USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1096 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 100 THR OG1 : rot 152:sc= 1.29 USER MOD Set 1.2: A 118 TYR OH : rot 100:sc= 0.981 USER MOD Set 2.1: A 67 LYS NZ :NH3+ -166:sc= 2.35 (180deg=1.02) USER MOD Set 2.2: A 93 SER OG : rot -90:sc= 1.02 USER MOD Set 3.1: A 55 MET CE :methyl -157:sc= -0.0161 (180deg=-0.471) USER MOD Set 3.2: A 89 MET CE :methyl 161:sc= -0.0363 (180deg=-1.01) USER MOD Set 4.1: A 24 ASN : amide:sc= -5.17! K(o=-19!,f=-7.8) USER MOD Set 4.2: A 29 GLN : amide:sc= -13.6! C(o=-19!,f=-8.9!) USER MOD Set 5.1: A 20 ASN : amide:sc= -5.95! K(o=-9.6!,f=-5.6) USER MOD Set 5.2: A 32 GLN : amide:sc= -3.65 K(o=-9.6,f=-5.6!) USER MOD Single : A 1 MET CE :methyl 167:sc= -2.1 (180deg=-2.34!) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.29 (180deg=1.07) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -3.54! K(o=-3.5!,f=-0.15) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= 1.08 (180deg=0.823) USER MOD Single : A 12 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.44) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 47:sc= -2.53! USER MOD Single : A 30 THR OG1 : rot 169:sc= 0.175 USER MOD Single : A 35 ASN : amide:sc= -2.72! K(o=-2.7!,f=-0.87) USER MOD Single : A 38 GLN : amide:sc= -5.75! K(o=-5.8!,f=-1.7) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= -1.3 (180deg=-2.65!) USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00427) USER MOD Single : A 60 MET CE :methyl -166:sc= 0 (180deg=-0.152) USER MOD Single : A 69 MET CE :methyl 152:sc= -0.247 (180deg=-1.69) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= -4.17! (180deg=-5.69!) USER MOD Single : A 75 ASN : amide:sc= -3.99! K(o=-4!,f=-0.089) USER MOD Single : A 81 MET CE :methyl -125:sc= -0.333 (180deg=-1.93) USER MOD Single : A 82 THR OG1 : rot 72:sc= -2.53! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0804 K(o=-0.08,f=-2.9!) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00719) USER MOD Single : A 101 HIS : no HD1:sc= -2.43! K(o=-2.4!,f=-0.16) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= -0.106 (180deg=-0.411) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 168:sc= -0.215 (180deg=-0.302) USER MOD Single : A 122 LYS NZ :NH3+ 159:sc= 1.29 (180deg=0.924) USER MOD Single : A 123 SER OG : rot -20:sc= 0.076 USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 127 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.2!) USER MOD Single : A 128 HIS : no HE2:sc= -0.242 K(o=-0.24,f=-6.9!) USER MOD Single : A 129 HIS : no HD1:sc= -0.624 X(o=-0.62,f=-0.29) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.66 X(o=-0.66,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.927 11.548 10.556 1.00 4.70 N ATOM 2 CA MET A 1 -7.573 10.174 10.975 1.00 4.14 C ATOM 3 C MET A 1 -8.724 9.546 11.758 1.00 3.03 C ATOM 4 O MET A 1 -8.664 9.402 12.978 1.00 3.33 O ATOM 5 CB MET A 1 -6.292 10.179 11.811 1.00 4.68 C ATOM 6 CG MET A 1 -5.783 8.787 12.149 1.00 5.19 C ATOM 7 SD MET A 1 -4.258 8.820 13.104 1.00 6.18 S ATOM 8 CE MET A 1 -3.993 7.067 13.351 1.00 6.56 C ATOM 0 H1 MET A 1 -7.096 12.006 10.129 1.00 4.70 H new ATOM 0 H2 MET A 1 -8.698 11.511 9.859 1.00 4.70 H new ATOM 0 H3 MET A 1 -8.236 12.095 11.385 1.00 4.70 H new ATOM 0 HA MET A 1 -7.394 9.575 10.082 1.00 4.14 H new ATOM 0 HB2 MET A 1 -5.516 10.719 11.269 1.00 4.68 H new ATOM 0 HB3 MET A 1 -6.474 10.725 12.736 1.00 4.68 H new ATOM 0 HG2 MET A 1 -6.548 8.251 12.711 1.00 5.19 H new ATOM 0 HG3 MET A 1 -5.617 8.231 11.226 1.00 5.19 H new ATOM 0 HE1 MET A 1 -2.981 6.900 13.720 1.00 6.56 H new ATOM 0 HE2 MET A 1 -4.712 6.689 14.078 1.00 6.56 H new ATOM 0 HE3 MET A 1 -4.125 6.542 12.405 1.00 6.56 H new ATOM 20 N MET A 2 -9.788 9.213 11.049 1.00 2.15 N ATOM 21 CA MET A 2 -10.953 8.581 11.649 1.00 1.39 C ATOM 22 C MET A 2 -10.895 7.076 11.418 1.00 1.23 C ATOM 23 O MET A 2 -10.905 6.280 12.360 1.00 1.91 O ATOM 24 CB MET A 2 -12.232 9.150 11.029 1.00 1.06 C ATOM 25 CG MET A 2 -12.214 10.663 10.864 1.00 1.27 C ATOM 26 SD MET A 2 -13.723 11.296 10.114 1.00 2.00 S ATOM 27 CE MET A 2 -13.292 13.022 9.918 1.00 2.94 C ATOM 0 H MET A 2 -9.870 9.372 10.045 1.00 2.15 H new ATOM 0 HA MET A 2 -10.957 8.782 12.720 1.00 1.39 H new ATOM 0 HB2 MET A 2 -12.388 8.689 10.054 1.00 1.06 H new ATOM 0 HB3 MET A 2 -13.082 8.872 11.652 1.00 1.06 H new ATOM 0 HG2 MET A 2 -12.074 11.129 11.839 1.00 1.27 H new ATOM 0 HG3 MET A 2 -11.360 10.948 10.249 1.00 1.27 H new ATOM 0 HE1 MET A 2 -14.127 13.556 9.464 1.00 2.94 H new ATOM 0 HE2 MET A 2 -13.072 13.455 10.894 1.00 2.94 H new ATOM 0 HE3 MET A 2 -12.415 13.107 9.277 1.00 2.94 H new ATOM 37 N ASN A 3 -10.818 6.705 10.149 1.00 0.60 N ATOM 38 CA ASN A 3 -10.719 5.307 9.745 1.00 0.58 C ATOM 39 C ASN A 3 -9.822 5.187 8.517 1.00 0.41 C ATOM 40 O ASN A 3 -9.481 4.093 8.070 1.00 0.47 O ATOM 41 CB ASN A 3 -12.099 4.692 9.464 1.00 0.73 C ATOM 42 CG ASN A 3 -12.753 5.243 8.212 1.00 1.80 C ATOM 43 OD1 ASN A 3 -13.453 4.526 7.494 1.00 2.57 O ATOM 44 ND2 ASN A 3 -12.559 6.521 7.958 1.00 2.06 N ATOM 0 H ASN A 3 -10.822 7.363 9.369 1.00 0.60 H new ATOM 0 HA ASN A 3 -10.279 4.749 10.572 1.00 0.58 H new ATOM 0 HB2 ASN A 3 -11.995 3.611 9.367 1.00 0.73 H new ATOM 0 HB3 ASN A 3 -12.752 4.874 10.318 1.00 0.73 H new ATOM 0 HD21 ASN A 3 -12.995 6.951 7.142 1.00 2.06 H new ATOM 0 HD22 ASN A 3 -11.972 7.081 8.577 1.00 2.06 H new ATOM 51 N GLU A 4 -9.409 6.337 8.018 1.00 0.28 N ATOM 52 CA GLU A 4 -8.580 6.437 6.836 1.00 0.20 C ATOM 53 C GLU A 4 -7.127 6.152 7.205 1.00 0.17 C ATOM 54 O GLU A 4 -6.559 6.847 8.039 1.00 0.20 O ATOM 55 CB GLU A 4 -8.723 7.850 6.242 1.00 0.24 C ATOM 56 CG GLU A 4 -8.359 8.997 7.202 1.00 0.39 C ATOM 57 CD GLU A 4 -9.514 9.449 8.077 1.00 0.99 C ATOM 58 OE1 GLU A 4 -10.478 8.675 8.263 1.00 1.26 O ATOM 59 OE2 GLU A 4 -9.446 10.568 8.621 1.00 1.70 O ATOM 0 H GLU A 4 -9.645 7.240 8.430 1.00 0.28 H new ATOM 0 HA GLU A 4 -8.897 5.705 6.093 1.00 0.20 H new ATOM 0 HB2 GLU A 4 -8.091 7.922 5.357 1.00 0.24 H new ATOM 0 HB3 GLU A 4 -9.752 7.986 5.910 1.00 0.24 H new ATOM 0 HG2 GLU A 4 -7.535 8.678 7.840 1.00 0.39 H new ATOM 0 HG3 GLU A 4 -8.001 9.846 6.620 1.00 0.39 H new ATOM 66 N LYS A 5 -6.540 5.088 6.640 1.00 0.17 N ATOM 67 CA LYS A 5 -5.190 4.665 7.041 1.00 0.18 C ATOM 68 C LYS A 5 -4.408 3.982 5.897 1.00 0.17 C ATOM 69 O LYS A 5 -4.874 2.982 5.354 1.00 0.18 O ATOM 70 CB LYS A 5 -5.298 3.690 8.215 1.00 0.26 C ATOM 71 CG LYS A 5 -6.290 4.094 9.304 1.00 0.79 C ATOM 72 CD LYS A 5 -6.474 3.001 10.346 1.00 0.87 C ATOM 73 CE LYS A 5 -6.993 1.699 9.736 1.00 1.27 C ATOM 74 NZ LYS A 5 -8.429 1.767 9.339 1.00 1.93 N ATOM 0 H LYS A 5 -6.970 4.512 5.916 1.00 0.17 H new ATOM 0 HA LYS A 5 -4.642 5.565 7.320 1.00 0.18 H new ATOM 0 HB2 LYS A 5 -5.584 2.712 7.829 1.00 0.26 H new ATOM 0 HB3 LYS A 5 -4.312 3.579 8.666 1.00 0.26 H new ATOM 0 HG2 LYS A 5 -5.941 5.004 9.792 1.00 0.79 H new ATOM 0 HG3 LYS A 5 -7.253 4.326 8.849 1.00 0.79 H new ATOM 0 HD2 LYS A 5 -5.523 2.813 10.843 1.00 0.87 H new ATOM 0 HD3 LYS A 5 -7.171 3.345 11.110 1.00 0.87 H new ATOM 0 HE2 LYS A 5 -6.392 1.451 8.861 1.00 1.27 H new ATOM 0 HE3 LYS A 5 -6.859 0.890 10.454 1.00 1.27 H new ATOM 0 HZ1 LYS A 5 -8.663 0.949 8.740 1.00 1.93 H new ATOM 0 HZ2 LYS A 5 -9.026 1.754 10.191 1.00 1.93 H new ATOM 0 HZ3 LYS A 5 -8.601 2.645 8.809 1.00 1.93 H new ATOM 88 N ILE A 6 -3.199 4.482 5.574 1.00 0.16 N ATOM 89 CA ILE A 6 -2.331 3.866 4.543 1.00 0.15 C ATOM 90 C ILE A 6 -0.829 3.997 4.915 1.00 0.15 C ATOM 91 O ILE A 6 -0.379 5.038 5.360 1.00 0.20 O ATOM 92 CB ILE A 6 -2.524 4.512 3.149 1.00 0.17 C ATOM 93 CG1 ILE A 6 -3.976 4.417 2.680 1.00 0.18 C ATOM 94 CG2 ILE A 6 -1.603 3.849 2.132 1.00 0.18 C ATOM 95 CD1 ILE A 6 -4.245 5.205 1.418 1.00 0.19 C ATOM 0 H ILE A 6 -2.798 5.312 6.011 1.00 0.16 H new ATOM 0 HA ILE A 6 -2.625 2.817 4.503 1.00 0.15 H new ATOM 0 HB ILE A 6 -2.269 5.568 3.234 1.00 0.17 H new ATOM 0 HG12 ILE A 6 -4.228 3.371 2.508 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.632 4.777 3.473 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -1.747 4.311 1.155 1.00 0.18 H new ATOM 0 HG22 ILE A 6 -0.566 3.975 2.444 1.00 0.18 H new ATOM 0 HG23 ILE A 6 -1.836 2.786 2.069 1.00 0.18 H new ATOM 0 HD11 ILE A 6 -5.293 5.097 1.138 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -4.023 6.258 1.592 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -3.613 4.829 0.613 1.00 0.19 H new ATOM 107 N LEU A 7 -0.046 2.961 4.684 1.00 0.14 N ATOM 108 CA LEU A 7 1.366 2.986 5.054 1.00 0.16 C ATOM 109 C LEU A 7 2.248 2.841 3.817 1.00 0.25 C ATOM 110 O LEU A 7 2.257 1.794 3.197 1.00 0.59 O ATOM 111 CB LEU A 7 1.658 1.850 6.038 1.00 0.23 C ATOM 112 CG LEU A 7 2.824 2.092 7.002 1.00 0.27 C ATOM 113 CD1 LEU A 7 4.147 2.172 6.260 1.00 0.69 C ATOM 114 CD2 LEU A 7 2.590 3.362 7.791 1.00 0.47 C ATOM 0 H LEU A 7 -0.356 2.094 4.245 1.00 0.14 H new ATOM 0 HA LEU A 7 1.588 3.943 5.526 1.00 0.16 H new ATOM 0 HB2 LEU A 7 0.759 1.661 6.624 1.00 0.23 H new ATOM 0 HB3 LEU A 7 1.863 0.944 5.468 1.00 0.23 H new ATOM 0 HG LEU A 7 2.875 1.247 7.689 1.00 0.27 H new ATOM 0 HD11 LEU A 7 4.954 2.344 6.972 1.00 0.69 H new ATOM 0 HD12 LEU A 7 4.324 1.236 5.730 1.00 0.69 H new ATOM 0 HD13 LEU A 7 4.114 2.993 5.544 1.00 0.69 H new ATOM 0 HD21 LEU A 7 3.424 3.525 8.473 1.00 0.47 H new ATOM 0 HD22 LEU A 7 2.511 4.206 7.106 1.00 0.47 H new ATOM 0 HD23 LEU A 7 1.666 3.270 8.362 1.00 0.47 H new ATOM 126 N ILE A 8 3.002 3.879 3.474 1.00 0.19 N ATOM 127 CA ILE A 8 3.854 3.840 2.282 1.00 0.19 C ATOM 128 C ILE A 8 5.313 3.576 2.672 1.00 0.19 C ATOM 129 O ILE A 8 5.943 4.389 3.354 1.00 0.24 O ATOM 130 CB ILE A 8 3.786 5.160 1.472 1.00 0.22 C ATOM 131 CG1 ILE A 8 2.347 5.491 1.062 1.00 0.23 C ATOM 132 CG2 ILE A 8 4.661 5.054 0.231 1.00 0.28 C ATOM 133 CD1 ILE A 8 1.505 6.107 2.161 1.00 0.20 C ATOM 0 H ILE A 8 3.044 4.754 3.997 1.00 0.19 H new ATOM 0 HA ILE A 8 3.479 3.030 1.656 1.00 0.19 H new ATOM 0 HB ILE A 8 4.151 5.964 2.111 1.00 0.22 H new ATOM 0 HG12 ILE A 8 2.373 6.176 0.215 1.00 0.23 H new ATOM 0 HG13 ILE A 8 1.861 4.577 0.719 1.00 0.23 H new ATOM 0 HG21 ILE A 8 4.608 5.986 -0.333 1.00 0.28 H new ATOM 0 HG22 ILE A 8 5.693 4.868 0.528 1.00 0.28 H new ATOM 0 HG23 ILE A 8 4.310 4.232 -0.393 1.00 0.28 H new ATOM 0 HD11 ILE A 8 0.503 6.308 1.782 1.00 0.20 H new ATOM 0 HD12 ILE A 8 1.443 5.417 3.002 1.00 0.20 H new ATOM 0 HD13 ILE A 8 1.962 7.040 2.490 1.00 0.20 H new ATOM 145 N VAL A 9 5.843 2.443 2.231 1.00 0.19 N ATOM 146 CA VAL A 9 7.196 2.026 2.582 1.00 0.19 C ATOM 147 C VAL A 9 8.143 2.147 1.401 1.00 0.19 C ATOM 148 O VAL A 9 8.071 1.351 0.465 1.00 0.22 O ATOM 149 CB VAL A 9 7.229 0.557 3.045 1.00 0.20 C ATOM 150 CG1 VAL A 9 8.586 0.207 3.642 1.00 0.23 C ATOM 151 CG2 VAL A 9 6.108 0.275 4.031 1.00 0.21 C ATOM 0 H VAL A 9 5.351 1.789 1.623 1.00 0.19 H new ATOM 0 HA VAL A 9 7.514 2.687 3.389 1.00 0.19 H new ATOM 0 HB VAL A 9 7.074 -0.077 2.172 1.00 0.20 H new ATOM 0 HG11 VAL A 9 8.585 -0.835 3.962 1.00 0.23 H new ATOM 0 HG12 VAL A 9 9.363 0.356 2.892 1.00 0.23 H new ATOM 0 HG13 VAL A 9 8.783 0.850 4.500 1.00 0.23 H new ATOM 0 HG21 VAL A 9 6.152 -0.768 4.343 1.00 0.21 H new ATOM 0 HG22 VAL A 9 6.219 0.920 4.903 1.00 0.21 H new ATOM 0 HG23 VAL A 9 5.147 0.471 3.555 1.00 0.21 H new ATOM 161 N ASP A 10 9.027 3.131 1.458 1.00 0.21 N ATOM 162 CA ASP A 10 10.090 3.283 0.481 1.00 0.30 C ATOM 163 C ASP A 10 11.008 4.401 0.961 1.00 0.42 C ATOM 164 O ASP A 10 10.612 5.199 1.802 1.00 0.83 O ATOM 165 CB ASP A 10 9.496 3.532 -0.912 1.00 0.45 C ATOM 166 CG ASP A 10 10.451 4.131 -1.918 1.00 1.13 C ATOM 167 OD1 ASP A 10 11.642 3.770 -1.943 1.00 1.63 O ATOM 168 OD2 ASP A 10 9.998 5.004 -2.673 1.00 1.84 O ATOM 0 H ASP A 10 9.026 3.847 2.185 1.00 0.21 H new ATOM 0 HA ASP A 10 10.684 2.374 0.389 1.00 0.30 H new ATOM 0 HB2 ASP A 10 9.124 2.586 -1.306 1.00 0.45 H new ATOM 0 HB3 ASP A 10 8.637 4.195 -0.810 1.00 0.45 H new ATOM 173 N ASP A 11 12.245 4.426 0.514 1.00 0.29 N ATOM 174 CA ASP A 11 13.185 5.398 1.032 1.00 0.36 C ATOM 175 C ASP A 11 13.329 6.613 0.114 1.00 0.38 C ATOM 176 O ASP A 11 14.327 7.333 0.177 1.00 0.73 O ATOM 177 CB ASP A 11 14.542 4.723 1.255 1.00 0.48 C ATOM 178 CG ASP A 11 15.502 5.550 2.093 1.00 0.63 C ATOM 179 OD1 ASP A 11 15.247 5.725 3.303 1.00 0.77 O ATOM 180 OD2 ASP A 11 16.504 6.054 1.542 1.00 0.74 O ATOM 0 H ASP A 11 12.620 3.796 -0.195 1.00 0.29 H new ATOM 0 HA ASP A 11 12.798 5.769 1.981 1.00 0.36 H new ATOM 0 HB2 ASP A 11 14.384 3.761 1.742 1.00 0.48 H new ATOM 0 HB3 ASP A 11 15.000 4.519 0.287 1.00 0.48 H new ATOM 185 N GLN A 12 12.340 6.863 -0.736 1.00 0.56 N ATOM 186 CA GLN A 12 12.333 8.109 -1.491 1.00 0.60 C ATOM 187 C GLN A 12 12.195 9.277 -0.519 1.00 0.54 C ATOM 188 O GLN A 12 11.159 9.446 0.131 1.00 0.66 O ATOM 189 CB GLN A 12 11.237 8.155 -2.559 1.00 0.83 C ATOM 190 CG GLN A 12 11.445 7.177 -3.711 1.00 1.01 C ATOM 191 CD GLN A 12 12.904 6.960 -4.067 1.00 1.87 C ATOM 192 OE1 GLN A 12 13.483 7.704 -4.858 1.00 2.56 O ATOM 193 NE2 GLN A 12 13.494 5.908 -3.516 1.00 2.51 N ATOM 0 H GLN A 12 11.554 6.239 -0.917 1.00 0.56 H new ATOM 0 HA GLN A 12 13.278 8.179 -2.030 1.00 0.60 H new ATOM 0 HB2 GLN A 12 10.277 7.945 -2.088 1.00 0.83 H new ATOM 0 HB3 GLN A 12 11.180 9.166 -2.962 1.00 0.83 H new ATOM 0 HG2 GLN A 12 10.997 6.219 -3.448 1.00 1.01 H new ATOM 0 HG3 GLN A 12 10.916 7.546 -4.590 1.00 1.01 H new ATOM 0 HE21 GLN A 12 12.978 5.317 -2.865 1.00 2.51 H new ATOM 0 HE22 GLN A 12 14.464 5.690 -3.743 1.00 2.51 H new ATOM 202 N TYR A 13 13.252 10.076 -0.471 1.00 0.55 N ATOM 203 CA TYR A 13 13.506 11.056 0.580 1.00 0.60 C ATOM 204 C TYR A 13 12.288 11.896 0.971 1.00 0.51 C ATOM 205 O TYR A 13 12.000 12.057 2.157 1.00 0.61 O ATOM 206 CB TYR A 13 14.647 11.946 0.097 1.00 0.75 C ATOM 207 CG TYR A 13 14.883 13.192 0.914 1.00 1.43 C ATOM 208 CD1 TYR A 13 15.530 13.131 2.138 1.00 1.81 C ATOM 209 CD2 TYR A 13 14.478 14.433 0.445 1.00 2.25 C ATOM 210 CE1 TYR A 13 15.768 14.273 2.874 1.00 2.61 C ATOM 211 CE2 TYR A 13 14.706 15.579 1.175 1.00 3.15 C ATOM 212 CZ TYR A 13 15.354 15.494 2.388 1.00 3.23 C ATOM 213 OH TYR A 13 15.601 16.638 3.113 1.00 4.16 O ATOM 0 H TYR A 13 13.981 10.061 -1.185 1.00 0.55 H new ATOM 0 HA TYR A 13 13.765 10.518 1.492 1.00 0.60 H new ATOM 0 HB2 TYR A 13 15.565 11.358 0.087 1.00 0.75 H new ATOM 0 HB3 TYR A 13 14.446 12.240 -0.933 1.00 0.75 H new ATOM 0 HD1 TYR A 13 15.853 12.174 2.522 1.00 1.81 H new ATOM 0 HD2 TYR A 13 13.975 14.502 -0.508 1.00 2.25 H new ATOM 0 HE1 TYR A 13 16.276 14.211 3.825 1.00 2.61 H new ATOM 0 HE2 TYR A 13 14.379 16.537 0.799 1.00 3.15 H new ATOM 0 HH TYR A 13 15.246 17.414 2.631 1.00 4.16 H new ATOM 223 N GLY A 14 11.567 12.419 -0.005 1.00 0.43 N ATOM 224 CA GLY A 14 10.494 13.332 0.317 1.00 0.39 C ATOM 225 C GLY A 14 9.190 12.976 -0.345 1.00 0.37 C ATOM 226 O GLY A 14 8.284 13.794 -0.395 1.00 0.45 O ATOM 0 H GLY A 14 11.701 12.232 -0.999 1.00 0.43 H new ATOM 0 HA2 GLY A 14 10.352 13.348 1.398 1.00 0.39 H new ATOM 0 HA3 GLY A 14 10.782 14.340 0.018 1.00 0.39 H new ATOM 230 N ILE A 15 9.072 11.751 -0.828 1.00 0.37 N ATOM 231 CA ILE A 15 7.858 11.342 -1.519 1.00 0.38 C ATOM 232 C ILE A 15 6.868 10.726 -0.540 1.00 0.30 C ATOM 233 O ILE A 15 5.669 11.015 -0.578 1.00 0.31 O ATOM 234 CB ILE A 15 8.160 10.342 -2.654 1.00 0.50 C ATOM 235 CG1 ILE A 15 9.273 10.886 -3.557 1.00 0.63 C ATOM 236 CG2 ILE A 15 6.900 10.066 -3.464 1.00 0.56 C ATOM 237 CD1 ILE A 15 8.912 12.167 -4.280 1.00 0.95 C ATOM 0 H ILE A 15 9.790 11.030 -0.757 1.00 0.37 H new ATOM 0 HA ILE A 15 7.418 12.236 -1.961 1.00 0.38 H new ATOM 0 HB ILE A 15 8.499 9.404 -2.215 1.00 0.50 H new ATOM 0 HG12 ILE A 15 10.163 11.061 -2.953 1.00 0.63 H new ATOM 0 HG13 ILE A 15 9.532 10.126 -4.294 1.00 0.63 H new ATOM 0 HG21 ILE A 15 7.128 9.359 -4.262 1.00 0.56 H new ATOM 0 HG22 ILE A 15 6.134 9.645 -2.813 1.00 0.56 H new ATOM 0 HG23 ILE A 15 6.535 10.997 -3.898 1.00 0.56 H new ATOM 0 HD11 ILE A 15 9.752 12.486 -4.897 1.00 0.95 H new ATOM 0 HD12 ILE A 15 8.041 11.995 -4.913 1.00 0.95 H new ATOM 0 HD13 ILE A 15 8.682 12.944 -3.551 1.00 0.95 H new ATOM 249 N ARG A 16 7.373 9.898 0.369 1.00 0.30 N ATOM 250 CA ARG A 16 6.504 9.245 1.346 1.00 0.35 C ATOM 251 C ARG A 16 5.877 10.265 2.285 1.00 0.33 C ATOM 252 O ARG A 16 4.830 10.009 2.867 1.00 0.43 O ATOM 253 CB ARG A 16 7.238 8.168 2.146 1.00 0.49 C ATOM 254 CG ARG A 16 7.343 6.835 1.431 1.00 0.58 C ATOM 255 CD ARG A 16 8.642 6.730 0.677 1.00 0.82 C ATOM 256 NE ARG A 16 8.507 6.323 -0.735 1.00 1.64 N ATOM 257 CZ ARG A 16 7.577 6.724 -1.620 1.00 2.17 C ATOM 258 NH1 ARG A 16 6.569 7.519 -1.282 1.00 2.49 N ATOM 259 NH2 ARG A 16 7.678 6.300 -2.872 1.00 2.91 N ATOM 0 H ARG A 16 8.363 9.665 0.451 1.00 0.30 H new ATOM 0 HA ARG A 16 5.712 8.752 0.782 1.00 0.35 H new ATOM 0 HB2 ARG A 16 8.241 8.524 2.380 1.00 0.49 H new ATOM 0 HB3 ARG A 16 6.723 8.020 3.095 1.00 0.49 H new ATOM 0 HG2 ARG A 16 7.271 6.023 2.155 1.00 0.58 H new ATOM 0 HG3 ARG A 16 6.507 6.721 0.741 1.00 0.58 H new ATOM 0 HD2 ARG A 16 9.147 7.695 0.716 1.00 0.82 H new ATOM 0 HD3 ARG A 16 9.285 6.013 1.187 1.00 0.82 H new ATOM 0 HE ARG A 16 9.201 5.660 -1.080 1.00 1.64 H new ATOM 0 HH11 ARG A 16 6.479 7.848 -0.321 1.00 2.49 H new ATOM 0 HH12 ARG A 16 5.884 7.801 -1.984 1.00 2.49 H new ATOM 0 HH21 ARG A 16 8.446 5.686 -3.142 1.00 2.91 H new ATOM 0 HH22 ARG A 16 6.987 6.588 -3.565 1.00 2.91 H new ATOM 273 N ILE A 17 6.504 11.431 2.408 1.00 0.27 N ATOM 274 CA ILE A 17 5.976 12.484 3.260 1.00 0.29 C ATOM 275 C ILE A 17 4.969 13.327 2.479 1.00 0.32 C ATOM 276 O ILE A 17 4.011 13.861 3.049 1.00 0.34 O ATOM 277 CB ILE A 17 7.104 13.371 3.836 1.00 0.32 C ATOM 278 CG1 ILE A 17 6.546 14.344 4.877 1.00 0.40 C ATOM 279 CG2 ILE A 17 7.824 14.127 2.731 1.00 0.39 C ATOM 280 CD1 ILE A 17 5.907 13.657 6.064 1.00 0.68 C ATOM 0 H ILE A 17 7.374 11.667 1.930 1.00 0.27 H new ATOM 0 HA ILE A 17 5.470 12.016 4.105 1.00 0.29 H new ATOM 0 HB ILE A 17 7.828 12.719 4.325 1.00 0.32 H new ATOM 0 HG12 ILE A 17 7.352 14.987 5.230 1.00 0.40 H new ATOM 0 HG13 ILE A 17 5.808 14.990 4.401 1.00 0.40 H new ATOM 0 HG21 ILE A 17 8.612 14.743 3.165 1.00 0.39 H new ATOM 0 HG22 ILE A 17 8.263 13.417 2.030 1.00 0.39 H new ATOM 0 HG23 ILE A 17 7.114 14.765 2.204 1.00 0.39 H new ATOM 0 HD11 ILE A 17 5.534 14.407 6.761 1.00 0.68 H new ATOM 0 HD12 ILE A 17 5.079 13.035 5.722 1.00 0.68 H new ATOM 0 HD13 ILE A 17 6.647 13.033 6.565 1.00 0.68 H new ATOM 292 N LEU A 18 5.175 13.418 1.162 1.00 0.34 N ATOM 293 CA LEU A 18 4.197 14.064 0.290 1.00 0.43 C ATOM 294 C LEU A 18 2.857 13.400 0.488 1.00 0.33 C ATOM 295 O LEU A 18 1.842 14.064 0.672 1.00 0.32 O ATOM 296 CB LEU A 18 4.575 13.945 -1.189 1.00 0.63 C ATOM 297 CG LEU A 18 5.856 14.648 -1.622 1.00 0.76 C ATOM 298 CD1 LEU A 18 6.067 14.466 -3.116 1.00 1.49 C ATOM 299 CD2 LEU A 18 5.809 16.125 -1.262 1.00 1.34 C ATOM 0 H LEU A 18 6.000 13.057 0.683 1.00 0.34 H new ATOM 0 HA LEU A 18 4.166 15.122 0.552 1.00 0.43 H new ATOM 0 HB2 LEU A 18 4.667 12.887 -1.434 1.00 0.63 H new ATOM 0 HB3 LEU A 18 3.751 14.339 -1.784 1.00 0.63 H new ATOM 0 HG LEU A 18 6.697 14.200 -1.092 1.00 0.76 H new ATOM 0 HD11 LEU A 18 6.984 14.971 -3.418 1.00 1.49 H new ATOM 0 HD12 LEU A 18 6.145 13.403 -3.346 1.00 1.49 H new ATOM 0 HD13 LEU A 18 5.223 14.893 -3.657 1.00 1.49 H new ATOM 0 HD21 LEU A 18 6.734 16.607 -1.580 1.00 1.34 H new ATOM 0 HD22 LEU A 18 4.963 16.595 -1.764 1.00 1.34 H new ATOM 0 HD23 LEU A 18 5.696 16.233 -0.183 1.00 1.34 H new ATOM 311 N LEU A 19 2.883 12.070 0.516 1.00 0.31 N ATOM 312 CA LEU A 19 1.674 11.285 0.728 1.00 0.29 C ATOM 313 C LEU A 19 0.978 11.682 2.024 1.00 0.20 C ATOM 314 O LEU A 19 -0.250 11.663 2.099 1.00 0.17 O ATOM 315 CB LEU A 19 1.986 9.786 0.762 1.00 0.37 C ATOM 316 CG LEU A 19 1.966 9.062 -0.589 1.00 0.55 C ATOM 317 CD1 LEU A 19 0.628 9.262 -1.279 1.00 1.32 C ATOM 318 CD2 LEU A 19 3.104 9.531 -1.479 1.00 1.07 C ATOM 0 H LEU A 19 3.730 11.515 0.394 1.00 0.31 H new ATOM 0 HA LEU A 19 1.009 11.492 -0.111 1.00 0.29 H new ATOM 0 HB2 LEU A 19 2.971 9.651 1.209 1.00 0.37 H new ATOM 0 HB3 LEU A 19 1.267 9.301 1.422 1.00 0.37 H new ATOM 0 HG LEU A 19 2.105 7.997 -0.404 1.00 0.55 H new ATOM 0 HD11 LEU A 19 0.631 8.741 -2.237 1.00 1.32 H new ATOM 0 HD12 LEU A 19 -0.168 8.862 -0.651 1.00 1.32 H new ATOM 0 HD13 LEU A 19 0.460 10.326 -1.445 1.00 1.32 H new ATOM 0 HD21 LEU A 19 3.064 9.000 -2.430 1.00 1.07 H new ATOM 0 HD22 LEU A 19 3.009 10.602 -1.657 1.00 1.07 H new ATOM 0 HD23 LEU A 19 4.056 9.328 -0.989 1.00 1.07 H new ATOM 330 N ASN A 20 1.759 12.053 3.038 1.00 0.20 N ATOM 331 CA ASN A 20 1.188 12.427 4.329 1.00 0.18 C ATOM 332 C ASN A 20 0.407 13.721 4.184 1.00 0.19 C ATOM 333 O ASN A 20 -0.751 13.808 4.578 1.00 0.20 O ATOM 334 CB ASN A 20 2.254 12.597 5.418 1.00 0.22 C ATOM 335 CG ASN A 20 2.921 11.300 5.813 1.00 0.21 C ATOM 336 OD1 ASN A 20 3.303 11.122 6.966 1.00 0.28 O ATOM 337 ND2 ASN A 20 3.075 10.386 4.870 1.00 0.18 N ATOM 0 H ASN A 20 2.777 12.102 2.991 1.00 0.20 H new ATOM 0 HA ASN A 20 0.531 11.614 4.639 1.00 0.18 H new ATOM 0 HB2 ASN A 20 3.014 13.295 5.066 1.00 0.22 H new ATOM 0 HB3 ASN A 20 1.794 13.044 6.300 1.00 0.22 H new ATOM 0 HD21 ASN A 20 3.524 9.497 5.090 1.00 0.18 H new ATOM 0 HD22 ASN A 20 2.745 10.570 3.923 1.00 0.18 H new ATOM 344 N GLU A 21 1.034 14.719 3.586 1.00 0.25 N ATOM 345 CA GLU A 21 0.380 16.008 3.405 1.00 0.30 C ATOM 346 C GLU A 21 -0.859 15.881 2.522 1.00 0.28 C ATOM 347 O GLU A 21 -1.820 16.627 2.690 1.00 0.34 O ATOM 348 CB GLU A 21 1.351 17.038 2.824 1.00 0.38 C ATOM 349 CG GLU A 21 2.526 17.335 3.738 1.00 0.58 C ATOM 350 CD GLU A 21 3.380 18.480 3.237 1.00 1.35 C ATOM 351 OE1 GLU A 21 3.001 19.649 3.459 1.00 1.93 O ATOM 352 OE2 GLU A 21 4.435 18.219 2.625 1.00 2.02 O ATOM 0 H GLU A 21 1.985 14.666 3.220 1.00 0.25 H new ATOM 0 HA GLU A 21 0.060 16.355 4.387 1.00 0.30 H new ATOM 0 HB2 GLU A 21 1.726 16.675 1.867 1.00 0.38 H new ATOM 0 HB3 GLU A 21 0.812 17.964 2.624 1.00 0.38 H new ATOM 0 HG2 GLU A 21 2.155 17.573 4.735 1.00 0.58 H new ATOM 0 HG3 GLU A 21 3.143 16.441 3.832 1.00 0.58 H new ATOM 359 N VAL A 22 -0.841 14.932 1.590 1.00 0.28 N ATOM 360 CA VAL A 22 -2.001 14.697 0.732 1.00 0.32 C ATOM 361 C VAL A 22 -3.150 14.072 1.517 1.00 0.31 C ATOM 362 O VAL A 22 -4.283 14.553 1.480 1.00 0.47 O ATOM 363 CB VAL A 22 -1.685 13.752 -0.451 1.00 0.43 C ATOM 364 CG1 VAL A 22 -2.848 13.716 -1.434 1.00 0.78 C ATOM 365 CG2 VAL A 22 -0.402 14.143 -1.161 1.00 0.63 C ATOM 0 H VAL A 22 -0.046 14.319 1.410 1.00 0.28 H new ATOM 0 HA VAL A 22 -2.280 15.678 0.348 1.00 0.32 H new ATOM 0 HB VAL A 22 -1.540 12.753 -0.039 1.00 0.43 H new ATOM 0 HG11 VAL A 22 -2.606 13.046 -2.259 1.00 0.78 H new ATOM 0 HG12 VAL A 22 -3.743 13.358 -0.926 1.00 0.78 H new ATOM 0 HG13 VAL A 22 -3.028 14.719 -1.822 1.00 0.78 H new ATOM 0 HG21 VAL A 22 -0.217 13.454 -1.985 1.00 0.63 H new ATOM 0 HG22 VAL A 22 -0.496 15.157 -1.550 1.00 0.63 H new ATOM 0 HG23 VAL A 22 0.430 14.100 -0.458 1.00 0.63 H new ATOM 375 N PHE A 23 -2.854 12.993 2.231 1.00 0.22 N ATOM 376 CA PHE A 23 -3.901 12.163 2.804 1.00 0.20 C ATOM 377 C PHE A 23 -3.919 12.175 4.328 1.00 0.18 C ATOM 378 O PHE A 23 -4.978 12.274 4.920 1.00 0.20 O ATOM 379 CB PHE A 23 -3.758 10.721 2.319 1.00 0.24 C ATOM 380 CG PHE A 23 -4.036 10.527 0.859 1.00 0.27 C ATOM 381 CD1 PHE A 23 -5.337 10.529 0.387 1.00 0.33 C ATOM 382 CD2 PHE A 23 -3.000 10.331 -0.038 1.00 0.42 C ATOM 383 CE1 PHE A 23 -5.601 10.338 -0.955 1.00 0.38 C ATOM 384 CE2 PHE A 23 -3.257 10.140 -1.382 1.00 0.46 C ATOM 385 CZ PHE A 23 -4.560 10.144 -1.841 1.00 0.38 C ATOM 0 H PHE A 23 -1.904 12.676 2.425 1.00 0.22 H new ATOM 0 HA PHE A 23 -4.844 12.592 2.465 1.00 0.20 H new ATOM 0 HB2 PHE A 23 -2.746 10.378 2.532 1.00 0.24 H new ATOM 0 HB3 PHE A 23 -4.436 10.089 2.892 1.00 0.24 H new ATOM 0 HD1 PHE A 23 -6.155 10.682 1.076 1.00 0.33 H new ATOM 0 HD2 PHE A 23 -1.980 10.327 0.317 1.00 0.42 H new ATOM 0 HE1 PHE A 23 -6.621 10.340 -1.311 1.00 0.38 H new ATOM 0 HE2 PHE A 23 -2.441 9.988 -2.073 1.00 0.46 H new ATOM 0 HZ PHE A 23 -4.764 9.996 -2.891 1.00 0.38 H new ATOM 395 N ASN A 24 -2.757 12.070 4.949 1.00 0.17 N ATOM 396 CA ASN A 24 -2.642 11.836 6.399 1.00 0.20 C ATOM 397 C ASN A 24 -3.546 12.742 7.229 1.00 0.23 C ATOM 398 O ASN A 24 -4.027 12.342 8.289 1.00 0.28 O ATOM 399 CB ASN A 24 -1.191 12.019 6.811 1.00 0.20 C ATOM 400 CG ASN A 24 -0.843 11.379 8.140 1.00 0.18 C ATOM 401 OD1 ASN A 24 -0.982 11.979 9.205 1.00 0.19 O ATOM 402 ND2 ASN A 24 -0.377 10.146 8.065 1.00 0.19 N ATOM 0 H ASN A 24 -1.859 12.143 4.471 1.00 0.17 H new ATOM 0 HA ASN A 24 -2.974 10.817 6.596 1.00 0.20 H new ATOM 0 HB2 ASN A 24 -0.548 11.599 6.037 1.00 0.20 H new ATOM 0 HB3 ASN A 24 -0.971 13.085 6.864 1.00 0.20 H new ATOM 0 HD21 ASN A 24 -0.114 9.648 8.915 1.00 0.19 H new ATOM 0 HD22 ASN A 24 -0.280 9.692 7.157 1.00 0.19 H new ATOM 409 N LYS A 25 -3.782 13.951 6.753 1.00 0.25 N ATOM 410 CA LYS A 25 -4.653 14.878 7.454 1.00 0.32 C ATOM 411 C LYS A 25 -6.138 14.706 7.101 1.00 0.30 C ATOM 412 O LYS A 25 -6.996 14.781 7.983 1.00 0.38 O ATOM 413 CB LYS A 25 -4.181 16.312 7.211 1.00 0.45 C ATOM 414 CG LYS A 25 -3.793 16.587 5.767 1.00 0.51 C ATOM 415 CD LYS A 25 -2.905 17.817 5.651 1.00 1.10 C ATOM 416 CE LYS A 25 -1.602 17.642 6.420 1.00 1.44 C ATOM 417 NZ LYS A 25 -0.816 18.902 6.494 1.00 1.75 N ATOM 0 H LYS A 25 -3.384 14.314 5.887 1.00 0.25 H new ATOM 0 HA LYS A 25 -4.582 14.649 8.517 1.00 0.32 H new ATOM 0 HB2 LYS A 25 -4.973 17.001 7.503 1.00 0.45 H new ATOM 0 HB3 LYS A 25 -3.326 16.518 7.854 1.00 0.45 H new ATOM 0 HG2 LYS A 25 -3.272 15.721 5.358 1.00 0.51 H new ATOM 0 HG3 LYS A 25 -4.693 16.729 5.168 1.00 0.51 H new ATOM 0 HD2 LYS A 25 -2.685 18.010 4.601 1.00 1.10 H new ATOM 0 HD3 LYS A 25 -3.438 18.689 6.031 1.00 1.10 H new ATOM 0 HE2 LYS A 25 -1.822 17.294 7.429 1.00 1.44 H new ATOM 0 HE3 LYS A 25 -1.001 16.869 5.941 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 0.061 18.733 7.026 1.00 1.75 H new ATOM 0 HZ2 LYS A 25 -0.581 19.222 5.533 1.00 1.75 H new ATOM 0 HZ3 LYS A 25 -1.377 19.634 6.975 1.00 1.75 H new ATOM 431 N GLU A 26 -6.446 14.479 5.824 1.00 0.29 N ATOM 432 CA GLU A 26 -7.845 14.438 5.376 1.00 0.35 C ATOM 433 C GLU A 26 -8.198 13.167 4.591 1.00 0.33 C ATOM 434 O GLU A 26 -9.324 12.675 4.670 1.00 0.45 O ATOM 435 CB GLU A 26 -8.133 15.660 4.507 1.00 0.43 C ATOM 436 CG GLU A 26 -7.109 15.859 3.400 1.00 0.42 C ATOM 437 CD GLU A 26 -7.507 16.946 2.422 1.00 0.54 C ATOM 438 OE1 GLU A 26 -7.653 18.113 2.840 1.00 0.61 O ATOM 439 OE2 GLU A 26 -7.693 16.631 1.228 1.00 0.75 O ATOM 0 H GLU A 26 -5.758 14.322 5.087 1.00 0.29 H new ATOM 0 HA GLU A 26 -8.463 14.438 6.274 1.00 0.35 H new ATOM 0 HB2 GLU A 26 -9.123 15.558 4.064 1.00 0.43 H new ATOM 0 HB3 GLU A 26 -8.156 16.549 5.137 1.00 0.43 H new ATOM 0 HG2 GLU A 26 -6.145 16.110 3.843 1.00 0.42 H new ATOM 0 HG3 GLU A 26 -6.977 14.921 2.860 1.00 0.42 H new ATOM 446 N GLY A 27 -7.251 12.660 3.818 1.00 0.25 N ATOM 447 CA GLY A 27 -7.503 11.508 2.975 1.00 0.26 C ATOM 448 C GLY A 27 -7.392 10.189 3.714 1.00 0.20 C ATOM 449 O GLY A 27 -8.380 9.472 3.845 1.00 0.22 O ATOM 0 H GLY A 27 -6.302 13.030 3.759 1.00 0.25 H new ATOM 0 HA2 GLY A 27 -8.501 11.593 2.545 1.00 0.26 H new ATOM 0 HA3 GLY A 27 -6.796 11.512 2.145 1.00 0.26 H new ATOM 453 N TYR A 28 -6.184 9.868 4.181 1.00 0.22 N ATOM 454 CA TYR A 28 -5.908 8.625 4.907 1.00 0.17 C ATOM 455 C TYR A 28 -4.708 8.801 5.810 1.00 0.31 C ATOM 456 O TYR A 28 -3.917 9.679 5.597 1.00 0.84 O ATOM 457 CB TYR A 28 -5.584 7.460 3.976 1.00 0.19 C ATOM 458 CG TYR A 28 -6.718 7.025 3.080 1.00 0.26 C ATOM 459 CD1 TYR A 28 -7.648 6.080 3.500 1.00 0.36 C ATOM 460 CD2 TYR A 28 -6.858 7.563 1.809 1.00 0.32 C ATOM 461 CE1 TYR A 28 -8.680 5.685 2.675 1.00 0.47 C ATOM 462 CE2 TYR A 28 -7.886 7.173 0.980 1.00 0.42 C ATOM 463 CZ TYR A 28 -8.812 6.218 1.449 1.00 0.50 C ATOM 464 OH TYR A 28 -9.811 5.842 0.589 1.00 0.62 O ATOM 0 H TYR A 28 -5.365 10.465 4.066 1.00 0.22 H new ATOM 0 HA TYR A 28 -6.814 8.402 5.470 1.00 0.17 H new ATOM 0 HB2 TYR A 28 -4.734 7.738 3.352 1.00 0.19 H new ATOM 0 HB3 TYR A 28 -5.271 6.608 4.580 1.00 0.19 H new ATOM 0 HD1 TYR A 28 -7.561 5.649 4.487 1.00 0.36 H new ATOM 0 HD2 TYR A 28 -6.148 8.300 1.464 1.00 0.32 H new ATOM 0 HE1 TYR A 28 -9.386 4.943 3.017 1.00 0.47 H new ATOM 0 HE2 TYR A 28 -7.982 7.591 -0.011 1.00 0.42 H new ATOM 0 HH TYR A 28 -10.666 5.829 1.067 1.00 0.62 H new ATOM 474 N GLN A 29 -4.552 7.907 6.761 1.00 0.20 N ATOM 475 CA GLN A 29 -3.382 7.869 7.638 1.00 0.15 C ATOM 476 C GLN A 29 -2.227 7.374 6.821 1.00 0.17 C ATOM 477 O GLN A 29 -1.811 6.240 6.971 1.00 0.34 O ATOM 478 CB GLN A 29 -3.592 6.895 8.808 1.00 0.19 C ATOM 479 CG GLN A 29 -2.611 7.025 9.989 1.00 0.28 C ATOM 480 CD GLN A 29 -1.169 6.700 9.646 1.00 0.74 C ATOM 481 OE1 GLN A 29 -0.721 5.568 9.765 1.00 1.50 O ATOM 482 NE2 GLN A 29 -0.451 7.706 9.205 1.00 0.53 N ATOM 0 H GLN A 29 -5.235 7.175 6.957 1.00 0.20 H new ATOM 0 HA GLN A 29 -3.206 8.865 8.045 1.00 0.15 H new ATOM 0 HB2 GLN A 29 -4.605 7.030 9.188 1.00 0.19 H new ATOM 0 HB3 GLN A 29 -3.529 5.878 8.422 1.00 0.19 H new ATOM 0 HG2 GLN A 29 -2.659 8.043 10.375 1.00 0.28 H new ATOM 0 HG3 GLN A 29 -2.938 6.364 10.792 1.00 0.28 H new ATOM 0 HE21 GLN A 29 -0.868 8.633 9.123 1.00 0.53 H new ATOM 0 HE22 GLN A 29 0.524 7.561 8.944 1.00 0.53 H new ATOM 491 N THR A 30 -1.765 8.185 5.922 1.00 0.12 N ATOM 492 CA THR A 30 -0.677 7.802 5.084 1.00 0.13 C ATOM 493 C THR A 30 0.627 8.162 5.752 1.00 0.13 C ATOM 494 O THR A 30 0.898 9.326 5.971 1.00 0.17 O ATOM 495 CB THR A 30 -0.790 8.493 3.733 1.00 0.14 C ATOM 496 OG1 THR A 30 -0.911 9.907 3.920 1.00 0.18 O ATOM 497 CG2 THR A 30 -1.996 7.988 2.974 1.00 0.16 C ATOM 0 H THR A 30 -2.128 9.122 5.750 1.00 0.12 H new ATOM 0 HA THR A 30 -0.707 6.724 4.924 1.00 0.13 H new ATOM 0 HB THR A 30 0.109 8.271 3.158 1.00 0.14 H new ATOM 0 HG1 THR A 30 -0.807 10.361 3.058 1.00 0.18 H new ATOM 0 HG21 THR A 30 -2.058 8.495 2.011 1.00 0.16 H new ATOM 0 HG22 THR A 30 -1.901 6.914 2.813 1.00 0.16 H new ATOM 0 HG23 THR A 30 -2.899 8.190 3.550 1.00 0.16 H new ATOM 505 N PHE A 31 1.414 7.174 6.124 1.00 0.13 N ATOM 506 CA PHE A 31 2.677 7.458 6.784 1.00 0.14 C ATOM 507 C PHE A 31 3.837 7.011 5.885 1.00 0.13 C ATOM 508 O PHE A 31 3.607 6.417 4.830 1.00 0.14 O ATOM 509 CB PHE A 31 2.747 6.758 8.143 1.00 0.17 C ATOM 510 CG PHE A 31 3.500 7.548 9.174 1.00 0.24 C ATOM 511 CD1 PHE A 31 2.847 8.490 9.950 1.00 0.37 C ATOM 512 CD2 PHE A 31 4.859 7.359 9.358 1.00 0.29 C ATOM 513 CE1 PHE A 31 3.535 9.227 10.893 1.00 0.45 C ATOM 514 CE2 PHE A 31 5.553 8.092 10.300 1.00 0.36 C ATOM 515 CZ PHE A 31 4.891 9.028 11.068 1.00 0.42 C ATOM 0 H PHE A 31 1.210 6.184 5.986 1.00 0.13 H new ATOM 0 HA PHE A 31 2.754 8.531 6.957 1.00 0.14 H new ATOM 0 HB2 PHE A 31 1.735 6.574 8.503 1.00 0.17 H new ATOM 0 HB3 PHE A 31 3.223 5.785 8.020 1.00 0.17 H new ATOM 0 HD1 PHE A 31 1.787 8.650 9.816 1.00 0.37 H new ATOM 0 HD2 PHE A 31 5.382 6.630 8.758 1.00 0.29 H new ATOM 0 HE1 PHE A 31 3.014 9.958 11.493 1.00 0.45 H new ATOM 0 HE2 PHE A 31 6.613 7.933 10.436 1.00 0.36 H new ATOM 0 HZ PHE A 31 5.432 9.604 11.804 1.00 0.42 H new ATOM 525 N GLN A 32 5.072 7.294 6.290 1.00 0.14 N ATOM 526 CA GLN A 32 6.244 6.899 5.512 1.00 0.16 C ATOM 527 C GLN A 32 7.010 5.810 6.235 1.00 0.17 C ATOM 528 O GLN A 32 7.016 5.764 7.463 1.00 0.20 O ATOM 529 CB GLN A 32 7.173 8.093 5.269 1.00 0.21 C ATOM 530 CG GLN A 32 7.648 8.771 6.541 1.00 0.76 C ATOM 531 CD GLN A 32 6.928 10.074 6.802 1.00 0.33 C ATOM 532 OE1 GLN A 32 7.474 10.991 7.409 1.00 0.51 O ATOM 533 NE2 GLN A 32 5.699 10.165 6.324 1.00 0.52 N ATOM 0 H GLN A 32 5.288 7.795 7.152 1.00 0.14 H new ATOM 0 HA GLN A 32 5.894 6.525 4.550 1.00 0.16 H new ATOM 0 HB2 GLN A 32 8.041 7.756 4.703 1.00 0.21 H new ATOM 0 HB3 GLN A 32 6.654 8.825 4.651 1.00 0.21 H new ATOM 0 HG2 GLN A 32 7.496 8.099 7.386 1.00 0.76 H new ATOM 0 HG3 GLN A 32 8.719 8.959 6.471 1.00 0.76 H new ATOM 0 HE21 GLN A 32 5.286 9.377 5.826 1.00 0.52 H new ATOM 0 HE22 GLN A 32 5.164 11.024 6.453 1.00 0.52 H new ATOM 542 N ALA A 33 7.639 4.925 5.477 1.00 0.18 N ATOM 543 CA ALA A 33 8.452 3.879 6.069 1.00 0.19 C ATOM 544 C ALA A 33 9.769 3.685 5.335 1.00 0.18 C ATOM 545 O ALA A 33 9.798 3.577 4.109 1.00 0.20 O ATOM 546 CB ALA A 33 7.682 2.570 6.134 1.00 0.20 C ATOM 0 H ALA A 33 7.602 4.911 4.458 1.00 0.18 H new ATOM 0 HA ALA A 33 8.692 4.199 7.083 1.00 0.19 H new ATOM 0 HB1 ALA A 33 8.311 1.800 6.581 1.00 0.20 H new ATOM 0 HB2 ALA A 33 6.786 2.705 6.740 1.00 0.20 H new ATOM 0 HB3 ALA A 33 7.396 2.266 5.127 1.00 0.20 H new ATOM 552 N ALA A 34 10.852 3.645 6.109 1.00 0.18 N ATOM 553 CA ALA A 34 12.181 3.382 5.576 1.00 0.20 C ATOM 554 C ALA A 34 12.513 1.896 5.678 1.00 0.17 C ATOM 555 O ALA A 34 13.492 1.423 5.109 1.00 0.21 O ATOM 556 CB ALA A 34 13.207 4.209 6.326 1.00 0.27 C ATOM 0 H ALA A 34 10.830 3.794 7.118 1.00 0.18 H new ATOM 0 HA ALA A 34 12.202 3.663 4.523 1.00 0.20 H new ATOM 0 HB1 ALA A 34 14.200 4.009 5.924 1.00 0.27 H new ATOM 0 HB2 ALA A 34 12.975 5.268 6.211 1.00 0.27 H new ATOM 0 HB3 ALA A 34 13.184 3.946 7.383 1.00 0.27 H new ATOM 562 N ASN A 35 11.707 1.170 6.440 1.00 0.16 N ATOM 563 CA ASN A 35 11.804 -0.286 6.501 1.00 0.20 C ATOM 564 C ASN A 35 10.418 -0.844 6.725 1.00 0.21 C ATOM 565 O ASN A 35 9.526 -0.127 7.178 1.00 0.18 O ATOM 566 CB ASN A 35 12.705 -0.792 7.645 1.00 0.25 C ATOM 567 CG ASN A 35 13.662 0.242 8.199 1.00 0.27 C ATOM 568 OD1 ASN A 35 14.754 0.440 7.671 1.00 0.39 O ATOM 569 ND2 ASN A 35 13.279 0.870 9.302 1.00 0.22 N ATOM 0 H ASN A 35 10.974 1.566 7.028 1.00 0.16 H new ATOM 0 HA ASN A 35 12.246 -0.617 5.561 1.00 0.20 H new ATOM 0 HB2 ASN A 35 12.072 -1.153 8.456 1.00 0.25 H new ATOM 0 HB3 ASN A 35 13.281 -1.645 7.286 1.00 0.25 H new ATOM 0 HD21 ASN A 35 13.900 1.547 9.745 1.00 0.22 H new ATOM 0 HD22 ASN A 35 12.363 0.676 9.708 1.00 0.22 H new ATOM 576 N GLY A 36 10.238 -2.118 6.429 1.00 0.29 N ATOM 577 CA GLY A 36 8.982 -2.765 6.736 1.00 0.33 C ATOM 578 C GLY A 36 8.743 -2.836 8.231 1.00 0.30 C ATOM 579 O GLY A 36 7.609 -2.876 8.691 1.00 0.30 O ATOM 0 H GLY A 36 10.935 -2.715 5.984 1.00 0.29 H new ATOM 0 HA2 GLY A 36 8.166 -2.220 6.262 1.00 0.33 H new ATOM 0 HA3 GLY A 36 8.979 -3.772 6.318 1.00 0.33 H new ATOM 583 N LEU A 37 9.830 -2.839 8.987 1.00 0.31 N ATOM 584 CA LEU A 37 9.762 -2.822 10.436 1.00 0.31 C ATOM 585 C LEU A 37 9.308 -1.453 10.917 1.00 0.24 C ATOM 586 O LEU A 37 8.560 -1.344 11.884 1.00 0.25 O ATOM 587 CB LEU A 37 11.128 -3.169 11.019 1.00 0.40 C ATOM 588 CG LEU A 37 11.618 -4.595 10.745 1.00 0.76 C ATOM 589 CD1 LEU A 37 12.927 -4.856 11.474 1.00 1.52 C ATOM 590 CD2 LEU A 37 10.565 -5.616 11.155 1.00 1.36 C ATOM 0 H LEU A 37 10.779 -2.853 8.613 1.00 0.31 H new ATOM 0 HA LEU A 37 9.039 -3.565 10.773 1.00 0.31 H new ATOM 0 HB2 LEU A 37 11.862 -2.468 10.621 1.00 0.40 H new ATOM 0 HB3 LEU A 37 11.093 -3.016 12.098 1.00 0.40 H new ATOM 0 HG LEU A 37 11.792 -4.697 9.674 1.00 0.76 H new ATOM 0 HD11 LEU A 37 13.261 -5.873 11.269 1.00 1.52 H new ATOM 0 HD12 LEU A 37 13.682 -4.149 11.130 1.00 1.52 H new ATOM 0 HD13 LEU A 37 12.777 -4.733 12.547 1.00 1.52 H new ATOM 0 HD21 LEU A 37 10.934 -6.621 10.952 1.00 1.36 H new ATOM 0 HD22 LEU A 37 10.355 -5.515 12.220 1.00 1.36 H new ATOM 0 HD23 LEU A 37 9.651 -5.444 10.587 1.00 1.36 H new ATOM 602 N GLN A 38 9.749 -0.409 10.218 1.00 0.20 N ATOM 603 CA GLN A 38 9.270 0.937 10.484 1.00 0.16 C ATOM 604 C GLN A 38 7.776 0.975 10.182 1.00 0.16 C ATOM 605 O GLN A 38 6.987 1.595 10.893 1.00 0.17 O ATOM 606 CB GLN A 38 10.035 1.943 9.612 1.00 0.15 C ATOM 607 CG GLN A 38 10.028 3.383 10.126 1.00 0.19 C ATOM 608 CD GLN A 38 8.665 4.054 10.065 1.00 0.23 C ATOM 609 OE1 GLN A 38 8.352 4.916 10.881 1.00 0.50 O ATOM 610 NE2 GLN A 38 7.856 3.679 9.087 1.00 0.17 N ATOM 0 H GLN A 38 10.435 -0.473 9.466 1.00 0.20 H new ATOM 0 HA GLN A 38 9.437 1.207 11.527 1.00 0.16 H new ATOM 0 HB2 GLN A 38 11.069 1.610 9.523 1.00 0.15 H new ATOM 0 HB3 GLN A 38 9.608 1.929 8.609 1.00 0.15 H new ATOM 0 HG2 GLN A 38 10.380 3.392 11.158 1.00 0.19 H new ATOM 0 HG3 GLN A 38 10.737 3.970 9.542 1.00 0.19 H new ATOM 0 HE21 GLN A 38 8.152 2.959 8.428 1.00 0.17 H new ATOM 0 HE22 GLN A 38 6.936 4.110 8.992 1.00 0.17 H new ATOM 619 N ALA A 39 7.401 0.279 9.120 1.00 0.18 N ATOM 620 CA ALA A 39 6.007 0.155 8.748 1.00 0.22 C ATOM 621 C ALA A 39 5.238 -0.544 9.856 1.00 0.27 C ATOM 622 O ALA A 39 4.115 -0.174 10.162 1.00 0.32 O ATOM 623 CB ALA A 39 5.875 -0.599 7.435 1.00 0.25 C ATOM 0 H ALA A 39 8.048 -0.209 8.501 1.00 0.18 H new ATOM 0 HA ALA A 39 5.585 1.150 8.608 1.00 0.22 H new ATOM 0 HB1 ALA A 39 4.821 -0.684 7.169 1.00 0.25 H new ATOM 0 HB2 ALA A 39 6.405 -0.059 6.650 1.00 0.25 H new ATOM 0 HB3 ALA A 39 6.304 -1.595 7.543 1.00 0.25 H new ATOM 629 N LEU A 40 5.878 -1.528 10.479 1.00 0.29 N ATOM 630 CA LEU A 40 5.276 -2.281 11.571 1.00 0.33 C ATOM 631 C LEU A 40 5.131 -1.373 12.781 1.00 0.29 C ATOM 632 O LEU A 40 4.143 -1.449 13.514 1.00 0.30 O ATOM 633 CB LEU A 40 6.137 -3.519 11.883 1.00 0.39 C ATOM 634 CG LEU A 40 5.602 -4.500 12.946 1.00 0.47 C ATOM 635 CD1 LEU A 40 5.844 -3.986 14.359 1.00 1.47 C ATOM 636 CD2 LEU A 40 4.121 -4.778 12.725 1.00 1.42 C ATOM 0 H LEU A 40 6.825 -1.824 10.242 1.00 0.29 H new ATOM 0 HA LEU A 40 4.283 -2.632 11.289 1.00 0.33 H new ATOM 0 HB2 LEU A 40 6.282 -4.072 10.955 1.00 0.39 H new ATOM 0 HB3 LEU A 40 7.120 -3.175 12.205 1.00 0.39 H new ATOM 0 HG LEU A 40 6.153 -5.434 12.836 1.00 0.47 H new ATOM 0 HD11 LEU A 40 5.453 -4.705 15.079 1.00 1.47 H new ATOM 0 HD12 LEU A 40 6.914 -3.856 14.520 1.00 1.47 H new ATOM 0 HD13 LEU A 40 5.338 -3.029 14.490 1.00 1.47 H new ATOM 0 HD21 LEU A 40 3.764 -5.472 13.486 1.00 1.42 H new ATOM 0 HD22 LEU A 40 3.561 -3.845 12.794 1.00 1.42 H new ATOM 0 HD23 LEU A 40 3.976 -5.216 11.737 1.00 1.42 H new ATOM 648 N ASP A 41 6.115 -0.500 12.965 1.00 0.27 N ATOM 649 CA ASP A 41 6.050 0.522 13.994 1.00 0.27 C ATOM 650 C ASP A 41 4.762 1.296 13.862 1.00 0.26 C ATOM 651 O ASP A 41 4.001 1.418 14.811 1.00 0.32 O ATOM 652 CB ASP A 41 7.223 1.494 13.888 1.00 0.27 C ATOM 653 CG ASP A 41 8.468 0.990 14.580 1.00 0.55 C ATOM 654 OD1 ASP A 41 8.406 0.719 15.795 1.00 0.86 O ATOM 655 OD2 ASP A 41 9.520 0.869 13.916 1.00 1.31 O ATOM 0 H ASP A 41 6.970 -0.483 12.410 1.00 0.27 H new ATOM 0 HA ASP A 41 6.096 0.024 14.962 1.00 0.27 H new ATOM 0 HB2 ASP A 41 7.445 1.674 12.836 1.00 0.27 H new ATOM 0 HB3 ASP A 41 6.935 2.452 14.321 1.00 0.27 H new ATOM 660 N ILE A 42 4.499 1.797 12.667 1.00 0.22 N ATOM 661 CA ILE A 42 3.286 2.563 12.440 1.00 0.23 C ATOM 662 C ILE A 42 2.059 1.663 12.451 1.00 0.24 C ATOM 663 O ILE A 42 0.994 2.073 12.899 1.00 0.26 O ATOM 664 CB ILE A 42 3.306 3.349 11.122 1.00 0.22 C ATOM 665 CG1 ILE A 42 4.561 4.230 11.028 1.00 0.20 C ATOM 666 CG2 ILE A 42 2.037 4.188 11.020 1.00 0.28 C ATOM 667 CD1 ILE A 42 4.752 5.157 12.213 1.00 0.22 C ATOM 0 H ILE A 42 5.100 1.689 11.850 1.00 0.22 H new ATOM 0 HA ILE A 42 3.237 3.279 13.260 1.00 0.23 H new ATOM 0 HB ILE A 42 3.338 2.650 10.287 1.00 0.22 H new ATOM 0 HG12 ILE A 42 5.437 3.588 10.936 1.00 0.20 H new ATOM 0 HG13 ILE A 42 4.506 4.827 10.118 1.00 0.20 H new ATOM 0 HG21 ILE A 42 2.046 4.749 10.085 1.00 0.28 H new ATOM 0 HG22 ILE A 42 1.165 3.534 11.043 1.00 0.28 H new ATOM 0 HG23 ILE A 42 1.991 4.882 11.859 1.00 0.28 H new ATOM 0 HD11 ILE A 42 5.659 5.745 12.072 1.00 0.22 H new ATOM 0 HD12 ILE A 42 3.895 5.825 12.294 1.00 0.22 H new ATOM 0 HD13 ILE A 42 4.840 4.568 13.126 1.00 0.22 H new ATOM 679 N VAL A 43 2.202 0.440 11.965 1.00 0.25 N ATOM 680 CA VAL A 43 1.098 -0.508 11.975 1.00 0.29 C ATOM 681 C VAL A 43 0.628 -0.757 13.405 1.00 0.36 C ATOM 682 O VAL A 43 -0.542 -1.025 13.637 1.00 0.44 O ATOM 683 CB VAL A 43 1.470 -1.850 11.280 1.00 0.36 C ATOM 684 CG1 VAL A 43 0.441 -2.935 11.576 1.00 0.86 C ATOM 685 CG2 VAL A 43 1.587 -1.654 9.775 1.00 0.82 C ATOM 0 H VAL A 43 3.067 0.081 11.560 1.00 0.25 H new ATOM 0 HA VAL A 43 0.282 -0.066 11.403 1.00 0.29 H new ATOM 0 HB VAL A 43 2.432 -2.171 11.680 1.00 0.36 H new ATOM 0 HG11 VAL A 43 0.732 -3.859 11.075 1.00 0.86 H new ATOM 0 HG12 VAL A 43 0.391 -3.105 12.651 1.00 0.86 H new ATOM 0 HG13 VAL A 43 -0.537 -2.618 11.213 1.00 0.86 H new ATOM 0 HG21 VAL A 43 1.848 -2.602 9.304 1.00 0.82 H new ATOM 0 HG22 VAL A 43 0.635 -1.302 9.379 1.00 0.82 H new ATOM 0 HG23 VAL A 43 2.363 -0.918 9.563 1.00 0.82 H new ATOM 695 N THR A 44 1.530 -0.627 14.365 1.00 0.36 N ATOM 696 CA THR A 44 1.148 -0.792 15.759 1.00 0.43 C ATOM 697 C THR A 44 0.903 0.566 16.426 1.00 0.44 C ATOM 698 O THR A 44 0.238 0.645 17.456 1.00 0.52 O ATOM 699 CB THR A 44 2.192 -1.613 16.550 1.00 0.45 C ATOM 700 OG1 THR A 44 1.632 -2.032 17.800 1.00 0.54 O ATOM 701 CG2 THR A 44 3.462 -0.818 16.811 1.00 0.42 C ATOM 0 H THR A 44 2.515 -0.412 14.210 1.00 0.36 H new ATOM 0 HA THR A 44 0.214 -1.354 15.773 1.00 0.43 H new ATOM 0 HB THR A 44 2.455 -2.480 15.944 1.00 0.45 H new ATOM 0 HG1 THR A 44 2.296 -2.553 18.298 1.00 0.54 H new ATOM 0 HG21 THR A 44 4.168 -1.433 17.369 1.00 0.42 H new ATOM 0 HG22 THR A 44 3.909 -0.524 15.861 1.00 0.42 H new ATOM 0 HG23 THR A 44 3.221 0.074 17.390 1.00 0.42 H new ATOM 709 N LYS A 45 1.423 1.631 15.823 1.00 0.39 N ATOM 710 CA LYS A 45 1.243 2.980 16.353 1.00 0.41 C ATOM 711 C LYS A 45 -0.056 3.607 15.863 1.00 0.40 C ATOM 712 O LYS A 45 -0.936 3.934 16.657 1.00 0.45 O ATOM 713 CB LYS A 45 2.418 3.869 15.942 1.00 0.40 C ATOM 714 CG LYS A 45 3.666 3.681 16.798 1.00 0.47 C ATOM 715 CD LYS A 45 4.812 4.599 16.374 1.00 0.56 C ATOM 716 CE LYS A 45 4.686 6.012 16.955 1.00 1.19 C ATOM 717 NZ LYS A 45 3.482 6.751 16.473 1.00 2.01 N ATOM 0 H LYS A 45 1.973 1.586 14.965 1.00 0.39 H new ATOM 0 HA LYS A 45 1.199 2.901 17.439 1.00 0.41 H new ATOM 0 HB2 LYS A 45 2.669 3.664 14.901 1.00 0.40 H new ATOM 0 HB3 LYS A 45 2.107 4.912 15.995 1.00 0.40 H new ATOM 0 HG2 LYS A 45 3.419 3.873 17.842 1.00 0.47 H new ATOM 0 HG3 LYS A 45 3.994 2.643 16.734 1.00 0.47 H new ATOM 0 HD2 LYS A 45 5.758 4.163 16.693 1.00 0.56 H new ATOM 0 HD3 LYS A 45 4.840 4.659 15.286 1.00 0.56 H new ATOM 0 HE2 LYS A 45 4.651 5.947 18.042 1.00 1.19 H new ATOM 0 HE3 LYS A 45 5.579 6.582 16.699 1.00 1.19 H new ATOM 0 HZ1 LYS A 45 3.648 7.775 16.552 1.00 2.01 H new ATOM 0 HZ2 LYS A 45 3.299 6.505 15.479 1.00 2.01 H new ATOM 0 HZ3 LYS A 45 2.659 6.489 17.052 1.00 2.01 H new ATOM 731 N GLU A 46 -0.172 3.776 14.554 1.00 0.35 N ATOM 732 CA GLU A 46 -1.342 4.410 13.968 1.00 0.37 C ATOM 733 C GLU A 46 -2.328 3.358 13.470 1.00 0.37 C ATOM 734 O GLU A 46 -3.543 3.571 13.484 1.00 0.41 O ATOM 735 CB GLU A 46 -0.900 5.303 12.815 1.00 0.36 C ATOM 736 CG GLU A 46 0.280 6.203 13.151 1.00 0.39 C ATOM 737 CD GLU A 46 0.030 7.095 14.345 1.00 1.36 C ATOM 738 OE1 GLU A 46 -0.863 7.964 14.261 1.00 2.00 O ATOM 739 OE2 GLU A 46 0.709 6.930 15.377 1.00 2.01 O ATOM 0 H GLU A 46 0.532 3.482 13.877 1.00 0.35 H new ATOM 0 HA GLU A 46 -1.842 5.012 14.727 1.00 0.37 H new ATOM 0 HB2 GLU A 46 -0.636 4.676 11.963 1.00 0.36 H new ATOM 0 HB3 GLU A 46 -1.741 5.923 12.505 1.00 0.36 H new ATOM 0 HG2 GLU A 46 1.156 5.584 13.345 1.00 0.39 H new ATOM 0 HG3 GLU A 46 0.513 6.823 12.285 1.00 0.39 H new ATOM 746 N ARG A 47 -1.772 2.240 13.005 1.00 0.35 N ATOM 747 CA ARG A 47 -2.538 1.055 12.604 1.00 0.35 C ATOM 748 C ARG A 47 -3.212 1.234 11.242 1.00 0.26 C ATOM 749 O ARG A 47 -4.416 1.031 11.137 1.00 0.31 O ATOM 750 CB ARG A 47 -3.606 0.701 13.657 1.00 0.48 C ATOM 751 CG ARG A 47 -3.076 0.009 14.898 1.00 0.73 C ATOM 752 CD ARG A 47 -3.276 -1.492 14.785 1.00 1.59 C ATOM 753 NE ARG A 47 -2.572 -2.232 15.832 1.00 2.33 N ATOM 754 CZ ARG A 47 -2.211 -3.510 15.722 1.00 3.40 C ATOM 755 NH1 ARG A 47 -2.481 -4.188 14.613 1.00 3.94 N ATOM 756 NH2 ARG A 47 -1.582 -4.106 16.725 1.00 4.15 N ATOM 0 H ARG A 47 -0.764 2.128 12.894 1.00 0.35 H new ATOM 0 HA ARG A 47 -1.820 0.239 12.526 1.00 0.35 H new ATOM 0 HB2 ARG A 47 -4.115 1.616 13.959 1.00 0.48 H new ATOM 0 HB3 ARG A 47 -4.354 0.059 13.192 1.00 0.48 H new ATOM 0 HG2 ARG A 47 -2.017 0.234 15.025 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -3.590 0.387 15.782 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -4.341 -1.718 14.838 1.00 1.59 H new ATOM 0 HD3 ARG A 47 -2.927 -1.829 13.809 1.00 1.59 H new ATOM 0 HE ARG A 47 -2.344 -1.741 16.697 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -2.966 -3.731 13.841 1.00 3.94 H new ATOM 0 HH12 ARG A 47 -2.203 -5.166 14.533 1.00 3.94 H new ATOM 0 HH21 ARG A 47 -1.376 -3.587 17.578 1.00 4.15 H new ATOM 0 HH22 ARG A 47 -1.304 -5.084 16.644 1.00 4.15 H new ATOM 770 N PRO A 48 -2.463 1.587 10.168 1.00 0.19 N ATOM 771 CA PRO A 48 -3.062 1.807 8.845 1.00 0.17 C ATOM 772 C PRO A 48 -3.713 0.560 8.230 1.00 0.22 C ATOM 773 O PRO A 48 -3.380 -0.574 8.578 1.00 0.33 O ATOM 774 CB PRO A 48 -1.908 2.312 7.981 1.00 0.19 C ATOM 775 CG PRO A 48 -0.830 2.699 8.936 1.00 0.22 C ATOM 776 CD PRO A 48 -1.006 1.816 10.140 1.00 0.22 C ATOM 0 HA PRO A 48 -3.889 2.513 8.918 1.00 0.17 H new ATOM 0 HB2 PRO A 48 -1.564 1.538 7.295 1.00 0.19 H new ATOM 0 HB3 PRO A 48 -2.217 3.162 7.373 1.00 0.19 H new ATOM 0 HG2 PRO A 48 0.155 2.559 8.490 1.00 0.22 H new ATOM 0 HG3 PRO A 48 -0.910 3.751 9.209 1.00 0.22 H new ATOM 0 HD2 PRO A 48 -0.452 0.883 10.041 1.00 0.22 H new ATOM 0 HD3 PRO A 48 -0.655 2.300 11.051 1.00 0.22 H new ATOM 784 N ASP A 49 -4.641 0.803 7.298 1.00 0.23 N ATOM 785 CA ASP A 49 -5.491 -0.245 6.732 1.00 0.29 C ATOM 786 C ASP A 49 -4.942 -0.701 5.385 1.00 0.25 C ATOM 787 O ASP A 49 -5.133 -1.847 4.966 1.00 0.31 O ATOM 788 CB ASP A 49 -6.916 0.300 6.547 1.00 0.37 C ATOM 789 CG ASP A 49 -7.996 -0.763 6.656 1.00 1.20 C ATOM 790 OD1 ASP A 49 -8.189 -1.510 5.671 1.00 1.40 O ATOM 791 OD2 ASP A 49 -8.627 -0.886 7.724 1.00 2.12 O ATOM 0 H ASP A 49 -4.822 1.731 6.917 1.00 0.23 H new ATOM 0 HA ASP A 49 -5.506 -1.096 7.413 1.00 0.29 H new ATOM 0 HB2 ASP A 49 -7.101 1.071 7.295 1.00 0.37 H new ATOM 0 HB3 ASP A 49 -6.988 0.780 5.571 1.00 0.37 H new ATOM 796 N LEU A 50 -4.259 0.208 4.702 1.00 0.21 N ATOM 797 CA LEU A 50 -3.658 -0.108 3.418 1.00 0.22 C ATOM 798 C LEU A 50 -2.166 0.098 3.517 1.00 0.19 C ATOM 799 O LEU A 50 -1.721 1.034 4.161 1.00 0.20 O ATOM 800 CB LEU A 50 -4.235 0.766 2.294 1.00 0.28 C ATOM 801 CG LEU A 50 -5.744 0.641 2.043 1.00 0.46 C ATOM 802 CD1 LEU A 50 -6.544 1.509 3.001 1.00 1.39 C ATOM 803 CD2 LEU A 50 -6.070 0.997 0.601 1.00 1.21 C ATOM 0 H LEU A 50 -4.109 1.167 5.016 1.00 0.21 H new ATOM 0 HA LEU A 50 -3.882 -1.146 3.173 1.00 0.22 H new ATOM 0 HB2 LEU A 50 -4.011 1.808 2.522 1.00 0.28 H new ATOM 0 HB3 LEU A 50 -3.713 0.522 1.369 1.00 0.28 H new ATOM 0 HG LEU A 50 -6.028 -0.396 2.224 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -7.608 1.395 2.793 1.00 1.39 H new ATOM 0 HD12 LEU A 50 -6.339 1.203 4.027 1.00 1.39 H new ATOM 0 HD13 LEU A 50 -6.259 2.553 2.871 1.00 1.39 H new ATOM 0 HD21 LEU A 50 -7.144 0.904 0.437 1.00 1.21 H new ATOM 0 HD22 LEU A 50 -5.760 2.022 0.400 1.00 1.21 H new ATOM 0 HD23 LEU A 50 -5.541 0.320 -0.069 1.00 1.21 H new ATOM 815 N VAL A 51 -1.395 -0.784 2.921 1.00 0.22 N ATOM 816 CA VAL A 51 0.050 -0.670 2.976 1.00 0.23 C ATOM 817 C VAL A 51 0.666 -0.709 1.588 1.00 0.27 C ATOM 818 O VAL A 51 0.474 -1.659 0.836 1.00 0.48 O ATOM 819 CB VAL A 51 0.680 -1.777 3.837 1.00 0.31 C ATOM 820 CG1 VAL A 51 2.196 -1.763 3.702 1.00 0.34 C ATOM 821 CG2 VAL A 51 0.280 -1.617 5.294 1.00 0.40 C ATOM 0 H VAL A 51 -1.740 -1.586 2.394 1.00 0.22 H new ATOM 0 HA VAL A 51 0.262 0.296 3.435 1.00 0.23 H new ATOM 0 HB VAL A 51 0.308 -2.737 3.480 1.00 0.31 H new ATOM 0 HG11 VAL A 51 2.624 -2.554 4.319 1.00 0.34 H new ATOM 0 HG12 VAL A 51 2.470 -1.927 2.660 1.00 0.34 H new ATOM 0 HG13 VAL A 51 2.582 -0.798 4.031 1.00 0.34 H new ATOM 0 HG21 VAL A 51 0.736 -2.410 5.886 1.00 0.40 H new ATOM 0 HG22 VAL A 51 0.621 -0.649 5.661 1.00 0.40 H new ATOM 0 HG23 VAL A 51 -0.805 -1.677 5.382 1.00 0.40 H new ATOM 831 N LEU A 52 1.394 0.337 1.265 1.00 0.23 N ATOM 832 CA LEU A 52 2.195 0.401 0.076 1.00 0.26 C ATOM 833 C LEU A 52 3.621 -0.024 0.428 1.00 0.23 C ATOM 834 O LEU A 52 4.228 0.555 1.317 1.00 0.26 O ATOM 835 CB LEU A 52 2.190 1.836 -0.447 1.00 0.30 C ATOM 836 CG LEU A 52 0.814 2.454 -0.724 1.00 0.45 C ATOM 837 CD1 LEU A 52 0.966 3.799 -1.412 1.00 1.08 C ATOM 838 CD2 LEU A 52 -0.043 1.532 -1.567 1.00 1.37 C ATOM 0 H LEU A 52 1.443 1.180 1.837 1.00 0.23 H new ATOM 0 HA LEU A 52 1.797 -0.261 -0.693 1.00 0.26 H new ATOM 0 HB2 LEU A 52 2.708 2.465 0.276 1.00 0.30 H new ATOM 0 HB3 LEU A 52 2.770 1.866 -1.369 1.00 0.30 H new ATOM 0 HG LEU A 52 0.315 2.599 0.234 1.00 0.45 H new ATOM 0 HD11 LEU A 52 -0.020 4.224 -1.602 1.00 1.08 H new ATOM 0 HD12 LEU A 52 1.535 4.473 -0.772 1.00 1.08 H new ATOM 0 HD13 LEU A 52 1.492 3.667 -2.357 1.00 1.08 H new ATOM 0 HD21 LEU A 52 -1.012 1.998 -1.746 1.00 1.37 H new ATOM 0 HD22 LEU A 52 0.452 1.346 -2.520 1.00 1.37 H new ATOM 0 HD23 LEU A 52 -0.186 0.588 -1.042 1.00 1.37 H new ATOM 850 N LEU A 53 4.156 -1.032 -0.241 1.00 0.22 N ATOM 851 CA LEU A 53 5.464 -1.565 0.136 1.00 0.22 C ATOM 852 C LEU A 53 6.429 -1.592 -1.047 1.00 0.19 C ATOM 853 O LEU A 53 6.056 -2.003 -2.153 1.00 0.20 O ATOM 854 CB LEU A 53 5.298 -2.993 0.668 1.00 0.31 C ATOM 855 CG LEU A 53 6.104 -3.361 1.922 1.00 0.49 C ATOM 856 CD1 LEU A 53 7.507 -2.782 1.873 1.00 1.20 C ATOM 857 CD2 LEU A 53 5.381 -2.915 3.180 1.00 0.96 C ATOM 0 H LEU A 53 3.717 -1.495 -1.037 1.00 0.22 H new ATOM 0 HA LEU A 53 5.879 -0.911 0.903 1.00 0.22 H new ATOM 0 HB2 LEU A 53 4.242 -3.155 0.883 1.00 0.31 H new ATOM 0 HB3 LEU A 53 5.571 -3.686 -0.128 1.00 0.31 H new ATOM 0 HG LEU A 53 6.196 -4.447 1.946 1.00 0.49 H new ATOM 0 HD11 LEU A 53 8.048 -3.063 2.777 1.00 1.20 H new ATOM 0 HD12 LEU A 53 8.031 -3.172 1.000 1.00 1.20 H new ATOM 0 HD13 LEU A 53 7.450 -1.695 1.807 1.00 1.20 H new ATOM 0 HD21 LEU A 53 5.972 -3.187 4.055 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.243 -1.834 3.157 1.00 0.96 H new ATOM 0 HD23 LEU A 53 4.408 -3.404 3.233 1.00 0.96 H new ATOM 869 N ASP A 54 7.670 -1.150 -0.820 1.00 0.20 N ATOM 870 CA ASP A 54 8.738 -1.403 -1.774 1.00 0.19 C ATOM 871 C ASP A 54 9.747 -2.402 -1.201 1.00 0.18 C ATOM 872 O ASP A 54 10.171 -2.292 -0.051 1.00 0.24 O ATOM 873 CB ASP A 54 9.447 -0.110 -2.171 1.00 0.23 C ATOM 874 CG ASP A 54 10.626 -0.366 -3.087 1.00 0.36 C ATOM 875 OD1 ASP A 54 10.535 -1.261 -3.944 1.00 0.27 O ATOM 876 OD2 ASP A 54 11.649 0.348 -2.960 1.00 0.83 O ATOM 0 H ASP A 54 7.951 -0.623 0.007 1.00 0.20 H new ATOM 0 HA ASP A 54 8.286 -1.831 -2.669 1.00 0.19 H new ATOM 0 HB2 ASP A 54 8.739 0.553 -2.668 1.00 0.23 H new ATOM 0 HB3 ASP A 54 9.790 0.405 -1.274 1.00 0.23 H new ATOM 881 N MET A 55 10.110 -3.391 -2.011 1.00 0.27 N ATOM 882 CA MET A 55 11.111 -4.383 -1.632 1.00 0.31 C ATOM 883 C MET A 55 12.505 -3.808 -1.823 1.00 0.32 C ATOM 884 O MET A 55 13.461 -4.233 -1.176 1.00 0.43 O ATOM 885 CB MET A 55 10.969 -5.650 -2.482 1.00 0.38 C ATOM 886 CG MET A 55 12.095 -6.655 -2.278 1.00 0.48 C ATOM 887 SD MET A 55 12.703 -7.343 -3.830 1.00 1.23 S ATOM 888 CE MET A 55 11.231 -8.149 -4.456 1.00 1.60 C ATOM 0 H MET A 55 9.721 -3.528 -2.944 1.00 0.27 H new ATOM 0 HA MET A 55 10.957 -4.641 -0.584 1.00 0.31 H new ATOM 0 HB2 MET A 55 10.019 -6.130 -2.247 1.00 0.38 H new ATOM 0 HB3 MET A 55 10.932 -5.368 -3.534 1.00 0.38 H new ATOM 0 HG2 MET A 55 12.918 -6.171 -1.753 1.00 0.48 H new ATOM 0 HG3 MET A 55 11.742 -7.465 -1.640 1.00 0.48 H new ATOM 0 HE1 MET A 55 11.516 -8.934 -5.157 1.00 1.60 H new ATOM 0 HE2 MET A 55 10.676 -8.587 -3.627 1.00 1.60 H new ATOM 0 HE3 MET A 55 10.604 -7.417 -4.966 1.00 1.60 H new ATOM 898 N LYS A 56 12.600 -2.815 -2.696 1.00 0.29 N ATOM 899 CA LYS A 56 13.873 -2.194 -3.027 1.00 0.35 C ATOM 900 C LYS A 56 14.261 -1.196 -1.943 1.00 0.30 C ATOM 901 O LYS A 56 15.180 -0.395 -2.112 1.00 0.37 O ATOM 902 CB LYS A 56 13.771 -1.490 -4.388 1.00 0.49 C ATOM 903 CG LYS A 56 13.218 -2.380 -5.492 1.00 0.76 C ATOM 904 CD LYS A 56 12.629 -1.564 -6.637 1.00 1.11 C ATOM 905 CE LYS A 56 11.935 -2.456 -7.658 1.00 1.26 C ATOM 906 NZ LYS A 56 12.898 -3.305 -8.406 1.00 2.37 N ATOM 0 H LYS A 56 11.801 -2.420 -3.192 1.00 0.29 H new ATOM 0 HA LYS A 56 14.643 -2.963 -3.086 1.00 0.35 H new ATOM 0 HB2 LYS A 56 13.134 -0.612 -4.287 1.00 0.49 H new ATOM 0 HB3 LYS A 56 14.759 -1.135 -4.679 1.00 0.49 H new ATOM 0 HG2 LYS A 56 14.013 -3.021 -5.874 1.00 0.76 H new ATOM 0 HG3 LYS A 56 12.450 -3.035 -5.080 1.00 0.76 H new ATOM 0 HD2 LYS A 56 11.917 -0.840 -6.241 1.00 1.11 H new ATOM 0 HD3 LYS A 56 13.421 -0.997 -7.126 1.00 1.11 H new ATOM 0 HE2 LYS A 56 11.211 -3.092 -7.150 1.00 1.26 H new ATOM 0 HE3 LYS A 56 11.377 -1.836 -8.360 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 12.386 -3.870 -9.113 1.00 2.37 H new ATOM 0 HZ2 LYS A 56 13.595 -2.700 -8.885 1.00 2.37 H new ATOM 0 HZ3 LYS A 56 13.388 -3.940 -7.744 1.00 2.37 H new ATOM 920 N ILE A 57 13.570 -1.288 -0.812 1.00 0.24 N ATOM 921 CA ILE A 57 13.775 -0.385 0.295 1.00 0.24 C ATOM 922 C ILE A 57 15.040 -0.783 1.073 1.00 0.29 C ATOM 923 O ILE A 57 15.197 -1.933 1.505 1.00 0.32 O ATOM 924 CB ILE A 57 12.506 -0.341 1.210 1.00 0.22 C ATOM 925 CG1 ILE A 57 12.091 1.105 1.434 1.00 0.24 C ATOM 926 CG2 ILE A 57 12.708 -1.045 2.549 1.00 0.25 C ATOM 927 CD1 ILE A 57 13.088 1.920 2.212 1.00 0.29 C ATOM 0 H ILE A 57 12.853 -1.994 -0.645 1.00 0.24 H new ATOM 0 HA ILE A 57 13.928 0.624 -0.086 1.00 0.24 H new ATOM 0 HB ILE A 57 11.716 -0.885 0.692 1.00 0.22 H new ATOM 0 HG12 ILE A 57 11.928 1.579 0.466 1.00 0.24 H new ATOM 0 HG13 ILE A 57 11.137 1.120 1.961 1.00 0.24 H new ATOM 0 HG21 ILE A 57 11.792 -0.979 3.137 1.00 0.25 H new ATOM 0 HG22 ILE A 57 12.953 -2.093 2.376 1.00 0.25 H new ATOM 0 HG23 ILE A 57 13.523 -0.567 3.092 1.00 0.25 H new ATOM 0 HD11 ILE A 57 12.715 2.938 2.327 1.00 0.29 H new ATOM 0 HD12 ILE A 57 13.234 1.474 3.196 1.00 0.29 H new ATOM 0 HD13 ILE A 57 14.038 1.940 1.678 1.00 0.29 H new ATOM 939 N PRO A 58 15.995 0.153 1.182 1.00 0.33 N ATOM 940 CA PRO A 58 17.242 -0.063 1.917 1.00 0.38 C ATOM 941 C PRO A 58 17.003 -0.208 3.415 1.00 0.37 C ATOM 942 O PRO A 58 16.458 0.692 4.056 1.00 0.37 O ATOM 943 CB PRO A 58 18.068 1.191 1.628 1.00 0.43 C ATOM 944 CG PRO A 58 17.383 1.878 0.493 1.00 0.41 C ATOM 945 CD PRO A 58 15.942 1.488 0.577 1.00 0.36 C ATOM 0 HA PRO A 58 17.737 -0.984 1.609 1.00 0.38 H new ATOM 0 HB2 PRO A 58 18.117 1.838 2.504 1.00 0.43 H new ATOM 0 HB3 PRO A 58 19.094 0.932 1.366 1.00 0.43 H new ATOM 0 HG2 PRO A 58 17.498 2.959 0.566 1.00 0.41 H new ATOM 0 HG3 PRO A 58 17.813 1.575 -0.462 1.00 0.41 H new ATOM 0 HD2 PRO A 58 15.370 2.186 1.189 1.00 0.36 H new ATOM 0 HD3 PRO A 58 15.472 1.467 -0.406 1.00 0.36 H new ATOM 953 N GLY A 59 17.400 -1.346 3.960 1.00 0.41 N ATOM 954 CA GLY A 59 17.203 -1.607 5.369 1.00 0.44 C ATOM 955 C GLY A 59 16.789 -3.034 5.610 1.00 0.42 C ATOM 956 O GLY A 59 17.556 -3.847 6.125 1.00 0.55 O ATOM 0 H GLY A 59 17.859 -2.099 3.447 1.00 0.41 H new ATOM 0 HA2 GLY A 59 18.125 -1.397 5.912 1.00 0.44 H new ATOM 0 HA3 GLY A 59 16.441 -0.934 5.762 1.00 0.44 H new ATOM 960 N MET A 60 15.564 -3.325 5.229 1.00 0.38 N ATOM 961 CA MET A 60 15.014 -4.669 5.339 1.00 0.39 C ATOM 962 C MET A 60 14.358 -5.077 4.034 1.00 0.36 C ATOM 963 O MET A 60 14.107 -4.234 3.168 1.00 0.34 O ATOM 964 CB MET A 60 13.983 -4.758 6.467 1.00 0.40 C ATOM 965 CG MET A 60 14.573 -4.611 7.862 1.00 0.53 C ATOM 966 SD MET A 60 15.773 -5.902 8.240 1.00 0.78 S ATOM 967 CE MET A 60 16.329 -5.396 9.868 1.00 1.51 C ATOM 0 H MET A 60 14.918 -2.642 4.834 1.00 0.38 H new ATOM 0 HA MET A 60 15.839 -5.344 5.565 1.00 0.39 H new ATOM 0 HB2 MET A 60 13.231 -3.983 6.319 1.00 0.40 H new ATOM 0 HB3 MET A 60 13.470 -5.717 6.401 1.00 0.40 H new ATOM 0 HG2 MET A 60 15.052 -3.636 7.950 1.00 0.53 H new ATOM 0 HG3 MET A 60 13.770 -4.639 8.598 1.00 0.53 H new ATOM 0 HE1 MET A 60 17.237 -5.940 10.128 1.00 1.51 H new ATOM 0 HE2 MET A 60 16.536 -4.326 9.866 1.00 1.51 H new ATOM 0 HE3 MET A 60 15.553 -5.614 10.602 1.00 1.51 H new ATOM 977 N ASP A 61 14.066 -6.362 3.897 1.00 0.38 N ATOM 978 CA ASP A 61 13.377 -6.852 2.712 1.00 0.38 C ATOM 979 C ASP A 61 11.914 -6.515 2.831 1.00 0.32 C ATOM 980 O ASP A 61 11.137 -7.283 3.395 1.00 0.33 O ATOM 981 CB ASP A 61 13.513 -8.357 2.530 1.00 0.48 C ATOM 982 CG ASP A 61 14.891 -8.886 2.863 1.00 0.70 C ATOM 983 OD1 ASP A 61 15.757 -8.913 1.965 1.00 0.88 O ATOM 984 OD2 ASP A 61 15.110 -9.288 4.024 1.00 0.84 O ATOM 0 H ASP A 61 14.293 -7.079 4.586 1.00 0.38 H new ATOM 0 HA ASP A 61 13.834 -6.373 1.847 1.00 0.38 H new ATOM 0 HB2 ASP A 61 12.779 -8.858 3.160 1.00 0.48 H new ATOM 0 HB3 ASP A 61 13.275 -8.613 1.498 1.00 0.48 H new ATOM 989 N GLY A 62 11.545 -5.354 2.319 1.00 0.33 N ATOM 990 CA GLY A 62 10.181 -4.888 2.446 1.00 0.37 C ATOM 991 C GLY A 62 9.184 -5.878 1.889 1.00 0.36 C ATOM 992 O GLY A 62 8.041 -5.932 2.336 1.00 0.40 O ATOM 0 H GLY A 62 12.168 -4.723 1.815 1.00 0.33 H new ATOM 0 HA2 GLY A 62 9.959 -4.704 3.497 1.00 0.37 H new ATOM 0 HA3 GLY A 62 10.074 -3.936 1.926 1.00 0.37 H new ATOM 996 N ILE A 63 9.630 -6.686 0.936 1.00 0.35 N ATOM 997 CA ILE A 63 8.766 -7.673 0.323 1.00 0.36 C ATOM 998 C ILE A 63 8.274 -8.679 1.365 1.00 0.32 C ATOM 999 O ILE A 63 7.098 -9.023 1.392 1.00 0.33 O ATOM 1000 CB ILE A 63 9.464 -8.404 -0.855 1.00 0.42 C ATOM 1001 CG1 ILE A 63 8.436 -9.184 -1.668 1.00 0.64 C ATOM 1002 CG2 ILE A 63 10.583 -9.320 -0.375 1.00 0.39 C ATOM 1003 CD1 ILE A 63 7.391 -8.293 -2.307 1.00 1.60 C ATOM 0 H ILE A 63 10.584 -6.674 0.575 1.00 0.35 H new ATOM 0 HA ILE A 63 7.906 -7.143 -0.087 1.00 0.36 H new ATOM 0 HB ILE A 63 9.923 -7.648 -1.492 1.00 0.42 H new ATOM 0 HG12 ILE A 63 8.949 -9.750 -2.446 1.00 0.64 H new ATOM 0 HG13 ILE A 63 7.942 -9.908 -1.020 1.00 0.64 H new ATOM 0 HG21 ILE A 63 11.044 -9.811 -1.232 1.00 0.39 H new ATOM 0 HG22 ILE A 63 11.334 -8.732 0.153 1.00 0.39 H new ATOM 0 HG23 ILE A 63 10.173 -10.073 0.298 1.00 0.39 H new ATOM 0 HD11 ILE A 63 6.688 -8.905 -2.872 1.00 1.60 H new ATOM 0 HD12 ILE A 63 6.855 -7.747 -1.531 1.00 1.60 H new ATOM 0 HD13 ILE A 63 7.877 -7.586 -2.979 1.00 1.60 H new ATOM 1015 N GLU A 64 9.176 -9.110 2.237 1.00 0.31 N ATOM 1016 CA GLU A 64 8.873 -10.080 3.272 1.00 0.33 C ATOM 1017 C GLU A 64 7.922 -9.493 4.305 1.00 0.28 C ATOM 1018 O GLU A 64 6.989 -10.164 4.748 1.00 0.30 O ATOM 1019 CB GLU A 64 10.180 -10.500 3.916 1.00 0.40 C ATOM 1020 CG GLU A 64 11.282 -10.650 2.886 1.00 0.49 C ATOM 1021 CD GLU A 64 11.634 -12.088 2.587 1.00 0.69 C ATOM 1022 OE1 GLU A 64 12.492 -12.656 3.289 1.00 0.97 O ATOM 1023 OE2 GLU A 64 11.069 -12.649 1.629 1.00 0.86 O ATOM 0 H GLU A 64 10.145 -8.792 2.243 1.00 0.31 H new ATOM 0 HA GLU A 64 8.376 -10.947 2.837 1.00 0.33 H new ATOM 0 HB2 GLU A 64 10.474 -9.760 4.661 1.00 0.40 H new ATOM 0 HB3 GLU A 64 10.041 -11.444 4.442 1.00 0.40 H new ATOM 0 HG2 GLU A 64 10.975 -10.160 1.962 1.00 0.49 H new ATOM 0 HG3 GLU A 64 12.173 -10.132 3.241 1.00 0.49 H new ATOM 1030 N ILE A 65 8.153 -8.236 4.669 1.00 0.27 N ATOM 1031 CA ILE A 65 7.260 -7.531 5.582 1.00 0.27 C ATOM 1032 C ILE A 65 5.861 -7.468 4.975 1.00 0.27 C ATOM 1033 O ILE A 65 4.872 -7.770 5.640 1.00 0.29 O ATOM 1034 CB ILE A 65 7.756 -6.094 5.914 1.00 0.28 C ATOM 1035 CG1 ILE A 65 8.968 -6.120 6.862 1.00 0.30 C ATOM 1036 CG2 ILE A 65 6.633 -5.269 6.527 1.00 0.34 C ATOM 1037 CD1 ILE A 65 10.254 -6.583 6.213 1.00 0.32 C ATOM 0 H ILE A 65 8.949 -7.685 4.347 1.00 0.27 H new ATOM 0 HA ILE A 65 7.243 -8.088 6.519 1.00 0.27 H new ATOM 0 HB ILE A 65 8.068 -5.631 4.978 1.00 0.28 H new ATOM 0 HG12 ILE A 65 9.119 -5.120 7.268 1.00 0.30 H new ATOM 0 HG13 ILE A 65 8.743 -6.775 7.704 1.00 0.30 H new ATOM 0 HG21 ILE A 65 6.999 -4.267 6.752 1.00 0.34 H new ATOM 0 HG22 ILE A 65 5.804 -5.203 5.822 1.00 0.34 H new ATOM 0 HG23 ILE A 65 6.291 -5.746 7.446 1.00 0.34 H new ATOM 0 HD11 ILE A 65 11.058 -6.572 6.949 1.00 0.32 H new ATOM 0 HD12 ILE A 65 10.125 -7.596 5.832 1.00 0.32 H new ATOM 0 HD13 ILE A 65 10.507 -5.915 5.390 1.00 0.32 H new ATOM 1049 N LEU A 66 5.796 -7.111 3.695 1.00 0.29 N ATOM 1050 CA LEU A 66 4.534 -7.073 2.961 1.00 0.34 C ATOM 1051 C LEU A 66 3.852 -8.432 2.972 1.00 0.32 C ATOM 1052 O LEU A 66 2.635 -8.521 3.159 1.00 0.34 O ATOM 1053 CB LEU A 66 4.778 -6.598 1.521 1.00 0.52 C ATOM 1054 CG LEU A 66 3.687 -6.953 0.504 1.00 1.02 C ATOM 1055 CD1 LEU A 66 3.465 -5.796 -0.460 1.00 1.98 C ATOM 1056 CD2 LEU A 66 4.072 -8.207 -0.274 1.00 1.67 C ATOM 0 H LEU A 66 6.609 -6.842 3.141 1.00 0.29 H new ATOM 0 HA LEU A 66 3.869 -6.366 3.456 1.00 0.34 H new ATOM 0 HB2 LEU A 66 4.899 -5.515 1.532 1.00 0.52 H new ATOM 0 HB3 LEU A 66 5.721 -7.020 1.175 1.00 0.52 H new ATOM 0 HG LEU A 66 2.762 -7.145 1.047 1.00 1.02 H new ATOM 0 HD11 LEU A 66 2.688 -6.063 -1.176 1.00 1.98 H new ATOM 0 HD12 LEU A 66 3.156 -4.912 0.098 1.00 1.98 H new ATOM 0 HD13 LEU A 66 4.392 -5.584 -0.993 1.00 1.98 H new ATOM 0 HD21 LEU A 66 3.287 -8.445 -0.992 1.00 1.67 H new ATOM 0 HD22 LEU A 66 5.008 -8.033 -0.805 1.00 1.67 H new ATOM 0 HD23 LEU A 66 4.197 -9.040 0.418 1.00 1.67 H new ATOM 1068 N LYS A 67 4.632 -9.489 2.769 1.00 0.32 N ATOM 1069 CA LYS A 67 4.086 -10.832 2.808 1.00 0.37 C ATOM 1070 C LYS A 67 3.469 -11.087 4.175 1.00 0.38 C ATOM 1071 O LYS A 67 2.300 -11.421 4.275 1.00 0.44 O ATOM 1072 CB LYS A 67 5.155 -11.891 2.524 1.00 0.42 C ATOM 1073 CG LYS A 67 5.957 -11.650 1.254 1.00 0.40 C ATOM 1074 CD LYS A 67 7.172 -12.569 1.203 1.00 0.43 C ATOM 1075 CE LYS A 67 7.971 -12.412 -0.079 1.00 1.34 C ATOM 1076 NZ LYS A 67 9.164 -13.302 -0.092 1.00 1.27 N ATOM 0 H LYS A 67 5.633 -9.439 2.578 1.00 0.32 H new ATOM 0 HA LYS A 67 3.327 -10.908 2.029 1.00 0.37 H new ATOM 0 HB2 LYS A 67 5.841 -11.933 3.370 1.00 0.42 H new ATOM 0 HB3 LYS A 67 4.673 -12.866 2.455 1.00 0.42 H new ATOM 0 HG2 LYS A 67 5.327 -11.823 0.382 1.00 0.40 H new ATOM 0 HG3 LYS A 67 6.279 -10.610 1.213 1.00 0.40 H new ATOM 0 HD2 LYS A 67 7.817 -12.360 2.056 1.00 0.43 H new ATOM 0 HD3 LYS A 67 6.844 -13.604 1.298 1.00 0.43 H new ATOM 0 HE2 LYS A 67 7.336 -12.641 -0.935 1.00 1.34 H new ATOM 0 HE3 LYS A 67 8.289 -11.375 -0.186 1.00 1.34 H new ATOM 0 HZ1 LYS A 67 9.808 -13.008 -0.854 1.00 1.27 H new ATOM 0 HZ2 LYS A 67 9.656 -13.237 0.822 1.00 1.27 H new ATOM 0 HZ3 LYS A 67 8.863 -14.284 -0.254 1.00 1.27 H new ATOM 1090 N ARG A 68 4.264 -10.877 5.214 1.00 0.35 N ATOM 1091 CA ARG A 68 3.851 -11.090 6.586 1.00 0.41 C ATOM 1092 C ARG A 68 2.602 -10.282 6.934 1.00 0.39 C ATOM 1093 O ARG A 68 1.714 -10.785 7.600 1.00 0.46 O ATOM 1094 CB ARG A 68 5.022 -10.667 7.450 1.00 0.45 C ATOM 1095 CG ARG A 68 4.857 -10.822 8.940 1.00 0.49 C ATOM 1096 CD ARG A 68 6.051 -10.176 9.593 1.00 1.11 C ATOM 1097 NE ARG A 68 6.187 -10.500 11.012 1.00 1.70 N ATOM 1098 CZ ARG A 68 7.193 -10.063 11.773 1.00 2.45 C ATOM 1099 NH1 ARG A 68 8.209 -9.409 11.222 1.00 2.71 N ATOM 1100 NH2 ARG A 68 7.204 -10.314 13.076 1.00 3.22 N ATOM 0 H ARG A 68 5.226 -10.550 5.123 1.00 0.35 H new ATOM 0 HA ARG A 68 3.588 -12.135 6.749 1.00 0.41 H new ATOM 0 HB2 ARG A 68 5.896 -11.242 7.143 1.00 0.45 H new ATOM 0 HB3 ARG A 68 5.239 -9.620 7.239 1.00 0.45 H new ATOM 0 HG2 ARG A 68 3.934 -10.350 9.275 1.00 0.49 H new ATOM 0 HG3 ARG A 68 4.794 -11.876 9.212 1.00 0.49 H new ATOM 0 HD2 ARG A 68 6.955 -10.488 9.069 1.00 1.11 H new ATOM 0 HD3 ARG A 68 5.975 -9.094 9.481 1.00 1.11 H new ATOM 0 HE ARG A 68 5.476 -11.091 11.443 1.00 1.70 H new ATOM 0 HH11 ARG A 68 8.221 -9.240 10.216 1.00 2.71 H new ATOM 0 HH12 ARG A 68 8.977 -9.076 11.805 1.00 2.71 H new ATOM 0 HH21 ARG A 68 6.442 -10.843 13.500 1.00 3.22 H new ATOM 0 HH22 ARG A 68 7.975 -9.978 13.654 1.00 3.22 H new ATOM 1114 N MET A 69 2.535 -9.036 6.478 1.00 0.34 N ATOM 1115 CA MET A 69 1.373 -8.183 6.741 1.00 0.36 C ATOM 1116 C MET A 69 0.104 -8.789 6.164 1.00 0.41 C ATOM 1117 O MET A 69 -0.904 -8.955 6.864 1.00 0.45 O ATOM 1118 CB MET A 69 1.578 -6.797 6.141 1.00 0.38 C ATOM 1119 CG MET A 69 2.709 -6.016 6.781 1.00 0.42 C ATOM 1120 SD MET A 69 2.395 -5.633 8.515 1.00 1.16 S ATOM 1121 CE MET A 69 3.858 -4.683 8.915 1.00 1.18 C ATOM 0 H MET A 69 3.268 -8.591 5.925 1.00 0.34 H new ATOM 0 HA MET A 69 1.268 -8.102 7.823 1.00 0.36 H new ATOM 0 HB2 MET A 69 1.777 -6.899 5.074 1.00 0.38 H new ATOM 0 HB3 MET A 69 0.654 -6.228 6.240 1.00 0.38 H new ATOM 0 HG2 MET A 69 3.632 -6.590 6.701 1.00 0.42 H new ATOM 0 HG3 MET A 69 2.862 -5.088 6.230 1.00 0.42 H new ATOM 0 HE1 MET A 69 3.628 -3.980 9.715 1.00 1.18 H new ATOM 0 HE2 MET A 69 4.651 -5.356 9.241 1.00 1.18 H new ATOM 0 HE3 MET A 69 4.188 -4.134 8.033 1.00 1.18 H new ATOM 1131 N LYS A 70 0.155 -9.126 4.881 1.00 0.47 N ATOM 1132 CA LYS A 70 -0.981 -9.763 4.229 1.00 0.60 C ATOM 1133 C LYS A 70 -1.229 -11.135 4.851 1.00 0.66 C ATOM 1134 O LYS A 70 -2.290 -11.713 4.685 1.00 0.90 O ATOM 1135 CB LYS A 70 -0.752 -9.884 2.717 1.00 0.80 C ATOM 1136 CG LYS A 70 0.130 -11.052 2.313 1.00 0.98 C ATOM 1137 CD LYS A 70 1.128 -10.645 1.247 1.00 1.71 C ATOM 1138 CE LYS A 70 1.947 -11.831 0.762 1.00 2.51 C ATOM 1139 NZ LYS A 70 3.053 -11.407 -0.144 1.00 3.32 N ATOM 0 H LYS A 70 0.962 -8.971 4.277 1.00 0.47 H new ATOM 0 HA LYS A 70 -1.864 -9.141 4.379 1.00 0.60 H new ATOM 0 HB2 LYS A 70 -1.718 -9.984 2.221 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -0.301 -8.960 2.354 1.00 0.80 H new ATOM 0 HG2 LYS A 70 0.661 -11.429 3.187 1.00 0.98 H new ATOM 0 HG3 LYS A 70 -0.490 -11.867 1.941 1.00 0.98 H new ATOM 0 HD2 LYS A 70 0.599 -10.199 0.405 1.00 1.71 H new ATOM 0 HD3 LYS A 70 1.795 -9.881 1.646 1.00 1.71 H new ATOM 0 HE2 LYS A 70 2.362 -12.361 1.619 1.00 2.51 H new ATOM 0 HE3 LYS A 70 1.297 -12.532 0.239 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 3.368 -12.220 -0.712 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 2.715 -10.653 -0.776 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 3.849 -11.052 0.423 1.00 3.32 H new ATOM 1153 N VAL A 71 -0.223 -11.645 5.554 1.00 0.59 N ATOM 1154 CA VAL A 71 -0.360 -12.868 6.340 1.00 0.66 C ATOM 1155 C VAL A 71 -1.104 -12.596 7.652 1.00 0.67 C ATOM 1156 O VAL A 71 -1.929 -13.397 8.092 1.00 0.79 O ATOM 1157 CB VAL A 71 1.025 -13.447 6.659 1.00 0.65 C ATOM 1158 CG1 VAL A 71 0.920 -14.540 7.688 1.00 0.76 C ATOM 1159 CG2 VAL A 71 1.701 -13.978 5.410 1.00 0.75 C ATOM 0 H VAL A 71 0.706 -11.226 5.596 1.00 0.59 H new ATOM 0 HA VAL A 71 -0.933 -13.583 5.750 1.00 0.66 H new ATOM 0 HB VAL A 71 1.634 -12.638 7.062 1.00 0.65 H new ATOM 0 HG11 VAL A 71 1.913 -14.937 7.900 1.00 0.76 H new ATOM 0 HG12 VAL A 71 0.487 -14.137 8.604 1.00 0.76 H new ATOM 0 HG13 VAL A 71 0.284 -15.339 7.307 1.00 0.76 H new ATOM 0 HG21 VAL A 71 2.680 -14.381 5.670 1.00 0.75 H new ATOM 0 HG22 VAL A 71 1.089 -14.766 4.972 1.00 0.75 H new ATOM 0 HG23 VAL A 71 1.821 -13.169 4.689 1.00 0.75 H new ATOM 1169 N ILE A 72 -0.819 -11.445 8.254 1.00 0.59 N ATOM 1170 CA ILE A 72 -1.372 -11.085 9.554 1.00 0.64 C ATOM 1171 C ILE A 72 -2.881 -10.876 9.470 1.00 0.66 C ATOM 1172 O ILE A 72 -3.632 -11.293 10.356 1.00 0.77 O ATOM 1173 CB ILE A 72 -0.734 -9.782 10.102 1.00 0.62 C ATOM 1174 CG1 ILE A 72 0.794 -9.885 10.178 1.00 0.57 C ATOM 1175 CG2 ILE A 72 -1.302 -9.432 11.470 1.00 0.79 C ATOM 1176 CD1 ILE A 72 1.303 -11.092 10.939 1.00 1.48 C ATOM 0 H ILE A 72 -0.200 -10.739 7.856 1.00 0.59 H new ATOM 0 HA ILE A 72 -1.147 -11.913 10.227 1.00 0.64 H new ATOM 0 HB ILE A 72 -0.983 -8.985 9.402 1.00 0.62 H new ATOM 0 HG12 ILE A 72 1.195 -9.914 9.165 1.00 0.57 H new ATOM 0 HG13 ILE A 72 1.184 -8.983 10.649 1.00 0.57 H new ATOM 0 HG21 ILE A 72 -0.839 -8.514 11.832 1.00 0.79 H new ATOM 0 HG22 ILE A 72 -2.379 -9.287 11.390 1.00 0.79 H new ATOM 0 HG23 ILE A 72 -1.095 -10.243 12.168 1.00 0.79 H new ATOM 0 HD11 ILE A 72 2.393 -11.086 10.943 1.00 1.48 H new ATOM 0 HD12 ILE A 72 0.936 -11.057 11.965 1.00 1.48 H new ATOM 0 HD13 ILE A 72 0.947 -12.003 10.457 1.00 1.48 H new ATOM 1188 N ASP A 73 -3.327 -10.229 8.406 1.00 0.61 N ATOM 1189 CA ASP A 73 -4.742 -9.899 8.277 1.00 0.67 C ATOM 1190 C ASP A 73 -5.393 -10.620 7.110 1.00 0.72 C ATOM 1191 O ASP A 73 -6.402 -11.306 7.281 1.00 0.85 O ATOM 1192 CB ASP A 73 -4.927 -8.393 8.101 1.00 0.64 C ATOM 1193 CG ASP A 73 -4.475 -7.605 9.316 1.00 0.97 C ATOM 1194 OD1 ASP A 73 -5.275 -7.465 10.267 1.00 0.91 O ATOM 1195 OD2 ASP A 73 -3.325 -7.131 9.332 1.00 1.88 O ATOM 0 H ASP A 73 -2.742 -9.924 7.628 1.00 0.61 H new ATOM 0 HA ASP A 73 -5.227 -10.228 9.196 1.00 0.67 H new ATOM 0 HB2 ASP A 73 -4.366 -8.061 7.228 1.00 0.64 H new ATOM 0 HB3 ASP A 73 -5.978 -8.180 7.904 1.00 0.64 H new ATOM 1200 N GLU A 74 -4.824 -10.411 5.922 1.00 0.67 N ATOM 1201 CA GLU A 74 -5.373 -10.920 4.653 1.00 0.75 C ATOM 1202 C GLU A 74 -6.526 -10.028 4.239 1.00 0.74 C ATOM 1203 O GLU A 74 -7.255 -10.297 3.288 1.00 0.86 O ATOM 1204 CB GLU A 74 -5.827 -12.383 4.750 1.00 0.88 C ATOM 1205 CG GLU A 74 -4.700 -13.349 5.058 1.00 0.99 C ATOM 1206 CD GLU A 74 -5.178 -14.772 5.229 1.00 1.19 C ATOM 1207 OE1 GLU A 74 -5.483 -15.428 4.214 1.00 1.31 O ATOM 1208 OE2 GLU A 74 -5.258 -15.244 6.383 1.00 1.31 O ATOM 0 H GLU A 74 -3.961 -9.879 5.807 1.00 0.67 H new ATOM 0 HA GLU A 74 -4.584 -10.898 3.902 1.00 0.75 H new ATOM 0 HB2 GLU A 74 -6.589 -12.468 5.525 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -6.296 -12.672 3.809 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -3.966 -13.312 4.253 1.00 0.99 H new ATOM 0 HG3 GLU A 74 -4.192 -13.029 5.968 1.00 0.99 H new ATOM 1215 N ASN A 75 -6.656 -8.945 4.983 1.00 0.68 N ATOM 1216 CA ASN A 75 -7.696 -7.960 4.783 1.00 0.74 C ATOM 1217 C ASN A 75 -7.030 -6.661 4.405 1.00 0.67 C ATOM 1218 O ASN A 75 -7.554 -5.863 3.629 1.00 0.76 O ATOM 1219 CB ASN A 75 -8.488 -7.763 6.080 1.00 0.85 C ATOM 1220 CG ASN A 75 -9.405 -8.922 6.426 1.00 0.95 C ATOM 1221 OD1 ASN A 75 -10.493 -8.725 6.970 1.00 1.14 O ATOM 1222 ND2 ASN A 75 -8.963 -10.134 6.156 1.00 1.00 N ATOM 0 H ASN A 75 -6.029 -8.724 5.757 1.00 0.68 H new ATOM 0 HA ASN A 75 -8.381 -8.289 4.002 1.00 0.74 H new ATOM 0 HB2 ASN A 75 -7.788 -7.609 6.901 1.00 0.85 H new ATOM 0 HB3 ASN A 75 -9.084 -6.854 5.995 1.00 0.85 H new ATOM 0 HD21 ASN A 75 -9.527 -10.948 6.398 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -8.057 -10.258 5.705 1.00 1.00 H new ATOM 1229 N ILE A 76 -5.848 -6.486 4.979 1.00 0.57 N ATOM 1230 CA ILE A 76 -5.024 -5.325 4.755 1.00 0.51 C ATOM 1231 C ILE A 76 -4.680 -5.200 3.274 1.00 0.40 C ATOM 1232 O ILE A 76 -4.299 -6.178 2.626 1.00 0.36 O ATOM 1233 CB ILE A 76 -3.744 -5.407 5.618 1.00 0.51 C ATOM 1234 CG1 ILE A 76 -2.978 -4.090 5.564 1.00 0.52 C ATOM 1235 CG2 ILE A 76 -2.855 -6.568 5.184 1.00 0.48 C ATOM 1236 CD1 ILE A 76 -1.844 -4.011 6.564 1.00 0.59 C ATOM 0 H ILE A 76 -5.436 -7.162 5.622 1.00 0.57 H new ATOM 0 HA ILE A 76 -5.577 -4.433 5.050 1.00 0.51 H new ATOM 0 HB ILE A 76 -4.046 -5.590 6.649 1.00 0.51 H new ATOM 0 HG12 ILE A 76 -2.577 -3.953 4.560 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -3.670 -3.268 5.746 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -1.964 -6.598 5.811 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -3.403 -7.504 5.288 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -2.562 -6.433 4.143 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -1.343 -3.048 6.470 1.00 0.59 H new ATOM 0 HD12 ILE A 76 -2.241 -4.117 7.574 1.00 0.59 H new ATOM 0 HD13 ILE A 76 -1.131 -4.812 6.369 1.00 0.59 H new ATOM 1248 N ARG A 77 -4.849 -4.010 2.730 1.00 0.42 N ATOM 1249 CA ARG A 77 -4.606 -3.802 1.312 1.00 0.39 C ATOM 1250 C ARG A 77 -3.120 -3.621 1.064 1.00 0.37 C ATOM 1251 O ARG A 77 -2.580 -2.528 1.215 1.00 0.53 O ATOM 1252 CB ARG A 77 -5.364 -2.588 0.772 1.00 0.55 C ATOM 1253 CG ARG A 77 -6.815 -2.503 1.213 1.00 0.74 C ATOM 1254 CD ARG A 77 -7.582 -3.792 0.960 1.00 0.79 C ATOM 1255 NE ARG A 77 -9.013 -3.624 1.209 1.00 1.24 N ATOM 1256 CZ ARG A 77 -9.546 -3.339 2.403 1.00 1.51 C ATOM 1257 NH1 ARG A 77 -8.777 -3.221 3.479 1.00 1.94 N ATOM 1258 NH2 ARG A 77 -10.855 -3.180 2.520 1.00 1.93 N ATOM 0 H ARG A 77 -5.150 -3.180 3.240 1.00 0.42 H new ATOM 0 HA ARG A 77 -4.969 -4.685 0.786 1.00 0.39 H new ATOM 0 HB2 ARG A 77 -4.847 -1.682 1.090 1.00 0.55 H new ATOM 0 HB3 ARG A 77 -5.329 -2.609 -0.317 1.00 0.55 H new ATOM 0 HG2 ARG A 77 -6.854 -2.264 2.276 1.00 0.74 H new ATOM 0 HG3 ARG A 77 -7.304 -1.685 0.684 1.00 0.74 H new ATOM 0 HD2 ARG A 77 -7.426 -4.113 -0.070 1.00 0.79 H new ATOM 0 HD3 ARG A 77 -7.190 -4.581 1.602 1.00 0.79 H new ATOM 0 HE ARG A 77 -9.649 -3.731 0.418 1.00 1.24 H new ATOM 0 HH11 ARG A 77 -7.768 -3.348 3.401 1.00 1.94 H new ATOM 0 HH12 ARG A 77 -9.195 -3.003 4.383 1.00 1.94 H new ATOM 0 HH21 ARG A 77 -11.455 -3.275 1.701 1.00 1.93 H new ATOM 0 HH22 ARG A 77 -11.263 -2.963 3.429 1.00 1.93 H new ATOM 1272 N VAL A 78 -2.461 -4.704 0.707 1.00 0.33 N ATOM 1273 CA VAL A 78 -1.036 -4.671 0.430 1.00 0.38 C ATOM 1274 C VAL A 78 -0.779 -4.351 -1.036 1.00 0.38 C ATOM 1275 O VAL A 78 -1.082 -5.145 -1.922 1.00 0.53 O ATOM 1276 CB VAL A 78 -0.357 -6.008 0.800 1.00 0.43 C ATOM 1277 CG1 VAL A 78 -0.076 -6.064 2.293 1.00 0.95 C ATOM 1278 CG2 VAL A 78 -1.225 -7.189 0.389 1.00 0.88 C ATOM 0 H VAL A 78 -2.890 -5.623 0.601 1.00 0.33 H new ATOM 0 HA VAL A 78 -0.603 -3.884 1.048 1.00 0.38 H new ATOM 0 HB VAL A 78 0.587 -6.069 0.259 1.00 0.43 H new ATOM 0 HG11 VAL A 78 0.403 -7.012 2.538 1.00 0.95 H new ATOM 0 HG12 VAL A 78 0.584 -5.242 2.570 1.00 0.95 H new ATOM 0 HG13 VAL A 78 -1.013 -5.978 2.843 1.00 0.95 H new ATOM 0 HG21 VAL A 78 -0.726 -8.119 0.660 1.00 0.88 H new ATOM 0 HG22 VAL A 78 -2.185 -7.130 0.901 1.00 0.88 H new ATOM 0 HG23 VAL A 78 -1.386 -7.164 -0.689 1.00 0.88 H new ATOM 1288 N ILE A 79 -0.242 -3.171 -1.282 1.00 0.28 N ATOM 1289 CA ILE A 79 0.089 -2.741 -2.627 1.00 0.29 C ATOM 1290 C ILE A 79 1.596 -2.741 -2.813 1.00 0.28 C ATOM 1291 O ILE A 79 2.342 -2.325 -1.927 1.00 0.27 O ATOM 1292 CB ILE A 79 -0.481 -1.343 -2.937 1.00 0.35 C ATOM 1293 CG1 ILE A 79 -2.009 -1.356 -2.803 1.00 0.55 C ATOM 1294 CG2 ILE A 79 -0.063 -0.895 -4.334 1.00 0.45 C ATOM 1295 CD1 ILE A 79 -2.713 -2.125 -3.899 1.00 0.59 C ATOM 0 H ILE A 79 -0.024 -2.486 -0.558 1.00 0.28 H new ATOM 0 HA ILE A 79 -0.366 -3.445 -3.323 1.00 0.29 H new ATOM 0 HB ILE A 79 -0.077 -0.630 -2.218 1.00 0.35 H new ATOM 0 HG12 ILE A 79 -2.276 -1.790 -1.839 1.00 0.55 H new ATOM 0 HG13 ILE A 79 -2.373 -0.328 -2.802 1.00 0.55 H new ATOM 0 HG21 ILE A 79 -0.474 0.094 -4.537 1.00 0.45 H new ATOM 0 HG22 ILE A 79 1.025 -0.855 -4.393 1.00 0.45 H new ATOM 0 HG23 ILE A 79 -0.441 -1.603 -5.071 1.00 0.45 H new ATOM 0 HD11 ILE A 79 -3.790 -2.088 -3.735 1.00 0.59 H new ATOM 0 HD12 ILE A 79 -2.478 -1.679 -4.865 1.00 0.59 H new ATOM 0 HD13 ILE A 79 -2.379 -3.163 -3.887 1.00 0.59 H new ATOM 1307 N ILE A 80 2.035 -3.206 -3.965 1.00 0.31 N ATOM 1308 CA ILE A 80 3.452 -3.367 -4.225 1.00 0.32 C ATOM 1309 C ILE A 80 3.929 -2.351 -5.251 1.00 0.37 C ATOM 1310 O ILE A 80 3.449 -2.319 -6.385 1.00 0.46 O ATOM 1311 CB ILE A 80 3.786 -4.814 -4.683 1.00 0.37 C ATOM 1312 CG1 ILE A 80 4.961 -4.831 -5.664 1.00 0.40 C ATOM 1313 CG2 ILE A 80 2.572 -5.488 -5.299 1.00 0.47 C ATOM 1314 CD1 ILE A 80 5.379 -6.225 -6.079 1.00 0.45 C ATOM 0 H ILE A 80 1.429 -3.480 -4.739 1.00 0.31 H new ATOM 0 HA ILE A 80 3.983 -3.187 -3.290 1.00 0.32 H new ATOM 0 HB ILE A 80 4.077 -5.376 -3.796 1.00 0.37 H new ATOM 0 HG12 ILE A 80 4.690 -4.261 -6.553 1.00 0.40 H new ATOM 0 HG13 ILE A 80 5.812 -4.325 -5.208 1.00 0.40 H new ATOM 0 HG21 ILE A 80 2.836 -6.499 -5.610 1.00 0.47 H new ATOM 0 HG22 ILE A 80 1.768 -5.533 -4.564 1.00 0.47 H new ATOM 0 HG23 ILE A 80 2.239 -4.917 -6.166 1.00 0.47 H new ATOM 0 HD11 ILE A 80 6.216 -6.162 -6.774 1.00 0.45 H new ATOM 0 HD12 ILE A 80 5.681 -6.792 -5.198 1.00 0.45 H new ATOM 0 HD13 ILE A 80 4.542 -6.727 -6.564 1.00 0.45 H new ATOM 1326 N MET A 81 4.870 -1.518 -4.841 1.00 0.35 N ATOM 1327 CA MET A 81 5.455 -0.539 -5.744 1.00 0.43 C ATOM 1328 C MET A 81 6.868 -0.960 -6.092 1.00 0.45 C ATOM 1329 O MET A 81 7.656 -0.194 -6.648 1.00 0.57 O ATOM 1330 CB MET A 81 5.449 0.866 -5.132 1.00 0.48 C ATOM 1331 CG MET A 81 6.202 0.973 -3.814 1.00 0.47 C ATOM 1332 SD MET A 81 6.376 2.679 -3.253 1.00 0.99 S ATOM 1333 CE MET A 81 7.451 3.331 -4.531 1.00 1.36 C ATOM 0 H MET A 81 5.245 -1.499 -3.893 1.00 0.35 H new ATOM 0 HA MET A 81 4.851 -0.500 -6.650 1.00 0.43 H new ATOM 0 HB2 MET A 81 5.887 1.563 -5.846 1.00 0.48 H new ATOM 0 HB3 MET A 81 4.416 1.178 -4.974 1.00 0.48 H new ATOM 0 HG2 MET A 81 5.678 0.395 -3.052 1.00 0.47 H new ATOM 0 HG3 MET A 81 7.191 0.529 -3.927 1.00 0.47 H new ATOM 0 HE1 MET A 81 8.336 3.772 -4.072 1.00 1.36 H new ATOM 0 HE2 MET A 81 7.753 2.524 -5.199 1.00 1.36 H new ATOM 0 HE3 MET A 81 6.919 4.093 -5.100 1.00 1.36 H new ATOM 1343 N THR A 82 7.173 -2.200 -5.761 1.00 0.39 N ATOM 1344 CA THR A 82 8.472 -2.766 -6.033 1.00 0.42 C ATOM 1345 C THR A 82 8.427 -3.622 -7.304 1.00 0.48 C ATOM 1346 O THR A 82 7.532 -3.451 -8.138 1.00 0.52 O ATOM 1347 CB THR A 82 8.965 -3.590 -4.828 1.00 0.40 C ATOM 1348 OG1 THR A 82 10.370 -3.798 -4.944 1.00 0.43 O ATOM 1349 CG2 THR A 82 8.249 -4.927 -4.703 1.00 0.44 C ATOM 0 H THR A 82 6.527 -2.838 -5.297 1.00 0.39 H new ATOM 0 HA THR A 82 9.179 -1.953 -6.197 1.00 0.42 H new ATOM 0 HB THR A 82 8.739 -3.024 -3.925 1.00 0.40 H new ATOM 0 HG1 THR A 82 10.841 -2.958 -4.763 1.00 0.43 H new ATOM 0 HG21 THR A 82 8.635 -5.467 -3.838 1.00 0.44 H new ATOM 0 HG22 THR A 82 7.180 -4.757 -4.577 1.00 0.44 H new ATOM 0 HG23 THR A 82 8.419 -5.516 -5.604 1.00 0.44 H new ATOM 1357 N ALA A 83 9.397 -4.526 -7.452 1.00 0.54 N ATOM 1358 CA ALA A 83 9.500 -5.376 -8.630 1.00 0.64 C ATOM 1359 C ALA A 83 8.160 -6.010 -8.980 1.00 0.69 C ATOM 1360 O ALA A 83 7.694 -6.934 -8.325 1.00 0.74 O ATOM 1361 CB ALA A 83 10.563 -6.437 -8.420 1.00 0.77 C ATOM 0 H ALA A 83 10.128 -4.686 -6.759 1.00 0.54 H new ATOM 0 HA ALA A 83 9.793 -4.751 -9.473 1.00 0.64 H new ATOM 0 HB1 ALA A 83 10.630 -7.066 -9.308 1.00 0.77 H new ATOM 0 HB2 ALA A 83 11.525 -5.957 -8.242 1.00 0.77 H new ATOM 0 HB3 ALA A 83 10.299 -7.052 -7.559 1.00 0.77 H new ATOM 1367 N TYR A 84 7.533 -5.463 -10.004 1.00 0.75 N ATOM 1368 CA TYR A 84 6.230 -5.920 -10.482 1.00 0.93 C ATOM 1369 C TYR A 84 6.286 -7.311 -11.106 1.00 1.04 C ATOM 1370 O TYR A 84 5.271 -7.825 -11.574 1.00 1.38 O ATOM 1371 CB TYR A 84 5.669 -4.896 -11.476 1.00 1.14 C ATOM 1372 CG TYR A 84 6.474 -4.765 -12.759 1.00 1.02 C ATOM 1373 CD1 TYR A 84 7.682 -4.083 -12.773 1.00 1.17 C ATOM 1374 CD2 TYR A 84 6.027 -5.323 -13.950 1.00 1.23 C ATOM 1375 CE1 TYR A 84 8.422 -3.957 -13.931 1.00 1.68 C ATOM 1376 CE2 TYR A 84 6.762 -5.200 -15.118 1.00 1.55 C ATOM 1377 CZ TYR A 84 7.961 -4.518 -15.099 1.00 1.84 C ATOM 1378 OH TYR A 84 8.704 -4.392 -16.251 1.00 2.42 O ATOM 0 H TYR A 84 7.913 -4.681 -10.537 1.00 0.75 H new ATOM 0 HA TYR A 84 5.567 -6.001 -9.621 1.00 0.93 H new ATOM 0 HB2 TYR A 84 4.646 -5.175 -11.729 1.00 1.14 H new ATOM 0 HB3 TYR A 84 5.622 -3.922 -10.989 1.00 1.14 H new ATOM 0 HD1 TYR A 84 8.051 -3.642 -11.859 1.00 1.17 H new ATOM 0 HD2 TYR A 84 5.091 -5.862 -13.966 1.00 1.23 H new ATOM 0 HE1 TYR A 84 9.359 -3.420 -13.920 1.00 1.68 H new ATOM 0 HE2 TYR A 84 6.399 -5.635 -16.037 1.00 1.55 H new ATOM 0 HH TYR A 84 8.243 -4.844 -16.989 1.00 2.42 H new ATOM 1388 N GLY A 85 7.455 -7.923 -11.093 1.00 1.18 N ATOM 1389 CA GLY A 85 7.562 -9.308 -11.480 1.00 1.31 C ATOM 1390 C GLY A 85 7.298 -10.216 -10.295 1.00 1.26 C ATOM 1391 O GLY A 85 7.447 -11.430 -10.381 1.00 1.37 O ATOM 0 H GLY A 85 8.334 -7.484 -10.820 1.00 1.18 H new ATOM 0 HA2 GLY A 85 6.850 -9.525 -12.276 1.00 1.31 H new ATOM 0 HA3 GLY A 85 8.557 -9.503 -11.880 1.00 1.31 H new ATOM 1395 N GLU A 86 6.855 -9.609 -9.197 1.00 1.14 N ATOM 1396 CA GLU A 86 6.687 -10.309 -7.939 1.00 1.12 C ATOM 1397 C GLU A 86 5.281 -10.845 -7.787 1.00 1.14 C ATOM 1398 O GLU A 86 4.922 -11.409 -6.757 1.00 1.13 O ATOM 1399 CB GLU A 86 7.054 -9.400 -6.779 1.00 1.04 C ATOM 1400 CG GLU A 86 8.392 -9.755 -6.149 1.00 1.04 C ATOM 1401 CD GLU A 86 9.461 -10.065 -7.180 1.00 1.60 C ATOM 1402 OE1 GLU A 86 9.416 -11.153 -7.780 1.00 2.16 O ATOM 1403 OE2 GLU A 86 10.337 -9.205 -7.408 1.00 1.64 O ATOM 0 H GLU A 86 6.605 -8.621 -9.160 1.00 1.14 H new ATOM 0 HA GLU A 86 7.361 -11.166 -7.935 1.00 1.12 H new ATOM 0 HB2 GLU A 86 7.085 -8.368 -7.128 1.00 1.04 H new ATOM 0 HB3 GLU A 86 6.274 -9.456 -6.019 1.00 1.04 H new ATOM 0 HG2 GLU A 86 8.726 -8.927 -5.524 1.00 1.04 H new ATOM 0 HG3 GLU A 86 8.263 -10.617 -5.495 1.00 1.04 H new ATOM 1410 N LEU A 87 4.486 -10.684 -8.823 1.00 1.19 N ATOM 1411 CA LEU A 87 3.256 -11.462 -8.931 1.00 1.27 C ATOM 1412 C LEU A 87 3.654 -12.905 -9.197 1.00 1.27 C ATOM 1413 O LEU A 87 2.844 -13.828 -9.131 1.00 1.30 O ATOM 1414 CB LEU A 87 2.295 -10.899 -10.012 1.00 1.38 C ATOM 1415 CG LEU A 87 2.642 -11.108 -11.507 1.00 1.41 C ATOM 1416 CD1 LEU A 87 4.097 -10.792 -11.816 1.00 1.84 C ATOM 1417 CD2 LEU A 87 2.281 -12.512 -11.973 1.00 1.96 C ATOM 0 H LEU A 87 4.658 -10.036 -9.592 1.00 1.19 H new ATOM 0 HA LEU A 87 2.690 -11.400 -8.001 1.00 1.27 H new ATOM 0 HB2 LEU A 87 1.312 -11.336 -9.838 1.00 1.38 H new ATOM 0 HB3 LEU A 87 2.201 -9.826 -9.843 1.00 1.38 H new ATOM 0 HG LEU A 87 2.034 -10.397 -12.066 1.00 1.41 H new ATOM 0 HD11 LEU A 87 4.287 -10.955 -12.877 1.00 1.84 H new ATOM 0 HD12 LEU A 87 4.304 -9.752 -11.566 1.00 1.84 H new ATOM 0 HD13 LEU A 87 4.744 -11.443 -11.227 1.00 1.84 H new ATOM 0 HD21 LEU A 87 2.538 -12.623 -13.026 1.00 1.96 H new ATOM 0 HD22 LEU A 87 2.835 -13.244 -11.385 1.00 1.96 H new ATOM 0 HD23 LEU A 87 1.211 -12.675 -11.841 1.00 1.96 H new ATOM 1429 N ASP A 88 4.936 -13.072 -9.498 1.00 1.29 N ATOM 1430 CA ASP A 88 5.546 -14.386 -9.558 1.00 1.35 C ATOM 1431 C ASP A 88 6.059 -14.772 -8.172 1.00 1.29 C ATOM 1432 O ASP A 88 5.476 -15.622 -7.504 1.00 1.39 O ATOM 1433 CB ASP A 88 6.691 -14.392 -10.572 1.00 1.38 C ATOM 1434 CG ASP A 88 7.439 -15.715 -10.633 1.00 1.49 C ATOM 1435 OD1 ASP A 88 8.262 -15.982 -9.734 1.00 1.54 O ATOM 1436 OD2 ASP A 88 7.194 -16.505 -11.570 1.00 1.59 O ATOM 0 H ASP A 88 5.574 -12.304 -9.705 1.00 1.29 H new ATOM 0 HA ASP A 88 4.801 -15.115 -9.879 1.00 1.35 H new ATOM 0 HB2 ASP A 88 6.292 -14.163 -11.560 1.00 1.38 H new ATOM 0 HB3 ASP A 88 7.393 -13.598 -10.320 1.00 1.38 H new ATOM 1441 N MET A 89 7.116 -14.099 -7.722 1.00 1.17 N ATOM 1442 CA MET A 89 7.784 -14.477 -6.481 1.00 1.16 C ATOM 1443 C MET A 89 6.988 -14.088 -5.238 1.00 1.14 C ATOM 1444 O MET A 89 6.672 -14.943 -4.427 1.00 1.25 O ATOM 1445 CB MET A 89 9.190 -13.867 -6.421 1.00 1.11 C ATOM 1446 CG MET A 89 9.863 -13.997 -5.059 1.00 1.13 C ATOM 1447 SD MET A 89 11.649 -13.726 -5.118 1.00 1.46 S ATOM 1448 CE MET A 89 11.741 -12.029 -5.691 1.00 2.17 C ATOM 0 H MET A 89 7.526 -13.294 -8.196 1.00 1.17 H new ATOM 0 HA MET A 89 7.859 -15.564 -6.485 1.00 1.16 H new ATOM 0 HB2 MET A 89 9.816 -14.348 -7.172 1.00 1.11 H new ATOM 0 HB3 MET A 89 9.129 -12.811 -6.686 1.00 1.11 H new ATOM 0 HG2 MET A 89 9.416 -13.280 -4.370 1.00 1.13 H new ATOM 0 HG3 MET A 89 9.666 -14.991 -4.657 1.00 1.13 H new ATOM 0 HE1 MET A 89 12.724 -11.619 -5.458 1.00 2.17 H new ATOM 0 HE2 MET A 89 11.581 -12.000 -6.769 1.00 2.17 H new ATOM 0 HE3 MET A 89 10.974 -11.435 -5.194 1.00 2.17 H new ATOM 1458 N ALA A 90 6.632 -12.818 -5.102 1.00 1.06 N ATOM 1459 CA ALA A 90 6.006 -12.330 -3.871 1.00 1.05 C ATOM 1460 C ALA A 90 4.640 -12.953 -3.638 1.00 1.12 C ATOM 1461 O ALA A 90 4.226 -13.155 -2.489 1.00 1.17 O ATOM 1462 CB ALA A 90 5.879 -10.823 -3.901 1.00 0.99 C ATOM 0 H ALA A 90 6.763 -12.107 -5.822 1.00 1.06 H new ATOM 0 HA ALA A 90 6.654 -12.625 -3.046 1.00 1.05 H new ATOM 0 HB1 ALA A 90 5.412 -10.479 -2.978 1.00 0.99 H new ATOM 0 HB2 ALA A 90 6.869 -10.376 -3.995 1.00 0.99 H new ATOM 0 HB3 ALA A 90 5.265 -10.526 -4.751 1.00 0.99 H new ATOM 1468 N GLN A 91 3.940 -13.240 -4.724 1.00 1.19 N ATOM 1469 CA GLN A 91 2.620 -13.836 -4.647 1.00 1.31 C ATOM 1470 C GLN A 91 2.704 -15.296 -4.199 1.00 1.46 C ATOM 1471 O GLN A 91 2.161 -15.666 -3.154 1.00 1.51 O ATOM 1472 CB GLN A 91 1.897 -13.677 -6.001 1.00 1.40 C ATOM 1473 CG GLN A 91 1.029 -14.863 -6.407 1.00 1.68 C ATOM 1474 CD GLN A 91 -0.253 -14.985 -5.596 1.00 1.84 C ATOM 1475 OE1 GLN A 91 -0.311 -14.599 -4.428 1.00 2.24 O ATOM 1476 NE2 GLN A 91 -1.289 -15.534 -6.210 1.00 2.42 N ATOM 0 H GLN A 91 4.269 -13.068 -5.674 1.00 1.19 H new ATOM 0 HA GLN A 91 2.032 -13.314 -3.892 1.00 1.31 H new ATOM 0 HB2 GLN A 91 1.272 -12.785 -5.960 1.00 1.40 H new ATOM 0 HB3 GLN A 91 2.643 -13.508 -6.777 1.00 1.40 H new ATOM 0 HG2 GLN A 91 0.774 -14.771 -7.463 1.00 1.68 H new ATOM 0 HG3 GLN A 91 1.607 -15.780 -6.297 1.00 1.68 H new ATOM 0 HE21 GLN A 91 -1.203 -15.842 -7.179 1.00 2.42 H new ATOM 0 HE22 GLN A 91 -2.173 -15.649 -5.715 1.00 2.42 H new ATOM 1485 N GLU A 92 3.437 -16.103 -4.950 1.00 1.57 N ATOM 1486 CA GLU A 92 3.547 -17.530 -4.672 1.00 1.80 C ATOM 1487 C GLU A 92 4.430 -17.807 -3.453 1.00 1.83 C ATOM 1488 O GLU A 92 4.396 -18.903 -2.894 1.00 2.04 O ATOM 1489 CB GLU A 92 4.084 -18.259 -5.900 1.00 1.91 C ATOM 1490 CG GLU A 92 3.287 -17.965 -7.159 1.00 1.96 C ATOM 1491 CD GLU A 92 3.678 -18.841 -8.328 1.00 2.13 C ATOM 1492 OE1 GLU A 92 3.151 -19.967 -8.435 1.00 2.44 O ATOM 1493 OE2 GLU A 92 4.532 -18.414 -9.134 1.00 2.12 O ATOM 0 H GLU A 92 3.969 -15.793 -5.763 1.00 1.57 H new ATOM 0 HA GLU A 92 2.550 -17.904 -4.439 1.00 1.80 H new ATOM 0 HB2 GLU A 92 5.124 -17.974 -6.060 1.00 1.91 H new ATOM 0 HB3 GLU A 92 4.073 -19.333 -5.712 1.00 1.91 H new ATOM 0 HG2 GLU A 92 2.226 -18.101 -6.950 1.00 1.96 H new ATOM 0 HG3 GLU A 92 3.426 -16.919 -7.434 1.00 1.96 H new ATOM 1500 N SER A 93 5.226 -16.814 -3.065 1.00 1.66 N ATOM 1501 CA SER A 93 6.141 -16.935 -1.927 1.00 1.77 C ATOM 1502 C SER A 93 5.419 -17.380 -0.659 1.00 1.87 C ATOM 1503 O SER A 93 6.000 -18.075 0.173 1.00 2.13 O ATOM 1504 CB SER A 93 6.840 -15.595 -1.674 1.00 1.65 C ATOM 1505 OG SER A 93 7.837 -15.691 -0.670 1.00 1.98 O ATOM 0 H SER A 93 5.257 -15.905 -3.527 1.00 1.66 H new ATOM 0 HA SER A 93 6.877 -17.698 -2.179 1.00 1.77 H new ATOM 0 HB2 SER A 93 7.293 -15.243 -2.601 1.00 1.65 H new ATOM 0 HB3 SER A 93 6.100 -14.851 -1.379 1.00 1.65 H new ATOM 0 HG SER A 93 7.438 -15.505 0.206 1.00 1.98 H new ATOM 1511 N LYS A 94 4.158 -16.992 -0.497 1.00 1.73 N ATOM 1512 CA LYS A 94 3.439 -17.359 0.711 1.00 1.84 C ATOM 1513 C LYS A 94 1.937 -17.396 0.503 1.00 1.75 C ATOM 1514 O LYS A 94 1.369 -18.436 0.169 1.00 2.05 O ATOM 1515 CB LYS A 94 3.770 -16.402 1.857 1.00 1.74 C ATOM 1516 CG LYS A 94 3.267 -16.888 3.209 1.00 2.03 C ATOM 1517 CD LYS A 94 3.806 -18.265 3.558 1.00 2.19 C ATOM 1518 CE LYS A 94 3.145 -18.807 4.810 1.00 2.42 C ATOM 1519 NZ LYS A 94 3.524 -18.038 6.024 1.00 2.66 N ATOM 0 H LYS A 94 3.627 -16.438 -1.169 1.00 1.73 H new ATOM 0 HA LYS A 94 3.768 -18.366 0.969 1.00 1.84 H new ATOM 0 HB2 LYS A 94 4.850 -16.265 1.907 1.00 1.74 H new ATOM 0 HB3 LYS A 94 3.334 -15.426 1.644 1.00 1.74 H new ATOM 0 HG2 LYS A 94 3.561 -16.178 3.982 1.00 2.03 H new ATOM 0 HG3 LYS A 94 2.177 -16.917 3.201 1.00 2.03 H new ATOM 0 HD2 LYS A 94 3.633 -18.948 2.727 1.00 2.19 H new ATOM 0 HD3 LYS A 94 4.884 -18.210 3.707 1.00 2.19 H new ATOM 0 HE2 LYS A 94 2.062 -18.779 4.688 1.00 2.42 H new ATOM 0 HE3 LYS A 94 3.424 -19.852 4.943 1.00 2.42 H new ATOM 0 HZ1 LYS A 94 3.076 -18.465 6.860 1.00 2.66 H new ATOM 0 HZ2 LYS A 94 4.558 -18.057 6.138 1.00 2.66 H new ATOM 0 HZ3 LYS A 94 3.204 -17.053 5.925 1.00 2.66 H new ATOM 1533 N GLU A 95 1.306 -16.251 0.696 1.00 1.51 N ATOM 1534 CA GLU A 95 -0.144 -16.200 0.807 1.00 1.57 C ATOM 1535 C GLU A 95 -0.779 -15.347 -0.290 1.00 1.40 C ATOM 1536 O GLU A 95 -1.064 -15.833 -1.379 1.00 1.80 O ATOM 1537 CB GLU A 95 -0.513 -15.655 2.195 1.00 1.57 C ATOM 1538 CG GLU A 95 -1.992 -15.726 2.539 1.00 1.70 C ATOM 1539 CD GLU A 95 -2.494 -17.147 2.657 1.00 2.39 C ATOM 1540 OE1 GLU A 95 -1.946 -17.910 3.482 1.00 3.16 O ATOM 1541 OE2 GLU A 95 -3.442 -17.506 1.933 1.00 2.68 O ATOM 0 H GLU A 95 1.771 -15.347 0.779 1.00 1.51 H new ATOM 0 HA GLU A 95 -0.536 -17.209 0.681 1.00 1.57 H new ATOM 0 HB2 GLU A 95 0.047 -16.210 2.948 1.00 1.57 H new ATOM 0 HB3 GLU A 95 -0.190 -14.616 2.259 1.00 1.57 H new ATOM 0 HG2 GLU A 95 -2.168 -15.203 3.479 1.00 1.70 H new ATOM 0 HG3 GLU A 95 -2.565 -15.205 1.772 1.00 1.70 H new ATOM 1548 N LEU A 96 -0.953 -14.064 -0.003 1.00 1.13 N ATOM 1549 CA LEU A 96 -1.742 -13.178 -0.851 1.00 1.44 C ATOM 1550 C LEU A 96 -0.908 -12.607 -1.971 1.00 1.40 C ATOM 1551 O LEU A 96 -1.425 -12.164 -2.991 1.00 1.87 O ATOM 1552 CB LEU A 96 -2.267 -12.027 -0.009 1.00 1.74 C ATOM 1553 CG LEU A 96 -3.514 -11.324 -0.550 1.00 2.31 C ATOM 1554 CD1 LEU A 96 -4.695 -12.281 -0.580 1.00 2.48 C ATOM 1555 CD2 LEU A 96 -3.838 -10.099 0.291 1.00 3.10 C ATOM 0 H LEU A 96 -0.554 -13.609 0.819 1.00 1.13 H new ATOM 0 HA LEU A 96 -2.560 -13.756 -1.281 1.00 1.44 H new ATOM 0 HB2 LEU A 96 -2.489 -12.403 0.990 1.00 1.74 H new ATOM 0 HB3 LEU A 96 -1.473 -11.288 0.098 1.00 1.74 H new ATOM 0 HG LEU A 96 -3.313 -10.998 -1.570 1.00 2.31 H new ATOM 0 HD11 LEU A 96 -5.573 -11.764 -0.967 1.00 2.48 H new ATOM 0 HD12 LEU A 96 -4.460 -13.129 -1.223 1.00 2.48 H new ATOM 0 HD13 LEU A 96 -4.900 -12.638 0.429 1.00 2.48 H new ATOM 0 HD21 LEU A 96 -4.727 -9.610 -0.106 1.00 3.10 H new ATOM 0 HD22 LEU A 96 -4.021 -10.403 1.322 1.00 3.10 H new ATOM 0 HD23 LEU A 96 -2.998 -9.405 0.261 1.00 3.10 H new ATOM 1567 N GLY A 97 0.389 -12.594 -1.752 1.00 1.08 N ATOM 1568 CA GLY A 97 1.289 -11.925 -2.663 1.00 1.10 C ATOM 1569 C GLY A 97 1.258 -10.420 -2.503 1.00 1.06 C ATOM 1570 O GLY A 97 2.276 -9.830 -2.149 1.00 1.72 O ATOM 0 H GLY A 97 0.842 -13.038 -0.953 1.00 1.08 H new ATOM 0 HA2 GLY A 97 2.304 -12.285 -2.496 1.00 1.10 H new ATOM 0 HA3 GLY A 97 1.023 -12.184 -3.688 1.00 1.10 H new ATOM 1574 N ALA A 98 0.060 -9.856 -2.662 1.00 0.73 N ATOM 1575 CA ALA A 98 -0.192 -8.404 -2.745 1.00 0.65 C ATOM 1576 C ALA A 98 -1.312 -8.131 -3.751 1.00 0.67 C ATOM 1577 O ALA A 98 -1.760 -9.041 -4.452 1.00 0.82 O ATOM 1578 CB ALA A 98 1.039 -7.610 -3.163 1.00 0.85 C ATOM 0 H ALA A 98 -0.794 -10.409 -2.740 1.00 0.73 H new ATOM 0 HA ALA A 98 -0.474 -8.079 -1.744 1.00 0.65 H new ATOM 0 HB1 ALA A 98 0.791 -6.550 -3.206 1.00 0.85 H new ATOM 0 HB2 ALA A 98 1.837 -7.767 -2.437 1.00 0.85 H new ATOM 0 HB3 ALA A 98 1.372 -7.945 -4.145 1.00 0.85 H new ATOM 1584 N LEU A 99 -1.770 -6.885 -3.809 1.00 0.60 N ATOM 1585 CA LEU A 99 -2.767 -6.479 -4.795 1.00 0.66 C ATOM 1586 C LEU A 99 -2.103 -5.994 -6.088 1.00 0.69 C ATOM 1587 O LEU A 99 -1.564 -6.785 -6.865 1.00 1.35 O ATOM 1588 CB LEU A 99 -3.677 -5.377 -4.240 1.00 0.68 C ATOM 1589 CG LEU A 99 -4.594 -5.783 -3.090 1.00 0.86 C ATOM 1590 CD1 LEU A 99 -5.430 -4.592 -2.641 1.00 1.34 C ATOM 1591 CD2 LEU A 99 -5.491 -6.940 -3.504 1.00 1.05 C ATOM 0 H LEU A 99 -1.467 -6.138 -3.185 1.00 0.60 H new ATOM 0 HA LEU A 99 -3.373 -7.357 -5.019 1.00 0.66 H new ATOM 0 HB2 LEU A 99 -3.050 -4.551 -3.904 1.00 0.68 H new ATOM 0 HB3 LEU A 99 -4.294 -4.999 -5.055 1.00 0.68 H new ATOM 0 HG LEU A 99 -3.978 -6.112 -2.253 1.00 0.86 H new ATOM 0 HD11 LEU A 99 -6.081 -4.893 -1.820 1.00 1.34 H new ATOM 0 HD12 LEU A 99 -4.771 -3.790 -2.307 1.00 1.34 H new ATOM 0 HD13 LEU A 99 -6.037 -4.239 -3.474 1.00 1.34 H new ATOM 0 HD21 LEU A 99 -6.138 -7.215 -2.671 1.00 1.05 H new ATOM 0 HD22 LEU A 99 -6.103 -6.640 -4.354 1.00 1.05 H new ATOM 0 HD23 LEU A 99 -4.876 -7.795 -3.784 1.00 1.05 H new ATOM 1603 N THR A 100 -2.122 -4.680 -6.287 1.00 0.95 N ATOM 1604 CA THR A 100 -1.603 -4.067 -7.498 1.00 1.06 C ATOM 1605 C THR A 100 -0.095 -3.859 -7.398 1.00 0.67 C ATOM 1606 O THR A 100 0.428 -3.581 -6.319 1.00 0.60 O ATOM 1607 CB THR A 100 -2.294 -2.712 -7.739 1.00 1.56 C ATOM 1608 OG1 THR A 100 -3.706 -2.855 -7.527 1.00 2.07 O ATOM 1609 CG2 THR A 100 -2.038 -2.197 -9.151 1.00 2.16 C ATOM 0 H THR A 100 -2.498 -4.013 -5.612 1.00 0.95 H new ATOM 0 HA THR A 100 -1.809 -4.736 -8.334 1.00 1.06 H new ATOM 0 HB THR A 100 -1.880 -1.988 -7.037 1.00 1.56 H new ATOM 0 HG1 THR A 100 -4.082 -1.997 -7.239 1.00 2.07 H new ATOM 0 HG21 THR A 100 -2.541 -1.239 -9.286 1.00 2.16 H new ATOM 0 HG22 THR A 100 -0.966 -2.069 -9.303 1.00 2.16 H new ATOM 0 HG23 THR A 100 -2.424 -2.914 -9.875 1.00 2.16 H new ATOM 1617 N HIS A 101 0.595 -4.001 -8.525 1.00 0.68 N ATOM 1618 CA HIS A 101 2.045 -3.859 -8.555 1.00 0.87 C ATOM 1619 C HIS A 101 2.503 -2.962 -9.692 1.00 0.71 C ATOM 1620 O HIS A 101 1.817 -2.825 -10.705 1.00 1.08 O ATOM 1621 CB HIS A 101 2.736 -5.218 -8.667 1.00 1.65 C ATOM 1622 CG HIS A 101 2.115 -6.154 -9.666 1.00 2.50 C ATOM 1623 ND1 HIS A 101 1.100 -7.034 -9.342 1.00 3.21 N ATOM 1624 CD2 HIS A 101 2.370 -6.351 -10.983 1.00 3.16 C ATOM 1625 CE1 HIS A 101 0.761 -7.725 -10.413 1.00 3.89 C ATOM 1626 NE2 HIS A 101 1.514 -7.332 -11.419 1.00 3.83 N ATOM 0 H HIS A 101 0.173 -4.214 -9.429 1.00 0.68 H new ATOM 0 HA HIS A 101 2.329 -3.393 -7.612 1.00 0.87 H new ATOM 0 HB2 HIS A 101 3.780 -5.059 -8.937 1.00 1.65 H new ATOM 0 HB3 HIS A 101 2.730 -5.696 -7.688 1.00 1.65 H new ATOM 0 HD2 HIS A 101 3.108 -5.833 -11.578 1.00 3.16 H new ATOM 0 HE1 HIS A 101 -0.005 -8.485 -10.457 1.00 3.89 H new ATOM 0 HE2 HIS A 101 1.469 -7.698 -12.370 1.00 3.83 H new ATOM 1635 N PHE A 102 3.694 -2.398 -9.519 1.00 0.78 N ATOM 1636 CA PHE A 102 4.268 -1.456 -10.478 1.00 0.90 C ATOM 1637 C PHE A 102 5.616 -0.955 -9.961 1.00 0.85 C ATOM 1638 O PHE A 102 5.674 -0.279 -8.942 1.00 0.97 O ATOM 1639 CB PHE A 102 3.323 -0.266 -10.699 1.00 1.33 C ATOM 1640 CG PHE A 102 3.413 0.328 -12.072 1.00 1.91 C ATOM 1641 CD1 PHE A 102 2.702 -0.214 -13.128 1.00 2.71 C ATOM 1642 CD2 PHE A 102 4.216 1.431 -12.303 1.00 2.47 C ATOM 1643 CE1 PHE A 102 2.790 0.336 -14.391 1.00 3.59 C ATOM 1644 CE2 PHE A 102 4.308 1.987 -13.563 1.00 3.31 C ATOM 1645 CZ PHE A 102 3.569 1.418 -14.619 1.00 3.75 C ATOM 0 H PHE A 102 4.289 -2.580 -8.711 1.00 0.78 H new ATOM 0 HA PHE A 102 4.409 -1.969 -11.429 1.00 0.90 H new ATOM 0 HB2 PHE A 102 2.298 -0.589 -10.519 1.00 1.33 H new ATOM 0 HB3 PHE A 102 3.547 0.506 -9.963 1.00 1.33 H new ATOM 0 HD1 PHE A 102 2.072 -1.076 -12.963 1.00 2.71 H new ATOM 0 HD2 PHE A 102 4.778 1.862 -11.487 1.00 2.47 H new ATOM 0 HE1 PHE A 102 2.231 -0.102 -15.205 1.00 3.59 H new ATOM 0 HE2 PHE A 102 4.938 2.847 -13.737 1.00 3.31 H new ATOM 0 HZ PHE A 102 3.624 1.845 -15.609 1.00 3.75 H new ATOM 1655 N ALA A 103 6.693 -1.286 -10.664 1.00 0.85 N ATOM 1656 CA ALA A 103 8.040 -0.940 -10.212 1.00 0.92 C ATOM 1657 C ALA A 103 8.555 0.328 -10.887 1.00 1.01 C ATOM 1658 O ALA A 103 9.753 0.458 -11.149 1.00 1.27 O ATOM 1659 CB ALA A 103 8.985 -2.092 -10.498 1.00 1.00 C ATOM 0 H ALA A 103 6.662 -1.793 -11.549 1.00 0.85 H new ATOM 0 HA ALA A 103 7.995 -0.752 -9.139 1.00 0.92 H new ATOM 0 HB1 ALA A 103 9.988 -1.832 -10.160 1.00 1.00 H new ATOM 0 HB2 ALA A 103 8.644 -2.982 -9.970 1.00 1.00 H new ATOM 0 HB3 ALA A 103 9.003 -2.290 -11.570 1.00 1.00 H new ATOM 1665 N LYS A 104 7.656 1.256 -11.168 1.00 1.13 N ATOM 1666 CA LYS A 104 8.025 2.501 -11.824 1.00 1.45 C ATOM 1667 C LYS A 104 7.339 3.677 -11.142 1.00 1.54 C ATOM 1668 O LYS A 104 6.303 3.499 -10.499 1.00 1.48 O ATOM 1669 CB LYS A 104 7.648 2.458 -13.309 1.00 1.74 C ATOM 1670 CG LYS A 104 8.352 1.356 -14.083 1.00 1.85 C ATOM 1671 CD LYS A 104 7.994 1.374 -15.558 1.00 2.35 C ATOM 1672 CE LYS A 104 8.768 0.310 -16.322 1.00 2.97 C ATOM 1673 NZ LYS A 104 10.241 0.498 -16.204 1.00 3.84 N ATOM 0 H LYS A 104 6.663 1.171 -10.952 1.00 1.13 H new ATOM 0 HA LYS A 104 9.105 2.628 -11.744 1.00 1.45 H new ATOM 0 HB2 LYS A 104 6.570 2.322 -13.398 1.00 1.74 H new ATOM 0 HB3 LYS A 104 7.886 3.419 -13.764 1.00 1.74 H new ATOM 0 HG2 LYS A 104 9.430 1.467 -13.971 1.00 1.85 H new ATOM 0 HG3 LYS A 104 8.086 0.388 -13.658 1.00 1.85 H new ATOM 0 HD2 LYS A 104 6.924 1.206 -15.678 1.00 2.35 H new ATOM 0 HD3 LYS A 104 8.211 2.357 -15.976 1.00 2.35 H new ATOM 0 HE2 LYS A 104 8.497 -0.676 -15.945 1.00 2.97 H new ATOM 0 HE3 LYS A 104 8.482 0.339 -17.373 1.00 2.97 H new ATOM 0 HZ1 LYS A 104 10.722 -0.061 -16.938 1.00 3.84 H new ATOM 0 HZ2 LYS A 104 10.473 1.504 -16.327 1.00 3.84 H new ATOM 0 HZ3 LYS A 104 10.557 0.182 -15.265 1.00 3.84 H new ATOM 1687 N PRO A 105 7.907 4.889 -11.260 1.00 2.04 N ATOM 1688 CA PRO A 105 7.298 6.098 -10.706 1.00 2.24 C ATOM 1689 C PRO A 105 5.939 6.378 -11.341 1.00 2.07 C ATOM 1690 O PRO A 105 5.846 6.864 -12.468 1.00 2.65 O ATOM 1691 CB PRO A 105 8.298 7.210 -11.050 1.00 3.14 C ATOM 1692 CG PRO A 105 9.135 6.656 -12.151 1.00 3.33 C ATOM 1693 CD PRO A 105 9.191 5.173 -11.923 1.00 2.66 C ATOM 0 HA PRO A 105 7.112 6.012 -9.635 1.00 2.24 H new ATOM 0 HB2 PRO A 105 7.784 8.118 -11.365 1.00 3.14 H new ATOM 0 HB3 PRO A 105 8.908 7.472 -10.186 1.00 3.14 H new ATOM 0 HG2 PRO A 105 8.701 6.885 -13.124 1.00 3.33 H new ATOM 0 HG3 PRO A 105 10.134 7.091 -12.138 1.00 3.33 H new ATOM 0 HD2 PRO A 105 9.291 4.625 -12.860 1.00 2.66 H new ATOM 0 HD3 PRO A 105 10.039 4.893 -11.297 1.00 2.66 H new ATOM 1701 N PHE A 106 4.887 6.029 -10.618 1.00 1.61 N ATOM 1702 CA PHE A 106 3.530 6.173 -11.121 1.00 1.78 C ATOM 1703 C PHE A 106 2.929 7.518 -10.731 1.00 1.59 C ATOM 1704 O PHE A 106 1.833 7.859 -11.183 1.00 2.24 O ATOM 1705 CB PHE A 106 2.649 5.022 -10.615 1.00 2.13 C ATOM 1706 CG PHE A 106 2.701 4.808 -9.125 1.00 2.84 C ATOM 1707 CD1 PHE A 106 1.823 5.470 -8.284 1.00 2.94 C ATOM 1708 CD2 PHE A 106 3.624 3.936 -8.569 1.00 3.75 C ATOM 1709 CE1 PHE A 106 1.865 5.268 -6.918 1.00 4.02 C ATOM 1710 CE2 PHE A 106 3.670 3.730 -7.205 1.00 4.83 C ATOM 1711 CZ PHE A 106 2.789 4.397 -6.377 1.00 5.00 C ATOM 0 H PHE A 106 4.947 5.642 -9.676 1.00 1.61 H new ATOM 0 HA PHE A 106 3.571 6.133 -12.210 1.00 1.78 H new ATOM 0 HB2 PHE A 106 1.617 5.216 -10.906 1.00 2.13 H new ATOM 0 HB3 PHE A 106 2.953 4.101 -11.113 1.00 2.13 H new ATOM 0 HD1 PHE A 106 1.097 6.152 -8.701 1.00 2.94 H new ATOM 0 HD2 PHE A 106 4.316 3.411 -9.211 1.00 3.75 H new ATOM 0 HE1 PHE A 106 1.175 5.792 -6.273 1.00 4.02 H new ATOM 0 HE2 PHE A 106 4.395 3.048 -6.786 1.00 4.83 H new ATOM 0 HZ PHE A 106 2.823 4.238 -5.309 1.00 5.00 H new ATOM 1721 N ASP A 107 3.660 8.279 -9.907 1.00 1.39 N ATOM 1722 CA ASP A 107 3.189 9.580 -9.414 1.00 1.24 C ATOM 1723 C ASP A 107 2.055 9.417 -8.413 1.00 1.07 C ATOM 1724 O ASP A 107 1.184 8.564 -8.577 1.00 1.07 O ATOM 1725 CB ASP A 107 2.746 10.505 -10.555 1.00 1.39 C ATOM 1726 CG ASP A 107 3.854 11.419 -11.032 1.00 1.56 C ATOM 1727 OD1 ASP A 107 4.025 12.505 -10.439 1.00 1.73 O ATOM 1728 OD2 ASP A 107 4.561 11.061 -11.995 1.00 1.95 O ATOM 0 H ASP A 107 4.584 8.015 -9.566 1.00 1.39 H new ATOM 0 HA ASP A 107 4.038 10.044 -8.912 1.00 1.24 H new ATOM 0 HB2 ASP A 107 2.394 9.901 -11.391 1.00 1.39 H new ATOM 0 HB3 ASP A 107 1.902 11.108 -10.221 1.00 1.39 H new ATOM 1733 N ILE A 108 2.083 10.228 -7.360 1.00 1.00 N ATOM 1734 CA ILE A 108 1.031 10.223 -6.341 1.00 0.93 C ATOM 1735 C ILE A 108 -0.352 10.395 -6.975 1.00 0.89 C ATOM 1736 O ILE A 108 -1.366 9.999 -6.402 1.00 0.79 O ATOM 1737 CB ILE A 108 1.245 11.323 -5.268 1.00 1.00 C ATOM 1738 CG1 ILE A 108 1.049 12.739 -5.840 1.00 0.97 C ATOM 1739 CG2 ILE A 108 2.628 11.187 -4.644 1.00 1.25 C ATOM 1740 CD1 ILE A 108 2.126 13.190 -6.806 1.00 1.29 C ATOM 0 H ILE A 108 2.828 10.903 -7.187 1.00 1.00 H new ATOM 0 HA ILE A 108 1.086 9.252 -5.849 1.00 0.93 H new ATOM 0 HB ILE A 108 0.487 11.180 -4.498 1.00 1.00 H new ATOM 0 HG12 ILE A 108 0.085 12.780 -6.348 1.00 0.97 H new ATOM 0 HG13 ILE A 108 1.004 13.447 -5.012 1.00 0.97 H new ATOM 0 HG21 ILE A 108 2.766 11.964 -3.893 1.00 1.25 H new ATOM 0 HG22 ILE A 108 2.721 10.208 -4.174 1.00 1.25 H new ATOM 0 HG23 ILE A 108 3.388 11.291 -5.418 1.00 1.25 H new ATOM 0 HD11 ILE A 108 1.902 14.198 -7.155 1.00 1.29 H new ATOM 0 HD12 ILE A 108 3.092 13.187 -6.301 1.00 1.29 H new ATOM 0 HD13 ILE A 108 2.159 12.510 -7.657 1.00 1.29 H new ATOM 1752 N ASP A 109 -0.371 10.962 -8.177 1.00 1.01 N ATOM 1753 CA ASP A 109 -1.593 11.128 -8.948 1.00 1.07 C ATOM 1754 C ASP A 109 -2.299 9.788 -9.107 1.00 1.02 C ATOM 1755 O ASP A 109 -3.501 9.673 -8.885 1.00 1.00 O ATOM 1756 CB ASP A 109 -1.243 11.673 -10.326 1.00 1.27 C ATOM 1757 CG ASP A 109 -2.449 12.206 -11.072 1.00 1.57 C ATOM 1758 OD1 ASP A 109 -3.329 11.406 -11.452 1.00 1.92 O ATOM 1759 OD2 ASP A 109 -2.511 13.431 -11.296 1.00 1.84 O ATOM 0 H ASP A 109 0.463 11.319 -8.643 1.00 1.01 H new ATOM 0 HA ASP A 109 -2.253 11.821 -8.426 1.00 1.07 H new ATOM 0 HB2 ASP A 109 -0.506 12.469 -10.220 1.00 1.27 H new ATOM 0 HB3 ASP A 109 -0.777 10.884 -10.916 1.00 1.27 H new ATOM 1764 N GLU A 110 -1.528 8.770 -9.463 1.00 1.04 N ATOM 1765 CA GLU A 110 -2.062 7.427 -9.633 1.00 1.04 C ATOM 1766 C GLU A 110 -2.602 6.856 -8.325 1.00 0.93 C ATOM 1767 O GLU A 110 -3.496 6.024 -8.354 1.00 0.95 O ATOM 1768 CB GLU A 110 -1.001 6.488 -10.206 1.00 1.14 C ATOM 1769 CG GLU A 110 -1.032 6.383 -11.722 1.00 1.12 C ATOM 1770 CD GLU A 110 -2.293 5.712 -12.230 1.00 1.57 C ATOM 1771 OE1 GLU A 110 -3.291 6.415 -12.482 1.00 2.06 O ATOM 1772 OE2 GLU A 110 -2.292 4.475 -12.387 1.00 2.07 O ATOM 0 H GLU A 110 -0.527 8.850 -9.640 1.00 1.04 H new ATOM 0 HA GLU A 110 -2.892 7.504 -10.336 1.00 1.04 H new ATOM 0 HB2 GLU A 110 -0.016 6.835 -9.895 1.00 1.14 H new ATOM 0 HB3 GLU A 110 -1.139 5.495 -9.779 1.00 1.14 H new ATOM 0 HG2 GLU A 110 -0.956 7.381 -12.154 1.00 1.12 H new ATOM 0 HG3 GLU A 110 -0.162 5.821 -12.062 1.00 1.12 H new ATOM 1779 N ILE A 111 -2.074 7.300 -7.185 1.00 0.83 N ATOM 1780 CA ILE A 111 -2.496 6.755 -5.901 1.00 0.75 C ATOM 1781 C ILE A 111 -3.771 7.431 -5.408 1.00 0.70 C ATOM 1782 O ILE A 111 -4.637 6.773 -4.837 1.00 0.71 O ATOM 1783 CB ILE A 111 -1.363 6.844 -4.853 1.00 0.76 C ATOM 1784 CG1 ILE A 111 -1.403 5.611 -3.954 1.00 1.24 C ATOM 1785 CG2 ILE A 111 -1.444 8.115 -4.015 1.00 0.75 C ATOM 1786 CD1 ILE A 111 -0.991 4.336 -4.656 1.00 1.61 C ATOM 0 H ILE A 111 -1.361 8.027 -7.126 1.00 0.83 H new ATOM 0 HA ILE A 111 -2.721 5.698 -6.046 1.00 0.75 H new ATOM 0 HB ILE A 111 -0.415 6.881 -5.390 1.00 0.76 H new ATOM 0 HG12 ILE A 111 -0.747 5.774 -3.099 1.00 1.24 H new ATOM 0 HG13 ILE A 111 -2.413 5.490 -3.562 1.00 1.24 H new ATOM 0 HG21 ILE A 111 -0.626 8.129 -3.295 1.00 0.75 H new ATOM 0 HG22 ILE A 111 -1.368 8.986 -4.666 1.00 0.75 H new ATOM 0 HG23 ILE A 111 -2.396 8.141 -3.484 1.00 0.75 H new ATOM 0 HD11 ILE A 111 -1.044 3.502 -3.956 1.00 1.61 H new ATOM 0 HD12 ILE A 111 -1.662 4.149 -5.494 1.00 1.61 H new ATOM 0 HD13 ILE A 111 0.030 4.437 -5.024 1.00 1.61 H new ATOM 1798 N ARG A 112 -3.914 8.728 -5.659 1.00 0.72 N ATOM 1799 CA ARG A 112 -5.152 9.414 -5.319 1.00 0.75 C ATOM 1800 C ARG A 112 -6.250 8.980 -6.282 1.00 0.81 C ATOM 1801 O ARG A 112 -7.415 8.826 -5.901 1.00 0.85 O ATOM 1802 CB ARG A 112 -4.971 10.938 -5.333 1.00 0.85 C ATOM 1803 CG ARG A 112 -4.358 11.483 -6.606 1.00 1.09 C ATOM 1804 CD ARG A 112 -4.078 12.966 -6.481 1.00 1.50 C ATOM 1805 NE ARG A 112 -5.300 13.765 -6.497 1.00 1.51 N ATOM 1806 CZ ARG A 112 -5.356 15.046 -6.137 1.00 1.75 C ATOM 1807 NH1 ARG A 112 -4.270 15.672 -5.699 1.00 2.13 N ATOM 1808 NH2 ARG A 112 -6.502 15.707 -6.223 1.00 2.25 N ATOM 0 H ARG A 112 -3.200 9.316 -6.089 1.00 0.72 H new ATOM 0 HA ARG A 112 -5.439 9.139 -4.304 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -5.942 11.409 -5.181 1.00 0.85 H new ATOM 0 HB3 ARG A 112 -4.343 11.225 -4.490 1.00 0.85 H new ATOM 0 HG2 ARG A 112 -3.432 10.951 -6.825 1.00 1.09 H new ATOM 0 HG3 ARG A 112 -5.033 11.306 -7.444 1.00 1.09 H new ATOM 0 HD2 ARG A 112 -3.536 13.154 -5.554 1.00 1.50 H new ATOM 0 HD3 ARG A 112 -3.430 13.281 -7.299 1.00 1.50 H new ATOM 0 HE ARG A 112 -6.163 13.315 -6.802 1.00 1.51 H new ATOM 0 HH11 ARG A 112 -3.383 15.172 -5.636 1.00 2.13 H new ATOM 0 HH12 ARG A 112 -4.322 16.653 -5.425 1.00 2.13 H new ATOM 0 HH21 ARG A 112 -7.339 15.234 -6.564 1.00 2.25 H new ATOM 0 HH22 ARG A 112 -6.547 16.688 -5.948 1.00 2.25 H new ATOM 1822 N ASP A 113 -5.866 8.737 -7.528 1.00 0.86 N ATOM 1823 CA ASP A 113 -6.794 8.208 -8.506 1.00 0.94 C ATOM 1824 C ASP A 113 -7.084 6.751 -8.188 1.00 0.93 C ATOM 1825 O ASP A 113 -8.190 6.281 -8.403 1.00 0.98 O ATOM 1826 CB ASP A 113 -6.236 8.354 -9.920 1.00 1.05 C ATOM 1827 CG ASP A 113 -7.313 8.212 -10.974 1.00 1.17 C ATOM 1828 OD1 ASP A 113 -7.581 7.076 -11.407 1.00 1.23 O ATOM 1829 OD2 ASP A 113 -7.911 9.238 -11.362 1.00 1.32 O ATOM 0 H ASP A 113 -4.922 8.898 -7.880 1.00 0.86 H new ATOM 0 HA ASP A 113 -7.723 8.776 -8.459 1.00 0.94 H new ATOM 0 HB2 ASP A 113 -5.756 9.327 -10.021 1.00 1.05 H new ATOM 0 HB3 ASP A 113 -5.466 7.600 -10.085 1.00 1.05 H new ATOM 1834 N ALA A 114 -6.087 6.046 -7.646 1.00 0.92 N ATOM 1835 CA ALA A 114 -6.276 4.675 -7.177 1.00 0.95 C ATOM 1836 C ALA A 114 -7.297 4.644 -6.058 1.00 0.91 C ATOM 1837 O ALA A 114 -8.048 3.680 -5.914 1.00 0.95 O ATOM 1838 CB ALA A 114 -4.964 4.069 -6.706 1.00 1.03 C ATOM 0 H ALA A 114 -5.140 6.405 -7.522 1.00 0.92 H new ATOM 0 HA ALA A 114 -6.642 4.079 -8.013 1.00 0.95 H new ATOM 0 HB1 ALA A 114 -5.137 3.049 -6.363 1.00 1.03 H new ATOM 0 HB2 ALA A 114 -4.251 4.059 -7.531 1.00 1.03 H new ATOM 0 HB3 ALA A 114 -4.562 4.664 -5.886 1.00 1.03 H new ATOM 1844 N VAL A 115 -7.319 5.706 -5.262 1.00 0.89 N ATOM 1845 CA VAL A 115 -8.363 5.873 -4.272 1.00 1.01 C ATOM 1846 C VAL A 115 -9.709 5.976 -4.974 1.00 1.06 C ATOM 1847 O VAL A 115 -10.670 5.304 -4.616 1.00 1.17 O ATOM 1848 CB VAL A 115 -8.153 7.126 -3.395 1.00 1.14 C ATOM 1849 CG1 VAL A 115 -9.295 7.277 -2.406 1.00 1.83 C ATOM 1850 CG2 VAL A 115 -6.823 7.058 -2.669 1.00 1.13 C ATOM 0 H VAL A 115 -6.629 6.457 -5.286 1.00 0.89 H new ATOM 0 HA VAL A 115 -8.331 5.003 -3.616 1.00 1.01 H new ATOM 0 HB VAL A 115 -8.140 8.001 -4.045 1.00 1.14 H new ATOM 0 HG11 VAL A 115 -9.132 8.165 -1.795 1.00 1.83 H new ATOM 0 HG12 VAL A 115 -10.235 7.377 -2.948 1.00 1.83 H new ATOM 0 HG13 VAL A 115 -9.339 6.398 -1.764 1.00 1.83 H new ATOM 0 HG21 VAL A 115 -6.696 7.951 -2.057 1.00 1.13 H new ATOM 0 HG22 VAL A 115 -6.802 6.175 -2.031 1.00 1.13 H new ATOM 0 HG23 VAL A 115 -6.014 6.999 -3.397 1.00 1.13 H new ATOM 1860 N LYS A 116 -9.755 6.800 -6.007 1.00 1.06 N ATOM 1861 CA LYS A 116 -10.965 6.959 -6.802 1.00 1.22 C ATOM 1862 C LYS A 116 -11.246 5.679 -7.599 1.00 1.24 C ATOM 1863 O LYS A 116 -12.338 5.497 -8.140 1.00 1.48 O ATOM 1864 CB LYS A 116 -10.811 8.149 -7.754 1.00 1.30 C ATOM 1865 CG LYS A 116 -12.127 8.695 -8.284 1.00 2.03 C ATOM 1866 CD LYS A 116 -12.922 9.384 -7.187 1.00 2.39 C ATOM 1867 CE LYS A 116 -14.181 10.032 -7.733 1.00 3.01 C ATOM 1868 NZ LYS A 116 -14.887 10.824 -6.693 1.00 3.72 N ATOM 0 H LYS A 116 -8.968 7.371 -6.317 1.00 1.06 H new ATOM 0 HA LYS A 116 -11.805 7.146 -6.133 1.00 1.22 H new ATOM 0 HB2 LYS A 116 -10.281 8.948 -7.236 1.00 1.30 H new ATOM 0 HB3 LYS A 116 -10.189 7.848 -8.597 1.00 1.30 H new ATOM 0 HG2 LYS A 116 -11.931 9.400 -9.092 1.00 2.03 H new ATOM 0 HG3 LYS A 116 -12.717 7.882 -8.707 1.00 2.03 H new ATOM 0 HD2 LYS A 116 -13.189 8.658 -6.420 1.00 2.39 H new ATOM 0 HD3 LYS A 116 -12.301 10.141 -6.707 1.00 2.39 H new ATOM 0 HE2 LYS A 116 -13.923 10.680 -8.571 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -14.848 9.262 -8.119 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -15.742 11.252 -7.103 1.00 3.72 H new ATOM 0 HZ2 LYS A 116 -15.155 10.201 -5.905 1.00 3.72 H new ATOM 0 HZ3 LYS A 116 -14.259 11.575 -6.342 1.00 3.72 H new ATOM 1882 N LYS A 117 -10.245 4.804 -7.668 1.00 1.07 N ATOM 1883 CA LYS A 117 -10.364 3.547 -8.396 1.00 1.13 C ATOM 1884 C LYS A 117 -10.993 2.451 -7.538 1.00 1.02 C ATOM 1885 O LYS A 117 -12.075 1.962 -7.859 1.00 1.07 O ATOM 1886 CB LYS A 117 -8.998 3.057 -8.896 1.00 1.24 C ATOM 1887 CG LYS A 117 -8.406 3.856 -10.044 1.00 1.58 C ATOM 1888 CD LYS A 117 -6.990 3.396 -10.354 1.00 2.03 C ATOM 1889 CE LYS A 117 -6.322 4.272 -11.403 1.00 2.71 C ATOM 1890 NZ LYS A 117 -4.909 3.872 -11.639 1.00 3.47 N ATOM 0 H LYS A 117 -9.337 4.946 -7.225 1.00 1.07 H new ATOM 0 HA LYS A 117 -11.013 3.749 -9.248 1.00 1.13 H new ATOM 0 HB2 LYS A 117 -8.296 3.074 -8.062 1.00 1.24 H new ATOM 0 HB3 LYS A 117 -9.095 2.018 -9.210 1.00 1.24 H new ATOM 0 HG2 LYS A 117 -9.031 3.744 -10.930 1.00 1.58 H new ATOM 0 HG3 LYS A 117 -8.401 4.916 -9.790 1.00 1.58 H new ATOM 0 HD2 LYS A 117 -6.397 3.409 -9.440 1.00 2.03 H new ATOM 0 HD3 LYS A 117 -7.013 2.364 -10.705 1.00 2.03 H new ATOM 0 HE2 LYS A 117 -6.879 4.208 -12.338 1.00 2.71 H new ATOM 0 HE3 LYS A 117 -6.356 5.313 -11.082 1.00 2.71 H new ATOM 0 HZ1 LYS A 117 -4.551 4.348 -12.492 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -4.329 4.146 -10.820 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -4.857 2.842 -11.771 1.00 3.47 H new ATOM 1904 N TYR A 118 -10.319 2.055 -6.452 1.00 0.95 N ATOM 1905 CA TYR A 118 -10.719 0.834 -5.748 1.00 0.95 C ATOM 1906 C TYR A 118 -10.294 0.767 -4.279 1.00 1.19 C ATOM 1907 O TYR A 118 -10.541 -0.247 -3.621 1.00 1.58 O ATOM 1908 CB TYR A 118 -10.128 -0.378 -6.466 1.00 1.75 C ATOM 1909 CG TYR A 118 -8.614 -0.466 -6.394 1.00 1.89 C ATOM 1910 CD1 TYR A 118 -7.808 0.405 -7.118 1.00 2.44 C ATOM 1911 CD2 TYR A 118 -7.992 -1.423 -5.598 1.00 1.87 C ATOM 1912 CE1 TYR A 118 -6.433 0.329 -7.051 1.00 2.86 C ATOM 1913 CE2 TYR A 118 -6.613 -1.506 -5.525 1.00 2.31 C ATOM 1914 CZ TYR A 118 -5.839 -0.624 -6.254 1.00 2.77 C ATOM 1915 OH TYR A 118 -4.470 -0.693 -6.193 1.00 3.35 O ATOM 0 H TYR A 118 -9.519 2.545 -6.052 1.00 0.95 H new ATOM 0 HA TYR A 118 -11.809 0.838 -5.759 1.00 0.95 H new ATOM 0 HB2 TYR A 118 -10.554 -1.284 -6.036 1.00 1.75 H new ATOM 0 HB3 TYR A 118 -10.430 -0.349 -7.513 1.00 1.75 H new ATOM 0 HD1 TYR A 118 -8.267 1.155 -7.745 1.00 2.44 H new ATOM 0 HD2 TYR A 118 -8.596 -2.113 -5.027 1.00 1.87 H new ATOM 0 HE1 TYR A 118 -5.824 1.014 -7.622 1.00 2.86 H new ATOM 0 HE2 TYR A 118 -6.145 -2.255 -4.903 1.00 2.31 H new ATOM 0 HH TYR A 118 -4.156 -0.249 -5.378 1.00 3.35 H new ATOM 1925 N LEU A 119 -9.647 1.796 -3.753 1.00 1.95 N ATOM 1926 CA LEU A 119 -9.181 1.720 -2.369 1.00 3.13 C ATOM 1927 C LEU A 119 -10.369 1.732 -1.389 1.00 3.69 C ATOM 1928 O LEU A 119 -10.507 0.813 -0.581 1.00 4.16 O ATOM 1929 CB LEU A 119 -8.153 2.820 -2.058 1.00 3.96 C ATOM 1930 CG LEU A 119 -6.868 2.753 -2.894 1.00 4.75 C ATOM 1931 CD1 LEU A 119 -5.829 3.723 -2.360 1.00 5.37 C ATOM 1932 CD2 LEU A 119 -6.313 1.339 -2.917 1.00 5.51 C ATOM 0 H LEU A 119 -9.436 2.667 -4.240 1.00 1.95 H new ATOM 0 HA LEU A 119 -8.664 0.769 -2.237 1.00 3.13 H new ATOM 0 HB2 LEU A 119 -8.622 3.791 -2.215 1.00 3.96 H new ATOM 0 HB3 LEU A 119 -7.887 2.762 -1.003 1.00 3.96 H new ATOM 0 HG LEU A 119 -7.114 3.041 -3.916 1.00 4.75 H new ATOM 0 HD11 LEU A 119 -4.926 3.659 -2.967 1.00 5.37 H new ATOM 0 HD12 LEU A 119 -6.224 4.738 -2.402 1.00 5.37 H new ATOM 0 HD13 LEU A 119 -5.591 3.469 -1.327 1.00 5.37 H new ATOM 0 HD21 LEU A 119 -5.402 1.315 -3.515 1.00 5.51 H new ATOM 0 HD22 LEU A 119 -6.087 1.020 -1.899 1.00 5.51 H new ATOM 0 HD23 LEU A 119 -7.051 0.666 -3.353 1.00 5.51 H new ATOM 1944 N PRO A 120 -11.239 2.763 -1.429 1.00 4.08 N ATOM 1945 CA PRO A 120 -12.513 2.738 -0.727 1.00 4.76 C ATOM 1946 C PRO A 120 -13.625 2.166 -1.603 1.00 5.30 C ATOM 1947 O PRO A 120 -14.221 1.134 -1.289 1.00 5.67 O ATOM 1948 CB PRO A 120 -12.802 4.211 -0.440 1.00 5.36 C ATOM 1949 CG PRO A 120 -11.915 5.006 -1.346 1.00 5.32 C ATOM 1950 CD PRO A 120 -11.039 4.042 -2.106 1.00 4.35 C ATOM 0 HA PRO A 120 -12.470 2.114 0.166 1.00 4.76 H new ATOM 0 HB2 PRO A 120 -13.851 4.443 -0.624 1.00 5.36 H new ATOM 0 HB3 PRO A 120 -12.601 4.449 0.605 1.00 5.36 H new ATOM 0 HG2 PRO A 120 -12.512 5.603 -2.036 1.00 5.32 H new ATOM 0 HG3 PRO A 120 -11.305 5.701 -0.768 1.00 5.32 H new ATOM 0 HD2 PRO A 120 -11.327 3.986 -3.156 1.00 4.35 H new ATOM 0 HD3 PRO A 120 -9.993 4.348 -2.078 1.00 4.35 H new ATOM 1958 N LEU A 121 -13.902 2.875 -2.695 1.00 5.76 N ATOM 1959 CA LEU A 121 -14.908 2.470 -3.664 1.00 6.64 C ATOM 1960 C LEU A 121 -14.612 1.083 -4.218 1.00 7.21 C ATOM 1961 O LEU A 121 -13.459 0.695 -4.388 1.00 8.02 O ATOM 1962 CB LEU A 121 -15.000 3.474 -4.827 1.00 7.00 C ATOM 1963 CG LEU A 121 -15.503 4.882 -4.472 1.00 7.64 C ATOM 1964 CD1 LEU A 121 -16.715 4.813 -3.552 1.00 8.32 C ATOM 1965 CD2 LEU A 121 -14.396 5.723 -3.855 1.00 8.23 C ATOM 0 H LEU A 121 -13.431 3.749 -2.930 1.00 5.76 H new ATOM 0 HA LEU A 121 -15.864 2.447 -3.140 1.00 6.64 H new ATOM 0 HB2 LEU A 121 -14.012 3.567 -5.278 1.00 7.00 H new ATOM 0 HB3 LEU A 121 -15.659 3.057 -5.588 1.00 7.00 H new ATOM 0 HG LEU A 121 -15.811 5.368 -5.398 1.00 7.64 H new ATOM 0 HD11 LEU A 121 -17.051 5.823 -3.316 1.00 8.32 H new ATOM 0 HD12 LEU A 121 -17.519 4.270 -4.049 1.00 8.32 H new ATOM 0 HD13 LEU A 121 -16.444 4.297 -2.631 1.00 8.32 H new ATOM 0 HD21 LEU A 121 -14.782 6.713 -3.615 1.00 8.23 H new ATOM 0 HD22 LEU A 121 -14.038 5.242 -2.944 1.00 8.23 H new ATOM 0 HD23 LEU A 121 -13.573 5.817 -4.563 1.00 8.23 H new ATOM 1977 N LYS A 122 -15.675 0.346 -4.472 1.00 6.97 N ATOM 1978 CA LYS A 122 -15.594 -0.990 -5.024 1.00 7.57 C ATOM 1979 C LYS A 122 -15.313 -0.958 -6.531 1.00 7.91 C ATOM 1980 O LYS A 122 -14.820 0.032 -7.067 1.00 8.21 O ATOM 1981 CB LYS A 122 -16.927 -1.660 -4.773 1.00 7.50 C ATOM 1982 CG LYS A 122 -18.047 -0.996 -5.545 1.00 7.88 C ATOM 1983 CD LYS A 122 -19.361 -1.724 -5.383 1.00 8.29 C ATOM 1984 CE LYS A 122 -20.529 -0.752 -5.283 1.00 8.52 C ATOM 1985 NZ LYS A 122 -20.534 0.248 -6.386 1.00 9.01 N ATOM 0 H LYS A 122 -16.629 0.662 -4.299 1.00 6.97 H new ATOM 0 HA LYS A 122 -14.776 -1.533 -4.551 1.00 7.57 H new ATOM 0 HB2 LYS A 122 -16.864 -2.711 -5.056 1.00 7.50 H new ATOM 0 HB3 LYS A 122 -17.153 -1.630 -3.707 1.00 7.50 H new ATOM 0 HG2 LYS A 122 -18.160 0.034 -5.205 1.00 7.88 H new ATOM 0 HG3 LYS A 122 -17.784 -0.956 -6.602 1.00 7.88 H new ATOM 0 HD2 LYS A 122 -19.514 -2.393 -6.230 1.00 8.29 H new ATOM 0 HD3 LYS A 122 -19.326 -2.346 -4.488 1.00 8.29 H new ATOM 0 HE2 LYS A 122 -21.465 -1.311 -5.299 1.00 8.52 H new ATOM 0 HE3 LYS A 122 -20.484 -0.232 -4.326 1.00 8.52 H new ATOM 0 HZ1 LYS A 122 -21.490 0.643 -6.492 1.00 9.01 H new ATOM 0 HZ2 LYS A 122 -19.866 1.014 -6.164 1.00 9.01 H new ATOM 0 HZ3 LYS A 122 -20.249 -0.213 -7.274 1.00 9.01 H new ATOM 1999 N SER A 123 -15.679 -2.036 -7.212 1.00 8.13 N ATOM 2000 CA SER A 123 -15.462 -2.152 -8.647 1.00 8.74 C ATOM 2001 C SER A 123 -16.771 -2.517 -9.347 1.00 9.13 C ATOM 2002 O SER A 123 -16.893 -2.402 -10.568 1.00 9.77 O ATOM 2003 CB SER A 123 -14.380 -3.197 -8.938 1.00 9.55 C ATOM 2004 OG SER A 123 -14.129 -3.319 -10.330 1.00 10.02 O ATOM 0 H SER A 123 -16.130 -2.847 -6.790 1.00 8.13 H new ATOM 0 HA SER A 123 -15.120 -1.191 -9.033 1.00 8.74 H new ATOM 0 HB2 SER A 123 -13.459 -2.920 -8.425 1.00 9.55 H new ATOM 0 HB3 SER A 123 -14.690 -4.163 -8.538 1.00 9.55 H new ATOM 0 HG SER A 123 -14.891 -2.961 -10.832 1.00 10.02 H new ATOM 2010 N ASN A 124 -17.758 -2.942 -8.564 1.00 8.97 N ATOM 2011 CA ASN A 124 -19.061 -3.301 -9.101 1.00 9.58 C ATOM 2012 C ASN A 124 -19.876 -2.037 -9.325 1.00 9.85 C ATOM 2013 O ASN A 124 -20.361 -1.441 -8.371 1.00 10.46 O ATOM 2014 CB ASN A 124 -19.775 -4.252 -8.133 1.00 9.87 C ATOM 2015 CG ASN A 124 -21.184 -4.615 -8.563 1.00 10.41 C ATOM 2016 OD1 ASN A 124 -21.510 -4.624 -9.751 1.00 10.72 O ATOM 2017 ND2 ASN A 124 -22.027 -4.923 -7.589 1.00 10.73 N ATOM 0 H ASN A 124 -17.677 -3.046 -7.553 1.00 8.97 H new ATOM 0 HA ASN A 124 -18.943 -3.813 -10.056 1.00 9.58 H new ATOM 0 HB2 ASN A 124 -19.188 -5.165 -8.035 1.00 9.87 H new ATOM 0 HB3 ASN A 124 -19.813 -3.791 -7.146 1.00 9.87 H new ATOM 0 HD21 ASN A 124 -22.989 -5.181 -7.810 1.00 10.73 H new ATOM 0 HD22 ASN A 124 -21.714 -4.902 -6.618 1.00 10.73 H new ATOM 2024 N LEU A 125 -19.987 -1.626 -10.586 1.00 9.60 N ATOM 2025 CA LEU A 125 -20.616 -0.356 -10.953 1.00 10.02 C ATOM 2026 C LEU A 125 -19.727 0.810 -10.537 1.00 10.81 C ATOM 2027 O LEU A 125 -19.919 1.405 -9.473 1.00 11.19 O ATOM 2028 CB LEU A 125 -22.014 -0.194 -10.329 1.00 10.19 C ATOM 2029 CG LEU A 125 -23.063 -1.211 -10.776 1.00 10.16 C ATOM 2030 CD1 LEU A 125 -24.367 -0.992 -10.027 1.00 10.20 C ATOM 2031 CD2 LEU A 125 -23.292 -1.115 -12.273 1.00 10.52 C ATOM 0 H LEU A 125 -19.644 -2.162 -11.383 1.00 9.60 H new ATOM 0 HA LEU A 125 -20.738 -0.359 -12.036 1.00 10.02 H new ATOM 0 HB2 LEU A 125 -21.917 -0.253 -9.245 1.00 10.19 H new ATOM 0 HB3 LEU A 125 -22.382 0.805 -10.562 1.00 10.19 H new ATOM 0 HG LEU A 125 -22.694 -2.210 -10.546 1.00 10.16 H new ATOM 0 HD11 LEU A 125 -25.104 -1.724 -10.357 1.00 10.20 H new ATOM 0 HD12 LEU A 125 -24.196 -1.107 -8.957 1.00 10.20 H new ATOM 0 HD13 LEU A 125 -24.738 0.013 -10.229 1.00 10.20 H new ATOM 0 HD21 LEU A 125 -24.042 -1.846 -12.574 1.00 10.52 H new ATOM 0 HD22 LEU A 125 -23.641 -0.113 -12.524 1.00 10.52 H new ATOM 0 HD23 LEU A 125 -22.358 -1.316 -12.798 1.00 10.52 H new ATOM 2043 N GLU A 126 -18.727 1.112 -11.359 1.00 11.23 N ATOM 2044 CA GLU A 126 -17.852 2.247 -11.100 1.00 12.15 C ATOM 2045 C GLU A 126 -18.614 3.555 -11.282 1.00 12.62 C ATOM 2046 O GLU A 126 -18.473 4.490 -10.499 1.00 12.75 O ATOM 2047 CB GLU A 126 -16.593 2.193 -11.991 1.00 12.73 C ATOM 2048 CG GLU A 126 -16.817 1.674 -13.414 1.00 12.68 C ATOM 2049 CD GLU A 126 -17.521 2.663 -14.326 1.00 13.31 C ATOM 2050 OE1 GLU A 126 -16.895 3.671 -14.719 1.00 13.59 O ATOM 2051 OE2 GLU A 126 -18.708 2.443 -14.641 1.00 13.65 O ATOM 0 H GLU A 126 -18.504 0.589 -12.206 1.00 11.23 H new ATOM 0 HA GLU A 126 -17.515 2.195 -10.065 1.00 12.15 H new ATOM 0 HB2 GLU A 126 -16.168 3.195 -12.051 1.00 12.73 H new ATOM 0 HB3 GLU A 126 -15.851 1.560 -11.504 1.00 12.73 H new ATOM 0 HG2 GLU A 126 -15.853 1.414 -13.851 1.00 12.68 H new ATOM 0 HG3 GLU A 126 -17.404 0.757 -13.367 1.00 12.68 H new ATOM 2058 N HIS A 127 -19.426 3.593 -12.323 1.00 13.05 N ATOM 2059 CA HIS A 127 -20.323 4.705 -12.592 1.00 13.73 C ATOM 2060 C HIS A 127 -21.589 4.147 -13.213 1.00 14.46 C ATOM 2061 O HIS A 127 -22.702 4.525 -12.852 1.00 15.02 O ATOM 2062 CB HIS A 127 -19.694 5.719 -13.557 1.00 13.95 C ATOM 2063 CG HIS A 127 -18.448 6.376 -13.050 1.00 13.92 C ATOM 2064 ND1 HIS A 127 -17.184 5.947 -13.391 1.00 13.85 N ATOM 2065 CD2 HIS A 127 -18.274 7.443 -12.236 1.00 14.14 C ATOM 2066 CE1 HIS A 127 -16.288 6.721 -12.811 1.00 14.02 C ATOM 2067 NE2 HIS A 127 -16.922 7.636 -12.106 1.00 14.19 N ATOM 0 H HIS A 127 -19.483 2.845 -13.014 1.00 13.05 H new ATOM 0 HA HIS A 127 -20.534 5.223 -11.656 1.00 13.73 H new ATOM 0 HB2 HIS A 127 -19.466 5.214 -14.495 1.00 13.95 H new ATOM 0 HB3 HIS A 127 -20.430 6.491 -13.782 1.00 13.95 H new ATOM 0 HD1 HIS A 127 -16.974 5.154 -13.998 1.00 13.85 H new ATOM 0 HD2 HIS A 127 -19.053 8.032 -11.775 1.00 14.14 H new ATOM 0 HE1 HIS A 127 -15.216 6.622 -12.899 1.00 14.02 H new ATOM 2076 N HIS A 128 -21.395 3.235 -14.159 1.00 14.57 N ATOM 2077 CA HIS A 128 -22.496 2.565 -14.835 1.00 15.36 C ATOM 2078 C HIS A 128 -22.079 1.146 -15.215 1.00 15.73 C ATOM 2079 O HIS A 128 -21.122 0.600 -14.665 1.00 15.78 O ATOM 2080 CB HIS A 128 -22.921 3.320 -16.105 1.00 15.59 C ATOM 2081 CG HIS A 128 -23.391 4.726 -15.888 1.00 16.16 C ATOM 2082 ND1 HIS A 128 -24.676 5.046 -15.503 1.00 16.55 N ATOM 2083 CD2 HIS A 128 -22.741 5.905 -16.025 1.00 16.56 C ATOM 2084 CE1 HIS A 128 -24.793 6.356 -15.416 1.00 17.14 C ATOM 2085 NE2 HIS A 128 -23.634 6.901 -15.727 1.00 17.17 N ATOM 0 H HIS A 128 -20.472 2.941 -14.477 1.00 14.57 H new ATOM 0 HA HIS A 128 -23.343 2.540 -14.149 1.00 15.36 H new ATOM 0 HB2 HIS A 128 -22.078 3.339 -16.796 1.00 15.59 H new ATOM 0 HB3 HIS A 128 -23.719 2.759 -16.591 1.00 15.59 H new ATOM 0 HD1 HIS A 128 -25.420 4.374 -15.315 1.00 16.55 H new ATOM 0 HD2 HIS A 128 -21.709 6.037 -16.315 1.00 16.56 H new ATOM 0 HE1 HIS A 128 -25.688 6.892 -15.137 1.00 17.14 H new ATOM 2094 N HIS A 129 -22.809 0.572 -16.158 1.00 16.11 N ATOM 2095 CA HIS A 129 -22.540 -0.761 -16.690 1.00 16.58 C ATOM 2096 C HIS A 129 -23.529 -1.004 -17.819 1.00 17.23 C ATOM 2097 O HIS A 129 -23.169 -1.456 -18.905 1.00 17.50 O ATOM 2098 CB HIS A 129 -22.693 -1.840 -15.609 1.00 16.58 C ATOM 2099 CG HIS A 129 -21.523 -2.771 -15.496 1.00 16.90 C ATOM 2100 ND1 HIS A 129 -21.438 -3.758 -14.532 1.00 16.88 N ATOM 2101 CD2 HIS A 129 -20.381 -2.861 -16.220 1.00 17.40 C ATOM 2102 CE1 HIS A 129 -20.296 -4.409 -14.671 1.00 17.35 C ATOM 2103 NE2 HIS A 129 -19.638 -3.886 -15.687 1.00 17.66 N ATOM 0 H HIS A 129 -23.618 1.023 -16.584 1.00 16.11 H new ATOM 0 HA HIS A 129 -21.512 -0.816 -17.049 1.00 16.58 H new ATOM 0 HB2 HIS A 129 -22.849 -1.353 -14.646 1.00 16.58 H new ATOM 0 HB3 HIS A 129 -23.588 -2.425 -15.820 1.00 16.58 H new ATOM 0 HD2 HIS A 129 -20.106 -2.241 -17.061 1.00 17.40 H new ATOM 0 HE1 HIS A 129 -19.959 -5.230 -14.056 1.00 17.35 H new ATOM 0 HE2 HIS A 129 -18.725 -4.193 -16.023 1.00 17.66 H new ATOM 2112 N HIS A 130 -24.788 -0.691 -17.529 1.00 17.61 N ATOM 2113 CA HIS A 130 -25.833 -0.607 -18.547 1.00 18.35 C ATOM 2114 C HIS A 130 -27.052 0.140 -18.000 1.00 19.00 C ATOM 2115 O HIS A 130 -28.055 0.296 -18.685 1.00 19.31 O ATOM 2116 CB HIS A 130 -26.237 -1.992 -19.075 1.00 18.48 C ATOM 2117 CG HIS A 130 -26.872 -2.901 -18.068 1.00 18.54 C ATOM 2118 ND1 HIS A 130 -28.236 -3.041 -17.936 1.00 19.17 N ATOM 2119 CD2 HIS A 130 -26.320 -3.740 -17.166 1.00 18.19 C ATOM 2120 CE1 HIS A 130 -28.493 -3.928 -16.994 1.00 19.21 C ATOM 2121 NE2 HIS A 130 -27.349 -4.370 -16.509 1.00 18.63 N ATOM 0 H HIS A 130 -25.114 -0.489 -16.584 1.00 17.61 H new ATOM 0 HA HIS A 130 -25.425 -0.048 -19.389 1.00 18.35 H new ATOM 0 HB2 HIS A 130 -26.929 -1.858 -19.906 1.00 18.48 H new ATOM 0 HB3 HIS A 130 -25.350 -2.483 -19.475 1.00 18.48 H new ATOM 0 HD2 HIS A 130 -25.264 -3.889 -16.993 1.00 18.19 H new ATOM 0 HE1 HIS A 130 -29.476 -4.240 -16.673 1.00 19.21 H new ATOM 0 HE2 HIS A 130 -27.245 -5.064 -15.769 1.00 18.63 H new ATOM 2130 N HIS A 131 -26.950 0.594 -16.758 1.00 19.31 N ATOM 2131 CA HIS A 131 -27.997 1.390 -16.129 1.00 20.05 C ATOM 2132 C HIS A 131 -27.551 2.846 -16.072 1.00 20.81 C ATOM 2133 O HIS A 131 -26.661 3.197 -15.293 1.00 21.07 O ATOM 2134 CB HIS A 131 -28.277 0.858 -14.713 1.00 20.08 C ATOM 2135 CG HIS A 131 -29.443 1.503 -14.018 1.00 20.69 C ATOM 2136 ND1 HIS A 131 -29.315 2.261 -12.874 1.00 21.19 N ATOM 2137 CD2 HIS A 131 -30.769 1.453 -14.284 1.00 20.98 C ATOM 2138 CE1 HIS A 131 -30.510 2.644 -12.468 1.00 21.75 C ATOM 2139 NE2 HIS A 131 -31.415 2.167 -13.303 1.00 21.64 N ATOM 0 H HIS A 131 -26.142 0.422 -16.159 1.00 19.31 H new ATOM 0 HA HIS A 131 -28.915 1.319 -16.712 1.00 20.05 H new ATOM 0 HB2 HIS A 131 -28.455 -0.216 -14.772 1.00 20.08 H new ATOM 0 HB3 HIS A 131 -27.385 1.000 -14.103 1.00 20.08 H new ATOM 0 HD2 HIS A 131 -31.235 0.945 -15.115 1.00 20.98 H new ATOM 0 HE1 HIS A 131 -30.715 3.248 -11.596 1.00 21.75 H new ATOM 0 HE2 HIS A 131 -32.423 2.305 -13.232 1.00 21.64 H new ATOM 2148 N HIS A 132 -28.139 3.684 -16.913 1.00 21.26 N ATOM 2149 CA HIS A 132 -27.738 5.085 -16.980 1.00 22.09 C ATOM 2150 C HIS A 132 -28.439 5.904 -15.902 1.00 22.39 C ATOM 2151 O HIS A 132 -29.564 6.381 -16.132 1.00 22.87 O ATOM 2152 CB HIS A 132 -27.965 5.684 -18.386 1.00 22.48 C ATOM 2153 CG HIS A 132 -29.363 5.573 -18.927 1.00 22.85 C ATOM 2154 ND1 HIS A 132 -29.809 4.482 -19.635 1.00 22.57 N ATOM 2155 CD2 HIS A 132 -30.402 6.442 -18.889 1.00 23.59 C ATOM 2156 CE1 HIS A 132 -31.058 4.682 -20.008 1.00 23.12 C ATOM 2157 NE2 HIS A 132 -31.441 5.862 -19.568 1.00 23.74 N ATOM 2158 OXT HIS A 132 -27.854 6.059 -14.820 1.00 22.23 O ATOM 0 H HIS A 132 -28.889 3.424 -17.554 1.00 21.26 H new ATOM 0 HA HIS A 132 -26.666 5.128 -16.789 1.00 22.09 H new ATOM 0 HB2 HIS A 132 -27.688 6.738 -18.360 1.00 22.48 H new ATOM 0 HB3 HIS A 132 -27.286 5.193 -19.083 1.00 22.48 H new ATOM 0 HD2 HIS A 132 -30.410 7.411 -18.412 1.00 23.59 H new ATOM 0 HE1 HIS A 132 -31.664 3.994 -20.578 1.00 23.12 H new ATOM 0 HE2 HIS A 132 -32.362 6.277 -19.710 1.00 23.74 H new TER 2167 HIS A 132