 24.856 6.019 -3.472 1.00 0.01 H new ATOM 0 HD12 LEU A 123 23.175 6.105 -2.894 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.818 7.382 -3.954 1.00 0.01 H new ATOM 0 HD21 LEU A 123 26.572 7.617 -2.589 1.00 0.01 H new ATOM 0 HD22 LEU A 123 25.545 8.987 -3.075 1.00 0.01 H new ATOM 0 HD23 LEU A 123 26.105 8.848 -1.392 1.00 0.01 H new ATOM 1918 N ARG A 124 22.550 11.163 0.242 1.00 0.01 N ATOM 1919 CA ARG A 124 21.399 11.954 0.775 1.00 0.00 C ATOM 1920 C ARG A 124 20.297 12.096 -0.283 1.00 0.01 C ATOM 1921 O ARG A 124 19.152 12.355 0.035 1.00 0.01 O ATOM 1922 CB ARG A 124 21.888 13.347 1.181 1.00 1.67 C ATOM 1923 CG ARG A 124 22.965 13.216 2.259 1.00 1.98 C ATOM 1924 CD ARG A 124 23.573 14.591 2.544 1.00 2.92 C ATOM 1925 NE ARG A 124 24.432 15.003 1.399 1.00 3.54 N ATOM 1926 CZ ARG A 124 24.810 16.246 1.282 1.00 4.57 C ATOM 1927 NH1 ARG A 124 24.435 17.127 2.169 1.00 5.25 N ATOM 1928 NH2 ARG A 124 25.561 16.610 0.279 1.00 5.32 N ATOM 0 H ARG A 124 23.271 11.712 -0.226 1.00 0.01 H new ATOM 0 HA ARG A 124 20.989 11.431 1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.289 13.870 0.313 1.00 1.67 H new ATOM 0 HB3 ARG A 124 21.055 13.942 1.555 1.00 1.67 H new ATOM 0 HG2 ARG A 124 22.534 12.802 3.170 1.00 1.98 H new ATOM 0 HG3 ARG A 124 23.741 12.525 1.930 1.00 1.98 H new ATOM 0 HD2 ARG A 124 22.782 15.324 2.701 1.00 2.92 H new ATOM 0 HD3 ARG A 124 24.162 14.557 3.460 1.00 2.92 H new ATOM 0 HE ARG A 124 24.725 14.313 0.707 1.00 3.54 H new ATOM 0 HH11 ARG A 124 23.847 16.843 2.953 1.00 5.25 H new ATOM 0 HH12 ARG A 124 24.730 18.099 2.079 1.00 5.25 H new ATOM 0 HH21 ARG A 124 25.853 15.922 -0.415 1.00 5.32 H new ATOM 0 HH22 ARG A 124 25.856 17.582 0.189 1.00 5.32 H new ATOM 1942 N GLU A 125 20.631 11.949 -1.542 1.00 0.01 N ATOM 1943 CA GLU A 125 19.604 12.102 -2.620 1.00 0.01 C ATOM 1944 C GLU A 125 19.939 11.179 -3.797 1.00 0.01 C ATOM 1945 O GLU A 125 21.047 10.696 -3.923 1.00 0.01 O ATOM 1946 CB GLU A 125 19.606 13.550 -3.117 1.00 0.01 C ATOM 1947 CG GLU A 125 19.064 14.469 -2.018 1.00 0.01 C ATOM 1948 CD GLU A 125 18.883 15.882 -2.578 1.00 0.02 C ATOM 1949 OE1 GLU A 125 19.514 16.186 -3.578 1.00 0.02 O ATOM 1950 OE2 GLU A 125 18.119 16.635 -1.997 1.00 0.01 O ATOM 0 H GLU A 125 21.571 11.729 -1.870 1.00 0.01 H new ATOM 0 HA GLU A 125 18.625 11.841 -2.218 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.618 13.850 -3.391 1.00 0.01 H new ATOM 0 HB3 GLU A 125 18.994 13.638 -4.014 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.112 14.088 -1.647 1.00 0.01 H new ATOM 0 HG3 GLU A 125 19.751 14.487 -1.172 1.00 0.01 H new ATOM 1957 N ILE A 126 18.989 10.947 -4.672 1.00 0.01 N ATOM 1958 CA ILE A 126 19.235 10.075 -5.867 1.00 0.01 C ATOM 1959 C ILE A 126 18.767 10.837 -7.108 1.00 0.01 C ATOM 1960 O ILE A 126 17.649 11.312 -7.152 1.00 0.01 O ATOM 1961 CB ILE A 126 18.410 8.788 -5.733 1.00 1.33 C ATOM 1962 CG1 ILE A 126 18.807 8.035 -4.442 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.636 7.900 -6.963 1.00 2.17 C ATOM 1964 CD1 ILE A 126 20.062 7.174 -4.660 1.00 1.70 C ATOM 0 H ILE A 126 18.045 11.328 -4.609 1.00 0.01 H new ATOM 0 HA ILE A 126 20.292 9.822 -5.943 1.00 0.01 H new ATOM 0 HB ILE A 126 17.352 9.043 -5.672 1.00 1.33 H new ATOM 0 HG12 ILE A 126 18.990 8.752 -3.642 1.00 1.49 H new ATOM 0 HG13 ILE A 126 17.981 7.402 -4.119 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.049 6.987 -6.865 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.327 8.436 -7.860 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.693 7.645 -7.039 1.00 2.17 H new ATOM 0 HD11 ILE A 126 20.315 6.658 -3.734 1.00 1.70 H new ATOM 0 HD12 ILE A 126 19.869 6.441 -5.443 1.00 1.70 H new ATOM 0 HD13 ILE A 126 20.894 7.812 -4.958 1.00 1.70 H new ATOM 1976 N HIS A 127 19.621 11.007 -8.097 1.00 0.01 N ATOM 1977 CA HIS A 127 19.220 11.801 -9.309 1.00 0.01 C ATOM 1978 C HIS A 127 19.043 10.931 -10.558 1.00 0.01 C ATOM 1979 O HIS A 127 18.468 11.361 -11.538 1.00 0.01 O ATOM 1980 CB HIS A 127 20.277 12.873 -9.588 1.00 0.02 C ATOM 1981 CG HIS A 127 20.616 13.585 -8.307 1.00 0.01 C ATOM 1982 ND1 HIS A 127 21.447 13.026 -7.349 1.00 0.01 N ATOM 1983 CD2 HIS A 127 20.242 14.809 -7.813 1.00 0.01 C ATOM 1984 CE1 HIS A 127 21.545 13.905 -6.335 1.00 0.01 C ATOM 1985 NE2 HIS A 127 20.830 15.010 -6.567 1.00 0.02 N ATOM 0 H HIS A 127 20.570 10.634 -8.117 1.00 0.01 H new ATOM 0 HA HIS A 127 18.254 12.255 -9.090 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.172 12.416 -10.011 1.00 0.02 H new ATOM 0 HB3 HIS A 127 19.904 13.584 -10.325 1.00 0.02 H new ATOM 0 HD1 HIS A 127 21.901 12.114 -7.403 1.00 0.01 H new ATOM 0 HD2 HIS A 127 19.591 15.510 -8.314 1.00 0.01 H new ATOM 0 HE1 HIS A 127 22.130 13.738 -5.443 1.00 0.01 H new ATOM 1993 N SER A 128 19.501 9.706 -10.534 1.00 0.01 N ATOM 1994 CA SER A 128 19.318 8.819 -11.720 1.00 0.01 C ATOM 1995 C SER A 128 19.443 7.361 -11.275 1.00 0.01 C ATOM 1996 O SER A 128 20.153 7.048 -10.339 1.00 0.01 O ATOM 1997 CB SER A 128 20.395 9.126 -12.761 1.00 0.01 C ATOM 1998 OG SER A 128 20.591 7.982 -13.580 1.00 0.01 O ATOM 0 H SER A 128 19.992 9.283 -9.747 1.00 0.01 H new ATOM 0 HA SER A 128 18.335 8.990 -12.158 1.00 0.01 H new ATOM 0 HB2 SER A 128 20.096 9.978 -13.371 1.00 0.01 H new ATOM 0 HB3 SER A 128 21.328 9.399 -12.267 1.00 0.01 H new ATOM 0 HG SER A 128 19.938 7.987 -14.311 1.00 0.01 H new ATOM 2004 N CYS A 129 18.759 6.467 -11.936 1.00 0.01 N ATOM 2005 CA CYS A 129 18.828 5.029 -11.552 1.00 0.01 C ATOM 2006 C CYS A 129 18.137 4.195 -12.632 1.00 0.00 C ATOM 2007 O CYS A 129 17.209 4.658 -13.268 1.00 0.01 O ATOM 2008 CB CYS A 129 18.125 4.818 -10.209 1.00 0.69 C ATOM 2009 SG CYS A 129 16.354 5.151 -10.391 1.00 1.22 S ATOM 0 H CYS A 129 18.152 6.673 -12.730 1.00 0.01 H new ATOM 0 HA CYS A 129 19.870 4.722 -11.458 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.279 3.796 -9.863 1.00 0.69 H new ATOM 0 HB3 CYS A 129 18.554 5.478 -9.455 1.00 0.69 H new ATOM 0 HG CYS A 129 16.185 6.332 -10.907 1.00 1.22 H new ATOM 2015 N LYS A 130 18.577 2.975 -12.857 1.00 0.01 N ATOM 2016 CA LYS A 130 17.936 2.123 -13.913 1.00 0.01 C ATOM 2017 C LYS A 130 17.387 0.835 -13.288 1.00 0.01 C ATOM 2018 O LYS A 130 18.112 -0.024 -12.817 1.00 0.01 O ATOM 2019 CB LYS A 130 18.972 1.777 -14.994 1.00 0.55 C ATOM 2020 CG LYS A 130 18.263 1.446 -16.310 1.00 0.80 C ATOM 2021 CD LYS A 130 19.303 1.134 -17.386 1.00 0.29 C ATOM 2022 CE LYS A 130 18.628 1.122 -18.758 1.00 0.33 C ATOM 2023 NZ LYS A 130 19.630 0.767 -19.803 1.00 1.41 N ATOM 0 H LYS A 130 19.349 2.535 -12.356 1.00 0.01 H new ATOM 0 HA LYS A 130 17.112 2.675 -14.365 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.653 2.616 -15.139 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.576 0.928 -14.673 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.599 0.593 -16.173 1.00 0.80 H new ATOM 0 HG3 LYS A 130 17.642 2.286 -16.622 1.00 0.80 H new ATOM 0 HD2 LYS A 130 20.098 1.880 -17.366 1.00 0.29 H new ATOM 0 HD3 LYS A 130 19.768 0.168 -17.189 1.00 0.29 H new ATOM 0 HE2 LYS A 130 17.809 0.403 -18.766 1.00 0.33 H new ATOM 0 HE3 LYS A 130 18.196 2.100 -18.971 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 19.171 0.759 -20.736 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 20.397 1.469 -19.801 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 20.022 -0.175 -19.602 1.00 1.41 H new ATOM 2037 N VAL A 131 16.088 0.719 -13.294 1.00 0.01 N ATOM 2038 CA VAL A 131 15.388 -0.477 -12.739 1.00 0.01 C ATOM 2039 C VAL A 131 14.744 -1.221 -13.912 1.00 0.01 C ATOM 2040 O VAL A 131 14.005 -0.628 -14.673 1.00 0.01 O ATOM 2041 CB VAL A 131 14.298 -0.015 -11.753 1.00 0.01 C ATOM 2042 CG1 VAL A 131 13.999 -1.128 -10.743 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.785 1.234 -11.012 1.00 0.01 C ATOM 0 H VAL A 131 15.461 1.428 -13.674 1.00 0.01 H new ATOM 0 HA VAL A 131 16.086 -1.128 -12.212 1.00 0.01 H new ATOM 0 HB VAL A 131 13.387 0.216 -12.305 1.00 0.01 H new ATOM 0 HG11 VAL A 131 13.227 -0.793 -10.050 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.651 -2.015 -11.272 1.00 0.01 H new ATOM 0 HG13 VAL A 131 14.906 -1.369 -10.188 1.00 0.01 H new ATOM 0 HG21 VAL A 131 14.017 1.565 -10.313 1.00 0.01 H new ATOM 0 HG22 VAL A 131 15.698 0.999 -10.464 1.00 0.01 H new ATOM 0 HG23 VAL A 131 14.987 2.028 -11.731 1.00 0.01 H new ATOM 2053 N VAL A 132 14.961 -2.511 -14.055 1.00 0.01 N ATOM 2054 CA VAL A 132 14.298 -3.264 -15.151 1.00 0.01 C ATOM 2055 C VAL A 132 13.632 -4.477 -14.520 1.00 0.00 C ATOM 2056 O VAL A 132 14.204 -5.540 -14.376 1.00 0.01 O ATOM 2057 CB VAL A 132 15.348 -3.726 -16.163 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.658 -4.436 -17.330 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.116 -2.512 -16.691 1.00 1.98 C ATOM 0 H VAL A 132 15.570 -3.067 -13.455 1.00 0.01 H new ATOM 0 HA VAL A 132 13.568 -2.641 -15.667 1.00 0.01 H new ATOM 0 HB VAL A 132 16.040 -4.414 -15.677 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.407 -4.765 -18.050 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.110 -5.301 -16.957 1.00 1.00 H new ATOM 0 HG13 VAL A 132 13.965 -3.749 -17.815 1.00 1.00 H new ATOM 0 HG21 VAL A 132 16.864 -2.840 -17.412 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.422 -1.825 -17.175 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.609 -2.005 -15.862 1.00 1.98 H new ATOM 2069 N GLU A 133 12.403 -4.298 -14.193 1.00 0.01 N ATOM 2070 CA GLU A 133 11.565 -5.378 -13.606 1.00 0.01 C ATOM 2071 C GLU A 133 10.148 -5.118 -14.098 1.00 0.01 C ATOM 2072 O GLU A 133 9.650 -5.786 -14.983 1.00 0.01 O ATOM 2073 CB GLU A 133 11.621 -5.306 -12.078 1.00 0.00 C ATOM 2074 CG GLU A 133 10.689 -6.358 -11.465 1.00 0.00 C ATOM 2075 CD GLU A 133 11.113 -7.755 -11.925 1.00 0.00 C ATOM 2076 OE1 GLU A 133 12.293 -8.053 -11.832 1.00 0.00 O ATOM 2077 OE2 GLU A 133 10.251 -8.500 -12.362 1.00 0.00 O ATOM 0 H GLU A 133 11.913 -3.411 -14.310 1.00 0.01 H new ATOM 0 HA GLU A 133 11.912 -6.368 -13.900 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.643 -5.471 -11.736 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.329 -4.311 -11.742 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.722 -6.297 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.659 -6.163 -11.764 1.00 0.00 H new ATOM 2084 N GLY A 134 9.491 -4.147 -13.526 1.00 0.01 N ATOM 2085 CA GLY A 134 8.102 -3.831 -13.948 1.00 0.01 C ATOM 2086 C GLY A 134 7.380 -3.114 -12.805 1.00 0.01 C ATOM 2087 O GLY A 134 6.842 -2.039 -12.982 1.00 0.01 O ATOM 0 H GLY A 134 9.861 -3.557 -12.781 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.114 -3.202 -14.838 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.572 -4.746 -14.212 1.00 0.01 H new ATOM 2091 N THR A 135 7.359 -3.710 -11.631 1.00 0.01 N ATOM 2092 CA THR A 135 6.662 -3.078 -10.460 1.00 0.01 C ATOM 2093 C THR A 135 7.647 -2.818 -9.306 1.00 0.01 C ATOM 2094 O THR A 135 7.938 -3.692 -8.509 1.00 0.01 O ATOM 2095 CB THR A 135 5.553 -4.013 -9.979 1.00 1.43 C ATOM 2096 OG1 THR A 135 6.106 -5.285 -9.673 1.00 1.92 O ATOM 2097 CG2 THR A 135 4.491 -4.165 -11.073 1.00 2.30 C ATOM 0 H THR A 135 7.796 -4.610 -11.434 1.00 0.01 H new ATOM 0 HA THR A 135 6.243 -2.122 -10.775 1.00 0.01 H new ATOM 0 HB THR A 135 5.090 -3.593 -9.086 1.00 1.43 H new ATOM 0 HG1 THR A 135 6.943 -5.167 -9.178 1.00 1.92 H new ATOM 0 HG21 THR A 135 3.703 -4.833 -10.725 1.00 2.30 H new ATOM 0 HG22 THR A 135 4.064 -3.189 -11.304 1.00 2.30 H new ATOM 0 HG23 THR A 135 4.949 -4.582 -11.970 1.00 2.30 H new ATOM 2105 N TRP A 136 8.137 -1.605 -9.206 1.00 0.01 N ATOM 2106 CA TRP A 136 9.084 -1.224 -8.101 1.00 0.01 C ATOM 2107 C TRP A 136 8.520 0.039 -7.439 1.00 0.01 C ATOM 2108 O TRP A 136 7.951 0.877 -8.112 1.00 0.00 O ATOM 2109 CB TRP A 136 10.486 -0.949 -8.679 1.00 0.01 C ATOM 2110 CG TRP A 136 11.285 -2.217 -8.701 1.00 0.01 C ATOM 2111 CD1 TRP A 136 10.945 -3.338 -9.376 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.540 -2.512 -8.025 1.00 0.01 C ATOM 2113 NE1 TRP A 136 11.912 -4.302 -9.156 1.00 0.00 N ATOM 2114 CE2 TRP A 136 12.915 -3.841 -8.329 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.383 -1.763 -7.185 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 14.081 -4.409 -7.817 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.557 -2.331 -6.668 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.906 -3.652 -6.984 1.00 0.01 C ATOM 0 H TRP A 136 7.919 -0.848 -9.853 1.00 0.01 H new ATOM 0 HA TRP A 136 9.178 -2.029 -7.372 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.400 -0.545 -9.688 1.00 0.01 H new ATOM 0 HB3 TRP A 136 10.996 -0.197 -8.077 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.063 -3.461 -9.987 1.00 0.01 H new ATOM 0 HE1 TRP A 136 11.887 -5.240 -9.557 1.00 0.00 H new ATOM 0 HE3 TRP A 136 13.125 -0.744 -6.936 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.344 -5.427 -8.063 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 15.196 -1.747 -6.022 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.812 -4.083 -6.583 1.00 0.01 H new ATOM 2129 N ILE A 137 8.680 0.208 -6.138 1.00 0.01 N ATOM 2130 CA ILE A 137 8.149 1.445 -5.467 1.00 0.00 C ATOM 2131 C ILE A 137 9.274 2.203 -4.762 1.00 0.01 C ATOM 2132 O ILE A 137 10.118 1.622 -4.108 1.00 0.01 O ATOM 2133 CB ILE A 137 7.123 1.069 -4.393 1.00 0.60 C ATOM 2134 CG1 ILE A 137 6.018 0.191 -4.989 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.498 2.349 -3.829 1.00 1.37 C ATOM 2136 CD1 ILE A 137 5.117 -0.359 -3.867 1.00 1.69 C ATOM 0 H ILE A 137 9.151 -0.452 -5.520 1.00 0.01 H new ATOM 0 HA ILE A 137 7.696 2.064 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 137 7.626 0.513 -3.602 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.422 0.771 -5.693 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.460 -0.634 -5.549 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.766 2.090 -3.064 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.278 2.972 -3.390 1.00 1.37 H new ATOM 0 HG23 ILE A 137 6.005 2.897 -4.632 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.335 -0.982 -4.301 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.716 -0.956 -3.179 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.662 0.471 -3.326 1.00 1.69 H new ATOM 2148 N PHE A 138 9.255 3.505 -4.868 1.00 0.01 N ATOM 2149 CA PHE A 138 10.273 4.361 -4.184 1.00 0.01 C ATOM 2150 C PHE A 138 9.531 5.171 -3.125 1.00 0.01 C ATOM 2151 O PHE A 138 8.409 5.571 -3.341 1.00 0.00 O ATOM 2152 CB PHE A 138 10.921 5.301 -5.203 1.00 1.11 C ATOM 2153 CG PHE A 138 11.921 4.525 -6.026 1.00 1.11 C ATOM 2154 CD1 PHE A 138 13.215 4.325 -5.537 1.00 1.54 C ATOM 2155 CD2 PHE A 138 11.553 4.001 -7.270 1.00 1.46 C ATOM 2156 CE1 PHE A 138 14.146 3.603 -6.291 1.00 2.35 C ATOM 2157 CE2 PHE A 138 12.484 3.277 -8.026 1.00 2.01 C ATOM 2158 CZ PHE A 138 13.781 3.079 -7.535 1.00 2.49 C ATOM 0 H PHE A 138 8.564 4.023 -5.410 1.00 0.01 H new ATOM 0 HA PHE A 138 11.058 3.756 -3.731 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.159 5.737 -5.850 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.415 6.127 -4.691 1.00 1.11 H new ATOM 0 HD1 PHE A 138 13.496 4.729 -4.576 1.00 1.54 H new ATOM 0 HD2 PHE A 138 10.553 4.154 -7.647 1.00 1.46 H new ATOM 0 HE1 PHE A 138 15.146 3.450 -5.913 1.00 2.35 H new ATOM 0 HE2 PHE A 138 12.202 2.872 -8.987 1.00 2.01 H new ATOM 0 HZ PHE A 138 14.499 2.521 -8.118 1.00 2.49 H new ATOM 2168 N TYR A 139 10.139 5.422 -1.985 1.00 0.01 N ATOM 2169 CA TYR A 139 9.456 6.216 -0.912 1.00 0.01 C ATOM 2170 C TYR A 139 10.311 7.434 -0.549 1.00 0.01 C ATOM 2171 O TYR A 139 11.528 7.388 -0.608 1.00 0.01 O ATOM 2172 CB TYR A 139 9.266 5.340 0.327 1.00 0.01 C ATOM 2173 CG TYR A 139 8.571 4.057 -0.069 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.274 3.071 -0.770 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.224 3.853 0.264 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.632 1.882 -1.141 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.585 2.663 -0.106 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.289 1.679 -0.808 1.00 0.02 C ATOM 2179 OH TYR A 139 6.658 0.508 -1.176 1.00 0.00 O ATOM 0 H TYR A 139 11.082 5.109 -1.753 1.00 0.01 H new ATOM 0 HA TYR A 139 8.484 6.552 -1.274 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.232 5.118 0.781 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.676 5.871 1.075 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.312 3.226 -1.025 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.680 4.613 0.805 1.00 0.01 H new ATOM 0 HE1 TYR A 139 9.174 1.122 -1.684 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.548 2.505 0.151 1.00 0.02 H new ATOM 0 HH TYR A 139 5.728 0.526 -0.867 1.00 0.00 H new ATOM 2189 N GLU A 140 9.680 8.539 -0.242 1.00 0.01 N ATOM 2190 CA GLU A 140 10.433 9.796 0.050 1.00 0.02 C ATOM 2191 C GLU A 140 11.061 9.778 1.451 1.00 0.01 C ATOM 2192 O GLU A 140 12.075 10.413 1.667 1.00 0.01 O ATOM 2193 CB GLU A 140 9.440 10.956 -0.035 1.00 0.01 C ATOM 2194 CG GLU A 140 10.201 12.283 -0.028 1.00 0.02 C ATOM 2195 CD GLU A 140 9.204 13.443 0.002 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.381 13.466 0.902 1.00 0.02 O ATOM 2197 OE2 GLU A 140 9.281 14.286 -0.876 1.00 0.01 O ATOM 0 H GLU A 140 8.665 8.624 -0.181 1.00 0.01 H new ATOM 0 HA GLU A 140 11.244 9.899 -0.671 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.844 10.872 -0.943 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.747 10.918 0.806 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.859 12.333 0.840 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.834 12.356 -0.912 1.00 0.02 H new ATOM 2204 N LEU A 141 10.488 9.084 2.413 1.00 0.01 N ATOM 2205 CA LEU A 141 11.083 9.070 3.796 1.00 0.02 C ATOM 2206 C LEU A 141 11.535 7.632 4.132 1.00 0.01 C ATOM 2207 O LEU A 141 11.012 6.677 3.586 1.00 0.01 O ATOM 2208 CB LEU A 141 9.999 9.526 4.796 1.00 0.57 C ATOM 2209 CG LEU A 141 9.956 11.067 4.876 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.585 11.517 5.391 1.00 1.48 C ATOM 2211 CD2 LEU A 141 11.042 11.586 5.833 1.00 1.24 C ATOM 0 H LEU A 141 9.639 8.530 2.302 1.00 0.01 H new ATOM 0 HA LEU A 141 11.942 9.739 3.853 1.00 0.02 H new ATOM 0 HB2 LEU A 141 9.026 9.144 4.487 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.206 9.110 5.782 1.00 0.57 H new ATOM 0 HG LEU A 141 10.133 11.471 3.879 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.557 12.605 5.447 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.808 11.168 4.711 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.413 11.098 6.383 1.00 1.48 H new ATOM 0 HD21 LEU A 141 10.998 12.674 5.878 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.876 11.175 6.829 1.00 1.24 H new ATOM 0 HD23 LEU A 141 12.023 11.277 5.472 1.00 1.24 H new ATOM 2223 N PRO A 142 12.499 7.470 5.024 1.00 0.01 N ATOM 2224 CA PRO A 142 12.993 6.111 5.391 1.00 0.01 C ATOM 2225 C PRO A 142 11.875 5.172 5.863 1.00 0.01 C ATOM 2226 O PRO A 142 10.777 5.577 6.185 1.00 0.01 O ATOM 2227 CB PRO A 142 14.000 6.404 6.527 1.00 0.01 C ATOM 2228 CG PRO A 142 13.959 7.912 6.835 1.00 0.02 C ATOM 2229 CD PRO A 142 13.166 8.611 5.720 1.00 0.01 C ATOM 0 HA PRO A 142 13.430 5.589 4.540 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.746 5.828 7.417 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.005 6.105 6.230 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.490 8.089 7.803 1.00 0.02 H new ATOM 0 HG3 PRO A 142 14.970 8.315 6.892 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.441 9.319 6.122 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.818 9.169 5.048 1.00 0.01 H new ATOM 2237 N ASN A 143 12.200 3.910 5.919 1.00 0.01 N ATOM 2238 CA ASN A 143 11.237 2.876 6.385 1.00 0.01 C ATOM 2239 C ASN A 143 9.982 2.843 5.508 1.00 0.01 C ATOM 2240 O ASN A 143 8.905 2.506 5.956 1.00 0.01 O ATOM 2241 CB ASN A 143 10.832 3.178 7.829 1.00 0.23 C ATOM 2242 CG ASN A 143 12.080 3.501 8.652 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.261 3.286 8.136 1.00 0.75 O flip ATOM 2244 ND2 ASN A 143 11.982 3.953 9.776 1.00 0.56 N flip ATOM 0 H ASN A 143 13.115 3.545 5.655 1.00 0.01 H new ATOM 0 HA ASN A 143 11.725 1.904 6.320 1.00 0.01 H new ATOM 0 HB2 ASN A 143 10.139 4.019 7.855 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.312 2.322 8.259 1.00 0.23 H new ATOM 0 HD21 ASN A 143 11.060 4.121 10.180 1.00 0.56 H new ATOM 0 HD22 ASN A 143 12.821 4.164 10.316 1.00 0.56 H new ATOM 2251 N TYR A 144 10.129 3.153 4.248 1.00 0.01 N ATOM 2252 CA TYR A 144 8.972 3.106 3.309 1.00 0.02 C ATOM 2253 C TYR A 144 7.830 4.012 3.790 1.00 0.01 C ATOM 2254 O TYR A 144 6.694 3.592 3.881 1.00 0.01 O ATOM 2255 CB TYR A 144 8.475 1.654 3.199 1.00 0.01 C ATOM 2256 CG TYR A 144 9.657 0.714 3.325 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.686 0.756 2.376 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.731 -0.189 4.395 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.787 -0.102 2.495 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.833 -1.046 4.515 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.860 -1.003 3.565 1.00 0.01 C ATOM 2262 OH TYR A 144 12.946 -1.849 3.683 1.00 0.01 O ATOM 0 H TYR A 144 11.012 3.440 3.825 1.00 0.01 H new ATOM 0 HA TYR A 144 9.298 3.466 2.333 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.745 1.446 3.981 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.972 1.500 2.244 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.631 1.451 1.551 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.938 -0.224 5.127 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.579 -0.069 1.762 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.890 -1.740 5.341 1.00 0.01 H new ATOM 0 HH TYR A 144 12.840 -2.408 4.481 1.00 0.01 H new ATOM 2272 N ARG A 145 8.127 5.253 4.095 1.00 0.02 N ATOM 2273 CA ARG A 145 7.062 6.201 4.571 1.00 0.01 C ATOM 2274 C ARG A 145 7.067 7.467 3.710 1.00 0.01 C ATOM 2275 O ARG A 145 7.999 7.720 2.973 1.00 0.01 O ATOM 2276 CB ARG A 145 7.341 6.589 6.024 1.00 0.01 C ATOM 2277 CG ARG A 145 7.180 5.359 6.921 1.00 0.02 C ATOM 2278 CD ARG A 145 7.263 5.781 8.389 1.00 0.01 C ATOM 2279 NE ARG A 145 6.025 6.519 8.765 1.00 0.01 N ATOM 2280 CZ ARG A 145 5.738 6.713 10.024 1.00 0.01 C ATOM 2281 NH1 ARG A 145 6.533 6.258 10.953 1.00 0.02 N ATOM 2282 NH2 ARG A 145 4.655 7.361 10.353 1.00 0.01 N ATOM 0 H ARG A 145 9.063 5.654 4.035 1.00 0.02 H new ATOM 0 HA ARG A 145 6.091 5.712 4.494 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.350 6.990 6.117 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.655 7.375 6.340 1.00 0.01 H new ATOM 0 HG2 ARG A 145 6.223 4.876 6.724 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.958 4.629 6.697 1.00 0.02 H new ATOM 0 HD2 ARG A 145 7.383 4.903 9.024 1.00 0.01 H new ATOM 0 HD3 ARG A 145 8.138 6.412 8.548 1.00 0.01 H new ATOM 0 HE ARG A 145 5.402 6.873 8.039 1.00 0.01 H new ATOM 0 HH11 ARG A 145 7.380 5.750 10.696 1.00 0.02 H new ATOM 0 HH12 ARG A 145 6.308 6.410 11.936 1.00 0.02 H new ATOM 0 HH21 ARG A 145 4.033 7.716 9.627 1.00 0.01 H new ATOM 0 HH22 ARG A 145 4.430 7.513 11.336 1.00 0.01 H new ATOM 2296 N GLY A 146 6.025 8.258 3.785 1.00 0.01 N ATOM 2297 CA GLY A 146 5.959 9.509 2.969 1.00 0.02 C ATOM 2298 C GLY A 146 5.328 9.219 1.604 1.00 0.01 C ATOM 2299 O GLY A 146 4.731 8.184 1.388 1.00 0.02 O ATOM 0 H GLY A 146 5.214 8.090 4.380 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.374 10.264 3.495 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.961 9.918 2.835 1.00 0.02 H new ATOM 2303 N ARG A 147 5.460 10.139 0.688 1.00 0.01 N ATOM 2304 CA ARG A 147 4.871 9.947 -0.671 1.00 0.01 C ATOM 2305 C ARG A 147 5.644 8.850 -1.399 1.00 0.01 C ATOM 2306 O ARG A 147 6.843 8.708 -1.252 1.00 0.01 O ATOM 2307 CB ARG A 147 4.982 11.256 -1.457 1.00 0.01 C ATOM 2308 CG ARG A 147 4.257 11.112 -2.796 1.00 0.01 C ATOM 2309 CD ARG A 147 4.129 12.485 -3.458 1.00 0.01 C ATOM 2310 NE ARG A 147 3.215 13.342 -2.651 1.00 0.02 N ATOM 2311 CZ ARG A 147 3.184 14.631 -2.851 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.954 15.169 -3.755 1.00 0.01 N ATOM 2313 NH2 ARG A 147 2.385 15.381 -2.143 1.00 0.02 N ATOM 0 H ARG A 147 5.953 11.022 0.822 1.00 0.01 H new ATOM 0 HA ARG A 147 3.823 9.661 -0.584 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.548 12.075 -0.883 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.030 11.504 -1.624 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.806 10.432 -3.448 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.269 10.677 -2.642 1.00 0.01 H new ATOM 0 HD2 ARG A 147 5.109 12.955 -3.538 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.743 12.377 -4.472 1.00 0.01 H new ATOM 0 HE ARG A 147 2.614 12.921 -1.943 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.581 14.582 -4.306 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.930 16.177 -3.911 1.00 0.01 H new ATOM 0 HH21 ARG A 147 1.785 14.960 -1.434 1.00 0.02 H new ATOM 0 HH22 ARG A 147 2.360 16.389 -2.299 1.00 0.02 H new ATOM 2327 N GLN A 148 4.941 8.046 -2.160 1.00 0.01 N ATOM 2328 CA GLN A 148 5.580 6.912 -2.891 1.00 0.01 C ATOM 2329 C GLN A 148 5.461 7.138 -4.402 1.00 0.01 C ATOM 2330 O GLN A 148 4.514 7.736 -4.874 1.00 0.01 O ATOM 2331 CB GLN A 148 4.824 5.631 -2.510 1.00 0.00 C ATOM 2332 CG GLN A 148 4.502 5.644 -1.009 1.00 0.02 C ATOM 2333 CD GLN A 148 3.269 6.513 -0.747 1.00 0.02 C ATOM 2334 OE1 GLN A 148 2.624 6.968 -1.672 1.00 0.02 O ATOM 2335 NE2 GLN A 148 2.911 6.764 0.483 1.00 0.01 N ATOM 0 H GLN A 148 3.935 8.131 -2.306 1.00 0.01 H new ATOM 0 HA GLN A 148 6.635 6.835 -2.629 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.903 5.556 -3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.426 4.756 -2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 148 4.322 4.628 -0.658 1.00 0.02 H new ATOM 0 HG3 GLN A 148 5.354 6.029 -0.449 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.452 6.383 1.259 1.00 0.01 H new ATOM 0 HE22 GLN A 148 2.091 7.341 0.668 1.00 0.01 H new ATOM 2344 N TYR A 149 6.414 6.652 -5.160 1.00 0.01 N ATOM 2345 CA TYR A 149 6.377 6.812 -6.651 1.00 0.01 C ATOM 2346 C TYR A 149 6.449 5.431 -7.308 1.00 0.01 C ATOM 2347 O TYR A 149 7.247 4.600 -6.918 1.00 0.01 O ATOM 2348 CB TYR A 149 7.567 7.661 -7.107 1.00 0.01 C ATOM 2349 CG TYR A 149 7.503 9.017 -6.447 1.00 0.01 C ATOM 2350 CD1 TYR A 149 8.048 9.200 -5.169 1.00 0.01 C ATOM 2351 CD2 TYR A 149 6.901 10.091 -7.112 1.00 0.01 C ATOM 2352 CE1 TYR A 149 7.990 10.458 -4.557 1.00 0.01 C ATOM 2353 CE2 TYR A 149 6.844 11.348 -6.499 1.00 0.01 C ATOM 2354 CZ TYR A 149 7.388 11.531 -5.223 1.00 0.01 C ATOM 2355 OH TYR A 149 7.330 12.770 -4.620 1.00 0.01 O ATOM 0 H TYR A 149 7.226 6.145 -4.807 1.00 0.01 H new ATOM 0 HA TYR A 149 5.451 7.308 -6.942 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.502 7.163 -6.849 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.553 7.772 -8.191 1.00 0.01 H new ATOM 0 HD1 TYR A 149 8.513 8.371 -4.656 1.00 0.01 H new ATOM 0 HD2 TYR A 149 6.481 9.950 -8.097 1.00 0.01 H new ATOM 0 HE1 TYR A 149 8.409 10.600 -3.572 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.380 12.178 -7.011 1.00 0.01 H new ATOM 0 HH TYR A 149 6.881 13.404 -5.217 1.00 0.01 H new ATOM 2365 N LEU A 150 5.630 5.159 -8.294 1.00 0.01 N ATOM 2366 CA LEU A 150 5.667 3.816 -8.951 1.00 0.01 C ATOM 2367 C LEU A 150 6.554 3.895 -10.192 1.00 0.01 C ATOM 2368 O LEU A 150 6.304 4.671 -11.094 1.00 0.01 O ATOM 2369 CB LEU A 150 4.236 3.438 -9.360 1.00 0.01 C ATOM 2370 CG LEU A 150 4.170 1.952 -9.780 1.00 0.01 C ATOM 2371 CD1 LEU A 150 3.902 1.073 -8.554 1.00 0.01 C ATOM 2372 CD2 LEU A 150 3.036 1.748 -10.794 1.00 0.01 C ATOM 0 H LEU A 150 4.939 5.807 -8.672 1.00 0.01 H new ATOM 0 HA LEU A 150 6.068 3.066 -8.269 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.554 3.618 -8.529 1.00 0.01 H new ATOM 0 HB3 LEU A 150 3.908 4.070 -10.185 1.00 0.01 H new ATOM 0 HG LEU A 150 5.123 1.673 -10.230 1.00 0.01 H new ATOM 0 HD11 LEU A 150 3.857 0.027 -8.859 1.00 0.01 H new ATOM 0 HD12 LEU A 150 4.705 1.205 -7.829 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.953 1.360 -8.101 1.00 0.01 H new ATOM 0 HD21 LEU A 150 2.994 0.699 -11.087 1.00 0.01 H new ATOM 0 HD22 LEU A 150 2.087 2.037 -10.342 1.00 0.01 H new ATOM 0 HD23 LEU A 150 3.220 2.363 -11.675 1.00 0.01 H new ATOM 2384 N LEU A 151 7.592 3.099 -10.247 1.00 0.01 N ATOM 2385 CA LEU A 151 8.505 3.127 -11.433 1.00 0.01 C ATOM 2386 C LEU A 151 8.067 2.041 -12.429 1.00 0.01 C ATOM 2387 O LEU A 151 7.374 1.107 -12.076 1.00 0.01 O ATOM 2388 CB LEU A 151 9.959 2.874 -10.952 1.00 0.01 C ATOM 2389 CG LEU A 151 10.928 3.962 -11.471 1.00 0.01 C ATOM 2390 CD1 LEU A 151 10.937 3.983 -13.010 1.00 0.01 C ATOM 2391 CD2 LEU A 151 10.528 5.348 -10.919 1.00 0.01 C ATOM 0 H LEU A 151 7.848 2.430 -9.521 1.00 0.01 H new ATOM 0 HA LEU A 151 8.459 4.097 -11.929 1.00 0.01 H new ATOM 0 HB2 LEU A 151 9.984 2.853 -9.862 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.292 1.895 -11.297 1.00 0.01 H new ATOM 0 HG LEU A 151 11.933 3.725 -11.120 1.00 0.01 H new ATOM 0 HD11 LEU A 151 11.624 4.754 -13.359 1.00 0.01 H new ATOM 0 HD12 LEU A 151 11.260 3.012 -13.385 1.00 0.01 H new ATOM 0 HD13 LEU A 151 9.933 4.198 -13.377 1.00 0.01 H new ATOM 0 HD21 LEU A 151 11.220 6.102 -11.294 1.00 0.01 H new ATOM 0 HD22 LEU A 151 9.516 5.591 -11.243 1.00 0.01 H new ATOM 0 HD23 LEU A 151 10.565 5.330 -9.830 1.00 0.01 H new ATOM 2403 N ASP A 152 8.472 2.162 -13.672 1.00 0.01 N ATOM 2404 CA ASP A 152 8.093 1.147 -14.708 1.00 0.01 C ATOM 2405 C ASP A 152 9.331 0.329 -15.094 1.00 0.00 C ATOM 2406 O ASP A 152 9.844 -0.441 -14.306 1.00 0.01 O ATOM 2407 CB ASP A 152 7.544 1.866 -15.945 1.00 1.04 C ATOM 2408 CG ASP A 152 8.392 3.104 -16.234 1.00 1.54 C ATOM 2409 OD1 ASP A 152 8.366 4.018 -15.425 1.00 2.27 O ATOM 2410 OD2 ASP A 152 9.055 3.120 -17.259 1.00 1.57 O ATOM 0 H ASP A 152 9.053 2.926 -14.016 1.00 0.01 H new ATOM 0 HA ASP A 152 7.329 0.480 -14.308 1.00 0.01 H new ATOM 0 HB2 ASP A 152 7.556 1.195 -16.804 1.00 1.04 H new ATOM 0 HB3 ASP A 152 6.506 2.154 -15.780 1.00 1.04 H new ATOM 2415 N LYS A 153 9.815 0.485 -16.299 1.00 0.01 N ATOM 2416 CA LYS A 153 11.016 -0.292 -16.720 1.00 0.01 C ATOM 2417 C LYS A 153 11.554 0.256 -18.046 1.00 0.01 C ATOM 2418 O LYS A 153 11.872 -0.492 -18.949 1.00 0.01 O ATOM 2419 CB LYS A 153 10.630 -1.761 -16.899 1.00 0.38 C ATOM 2420 CG LYS A 153 9.396 -1.859 -17.797 1.00 0.71 C ATOM 2421 CD LYS A 153 9.105 -3.328 -18.108 1.00 0.72 C ATOM 2422 CE LYS A 153 7.773 -3.440 -18.854 1.00 1.09 C ATOM 2423 NZ LYS A 153 7.455 -4.877 -19.093 1.00 1.84 N ATOM 0 H LYS A 153 9.432 1.113 -17.005 1.00 0.01 H new ATOM 0 HA LYS A 153 11.788 -0.203 -15.956 1.00 0.01 H new ATOM 0 HB2 LYS A 153 11.459 -2.315 -17.340 1.00 0.38 H new ATOM 0 HB3 LYS A 153 10.424 -2.215 -15.929 1.00 0.38 H new ATOM 0 HG2 LYS A 153 8.537 -1.404 -17.303 1.00 0.71 H new ATOM 0 HG3 LYS A 153 9.562 -1.307 -18.722 1.00 0.71 H new ATOM 0 HD2 LYS A 153 9.909 -3.748 -18.713 1.00 0.72 H new ATOM 0 HD3 LYS A 153 9.066 -3.905 -17.184 1.00 0.72 H new ATOM 0 HE2 LYS A 153 6.978 -2.973 -18.273 1.00 1.09 H new ATOM 0 HE3 LYS A 153 7.830 -2.907 -19.803 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 6.550 -4.953 -19.600 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 8.209 -5.309 -19.664 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 7.384 -5.373 -18.182 1.00 1.84 H new ATOM 2437 N LYS A 154 11.660 1.558 -18.165 1.00 0.00 N ATOM 2438 CA LYS A 154 12.182 2.178 -19.428 1.00 0.01 C ATOM 2439 C LYS A 154 13.523 2.855 -19.137 1.00 0.01 C ATOM 2440 O LYS A 154 14.234 2.478 -18.225 1.00 0.00 O ATOM 2441 CB LYS A 154 11.185 3.231 -19.928 1.00 0.39 C ATOM 2442 CG LYS A 154 9.803 2.594 -20.145 1.00 0.48 C ATOM 2443 CD LYS A 154 9.759 1.871 -21.497 1.00 0.97 C ATOM 2444 CE LYS A 154 8.335 1.379 -21.764 1.00 1.44 C ATOM 2445 NZ LYS A 154 8.224 0.921 -23.179 1.00 2.28 N ATOM 0 H LYS A 154 11.405 2.224 -17.436 1.00 0.00 H new ATOM 0 HA LYS A 154 12.313 1.407 -20.188 1.00 0.01 H new ATOM 0 HB2 LYS A 154 11.110 4.043 -19.205 1.00 0.39 H new ATOM 0 HB3 LYS A 154 11.543 3.667 -20.861 1.00 0.39 H new ATOM 0 HG2 LYS A 154 9.589 1.890 -19.341 1.00 0.48 H new ATOM 0 HG3 LYS A 154 9.031 3.362 -20.110 1.00 0.48 H new ATOM 0 HD2 LYS A 154 10.078 2.544 -22.293 1.00 0.97 H new ATOM 0 HD3 LYS A 154 10.452 1.030 -21.495 1.00 0.97 H new ATOM 0 HE2 LYS A 154 8.088 0.562 -21.086 1.00 1.44 H new ATOM 0 HE3 LYS A 154 7.620 2.179 -21.573 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 7.256 0.587 -23.361 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 8.443 1.712 -23.818 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 8.896 0.145 -23.346 1.00 2.28 H new ATOM 2459 N GLU A 155 13.873 3.855 -19.907 1.00 0.01 N ATOM 2460 CA GLU A 155 15.168 4.576 -19.689 1.00 0.01 C ATOM 2461 C GLU A 155 14.880 5.945 -19.073 1.00 0.01 C ATOM 2462 O GLU A 155 14.401 6.845 -19.733 1.00 0.01 O ATOM 2463 CB GLU A 155 15.875 4.766 -21.033 1.00 0.01 C ATOM 2464 CG GLU A 155 16.279 3.402 -21.592 1.00 0.01 C ATOM 2465 CD GLU A 155 16.721 3.557 -23.047 1.00 0.01 C ATOM 2466 OE1 GLU A 155 15.856 3.676 -23.900 1.00 0.01 O ATOM 2467 OE2 GLU A 155 17.917 3.554 -23.285 1.00 0.01 O ATOM 0 H GLU A 155 13.313 4.207 -20.684 1.00 0.01 H new ATOM 0 HA GLU A 155 15.804 3.996 -19.021 1.00 0.01 H new ATOM 0 HB2 GLU A 155 15.216 5.278 -21.734 1.00 0.01 H new ATOM 0 HB3 GLU A 155 16.756 5.395 -20.907 1.00 0.01 H new ATOM 0 HG2 GLU A 155 17.089 2.979 -20.998 1.00 0.01 H new ATOM 0 HG3 GLU A 155 15.441 2.708 -21.528 1.00 0.01 H new ATOM 2474 N TYR A 156 15.162 6.108 -17.805 1.00 0.00 N ATOM 2475 CA TYR A 156 14.897 7.416 -17.129 1.00 0.01 C ATOM 2476 C TYR A 156 16.195 8.224 -17.043 1.00 0.01 C ATOM 2477 O TYR A 156 17.127 7.845 -16.364 1.00 0.01 O ATOM 2478 CB TYR A 156 14.346 7.143 -15.725 1.00 0.01 C ATOM 2479 CG TYR A 156 13.441 5.935 -15.771 1.00 0.00 C ATOM 2480 CD1 TYR A 156 12.096 6.082 -16.128 1.00 0.01 C ATOM 2481 CD2 TYR A 156 13.949 4.669 -15.458 1.00 0.01 C ATOM 2482 CE1 TYR A 156 11.257 4.961 -16.170 1.00 0.01 C ATOM 2483 CE2 TYR A 156 13.110 3.549 -15.500 1.00 0.01 C ATOM 2484 CZ TYR A 156 11.765 3.694 -15.857 1.00 0.01 C ATOM 2485 OH TYR A 156 10.939 2.591 -15.894 1.00 0.01 O ATOM 0 H TYR A 156 15.566 5.388 -17.206 1.00 0.00 H new ATOM 0 HA TYR A 156 14.168 7.991 -17.699 1.00 0.01 H new ATOM 0 HB2 TYR A 156 15.166 6.972 -15.027 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.795 8.011 -15.363 1.00 0.01 H new ATOM 0 HD1 TYR A 156 11.705 7.059 -16.371 1.00 0.01 H new ATOM 0 HD2 TYR A 156 14.988 4.556 -15.184 1.00 0.01 H new ATOM 0 HE1 TYR A 156 10.218 5.074 -16.444 1.00 0.01 H new ATOM 0 HE2 TYR A 156 13.501 2.572 -15.257 1.00 0.01 H new ATOM 0 HH TYR A 156 11.235 1.938 -15.226 1.00 0.01 H new ATOM 2495 N ARG A 157 16.278 9.318 -17.755 1.00 0.01 N ATOM 2496 CA ARG A 157 17.536 10.125 -17.743 1.00 0.01 C ATOM 2497 C ARG A 157 17.466 11.255 -16.710 1.00 0.00 C ATOM 2498 O ARG A 157 18.489 11.734 -16.259 1.00 0.01 O ATOM 2499 CB ARG A 157 17.751 10.733 -19.131 1.00 0.01 C ATOM 2500 CG ARG A 157 17.897 9.612 -20.161 1.00 0.01 C ATOM 2501 CD ARG A 157 18.445 10.190 -21.468 1.00 0.00 C ATOM 2502 NE ARG A 157 18.286 9.188 -22.561 1.00 0.01 N ATOM 2503 CZ ARG A 157 18.404 9.559 -23.806 1.00 0.01 C ATOM 2504 NH1 ARG A 157 18.666 10.805 -24.095 1.00 0.01 N ATOM 2505 NH2 ARG A 157 18.261 8.682 -24.763 1.00 0.01 N ATOM 0 H ARG A 157 15.531 9.687 -18.343 1.00 0.01 H new ATOM 0 HA ARG A 157 18.363 9.467 -17.476 1.00 0.01 H new ATOM 0 HB2 ARG A 157 16.910 11.375 -19.393 1.00 0.01 H new ATOM 0 HB3 ARG A 157 18.643 11.360 -19.131 1.00 0.01 H new ATOM 0 HG2 ARG A 157 18.568 8.841 -19.782 1.00 0.01 H new ATOM 0 HG3 ARG A 157 16.932 9.137 -20.337 1.00 0.01 H new ATOM 0 HD2 ARG A 157 17.915 11.108 -21.722 1.00 0.00 H new ATOM 0 HD3 ARG A 157 19.497 10.451 -21.350 1.00 0.00 H new ATOM 0 HE ARG A 157 18.085 8.214 -22.335 1.00 0.01 H new ATOM 0 HH11 ARG A 157 18.779 11.489 -23.347 1.00 0.01 H new ATOM 0 HH12 ARG A 157 18.758 11.094 -25.069 1.00 0.01 H new ATOM 0 HH21 ARG A 157 18.057 7.709 -24.536 1.00 0.01 H new ATOM 0 HH22 ARG A 157 18.353 8.970 -25.737 1.00 0.01 H new ATOM 2519 N LYS A 158 16.289 11.687 -16.316 1.00 0.01 N ATOM 2520 CA LYS A 158 16.179 12.783 -15.295 1.00 0.01 C ATOM 2521 C LYS A 158 15.237 12.319 -14.167 1.00 0.01 C ATOM 2522 O LYS A 158 14.368 11.506 -14.397 1.00 0.01 O ATOM 2523 CB LYS A 158 15.592 14.029 -15.976 1.00 0.58 C ATOM 2524 CG LYS A 158 16.703 14.788 -16.711 1.00 0.97 C ATOM 2525 CD LYS A 158 16.082 15.785 -17.691 1.00 1.44 C ATOM 2526 CE LYS A 158 15.139 16.725 -16.940 1.00 2.13 C ATOM 2527 NZ LYS A 158 15.766 17.135 -15.653 1.00 2.54 N ATOM 0 H LYS A 158 15.398 11.327 -16.658 1.00 0.01 H new ATOM 0 HA LYS A 158 17.159 13.017 -14.879 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.811 13.737 -16.679 1.00 0.58 H new ATOM 0 HB3 LYS A 158 15.126 14.676 -15.233 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.334 15.313 -15.994 1.00 0.97 H new ATOM 0 HG3 LYS A 158 17.343 14.087 -17.247 1.00 0.97 H new ATOM 0 HD2 LYS A 158 16.865 16.359 -18.186 1.00 1.44 H new ATOM 0 HD3 LYS A 158 15.536 15.252 -18.470 1.00 1.44 H new ATOM 0 HE2 LYS A 158 14.924 17.604 -17.548 1.00 2.13 H new ATOM 0 HE3 LYS A 158 14.188 16.228 -16.751 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 15.449 18.093 -15.402 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 15.486 16.470 -14.903 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 16.801 17.128 -15.753 1.00 2.54 H new ATOM 2541 N PRO A 159 15.366 12.841 -12.965 1.00 0.01 N ATOM 2542 CA PRO A 159 14.444 12.437 -11.861 1.00 0.02 C ATOM 2543 C PRO A 159 12.987 12.767 -12.224 1.00 0.01 C ATOM 2544 O PRO A 159 12.080 12.029 -11.897 1.00 0.01 O ATOM 2545 CB PRO A 159 14.951 13.284 -10.674 1.00 0.41 C ATOM 2546 CG PRO A 159 15.988 14.292 -11.209 1.00 0.70 C ATOM 2547 CD PRO A 159 16.413 13.844 -12.618 1.00 0.28 C ATOM 0 HA PRO A 159 14.446 11.368 -11.648 1.00 0.02 H new ATOM 0 HB2 PRO A 159 14.121 13.808 -10.199 1.00 0.41 H new ATOM 0 HB3 PRO A 159 15.400 12.644 -9.915 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.562 15.295 -11.242 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.853 14.335 -10.547 1.00 0.70 H new ATOM 0 HD2 PRO A 159 16.427 14.676 -13.322 1.00 0.28 H new ATOM 0 HD3 PRO A 159 17.411 13.407 -12.621 1.00 0.28 H new ATOM 2555 N VAL A 160 12.748 13.864 -12.884 1.00 0.01 N ATOM 2556 CA VAL A 160 11.345 14.215 -13.247 1.00 0.02 C ATOM 2557 C VAL A 160 10.774 13.120 -14.149 1.00 0.02 C ATOM 2558 O VAL A 160 9.574 12.984 -14.289 1.00 0.02 O ATOM 2559 CB VAL A 160 11.333 15.555 -13.986 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.901 16.089 -14.053 1.00 0.86 C ATOM 2561 CG2 VAL A 160 12.215 16.557 -13.239 1.00 0.74 C ATOM 0 H VAL A 160 13.458 14.531 -13.187 1.00 0.01 H new ATOM 0 HA VAL A 160 10.737 14.297 -12.346 1.00 0.02 H new ATOM 0 HB VAL A 160 11.716 15.415 -14.997 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.893 17.043 -14.579 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.271 15.376 -14.585 1.00 0.86 H new ATOM 0 HG13 VAL A 160 9.517 16.229 -13.042 1.00 0.86 H new ATOM 0 HG21 VAL A 160 12.207 17.512 -13.765 1.00 0.74 H new ATOM 0 HG22 VAL A 160 11.832 16.696 -12.228 1.00 0.74 H new ATOM 0 HG23 VAL A 160 13.236 16.178 -13.191 1.00 0.74 H new ATOM 2571 N ASP A 161 11.613 12.338 -14.766 1.00 0.00 N ATOM 2572 CA ASP A 161 11.089 11.262 -15.648 1.00 0.01 C ATOM 2573 C ASP A 161 10.318 10.232 -14.814 1.00 0.01 C ATOM 2574 O ASP A 161 9.558 9.442 -15.338 1.00 0.01 O ATOM 2575 CB ASP A 161 12.250 10.572 -16.366 1.00 0.00 C ATOM 2576 CG ASP A 161 13.011 11.600 -17.204 1.00 0.02 C ATOM 2577 OD1 ASP A 161 12.672 12.768 -17.124 1.00 0.00 O ATOM 2578 OD2 ASP A 161 13.920 11.202 -17.914 1.00 0.00 O ATOM 0 H ASP A 161 12.629 12.396 -14.699 1.00 0.00 H new ATOM 0 HA ASP A 161 10.417 11.702 -16.385 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.919 10.111 -15.639 1.00 0.00 H new ATOM 0 HB3 ASP A 161 11.874 9.773 -17.004 1.00 0.00 H new ATOM 2583 N TRP A 162 10.485 10.252 -13.511 1.00 0.01 N ATOM 2584 CA TRP A 162 9.735 9.291 -12.639 1.00 0.01 C ATOM 2585 C TRP A 162 8.502 9.996 -12.064 1.00 0.01 C ATOM 2586 O TRP A 162 7.837 9.476 -11.190 1.00 0.01 O ATOM 2587 CB TRP A 162 10.598 8.828 -11.460 1.00 0.01 C ATOM 2588 CG TRP A 162 11.897 8.254 -11.937 1.00 0.02 C ATOM 2589 CD1 TRP A 162 12.064 7.468 -13.027 1.00 0.01 C ATOM 2590 CD2 TRP A 162 13.216 8.399 -11.333 1.00 0.01 C ATOM 2591 NE1 TRP A 162 13.401 7.126 -13.129 1.00 0.01 N ATOM 2592 CE2 TRP A 162 14.151 7.677 -12.111 1.00 0.01 C ATOM 2593 CE3 TRP A 162 13.685 9.083 -10.197 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 15.504 7.634 -11.773 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 15.045 9.042 -9.855 1.00 0.01 C ATOM 2596 CH2 TRP A 162 15.954 8.319 -10.641 1.00 0.01 C ATOM 0 H TRP A 162 11.107 10.891 -13.015 1.00 0.01 H new ATOM 0 HA TRP A 162 9.456 8.429 -13.246 1.00 0.01 H new ATOM 0 HB2 TRP A 162 10.791 9.669 -10.794 1.00 0.01 H new ATOM 0 HB3 TRP A 162 10.057 8.080 -10.881 1.00 0.01 H new ATOM 0 HD1 TRP A 162 11.282 7.159 -13.705 1.00 0.01 H new ATOM 0 HE1 TRP A 162 13.786 6.537 -13.868 1.00 0.01 H new ATOM 0 HE3 TRP A 162 12.994 9.643 -9.584 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 16.199 7.075 -12.382 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 15.394 9.571 -8.980 1.00 0.01 H new ATOM 0 HH2 TRP A 162 17.000 8.292 -10.372 1.00 0.01 H new ATOM 2607 N GLY A 163 8.167 11.157 -12.557 1.00 0.02 N ATOM 2608 CA GLY A 163 6.953 11.857 -12.048 1.00 0.01 C ATOM 2609 C GLY A 163 7.243 12.579 -10.727 1.00 0.01 C ATOM 2610 O GLY A 163 6.341 13.026 -10.046 1.00 0.01 O ATOM 0 H GLY A 163 8.680 11.650 -13.288 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.607 12.576 -12.790 1.00 0.01 H new ATOM 0 HA3 GLY A 163 6.148 11.136 -11.903 1.00 0.01 H new ATOM 2614 N ALA A 164 8.491 12.684 -10.348 1.00 0.01 N ATOM 2615 CA ALA A 164 8.837 13.360 -9.058 1.00 0.02 C ATOM 2616 C ALA A 164 9.286 14.798 -9.323 1.00 0.01 C ATOM 2617 O ALA A 164 9.979 15.084 -10.279 1.00 0.02 O ATOM 2618 CB ALA A 164 10.001 12.609 -8.408 1.00 0.01 C ATOM 0 H ALA A 164 9.288 12.330 -10.877 1.00 0.01 H new ATOM 0 HA ALA A 164 7.961 13.362 -8.409 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.264 13.091 -7.466 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.707 11.577 -8.218 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.862 12.624 -9.076 1.00 0.01 H new ATOM 2624 N ALA A 165 8.888 15.704 -8.471 1.00 0.02 N ATOM 2625 CA ALA A 165 9.277 17.132 -8.644 1.00 0.01 C ATOM 2626 C ALA A 165 10.645 17.384 -8.006 1.00 0.02 C ATOM 2627 O ALA A 165 11.225 18.439 -8.173 1.00 0.01 O ATOM 2628 CB ALA A 165 8.241 18.037 -7.974 1.00 0.59 C ATOM 0 H ALA A 165 8.305 15.514 -7.656 1.00 0.02 H new ATOM 0 HA ALA A 165 9.326 17.354 -9.710 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.531 19.080 -8.104 1.00 0.59 H new ATOM 0 HB2 ALA A 165 7.265 17.872 -8.430 1.00 0.59 H new ATOM 0 HB3 ALA A 165 8.189 17.805 -6.910 1.00 0.59 H new ATOM 2634 N SER A 166 11.176 16.429 -7.280 1.00 0.01 N ATOM 2635 CA SER A 166 12.516 16.619 -6.638 1.00 0.01 C ATOM 2636 C SER A 166 13.301 15.291 -6.692 1.00 0.02 C ATOM 2637 O SER A 166 12.705 14.232 -6.681 1.00 0.01 O ATOM 2638 CB SER A 166 12.322 17.031 -5.178 1.00 0.72 C ATOM 2639 OG SER A 166 11.331 16.201 -4.585 1.00 0.87 O ATOM 0 H SER A 166 10.738 15.525 -7.104 1.00 0.01 H new ATOM 0 HA SER A 166 13.070 17.394 -7.168 1.00 0.01 H new ATOM 0 HB2 SER A 166 13.262 16.940 -4.634 1.00 0.72 H new ATOM 0 HB3 SER A 166 12.020 18.077 -5.120 1.00 0.72 H new ATOM 0 HG SER A 166 11.205 16.460 -3.648 1.00 0.87 H new ATOM 2645 N PRO A 167 14.621 15.322 -6.732 1.00 0.02 N ATOM 2646 CA PRO A 167 15.417 14.056 -6.767 1.00 0.01 C ATOM 2647 C PRO A 167 15.482 13.371 -5.393 1.00 0.01 C ATOM 2648 O PRO A 167 16.339 12.540 -5.149 1.00 0.01 O ATOM 2649 CB PRO A 167 16.805 14.575 -7.170 1.00 0.38 C ATOM 2650 CG PRO A 167 16.867 16.056 -6.778 1.00 0.35 C ATOM 2651 CD PRO A 167 15.423 16.586 -6.755 1.00 0.22 C ATOM 0 HA PRO A 167 14.995 13.304 -7.434 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.588 14.010 -6.665 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.965 14.454 -8.241 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.335 16.175 -5.801 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.471 16.617 -7.491 1.00 0.35 H new ATOM 0 HD2 PRO A 167 15.231 17.206 -5.879 1.00 0.22 H new ATOM 0 HD3 PRO A 167 15.199 17.194 -7.631 1.00 0.22 H new ATOM 2659 N ALA A 168 14.618 13.733 -4.479 1.00 0.01 N ATOM 2660 CA ALA A 168 14.690 13.118 -3.123 1.00 0.01 C ATOM 2661 C ALA A 168 13.990 11.757 -3.090 1.00 0.01 C ATOM 2662 O ALA A 168 12.815 11.622 -3.365 1.00 0.02 O ATOM 2663 CB ALA A 168 14.015 14.047 -2.113 1.00 0.18 C ATOM 0 H ALA A 168 13.875 14.419 -4.612 1.00 0.01 H new ATOM 0 HA ALA A 168 15.740 12.973 -2.870 1.00 0.01 H new ATOM 0 HB1 ALA A 168 14.065 13.602 -1.119 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.527 15.009 -2.106 1.00 0.18 H new ATOM 0 HB3 ALA A 168 12.972 14.193 -2.393 1.00 0.18 H new ATOM 2669 N ILE A 169 14.745 10.760 -2.717 1.00 0.01 N ATOM 2670 CA ILE A 169 14.231 9.363 -2.604 1.00 0.01 C ATOM 2671 C ILE A 169 15.046 8.705 -1.480 1.00 0.01 C ATOM 2672 O ILE A 169 16.260 8.711 -1.514 1.00 0.01 O ATOM 2673 CB ILE A 169 14.448 8.656 -3.969 1.00 1.81 C ATOM 2674 CG1 ILE A 169 13.209 8.834 -4.859 1.00 2.75 C ATOM 2675 CG2 ILE A 169 14.713 7.161 -3.787 1.00 2.24 C ATOM 2676 CD1 ILE A 169 13.543 8.414 -6.293 1.00 3.99 C ATOM 0 H ILE A 169 15.731 10.860 -2.478 1.00 0.01 H new ATOM 0 HA ILE A 169 13.168 9.308 -2.370 1.00 0.01 H new ATOM 0 HB ILE A 169 15.318 9.113 -4.440 1.00 1.81 H new ATOM 0 HG12 ILE A 169 12.384 8.233 -4.476 1.00 2.75 H new ATOM 0 HG13 ILE A 169 12.882 9.874 -4.841 1.00 2.75 H new ATOM 0 HG21 ILE A 169 14.861 6.696 -4.762 1.00 2.24 H new ATOM 0 HG22 ILE A 169 15.607 7.021 -3.179 1.00 2.24 H new ATOM 0 HG23 ILE A 169 13.861 6.698 -3.290 1.00 2.24 H new ATOM 0 HD11 ILE A 169 12.663 8.541 -6.924 1.00 3.99 H new ATOM 0 HD12 ILE A 169 14.355 9.034 -6.674 1.00 3.99 H new ATOM 0 HD13 ILE A 169 13.849 7.368 -6.304 1.00 3.99 H new ATOM 2688 N GLN A 170 14.393 8.186 -0.458 1.00 0.01 N ATOM 2689 CA GLN A 170 15.140 7.584 0.700 1.00 0.01 C ATOM 2690 C GLN A 170 14.968 6.062 0.808 1.00 0.02 C ATOM 2691 O GLN A 170 15.733 5.423 1.503 1.00 0.01 O ATOM 2692 CB GLN A 170 14.641 8.225 1.995 1.00 2.62 C ATOM 2693 CG GLN A 170 15.064 9.694 2.034 1.00 3.39 C ATOM 2694 CD GLN A 170 16.575 9.788 2.262 1.00 4.36 C ATOM 2695 OE1 GLN A 170 17.152 8.958 2.934 1.00 4.83 O ATOM 2696 NE2 GLN A 170 17.243 10.771 1.725 1.00 5.17 N ATOM 0 H GLN A 170 13.377 8.154 -0.377 1.00 0.01 H new ATOM 0 HA GLN A 170 16.199 7.778 0.533 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.556 8.146 2.057 1.00 2.62 H new ATOM 0 HB3 GLN A 170 15.049 7.695 2.856 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.796 10.185 1.098 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.533 10.215 2.831 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.758 11.469 1.160 1.00 5.17 H new ATOM 0 HE22 GLN A 170 18.250 10.842 1.870 1.00 5.17 H new ATOM 2705 N SER A 171 14.013 5.437 0.166 1.00 0.01 N ATOM 2706 CA SER A 171 13.907 3.947 0.326 1.00 0.01 C ATOM 2707 C SER A 171 13.178 3.343 -0.871 1.00 0.01 C ATOM 2708 O SER A 171 12.465 4.018 -1.584 1.00 0.01 O ATOM 2709 CB SER A 171 13.135 3.626 1.603 1.00 0.01 C ATOM 2710 OG SER A 171 13.754 4.281 2.697 1.00 0.02 O ATOM 0 H SER A 171 13.321 5.873 -0.444 1.00 0.01 H new ATOM 0 HA SER A 171 14.910 3.523 0.386 1.00 0.01 H new ATOM 0 HB2 SER A 171 12.099 3.951 1.508 1.00 0.01 H new ATOM 0 HB3 SER A 171 13.117 2.549 1.771 1.00 0.01 H new ATOM 0 HG SER A 171 13.923 3.633 3.413 1.00 0.02 H new ATOM 2716 N PHE A 172 13.339 2.059 -1.092 1.00 0.01 N ATOM 2717 CA PHE A 172 12.636 1.414 -2.243 1.00 0.01 C ATOM 2718 C PHE A 172 12.387 -0.071 -1.960 1.00 0.01 C ATOM 2719 O PHE A 172 13.096 -0.703 -1.195 1.00 0.01 O ATOM 2720 CB PHE A 172 13.473 1.566 -3.518 1.00 1.06 C ATOM 2721 CG PHE A 172 14.748 0.752 -3.424 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.716 -0.635 -3.631 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.966 1.388 -3.145 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.898 -1.381 -3.554 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.147 0.639 -3.072 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.113 -0.745 -3.275 1.00 1.92 C ATOM 0 H PHE A 172 13.921 1.437 -0.531 1.00 0.01 H new ATOM 0 HA PHE A 172 11.674 1.908 -2.381 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.892 1.242 -4.381 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.717 2.617 -3.675 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.780 -1.127 -3.850 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.993 2.456 -2.986 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.872 -2.449 -3.710 1.00 1.16 H new ATOM 0 HE2 PHE A 172 18.085 1.130 -2.859 1.00 2.02 H new ATOM 0 HZ PHE A 172 18.024 -1.322 -3.216 1.00 1.92 H new ATOM 2736 N ARG A 173 11.361 -0.630 -2.561 1.00 0.01 N ATOM 2737 CA ARG A 173 11.028 -2.069 -2.326 1.00 0.01 C ATOM 2738 C ARG A 173 10.470 -2.687 -3.614 1.00 0.01 C ATOM 2739 O ARG A 173 9.834 -2.026 -4.416 1.00 0.01 O ATOM 2740 CB ARG A 173 9.956 -2.179 -1.233 1.00 0.01 C ATOM 2741 CG ARG A 173 10.576 -1.942 0.146 1.00 0.01 C ATOM 2742 CD ARG A 173 9.459 -1.791 1.185 1.00 0.01 C ATOM 2743 NE ARG A 173 8.408 -2.820 0.945 1.00 0.01 N ATOM 2744 CZ ARG A 173 7.520 -3.074 1.867 1.00 0.01 C ATOM 2745 NH1 ARG A 173 7.555 -2.430 3.002 1.00 0.01 N ATOM 2746 NH2 ARG A 173 6.599 -3.973 1.654 1.00 0.01 N ATOM 0 H ARG A 173 10.738 -0.146 -3.208 1.00 0.01 H new ATOM 0 HA ARG A 173 11.932 -2.594 -2.019 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.166 -1.450 -1.414 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.493 -3.165 -1.266 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.226 -2.775 0.413 1.00 0.01 H new ATOM 0 HG3 ARG A 173 11.196 -1.046 0.129 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.867 -1.901 2.190 1.00 0.01 H new ATOM 0 HD3 ARG A 173 9.025 -0.793 1.124 1.00 0.01 H new ATOM 0 HE ARG A 173 8.383 -3.326 0.060 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.276 -1.728 3.168 1.00 0.01 H new ATOM 0 HH12 ARG A 173 6.861 -2.629 3.723 1.00 0.01 H new ATOM 0 HH21 ARG A 173 6.573 -4.477 0.767 1.00 0.01 H new ATOM 0 HH22 ARG A 173 5.905 -4.172 2.374 1.00 0.01 H new ATOM 2760 N ARG A 174 10.693 -3.960 -3.803 1.00 0.01 N ATOM 2761 CA ARG A 174 10.172 -4.652 -5.019 1.00 0.01 C ATOM 2762 C ARG A 174 8.755 -5.173 -4.743 1.00 0.01 C ATOM 2763 O ARG A 174 8.460 -5.647 -3.663 1.00 0.01 O ATOM 2764 CB ARG A 174 11.083 -5.831 -5.367 1.00 0.01 C ATOM 2765 CG ARG A 174 11.062 -6.848 -4.226 1.00 0.01 C ATOM 2766 CD ARG A 174 12.182 -7.869 -4.432 1.00 0.01 C ATOM 2767 NE ARG A 174 12.067 -8.950 -3.414 1.00 0.01 N ATOM 2768 CZ ARG A 174 12.715 -10.071 -3.577 1.00 0.01 C ATOM 2769 NH1 ARG A 174 13.459 -10.245 -4.636 1.00 0.01 N ATOM 2770 NH2 ARG A 174 12.620 -11.017 -2.685 1.00 0.01 N ATOM 0 H ARG A 174 11.218 -4.555 -3.162 1.00 0.01 H new ATOM 0 HA ARG A 174 10.149 -3.950 -5.852 1.00 0.01 H new ATOM 0 HB2 ARG A 174 10.750 -6.301 -6.293 1.00 0.01 H new ATOM 0 HB3 ARG A 174 12.101 -5.480 -5.536 1.00 0.01 H new ATOM 0 HG2 ARG A 174 11.190 -6.340 -3.270 1.00 0.01 H new ATOM 0 HG3 ARG A 174 10.097 -7.353 -4.193 1.00 0.01 H new ATOM 0 HD2 ARG A 174 12.122 -8.292 -5.435 1.00 0.01 H new ATOM 0 HD3 ARG A 174 13.153 -7.380 -4.350 1.00 0.01 H new ATOM 0 HE ARG A 174 11.482 -8.814 -2.590 1.00 0.01 H new ATOM 0 HH11 ARG A 174 13.533 -9.505 -5.334 1.00 0.01 H new ATOM 0 HH12 ARG A 174 13.966 -11.121 -4.765 1.00 0.01 H new ATOM 0 HH21 ARG A 174 12.038 -10.882 -1.858 1.00 0.01 H new ATOM 0 HH22 ARG A 174 13.127 -11.892 -2.814 1.00 0.01 H new ATOM 2784 N ILE A 175 7.882 -5.110 -5.720 1.00 0.01 N ATOM 2785 CA ILE A 175 6.491 -5.634 -5.507 1.00 0.01 C ATOM 2786 C ILE A 175 6.425 -7.088 -5.980 1.00 0.00 C ATOM 2787 O ILE A 175 6.843 -7.410 -7.074 1.00 0.01 O ATOM 2788 CB ILE A 175 5.459 -4.808 -6.283 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.741 -3.305 -6.091 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.058 -5.146 -5.753 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.523 -2.459 -6.513 1.00 3.04 C ATOM 0 H ILE A 175 8.067 -4.724 -6.646 1.00 0.01 H new ATOM 0 HA ILE A 175 6.258 -5.565 -4.444 1.00 0.01 H new ATOM 0 HB ILE A 175 5.520 -5.043 -7.346 1.00 1.52 H new ATOM 0 HG12 ILE A 175 5.983 -3.107 -5.047 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.611 -3.016 -6.680 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.313 -4.565 -6.297 1.00 1.75 H new ATOM 0 HG22 ILE A 175 3.862 -6.209 -5.894 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.002 -4.904 -4.692 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.746 -1.402 -6.368 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.299 -2.642 -7.564 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.661 -2.734 -5.905 1.00 3.04 H new ATOM 2803 N VAL A 176 5.908 -7.973 -5.162 1.00 0.01 N ATOM 2804 CA VAL A 176 5.820 -9.416 -5.555 1.00 0.00 C ATOM 2805 C VAL A 176 4.461 -9.987 -5.141 1.00 0.01 C ATOM 2806 O VAL A 176 3.879 -9.576 -4.157 1.00 0.00 O ATOM 2807 CB VAL A 176 6.922 -10.205 -4.845 1.00 1.38 C ATOM 2808 CG1 VAL A 176 6.713 -10.126 -3.331 1.00 1.88 C ATOM 2809 CG2 VAL A 176 6.868 -11.670 -5.289 1.00 1.89 C ATOM 0 H VAL A 176 5.541 -7.757 -4.235 1.00 0.01 H new ATOM 0 HA VAL A 176 5.938 -9.497 -6.636 1.00 0.00 H new ATOM 0 HB VAL A 176 7.893 -9.781 -5.101 1.00 1.38 H new ATOM 0 HG11 VAL A 176 7.498 -10.688 -2.825 1.00 1.88 H new ATOM 0 HG12 VAL A 176 6.750 -9.084 -3.012 1.00 1.88 H new ATOM 0 HG13 VAL A 176 5.742 -10.549 -3.075 1.00 1.88 H new ATOM 0 HG21 VAL A 176 7.653 -12.233 -4.783 1.00 1.89 H new ATOM 0 HG22 VAL A 176 5.896 -12.092 -5.033 1.00 1.89 H new ATOM 0 HG23 VAL A 176 7.016 -11.729 -6.367 1.00 1.89 H new ATOM 2819 N GLU A 177 3.956 -10.934 -5.888 1.00 0.01 N ATOM 2820 CA GLU A 177 2.636 -11.549 -5.553 1.00 0.01 C ATOM 2821 C GLU A 177 2.563 -11.825 -4.046 1.00 0.01 C ATOM 2822 CB GLU A 177 2.481 -12.869 -6.318 1.00 2.15 C ATOM 2823 CG GLU A 177 2.119 -12.581 -7.780 1.00 3.19 C ATOM 2824 CD GLU A 177 0.637 -12.210 -7.880 1.00 4.20 C ATOM 2825 OE1 GLU A 177 0.028 -11.997 -6.844 1.00 4.77 O ATOM 2826 OE2 GLU A 177 0.136 -12.144 -8.991 1.00 4.89 O ATOM 0 H GLU A 177 4.405 -11.311 -6.723 1.00 0.01 H new ATOM 0 HA GLU A 177 1.836 -10.864 -5.835 1.00 0.01 H new ATOM 0 HB2 GLU A 177 3.408 -13.440 -6.269 1.00 2.15 H new ATOM 0 HB3 GLU A 177 1.706 -13.480 -5.855 1.00 2.15 H new ATOM 0 HG2 GLU A 177 2.734 -11.767 -8.164 1.00 3.19 H new ATOM 0 HG3 GLU A 177 2.327 -13.456 -8.396 1.00 3.19 H new TER 2833 GLU A 177