USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1111 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 13 LYS NZ :NH3+ -122:sc= 0.626 (180deg=0) USER MOD Set 1.2: A 133 TYR OH : rot 100:sc= 0.564 USER MOD Set 2.1: A 46 GLN : amide:sc= 1.6 K(o=2.3,f=-5.2!) USER MOD Set 2.2: A 114 TYR OH : rot 180:sc= 0.685 USER MOD Set 3.1: A 22 GLN : amide:sc= 0.808 K(o=1.7,f=0.017) USER MOD Set 3.2: A 86 THR OG1 : rot 41:sc= 0.859 USER MOD Set 4.1: A 47 LYS NZ :NH3+ -126:sc= 0.0977 (180deg=-0.483) USER MOD Set 4.2: A 51 TYR OH : rot 180:sc= 0.111 USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= -0.0121 (180deg=-0.17) USER MOD Single : A 12 ASN : amide:sc= 0.0665 K(o=0.067,f=-5.1!) USER MOD Single : A 20 LYS NZ :NH3+ -116:sc= 0.258 (180deg=-0.124) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0468) USER MOD Single : A 38 HIS : no HE2:sc= -0.59 X(o=-0.59,f=-1) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc=-0.00462 (180deg=-0.167) USER MOD Single : A 54 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.15) USER MOD Single : A 57 TYR OH : rot 0:sc= 0.631 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.553 K(o=0.55,f=-5!) USER MOD Single : A 60 THR OG1 : rot -80:sc= 0.713 USER MOD Single : A 61 HIS : no HD1:sc= -0.0338 X(o=-0.034,f=-0.11) USER MOD Single : A 64 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.018) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 161:sc=-0.00143 (180deg=-0.573) USER MOD Single : A 70 ASN : amide:sc= -2.03 K(o=-2,f=-3.9!) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= -0.0212 (180deg=-0.151) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0275) USER MOD Single : A 79 THR OG1 : rot 49:sc= 0.333 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 156:sc= 0 (180deg=-0.47) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 165:sc= -0.0242 (180deg=-0.234) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 MET CE :methyl 166:sc=-0.00124 (180deg=-0.205) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 168:sc= 0 (180deg=-0.0801) USER MOD Single : A 122 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.15) USER MOD Single : A 124 MET CE :methyl 144:sc= -1.61 (180deg=-3.46!) USER MOD Single : A 132 LYS NZ :NH3+ 165:sc= -0.0193 (180deg=-0.258) USER MOD Single : A 134 MET CE :methyl -163:sc= -0.0653 (180deg=-0.422) USER MOD ----------------------------------------------------------------- ATOM 98 N VAL A 6 -2.606 5.715 -5.281 1.00334.13 N ATOM 99 CA VAL A 6 -3.008 5.271 -6.610 1.00279.07 C ATOM 100 C VAL A 6 -2.103 4.131 -7.071 1.00238.43 C ATOM 101 O VAL A 6 -0.881 4.283 -7.120 1.00244.26 O ATOM 102 CB VAL A 6 -2.946 6.424 -7.644 1.00314.05 C ATOM 103 CG1 VAL A 6 -3.367 5.942 -9.025 1.00362.37 C ATOM 104 CG2 VAL A 6 -3.812 7.595 -7.202 1.00375.52 C ATOM 0 HA VAL A 6 -4.041 4.928 -6.545 1.00279.07 H new ATOM 0 HB VAL A 6 -1.912 6.764 -7.703 1.00314.05 H new ATOM 0 HG11 VAL A 6 -3.314 6.771 -9.731 1.00362.37 H new ATOM 0 HG12 VAL A 6 -2.700 5.144 -9.351 1.00362.37 H new ATOM 0 HG13 VAL A 6 -4.389 5.565 -8.983 1.00362.37 H new ATOM 0 HG21 VAL A 6 -3.752 8.392 -7.943 1.00375.52 H new ATOM 0 HG22 VAL A 6 -4.847 7.266 -7.105 1.00375.52 H new ATOM 0 HG23 VAL A 6 -3.458 7.967 -6.241 1.00375.52 H new ATOM 114 N GLU A 7 -2.698 2.990 -7.400 1.00247.88 N ATOM 115 CA GLU A 7 -1.932 1.836 -7.859 1.00261.23 C ATOM 116 C GLU A 7 -1.588 1.980 -9.338 1.00258.13 C ATOM 117 O GLU A 7 -2.341 2.596 -10.094 1.00295.56 O ATOM 118 CB GLU A 7 -2.723 0.546 -7.623 1.00329.01 C ATOM 119 CG GLU A 7 -2.991 0.251 -6.154 1.00524.54 C ATOM 120 CD GLU A 7 -3.819 -1.003 -5.949 1.00700.51 C ATOM 121 OE1 GLU A 7 -4.260 -1.597 -6.954 1.00710.30 O ATOM 122 OE2 GLU A 7 -4.026 -1.390 -4.780 1.00999.99 O1- ATOM 0 H GLU A 7 -3.706 2.839 -7.358 1.00247.88 H new ATOM 0 HA GLU A 7 -1.004 1.787 -7.289 1.00261.23 H new ATOM 0 HB2 GLU A 7 -3.675 0.613 -8.150 1.00329.01 H new ATOM 0 HB3 GLU A 7 -2.175 -0.290 -8.058 1.00329.01 H new ATOM 0 HG2 GLU A 7 -2.041 0.144 -5.630 1.00524.54 H new ATOM 0 HG3 GLU A 7 -3.508 1.100 -5.706 1.00524.54 H new ATOM 129 N PRO A 8 -0.439 1.425 -9.775 1.00283.22 N ATOM 130 CA PRO A 8 -0.019 1.505 -11.180 1.00342.38 C ATOM 131 C PRO A 8 -0.928 0.699 -12.105 1.00407.81 C ATOM 132 O PRO A 8 -1.297 -0.435 -11.799 1.00426.47 O ATOM 133 CB PRO A 8 1.394 0.912 -11.159 1.00426.65 C ATOM 134 CG PRO A 8 1.425 0.036 -9.954 1.00436.63 C ATOM 135 CD PRO A 8 0.539 0.704 -8.940 1.00337.38 C ATOM 0 HA PRO A 8 -0.062 2.524 -11.563 1.00342.38 H new ATOM 0 HB2 PRO A 8 1.597 0.343 -12.066 1.00426.65 H new ATOM 0 HB3 PRO A 8 2.150 1.695 -11.098 1.00426.65 H new ATOM 0 HG2 PRO A 8 1.065 -0.965 -10.189 1.00436.63 H new ATOM 0 HG3 PRO A 8 2.441 -0.072 -9.575 1.00436.63 H new ATOM 0 HD2 PRO A 8 0.054 -0.022 -8.287 1.00337.38 H new ATOM 0 HD3 PRO A 8 1.101 1.384 -8.299 1.00337.38 H new ATOM 143 N LYS A 9 -1.283 1.291 -13.240 1.00517.29 N ATOM 144 CA LYS A 9 -2.151 0.623 -14.205 1.00659.90 C ATOM 145 C LYS A 9 -1.470 0.471 -15.561 1.00611.96 C ATOM 146 O LYS A 9 -1.620 -0.553 -16.228 1.00826.27 O ATOM 147 CB LYS A 9 -3.460 1.403 -14.369 1.00999.99 C ATOM 148 CG LYS A 9 -4.312 1.443 -13.110 1.00999.99 C ATOM 149 CD LYS A 9 -5.597 2.221 -13.330 1.00999.99 C ATOM 150 CE LYS A 9 -6.430 2.292 -12.060 1.00999.99 C ATOM 151 NZ LYS A 9 -6.866 0.941 -11.606 1.00999.99 N1+ ATOM 0 H LYS A 9 -0.985 2.227 -13.514 1.00517.29 H new ATOM 0 HA LYS A 9 -2.366 -0.374 -13.820 1.00659.90 H new ATOM 0 HB2 LYS A 9 -3.228 2.424 -14.672 1.00999.99 H new ATOM 0 HB3 LYS A 9 -4.041 0.955 -15.175 1.00999.99 H new ATOM 0 HG2 LYS A 9 -4.550 0.426 -12.799 1.00999.99 H new ATOM 0 HG3 LYS A 9 -3.744 1.899 -12.300 1.00999.99 H new ATOM 0 HD2 LYS A 9 -5.359 3.230 -13.667 1.00999.99 H new ATOM 0 HD3 LYS A 9 -6.178 1.749 -14.122 1.00999.99 H new ATOM 0 HE2 LYS A 9 -5.849 2.770 -11.271 1.00999.99 H new ATOM 0 HE3 LYS A 9 -7.306 2.917 -12.235 1.00999.99 H new ATOM 0 HZ1 LYS A 9 -7.591 1.040 -10.867 1.00999.99 H new ATOM 0 HZ2 LYS A 9 -7.263 0.415 -12.411 1.00999.99 H new ATOM 0 HZ3 LYS A 9 -6.049 0.423 -11.223 1.00999.99 H new ATOM 165 N PHE A 10 -0.721 1.492 -15.969 1.00593.04 N ATOM 166 CA PHE A 10 -0.034 1.462 -17.258 1.00718.66 C ATOM 167 C PHE A 10 1.458 1.173 -17.099 1.00444.77 C ATOM 168 O PHE A 10 2.201 1.180 -18.081 1.00430.55 O ATOM 169 CB PHE A 10 -0.234 2.787 -17.998 1.00999.99 C ATOM 170 CG PHE A 10 -1.671 3.086 -18.323 1.00999.99 C ATOM 171 CD1 PHE A 10 -2.406 3.968 -17.544 1.00999.99 C ATOM 172 CD2 PHE A 10 -2.290 2.483 -19.407 1.00999.99 C ATOM 173 CE1 PHE A 10 -3.726 4.244 -17.842 1.00999.99 C ATOM 174 CE2 PHE A 10 -3.612 2.754 -19.708 1.00999.99 C ATOM 175 CZ PHE A 10 -4.329 3.636 -18.924 1.00999.99 C ATOM 0 H PHE A 10 -0.574 2.345 -15.430 1.00593.04 H new ATOM 0 HA PHE A 10 -0.470 0.652 -17.842 1.00718.66 H new ATOM 0 HB2 PHE A 10 0.168 3.597 -17.390 1.00999.99 H new ATOM 0 HB3 PHE A 10 0.342 2.767 -18.923 1.00999.99 H new ATOM 0 HD1 PHE A 10 -1.940 4.445 -16.694 1.00999.99 H new ATOM 0 HD2 PHE A 10 -1.733 1.793 -20.024 1.00999.99 H new ATOM 0 HE1 PHE A 10 -4.286 4.935 -17.229 1.00999.99 H new ATOM 0 HE2 PHE A 10 -4.083 2.277 -20.555 1.00999.99 H new ATOM 0 HZ PHE A 10 -5.362 3.850 -19.158 1.00999.99 H new ATOM 185 N LEU A 11 1.892 0.948 -15.860 1.00349.73 N ATOM 186 CA LEU A 11 3.295 0.649 -15.576 1.00235.63 C ATOM 187 C LEU A 11 3.752 -0.591 -16.348 1.00206.14 C ATOM 188 O LEU A 11 3.159 -1.662 -16.226 1.00278.24 O ATOM 189 CB LEU A 11 3.504 0.436 -14.072 1.00330.72 C ATOM 190 CG LEU A 11 4.952 0.173 -13.642 1.00430.08 C ATOM 191 CD1 LEU A 11 5.842 1.361 -13.982 1.00480.09 C ATOM 192 CD2 LEU A 11 5.017 -0.133 -12.153 1.00781.60 C ATOM 0 H LEU A 11 1.292 0.967 -15.036 1.00349.73 H new ATOM 0 HA LEU A 11 3.895 1.500 -15.899 1.00235.63 H new ATOM 0 HB2 LEU A 11 3.140 1.317 -13.543 1.00330.72 H new ATOM 0 HB3 LEU A 11 2.889 -0.405 -13.752 1.00330.72 H new ATOM 0 HG LEU A 11 5.319 -0.694 -14.191 1.00430.08 H new ATOM 0 HD11 LEU A 11 6.864 1.151 -13.668 1.00480.09 H new ATOM 0 HD12 LEU A 11 5.822 1.535 -15.058 1.00480.09 H new ATOM 0 HD13 LEU A 11 5.478 2.248 -13.464 1.00480.09 H new ATOM 0 HD21 LEU A 11 6.052 -0.317 -11.864 1.00781.60 H new ATOM 0 HD22 LEU A 11 4.629 0.716 -11.590 1.00781.60 H new ATOM 0 HD23 LEU A 11 4.417 -1.017 -11.937 1.00781.60 H new ATOM 204 N ASN A 12 4.811 -0.441 -17.134 1.00156.36 N ATOM 205 CA ASN A 12 5.336 -1.549 -17.919 1.00143.87 C ATOM 206 C ASN A 12 6.719 -1.952 -17.416 1.00134.56 C ATOM 207 O ASN A 12 7.648 -1.142 -17.419 1.00124.23 O ATOM 208 CB ASN A 12 5.398 -1.173 -19.404 1.00149.74 C ATOM 209 CG ASN A 12 5.697 -2.361 -20.306 1.00157.35 C ATOM 210 OD1 ASN A 12 6.020 -3.454 -19.840 1.00185.89 O ATOM 211 ND2 ASN A 12 5.592 -2.151 -21.611 1.00216.75 N ATOM 0 H ASN A 12 5.321 0.435 -17.244 1.00156.36 H new ATOM 0 HA ASN A 12 4.664 -2.400 -17.805 1.00143.87 H new ATOM 0 HB2 ASN A 12 4.448 -0.729 -19.701 1.00149.74 H new ATOM 0 HB3 ASN A 12 6.165 -0.412 -19.549 1.00149.74 H new ATOM 0 HD21 ASN A 12 5.781 -2.909 -22.266 1.00216.75 H new ATOM 0 HD22 ASN A 12 5.322 -1.231 -21.959 1.00216.75 H new ATOM 218 N LYS A 13 6.843 -3.204 -16.986 1.00148.99 N ATOM 219 CA LYS A 13 8.110 -3.733 -16.480 1.00152.70 C ATOM 220 C LYS A 13 9.187 -3.710 -17.564 1.00126.31 C ATOM 221 O LYS A 13 10.356 -3.450 -17.281 1.00117.25 O ATOM 222 CB LYS A 13 7.921 -5.159 -15.954 1.00189.09 C ATOM 223 CG LYS A 13 7.074 -5.242 -14.691 1.00262.69 C ATOM 224 CD LYS A 13 7.786 -4.625 -13.496 1.00423.01 C ATOM 225 CE LYS A 13 6.962 -4.769 -12.224 1.00603.99 C ATOM 226 NZ LYS A 13 7.653 -4.178 -11.045 1.00902.90 N1+ ATOM 0 H LYS A 13 6.077 -3.877 -16.977 1.00148.99 H new ATOM 0 HA LYS A 13 8.438 -3.094 -15.660 1.00152.70 H new ATOM 0 HB2 LYS A 13 7.456 -5.764 -16.732 1.00189.09 H new ATOM 0 HB3 LYS A 13 8.900 -5.595 -15.753 1.00189.09 H new ATOM 0 HG2 LYS A 13 6.126 -4.730 -14.854 1.00262.69 H new ATOM 0 HG3 LYS A 13 6.840 -6.285 -14.477 1.00262.69 H new ATOM 0 HD2 LYS A 13 8.755 -5.105 -13.360 1.00423.01 H new ATOM 0 HD3 LYS A 13 7.978 -3.570 -13.690 1.00423.01 H new ATOM 0 HE2 LYS A 13 5.996 -4.283 -12.360 1.00603.99 H new ATOM 0 HE3 LYS A 13 6.764 -5.824 -12.037 1.00603.99 H new ATOM 0 HZ1 LYS A 13 7.779 -4.908 -10.314 1.00902.90 H new ATOM 0 HZ2 LYS A 13 8.583 -3.814 -11.334 1.00902.90 H new ATOM 0 HZ3 LYS A 13 7.080 -3.399 -10.662 1.00902.90 H new ATOM 240 N ALA A 14 8.785 -4.006 -18.798 1.00121.35 N ATOM 241 CA ALA A 14 9.707 -4.011 -19.933 1.00105.33 C ATOM 242 C ALA A 14 10.359 -2.643 -20.134 1.00 85.51 C ATOM 243 O ALA A 14 11.539 -2.550 -20.464 1.00 77.98 O ATOM 244 CB ALA A 14 8.987 -4.448 -21.201 1.00112.67 C ATOM 0 H ALA A 14 7.823 -4.246 -19.039 1.00121.35 H new ATOM 0 HA ALA A 14 10.499 -4.726 -19.713 1.00105.33 H new ATOM 0 HB1 ALA A 14 9.687 -4.446 -22.036 1.00112.67 H new ATOM 0 HB2 ALA A 14 8.587 -5.453 -21.065 1.00112.67 H new ATOM 0 HB3 ALA A 14 8.170 -3.758 -21.411 1.00112.67 H new ATOM 250 N PHE A 15 9.578 -1.584 -19.948 1.00 84.90 N ATOM 251 CA PHE A 15 10.079 -0.219 -20.112 1.00 75.82 C ATOM 252 C PHE A 15 10.901 0.212 -18.897 1.00 70.57 C ATOM 253 O PHE A 15 11.704 1.144 -18.980 1.00 63.80 O ATOM 254 CB PHE A 15 8.920 0.760 -20.319 1.00 90.27 C ATOM 255 CG PHE A 15 8.184 0.591 -21.625 1.00101.24 C ATOM 256 CD1 PHE A 15 6.993 1.266 -21.848 1.00246.12 C ATOM 257 CD2 PHE A 15 8.670 -0.243 -22.622 1.00164.08 C ATOM 258 CE1 PHE A 15 6.304 1.116 -23.036 1.00265.05 C ATOM 259 CE2 PHE A 15 7.985 -0.397 -23.813 1.00181.35 C ATOM 260 CZ PHE A 15 6.801 0.284 -24.020 1.00136.81 C ATOM 0 H PHE A 15 8.595 -1.642 -19.683 1.00 84.90 H new ATOM 0 HA PHE A 15 10.720 -0.206 -20.993 1.00 75.82 H new ATOM 0 HB2 PHE A 15 8.211 0.643 -19.499 1.00 90.27 H new ATOM 0 HB3 PHE A 15 9.306 1.778 -20.263 1.00 90.27 H new ATOM 0 HD1 PHE A 15 6.599 1.918 -21.082 1.00246.12 H new ATOM 0 HD2 PHE A 15 9.595 -0.778 -22.466 1.00164.08 H new ATOM 0 HE1 PHE A 15 5.378 1.649 -23.195 1.00265.05 H new ATOM 0 HE2 PHE A 15 8.375 -1.049 -24.581 1.00181.35 H new ATOM 0 HZ PHE A 15 6.265 0.166 -24.950 1.00136.81 H new ATOM 270 N GLU A 16 10.692 -0.472 -17.775 1.00 80.12 N ATOM 271 CA GLU A 16 11.394 -0.163 -16.531 1.00 82.30 C ATOM 272 C GLU A 16 12.904 -0.358 -16.673 1.00 72.09 C ATOM 273 O GLU A 16 13.685 0.465 -16.195 1.00 70.72 O ATOM 274 CB GLU A 16 10.852 -1.034 -15.387 1.00100.14 C ATOM 275 CG GLU A 16 11.517 -0.782 -14.038 1.00165.35 C ATOM 276 CD GLU A 16 11.253 0.610 -13.494 1.00317.63 C ATOM 277 OE1 GLU A 16 10.275 1.249 -13.936 1.00440.18 O ATOM 278 OE2 GLU A 16 12.025 1.057 -12.619 1.00524.44 O1- ATOM 0 H GLU A 16 10.037 -1.250 -17.702 1.00 80.12 H new ATOM 0 HA GLU A 16 11.215 0.887 -16.300 1.00 82.30 H new ATOM 0 HB2 GLU A 16 9.781 -0.859 -15.289 1.00100.14 H new ATOM 0 HB3 GLU A 16 10.981 -2.083 -15.652 1.00100.14 H new ATOM 0 HG2 GLU A 16 11.159 -1.520 -13.320 1.00165.35 H new ATOM 0 HG3 GLU A 16 12.593 -0.929 -14.137 1.00165.35 H new ATOM 285 N VAL A 17 13.316 -1.443 -17.329 1.00 72.90 N ATOM 286 CA VAL A 17 14.741 -1.718 -17.508 1.00 72.63 C ATOM 287 C VAL A 17 15.395 -0.715 -18.460 1.00 63.96 C ATOM 288 O VAL A 17 16.569 -0.384 -18.299 1.00 69.07 O ATOM 289 CB VAL A 17 15.008 -3.161 -17.995 1.00 90.30 C ATOM 290 CG1 VAL A 17 14.609 -4.167 -16.926 1.00148.72 C ATOM 291 CG2 VAL A 17 14.281 -3.452 -19.301 1.00214.56 C ATOM 0 H VAL A 17 12.692 -2.137 -17.740 1.00 72.90 H new ATOM 0 HA VAL A 17 15.194 -1.610 -16.522 1.00 72.63 H new ATOM 0 HB VAL A 17 16.078 -3.256 -18.183 1.00 90.30 H new ATOM 0 HG11 VAL A 17 14.804 -5.177 -17.286 1.00148.72 H new ATOM 0 HG12 VAL A 17 15.189 -3.986 -16.021 1.00148.72 H new ATOM 0 HG13 VAL A 17 13.547 -4.060 -16.703 1.00148.72 H new ATOM 0 HG21 VAL A 17 14.491 -4.475 -19.614 1.00214.56 H new ATOM 0 HG22 VAL A 17 13.208 -3.330 -19.155 1.00214.56 H new ATOM 0 HG23 VAL A 17 14.623 -2.760 -20.070 1.00214.56 H new ATOM 301 N ALA A 18 14.635 -0.234 -19.451 1.00 57.17 N ATOM 302 CA ALA A 18 15.158 0.747 -20.397 1.00 56.13 C ATOM 303 C ALA A 18 15.535 2.034 -19.669 1.00 56.68 C ATOM 304 O ALA A 18 16.595 2.615 -19.910 1.00 61.91 O ATOM 305 CB ALA A 18 14.130 1.030 -21.486 1.00 55.42 C ATOM 0 H ALA A 18 13.666 -0.507 -19.614 1.00 57.17 H new ATOM 0 HA ALA A 18 16.054 0.340 -20.865 1.00 56.13 H new ATOM 0 HB1 ALA A 18 14.533 1.763 -22.185 1.00 55.42 H new ATOM 0 HB2 ALA A 18 13.902 0.107 -22.020 1.00 55.42 H new ATOM 0 HB3 ALA A 18 13.219 1.422 -21.034 1.00 55.42 H new ATOM 311 N LEU A 19 14.650 2.465 -18.772 1.00 56.75 N ATOM 312 CA LEU A 19 14.874 3.666 -17.971 1.00 63.59 C ATOM 313 C LEU A 19 15.989 3.454 -16.954 1.00 62.95 C ATOM 314 O LEU A 19 16.800 4.347 -16.709 1.00 66.21 O ATOM 315 CB LEU A 19 13.590 4.064 -17.243 1.00 74.19 C ATOM 316 CG LEU A 19 12.469 4.581 -18.142 1.00167.83 C ATOM 317 CD1 LEU A 19 11.182 4.744 -17.348 1.00321.59 C ATOM 318 CD2 LEU A 19 12.874 5.898 -18.787 1.00287.80 C ATOM 0 H LEU A 19 13.765 1.996 -18.581 1.00 56.75 H new ATOM 0 HA LEU A 19 15.172 4.465 -18.650 1.00 63.59 H new ATOM 0 HB2 LEU A 19 13.222 3.200 -16.690 1.00 74.19 H new ATOM 0 HB3 LEU A 19 13.830 4.833 -16.509 1.00 74.19 H new ATOM 0 HG LEU A 19 12.292 3.851 -18.932 1.00167.83 H new ATOM 0 HD11 LEU A 19 10.394 5.113 -18.004 1.00321.59 H new ATOM 0 HD12 LEU A 19 10.886 3.781 -16.932 1.00321.59 H new ATOM 0 HD13 LEU A 19 11.342 5.455 -16.538 1.00321.59 H new ATOM 0 HD21 LEU A 19 12.065 6.255 -19.425 1.00287.80 H new ATOM 0 HD22 LEU A 19 13.076 6.636 -18.011 1.00287.80 H new ATOM 0 HD23 LEU A 19 13.771 5.748 -19.388 1.00287.80 H new ATOM 330 N LYS A 20 16.025 2.252 -16.384 1.00 63.25 N ATOM 331 CA LYS A 20 17.009 1.889 -15.365 1.00 68.73 C ATOM 332 C LYS A 20 18.438 2.026 -15.883 1.00 68.61 C ATOM 333 O LYS A 20 19.308 2.536 -15.177 1.00 73.83 O ATOM 334 CB LYS A 20 16.755 0.456 -14.886 1.00 77.71 C ATOM 335 CG LYS A 20 17.703 -0.013 -13.793 1.00143.96 C ATOM 336 CD LYS A 20 17.372 -1.427 -13.340 1.00144.66 C ATOM 337 CE LYS A 20 18.364 -1.926 -12.301 1.00275.98 C ATOM 338 NZ LYS A 20 18.340 -1.100 -11.063 1.00491.97 N1+ ATOM 0 H LYS A 20 15.374 1.502 -16.615 1.00 63.25 H new ATOM 0 HA LYS A 20 16.896 2.579 -14.529 1.00 68.73 H new ATOM 0 HB2 LYS A 20 15.731 0.384 -14.519 1.00 77.71 H new ATOM 0 HB3 LYS A 20 16.837 -0.220 -15.737 1.00 77.71 H new ATOM 0 HG2 LYS A 20 18.729 0.022 -14.159 1.00143.96 H new ATOM 0 HG3 LYS A 20 17.645 0.666 -12.942 1.00143.96 H new ATOM 0 HD2 LYS A 20 16.365 -1.450 -12.924 1.00144.66 H new ATOM 0 HD3 LYS A 20 17.377 -2.096 -14.200 1.00144.66 H new ATOM 0 HE2 LYS A 20 18.135 -2.962 -12.050 1.00275.98 H new ATOM 0 HE3 LYS A 20 19.368 -1.915 -12.724 1.00275.98 H new ATOM 0 HZ1 LYS A 20 19.260 -0.630 -10.942 1.00491.97 H new ATOM 0 HZ2 LYS A 20 17.591 -0.382 -11.139 1.00491.97 H new ATOM 0 HZ3 LYS A 20 18.152 -1.710 -10.242 1.00491.97 H new ATOM 352 N VAL A 21 18.676 1.597 -17.118 1.00 68.25 N ATOM 353 CA VAL A 21 20.013 1.668 -17.705 1.00 77.13 C ATOM 354 C VAL A 21 20.483 3.120 -17.833 1.00 72.55 C ATOM 355 O VAL A 21 21.625 3.441 -17.495 1.00 79.19 O ATOM 356 CB VAL A 21 20.048 0.984 -19.095 1.00 87.85 C ATOM 357 CG1 VAL A 21 21.378 1.227 -19.797 1.00179.68 C ATOM 358 CG2 VAL A 21 19.774 -0.507 -18.964 1.00139.80 C ATOM 0 H VAL A 21 17.965 1.198 -17.731 1.00 68.25 H new ATOM 0 HA VAL A 21 20.690 1.138 -17.035 1.00 77.13 H new ATOM 0 HB VAL A 21 19.263 1.428 -19.707 1.00 87.85 H new ATOM 0 HG11 VAL A 21 21.371 0.735 -20.769 1.00179.68 H new ATOM 0 HG12 VAL A 21 21.527 2.298 -19.934 1.00179.68 H new ATOM 0 HG13 VAL A 21 22.189 0.822 -19.191 1.00179.68 H new ATOM 0 HG21 VAL A 21 19.803 -0.970 -19.950 1.00139.80 H new ATOM 0 HG22 VAL A 21 20.533 -0.962 -18.327 1.00139.80 H new ATOM 0 HG23 VAL A 21 18.790 -0.659 -18.520 1.00139.80 H new ATOM 368 N GLN A 22 19.598 3.994 -18.311 1.00 66.64 N ATOM 369 CA GLN A 22 19.935 5.408 -18.471 1.00 67.43 C ATOM 370 C GLN A 22 20.178 6.074 -17.116 1.00 67.09 C ATOM 371 O GLN A 22 21.097 6.882 -16.965 1.00 72.47 O ATOM 372 CB GLN A 22 18.817 6.140 -19.217 1.00 68.33 C ATOM 373 CG GLN A 22 18.705 5.750 -20.682 1.00156.47 C ATOM 374 CD GLN A 22 17.479 6.338 -21.352 1.00187.92 C ATOM 375 OE1 GLN A 22 16.449 6.562 -20.711 1.00223.68 O ATOM 376 NE2 GLN A 22 17.579 6.594 -22.649 1.00483.12 N ATOM 0 H GLN A 22 18.648 3.750 -18.593 1.00 66.64 H new ATOM 0 HA GLN A 22 20.854 5.469 -19.053 1.00 67.43 H new ATOM 0 HB2 GLN A 22 17.868 5.936 -18.722 1.00 68.33 H new ATOM 0 HB3 GLN A 22 18.988 7.214 -19.148 1.00 68.33 H new ATOM 0 HG2 GLN A 22 19.598 6.082 -21.211 1.00156.47 H new ATOM 0 HG3 GLN A 22 18.672 4.664 -20.763 1.00156.47 H new ATOM 0 HE21 GLN A 22 18.449 6.394 -23.143 1.00483.12 H new ATOM 0 HE22 GLN A 22 16.786 6.991 -23.153 1.00483.12 H new ATOM 385 N ILE A 23 19.344 5.726 -16.139 1.00 65.18 N ATOM 386 CA ILE A 23 19.451 6.278 -14.791 1.00 70.35 C ATOM 387 C ILE A 23 20.762 5.860 -14.115 1.00 65.97 C ATOM 388 O ILE A 23 21.432 6.680 -13.483 1.00 64.17 O ATOM 389 CB ILE A 23 18.246 5.852 -13.917 1.00 77.55 C ATOM 390 CG1 ILE A 23 16.959 6.490 -14.450 1.00 84.70 C ATOM 391 CG2 ILE A 23 18.462 6.244 -12.462 1.00120.91 C ATOM 392 CD1 ILE A 23 15.699 5.940 -13.815 1.00 96.48 C ATOM 0 H ILE A 23 18.581 5.059 -16.257 1.00 65.18 H new ATOM 0 HA ILE A 23 19.447 7.364 -14.888 1.00 70.35 H new ATOM 0 HB ILE A 23 18.154 4.767 -13.967 1.00 77.55 H new ATOM 0 HG12 ILE A 23 17.000 7.566 -14.281 1.00 84.70 H new ATOM 0 HG13 ILE A 23 16.908 6.338 -15.528 1.00 84.70 H new ATOM 0 HG21 ILE A 23 17.601 5.933 -11.870 1.00120.91 H new ATOM 0 HG22 ILE A 23 19.359 5.755 -12.083 1.00120.91 H new ATOM 0 HG23 ILE A 23 18.581 7.325 -12.390 1.00120.91 H new ATOM 0 HD11 ILE A 23 14.829 6.439 -14.242 1.00 96.48 H new ATOM 0 HD12 ILE A 23 15.633 4.869 -14.006 1.00 96.48 H new ATOM 0 HD13 ILE A 23 15.727 6.116 -12.740 1.00 96.48 H new ATOM 404 N ILE A 24 21.131 4.586 -14.272 1.00 66.14 N ATOM 405 CA ILE A 24 22.357 4.057 -13.669 1.00 64.17 C ATOM 406 C ILE A 24 23.597 4.796 -14.173 1.00 62.01 C ATOM 407 O ILE A 24 24.489 5.114 -13.389 1.00 60.43 O ATOM 408 CB ILE A 24 22.519 2.536 -13.933 1.00 70.10 C ATOM 409 CG1 ILE A 24 21.464 1.745 -13.154 1.00179.04 C ATOM 410 CG2 ILE A 24 23.916 2.057 -13.553 1.00158.26 C ATOM 411 CD1 ILE A 24 21.394 0.285 -13.546 1.00324.41 C ATOM 0 H ILE A 24 20.599 3.903 -14.811 1.00 66.14 H new ATOM 0 HA ILE A 24 22.264 4.217 -12.595 1.00 64.17 H new ATOM 0 HB ILE A 24 22.378 2.364 -15.000 1.00 70.10 H new ATOM 0 HG12 ILE A 24 21.681 1.817 -12.088 1.00179.04 H new ATOM 0 HG13 ILE A 24 20.488 2.203 -13.312 1.00179.04 H new ATOM 0 HG21 ILE A 24 24.000 0.988 -13.749 1.00158.26 H new ATOM 0 HG22 ILE A 24 24.658 2.594 -14.144 1.00158.26 H new ATOM 0 HG23 ILE A 24 24.090 2.247 -12.494 1.00158.26 H new ATOM 0 HD11 ILE A 24 20.626 -0.214 -12.955 1.00324.41 H new ATOM 0 HD12 ILE A 24 21.147 0.204 -14.605 1.00324.41 H new ATOM 0 HD13 ILE A 24 22.359 -0.188 -13.361 1.00324.41 H new ATOM 423 N ALA A 25 23.652 5.071 -15.476 1.00 65.20 N ATOM 424 CA ALA A 25 24.802 5.767 -16.053 1.00 67.36 C ATOM 425 C ALA A 25 24.988 7.151 -15.429 1.00 61.38 C ATOM 426 O ALA A 25 26.106 7.536 -15.081 1.00 61.83 O ATOM 427 CB ALA A 25 24.643 5.884 -17.562 1.00 76.38 C ATOM 0 H ALA A 25 22.923 4.826 -16.146 1.00 65.20 H new ATOM 0 HA ALA A 25 25.694 5.180 -15.834 1.00 67.36 H new ATOM 0 HB1 ALA A 25 25.505 6.404 -17.979 1.00 76.38 H new ATOM 0 HB2 ALA A 25 24.573 4.888 -17.999 1.00 76.38 H new ATOM 0 HB3 ALA A 25 23.736 6.444 -17.790 1.00 76.38 H new ATOM 433 N GLY A 26 23.888 7.892 -15.283 1.00 59.56 N ATOM 434 CA GLY A 26 23.953 9.217 -14.676 1.00 59.27 C ATOM 435 C GLY A 26 24.331 9.167 -13.206 1.00 53.55 C ATOM 436 O GLY A 26 25.116 9.980 -12.724 1.00 56.28 O ATOM 0 H GLY A 26 22.955 7.600 -15.573 1.00 59.56 H new ATOM 0 HA2 GLY A 26 24.681 9.824 -15.214 1.00 59.27 H new ATOM 0 HA3 GLY A 26 22.986 9.709 -14.782 1.00 59.27 H new ATOM 440 N PHE A 27 23.769 8.191 -12.501 1.00 49.22 N ATOM 441 CA PHE A 27 24.017 8.003 -11.070 1.00 46.57 C ATOM 442 C PHE A 27 25.415 7.443 -10.799 1.00 45.25 C ATOM 443 O PHE A 27 25.920 7.537 -9.679 1.00 45.52 O ATOM 444 CB PHE A 27 22.952 7.083 -10.463 1.00 47.23 C ATOM 445 CG PHE A 27 21.633 7.759 -10.176 1.00 52.02 C ATOM 446 CD1 PHE A 27 21.443 9.111 -10.434 1.00 90.91 C ATOM 447 CD2 PHE A 27 20.578 7.031 -9.651 1.00148.84 C ATOM 448 CE1 PHE A 27 20.231 9.718 -10.172 1.00 91.85 C ATOM 449 CE2 PHE A 27 19.362 7.637 -9.386 1.00169.43 C ATOM 450 CZ PHE A 27 19.190 8.981 -9.647 1.00 73.18 C ATOM 0 H PHE A 27 23.128 7.506 -12.902 1.00 49.22 H new ATOM 0 HA PHE A 27 23.959 8.983 -10.597 1.00 46.57 H new ATOM 0 HB2 PHE A 27 22.779 6.250 -11.144 1.00 47.23 H new ATOM 0 HB3 PHE A 27 23.340 6.661 -9.536 1.00 47.23 H new ATOM 0 HD1 PHE A 27 22.254 9.694 -10.845 1.00 90.91 H new ATOM 0 HD2 PHE A 27 20.706 5.978 -9.446 1.00148.84 H new ATOM 0 HE1 PHE A 27 20.098 10.770 -10.378 1.00 91.85 H new ATOM 0 HE2 PHE A 27 18.548 7.058 -8.975 1.00169.43 H new ATOM 0 HZ PHE A 27 18.242 9.455 -9.441 1.00 73.18 H new ATOM 460 N ASP A 28 26.036 6.866 -11.823 1.00 48.20 N ATOM 461 CA ASP A 28 27.360 6.263 -11.675 1.00 52.32 C ATOM 462 C ASP A 28 28.457 7.320 -11.586 1.00 58.31 C ATOM 463 O ASP A 28 29.401 7.162 -10.809 1.00 58.86 O ATOM 464 CB ASP A 28 27.645 5.316 -12.843 1.00 60.63 C ATOM 465 CG ASP A 28 28.890 4.477 -12.625 1.00 90.22 C ATOM 466 OD1 ASP A 28 29.982 4.914 -13.045 1.00143.57 O ATOM 467 OD2 ASP A 28 28.770 3.382 -12.037 1.00145.09 O1- ATOM 0 H ASP A 28 25.646 6.802 -12.763 1.00 48.20 H new ATOM 0 HA ASP A 28 27.360 5.700 -10.742 1.00 52.32 H new ATOM 0 HB2 ASP A 28 26.789 4.657 -12.989 1.00 60.63 H new ATOM 0 HB3 ASP A 28 27.759 5.898 -13.758 1.00 60.63 H new ATOM 472 N ARG A 29 28.346 8.395 -12.367 1.00 69.25 N ATOM 473 CA ARG A 29 29.353 9.454 -12.320 1.00 83.67 C ATOM 474 C ARG A 29 29.320 10.151 -10.959 1.00 77.32 C ATOM 475 O ARG A 29 30.348 10.611 -10.457 1.00 85.27 O ATOM 476 CB ARG A 29 29.154 10.467 -13.459 1.00105.83 C ATOM 477 CG ARG A 29 27.878 11.292 -13.352 1.00176.78 C ATOM 478 CD ARG A 29 27.834 12.384 -14.407 1.00290.98 C ATOM 479 NE ARG A 29 28.873 13.391 -14.195 1.00325.38 N ATOM 480 CZ ARG A 29 29.100 14.407 -15.024 1.00514.29 C ATOM 481 NH1 ARG A 29 28.366 14.546 -16.121 1.00733.68 N1+ ATOM 482 NH2 ARG A 29 30.062 15.280 -14.757 1.00779.77 N ATOM 0 H ARG A 29 27.585 8.554 -13.027 1.00 69.25 H new ATOM 0 HA ARG A 29 30.334 8.998 -12.456 1.00 83.67 H new ATOM 0 HB2 ARG A 29 30.009 11.143 -13.481 1.00105.83 H new ATOM 0 HB3 ARG A 29 29.147 9.931 -14.408 1.00105.83 H new ATOM 0 HG2 ARG A 29 27.011 10.641 -13.464 1.00176.78 H new ATOM 0 HG3 ARG A 29 27.814 11.739 -12.360 1.00176.78 H new ATOM 0 HD2 ARG A 29 27.956 11.939 -15.395 1.00290.98 H new ATOM 0 HD3 ARG A 29 26.855 12.864 -14.392 1.00290.98 H new ATOM 0 HE ARG A 29 29.458 13.310 -13.363 1.00325.38 H new ATOM 0 HH11 ARG A 29 27.627 13.874 -16.329 1.00733.68 H new ATOM 0 HH12 ARG A 29 28.540 15.325 -16.756 1.00733.68 H new ATOM 0 HH21 ARG A 29 30.629 15.173 -13.916 1.00779.77 H new ATOM 0 HH22 ARG A 29 30.235 16.058 -15.393 1.00779.77 H new ATOM 496 N GLY A 30 28.122 10.220 -10.373 1.00 70.34 N ATOM 497 CA GLY A 30 27.953 10.821 -9.060 1.00 72.33 C ATOM 498 C GLY A 30 28.710 10.067 -7.985 1.00 62.03 C ATOM 499 O GLY A 30 29.289 10.671 -7.081 1.00 70.42 O ATOM 0 H GLY A 30 27.261 9.867 -10.790 1.00 70.34 H new ATOM 0 HA2 GLY A 30 28.298 11.855 -9.088 1.00 72.33 H new ATOM 0 HA3 GLY A 30 26.893 10.845 -8.807 1.00 72.33 H new ATOM 503 N LEU A 31 28.700 8.737 -8.088 1.00 51.43 N ATOM 504 CA LEU A 31 29.389 7.879 -7.128 1.00 49.34 C ATOM 505 C LEU A 31 30.893 8.116 -7.170 1.00 53.91 C ATOM 506 O LEU A 31 31.553 8.121 -6.135 1.00 57.97 O ATOM 507 CB LEU A 31 29.107 6.402 -7.413 1.00 49.86 C ATOM 508 CG LEU A 31 27.686 5.929 -7.110 1.00 84.61 C ATOM 509 CD1 LEU A 31 27.478 4.522 -7.648 1.00213.67 C ATOM 510 CD2 LEU A 31 27.416 5.972 -5.613 1.00175.88 C ATOM 0 H LEU A 31 28.219 8.230 -8.831 1.00 51.43 H new ATOM 0 HA LEU A 31 29.012 8.131 -6.137 1.00 49.34 H new ATOM 0 HB2 LEU A 31 29.319 6.207 -8.464 1.00 49.86 H new ATOM 0 HB3 LEU A 31 29.803 5.799 -6.830 1.00 49.86 H new ATOM 0 HG LEU A 31 26.983 6.600 -7.603 1.00 84.61 H new ATOM 0 HD11 LEU A 31 26.462 4.194 -7.427 1.00213.67 H new ATOM 0 HD12 LEU A 31 27.634 4.518 -8.727 1.00213.67 H new ATOM 0 HD13 LEU A 31 28.189 3.843 -7.177 1.00213.67 H new ATOM 0 HD21 LEU A 31 26.399 5.632 -5.417 1.00175.88 H new ATOM 0 HD22 LEU A 31 28.122 5.322 -5.097 1.00175.88 H new ATOM 0 HD23 LEU A 31 27.533 6.994 -5.251 1.00175.88 H new ATOM 522 N VAL A 32 31.424 8.308 -8.377 1.00 60.45 N ATOM 523 CA VAL A 32 32.852 8.533 -8.565 1.00 75.53 C ATOM 524 C VAL A 32 33.311 9.798 -7.836 1.00 82.56 C ATOM 525 O VAL A 32 34.317 9.781 -7.128 1.00 89.50 O ATOM 526 CB VAL A 32 33.204 8.643 -10.068 1.00 97.76 C ATOM 527 CG1 VAL A 32 34.650 9.078 -10.269 1.00275.82 C ATOM 528 CG2 VAL A 32 32.936 7.323 -10.777 1.00173.47 C ATOM 0 H VAL A 32 30.882 8.312 -9.241 1.00 60.45 H new ATOM 0 HA VAL A 32 33.374 7.675 -8.142 1.00 75.53 H new ATOM 0 HB VAL A 32 32.564 9.409 -10.506 1.00 97.76 H new ATOM 0 HG11 VAL A 32 34.865 9.146 -11.336 1.00275.82 H new ATOM 0 HG12 VAL A 32 34.805 10.052 -9.805 1.00275.82 H new ATOM 0 HG13 VAL A 32 35.317 8.348 -9.810 1.00275.82 H new ATOM 0 HG21 VAL A 32 33.189 7.419 -11.833 1.00173.47 H new ATOM 0 HG22 VAL A 32 33.545 6.539 -10.328 1.00173.47 H new ATOM 0 HG23 VAL A 32 31.882 7.065 -10.679 1.00173.47 H new ATOM 538 N LYS A 33 32.559 10.886 -7.999 1.00 88.78 N ATOM 539 CA LYS A 33 32.894 12.152 -7.350 1.00105.88 C ATOM 540 C LYS A 33 32.811 12.026 -5.829 1.00 97.11 C ATOM 541 O LYS A 33 33.656 12.551 -5.104 1.00110.76 O ATOM 542 CB LYS A 33 31.957 13.262 -7.834 1.00123.44 C ATOM 543 CG LYS A 33 32.142 13.623 -9.301 1.00171.90 C ATOM 544 CD LYS A 33 33.488 14.285 -9.553 1.00268.72 C ATOM 545 CE LYS A 33 33.607 14.779 -10.986 1.00399.61 C ATOM 546 NZ LYS A 33 33.562 13.658 -11.965 1.00545.00 N1+ ATOM 0 H LYS A 33 31.716 10.916 -8.573 1.00 88.78 H new ATOM 0 HA LYS A 33 33.919 12.408 -7.619 1.00105.88 H new ATOM 0 HB2 LYS A 33 30.925 12.950 -7.673 1.00123.44 H new ATOM 0 HB3 LYS A 33 32.119 14.153 -7.227 1.00123.44 H new ATOM 0 HG2 LYS A 33 32.060 12.723 -9.910 1.00171.90 H new ATOM 0 HG3 LYS A 33 31.342 14.294 -9.614 1.00171.90 H new ATOM 0 HD2 LYS A 33 33.617 15.122 -8.867 1.00268.72 H new ATOM 0 HD3 LYS A 33 34.288 13.575 -9.344 1.00268.72 H new ATOM 0 HE2 LYS A 33 32.798 15.478 -11.197 1.00399.61 H new ATOM 0 HE3 LYS A 33 34.542 15.327 -11.105 1.00399.61 H new ATOM 0 HZ1 LYS A 33 33.731 14.027 -12.923 1.00545.00 H new ATOM 0 HZ2 LYS A 33 34.296 12.960 -11.728 1.00545.00 H new ATOM 0 HZ3 LYS A 33 32.628 13.203 -11.929 1.00545.00 H new ATOM 560 N TRP A 34 31.777 11.332 -5.358 1.00 83.08 N ATOM 561 CA TRP A 34 31.572 11.111 -3.927 1.00 84.80 C ATOM 562 C TRP A 34 32.696 10.245 -3.355 1.00 77.06 C ATOM 563 O TRP A 34 33.228 10.514 -2.280 1.00 88.78 O ATOM 564 CB TRP A 34 30.209 10.445 -3.693 1.00 87.86 C ATOM 565 CG TRP A 34 29.800 10.376 -2.249 1.00139.00 C ATOM 566 CD1 TRP A 34 29.100 11.323 -1.564 1.00136.46 C ATOM 567 CD2 TRP A 34 30.041 9.308 -1.323 1.00409.53 C ATOM 568 NE1 TRP A 34 28.902 10.924 -0.269 1.00289.99 N ATOM 569 CE2 TRP A 34 29.467 9.687 -0.092 1.00536.36 C ATOM 570 CE3 TRP A 34 30.687 8.071 -1.413 1.00753.70 C ATOM 571 CZ2 TRP A 34 29.522 8.872 1.036 1.00999.99 C ATOM 572 CZ3 TRP A 34 30.739 7.264 -0.290 1.00999.99 C ATOM 573 CH2 TRP A 34 30.160 7.668 0.918 1.00999.99 C ATOM 0 H TRP A 34 31.063 10.910 -5.951 1.00 83.08 H new ATOM 0 HA TRP A 34 31.587 12.073 -3.415 1.00 84.80 H new ATOM 0 HB2 TRP A 34 29.449 10.993 -4.249 1.00 87.86 H new ATOM 0 HB3 TRP A 34 30.236 9.434 -4.101 1.00 87.86 H new ATOM 0 HD1 TRP A 34 28.751 12.255 -1.983 1.00136.46 H new ATOM 0 HE1 TRP A 34 28.413 11.460 0.448 1.00289.99 H new ATOM 0 HE3 TRP A 34 31.137 7.751 -2.341 1.00753.70 H new ATOM 0 HZ2 TRP A 34 29.077 9.180 1.971 1.00999.99 H new ATOM 0 HZ3 TRP A 34 31.235 6.306 -0.347 1.00999.99 H new ATOM 0 HH2 TRP A 34 30.218 7.015 1.776 1.00999.99 H new ATOM 584 N LEU A 35 33.043 9.204 -4.102 1.00 67.65 N ATOM 585 CA LEU A 35 34.083 8.253 -3.720 1.00 72.29 C ATOM 586 C LEU A 35 35.455 8.914 -3.573 1.00 90.96 C ATOM 587 O LEU A 35 36.255 8.500 -2.740 1.00102.65 O ATOM 588 CB LEU A 35 34.159 7.118 -4.746 1.00 75.67 C ATOM 589 CG LEU A 35 35.135 5.995 -4.404 1.00107.58 C ATOM 590 CD1 LEU A 35 34.730 5.324 -3.101 1.00205.93 C ATOM 591 CD2 LEU A 35 35.196 4.977 -5.535 1.00169.22 C ATOM 0 H LEU A 35 32.607 8.993 -4.999 1.00 67.65 H new ATOM 0 HA LEU A 35 33.809 7.853 -2.744 1.00 72.29 H new ATOM 0 HB2 LEU A 35 33.164 6.689 -4.864 1.00 75.67 H new ATOM 0 HB3 LEU A 35 34.440 7.540 -5.711 1.00 75.67 H new ATOM 0 HG LEU A 35 36.129 6.425 -4.278 1.00107.58 H new ATOM 0 HD11 LEU A 35 35.434 4.525 -2.869 1.00205.93 H new ATOM 0 HD12 LEU A 35 34.737 6.059 -2.296 1.00205.93 H new ATOM 0 HD13 LEU A 35 33.728 4.906 -3.203 1.00205.93 H new ATOM 0 HD21 LEU A 35 35.897 4.184 -5.273 1.00169.22 H new ATOM 0 HD22 LEU A 35 34.206 4.549 -5.693 1.00169.22 H new ATOM 0 HD23 LEU A 35 35.529 5.468 -6.449 1.00169.22 H new ATOM 603 N ARG A 36 35.723 9.935 -4.383 1.00104.16 N ATOM 604 CA ARG A 36 37.018 10.627 -4.365 1.00135.85 C ATOM 605 C ARG A 36 37.370 11.224 -2.997 1.00142.78 C ATOM 606 O ARG A 36 38.549 11.349 -2.668 1.00164.88 O ATOM 607 CB ARG A 36 37.045 11.734 -5.422 1.00166.93 C ATOM 608 CG ARG A 36 37.083 11.223 -6.853 1.00178.27 C ATOM 609 CD ARG A 36 37.111 12.369 -7.851 1.00195.26 C ATOM 610 NE ARG A 36 37.162 11.894 -9.232 1.00253.66 N ATOM 611 CZ ARG A 36 37.218 12.701 -10.287 1.00294.34 C ATOM 612 NH1 ARG A 36 37.231 14.017 -10.119 1.00307.82 N1+ ATOM 613 NH2 ARG A 36 37.264 12.190 -11.511 1.00557.46 N ATOM 0 H ARG A 36 35.061 10.306 -5.064 1.00104.16 H new ATOM 0 HA ARG A 36 37.769 9.869 -4.589 1.00135.85 H new ATOM 0 HB2 ARG A 36 36.165 12.364 -5.296 1.00166.93 H new ATOM 0 HB3 ARG A 36 37.917 12.365 -5.249 1.00166.93 H new ATOM 0 HG2 ARG A 36 37.963 10.595 -6.993 1.00178.27 H new ATOM 0 HG3 ARG A 36 36.211 10.597 -7.040 1.00178.27 H new ATOM 0 HD2 ARG A 36 36.226 12.990 -7.714 1.00195.26 H new ATOM 0 HD3 ARG A 36 37.977 13.000 -7.653 1.00195.26 H new ATOM 0 HE ARG A 36 37.154 10.887 -9.396 1.00253.66 H new ATOM 0 HH11 ARG A 36 37.198 14.411 -9.179 1.00307.82 H new ATOM 0 HH12 ARG A 36 37.274 14.634 -10.930 1.00307.82 H new ATOM 0 HH21 ARG A 36 37.256 11.178 -11.642 1.00557.46 H new ATOM 0 HH22 ARG A 36 37.307 12.809 -12.321 1.00557.46 H new ATOM 627 N VAL A 37 36.371 11.589 -2.200 1.00136.12 N ATOM 628 CA VAL A 37 36.640 12.183 -0.891 1.00154.88 C ATOM 629 C VAL A 37 36.877 11.113 0.191 1.00143.45 C ATOM 630 O VAL A 37 37.575 11.362 1.174 1.00169.85 O ATOM 631 CB VAL A 37 35.502 13.148 -0.459 1.00178.07 C ATOM 632 CG1 VAL A 37 34.247 12.392 -0.049 1.00242.50 C ATOM 633 CG2 VAL A 37 35.970 14.064 0.665 1.00284.57 C ATOM 0 H VAL A 37 35.383 11.487 -2.430 1.00136.12 H new ATOM 0 HA VAL A 37 37.559 12.761 -0.994 1.00154.88 H new ATOM 0 HB VAL A 37 35.247 13.761 -1.324 1.00178.07 H new ATOM 0 HG11 VAL A 37 33.475 13.102 0.246 1.00242.50 H new ATOM 0 HG12 VAL A 37 33.890 11.796 -0.889 1.00242.50 H new ATOM 0 HG13 VAL A 37 34.476 11.735 0.790 1.00242.50 H new ATOM 0 HG21 VAL A 37 35.158 14.732 0.952 1.00284.57 H new ATOM 0 HG22 VAL A 37 36.267 13.463 1.524 1.00284.57 H new ATOM 0 HG23 VAL A 37 36.821 14.654 0.323 1.00284.57 H new ATOM 643 N HIS A 38 36.311 9.923 0.001 1.00121.32 N ATOM 644 CA HIS A 38 36.474 8.833 0.971 1.00129.78 C ATOM 645 C HIS A 38 37.329 7.702 0.396 1.00120.66 C ATOM 646 O HIS A 38 37.350 6.594 0.935 1.00116.64 O ATOM 647 CB HIS A 38 35.108 8.284 1.398 1.00157.70 C ATOM 648 CG HIS A 38 34.283 9.245 2.204 1.00198.72 C ATOM 649 ND1 HIS A 38 32.915 9.154 2.341 1.00348.77 N ATOM 650 CD2 HIS A 38 34.658 10.324 2.941 1.00293.18 C ATOM 651 CE1 HIS A 38 32.511 10.155 3.134 1.00350.44 C ATOM 652 NE2 HIS A 38 33.532 10.893 3.525 1.00300.00 N ATOM 0 H HIS A 38 35.738 9.686 -0.809 1.00121.32 H new ATOM 0 HA HIS A 38 36.984 9.242 1.843 1.00129.78 H new ATOM 0 HB2 HIS A 38 34.548 8.001 0.507 1.00157.70 H new ATOM 0 HB3 HIS A 38 35.260 7.376 1.981 1.00157.70 H new ATOM 0 HD1 HIS A 38 32.315 8.448 1.914 1.00348.77 H new ATOM 0 HD2 HIS A 38 35.670 10.682 3.055 1.00293.18 H new ATOM 0 HE1 HIS A 38 31.484 10.334 3.416 1.00350.44 H new ATOM 660 N GLY A 39 38.027 7.995 -0.695 1.00146.01 N ATOM 661 CA GLY A 39 38.867 7.004 -1.358 1.00174.62 C ATOM 662 C GLY A 39 39.995 6.465 -0.497 1.00178.59 C ATOM 663 O GLY A 39 40.287 5.270 -0.536 1.00199.70 O ATOM 0 H GLY A 39 38.028 8.913 -1.140 1.00146.01 H new ATOM 0 HA2 GLY A 39 38.241 6.171 -1.680 1.00174.62 H new ATOM 0 HA3 GLY A 39 39.293 7.449 -2.257 1.00174.62 H new ATOM 667 N ARG A 40 40.627 7.337 0.281 1.00182.39 N ATOM 668 CA ARG A 40 41.744 6.939 1.141 1.00216.75 C ATOM 669 C ARG A 40 41.319 5.965 2.246 1.00196.87 C ATOM 670 O ARG A 40 42.145 5.218 2.772 1.00235.83 O ATOM 671 CB ARG A 40 42.411 8.178 1.753 1.00256.63 C ATOM 672 CG ARG A 40 41.521 8.951 2.714 1.00454.12 C ATOM 673 CD ARG A 40 42.229 10.176 3.266 1.00632.70 C ATOM 674 NE ARG A 40 41.389 10.922 4.198 1.00929.04 N ATOM 675 CZ ARG A 40 41.775 12.038 4.809 1.00999.99 C ATOM 676 NH1 ARG A 40 42.984 12.535 4.585 1.00999.99 N1+ ATOM 677 NH2 ARG A 40 40.949 12.658 5.645 1.00999.99 N ATOM 0 H ARG A 40 40.387 8.327 0.336 1.00182.39 H new ATOM 0 HA ARG A 40 42.461 6.413 0.510 1.00216.75 H new ATOM 0 HB2 ARG A 40 43.314 7.869 2.280 1.00256.63 H new ATOM 0 HB3 ARG A 40 42.724 8.844 0.949 1.00256.63 H new ATOM 0 HG2 ARG A 40 40.609 9.257 2.201 1.00454.12 H new ATOM 0 HG3 ARG A 40 41.221 8.301 3.536 1.00454.12 H new ATOM 0 HD2 ARG A 40 43.145 9.868 3.771 1.00632.70 H new ATOM 0 HD3 ARG A 40 42.522 10.827 2.442 1.00632.70 H new ATOM 0 HE ARG A 40 40.453 10.567 4.392 1.00929.04 H new ATOM 0 HH11 ARG A 40 43.619 12.061 3.943 1.00999.99 H new ATOM 0 HH12 ARG A 40 43.278 13.391 5.055 1.00999.99 H new ATOM 0 HH21 ARG A 40 40.018 12.278 5.818 1.00999.99 H new ATOM 0 HH22 ARG A 40 41.245 13.514 6.114 1.00999.99 H new ATOM 691 N THR A 41 40.038 5.975 2.598 1.00164.55 N ATOM 692 CA THR A 41 39.530 5.094 3.645 1.00180.03 C ATOM 693 C THR A 41 38.573 4.038 3.092 1.00143.11 C ATOM 694 O THR A 41 37.887 3.357 3.854 1.00157.45 O ATOM 695 CB THR A 41 38.808 5.898 4.747 1.00225.23 C ATOM 696 OG1 THR A 41 37.775 6.707 4.169 1.00193.89 O ATOM 697 CG2 THR A 41 39.786 6.784 5.506 1.00302.80 C ATOM 0 H THR A 41 39.334 6.581 2.176 1.00164.55 H new ATOM 0 HA THR A 41 40.398 4.589 4.070 1.00180.03 H new ATOM 0 HB THR A 41 38.366 5.190 5.448 1.00225.23 H new ATOM 0 HG1 THR A 41 37.321 7.212 4.876 1.00193.89 H new ATOM 0 HG21 THR A 41 39.251 7.339 6.276 1.00302.80 H new ATOM 0 HG22 THR A 41 40.553 6.164 5.971 1.00302.80 H new ATOM 0 HG23 THR A 41 40.255 7.484 4.814 1.00302.80 H new ATOM 705 N LEU A 42 38.525 3.908 1.769 1.00124.95 N ATOM 706 CA LEU A 42 37.631 2.944 1.131 1.00116.90 C ATOM 707 C LEU A 42 38.102 1.504 1.333 1.00113.15 C ATOM 708 O LEU A 42 39.222 1.147 0.970 1.00123.92 O ATOM 709 CB LEU A 42 37.539 3.233 -0.369 1.00142.95 C ATOM 710 CG LEU A 42 36.628 2.292 -1.163 1.00251.09 C ATOM 711 CD1 LEU A 42 35.177 2.458 -0.736 1.00184.69 C ATOM 712 CD2 LEU A 42 36.784 2.529 -2.658 1.00581.97 C ATOM 0 H LEU A 42 39.091 4.455 1.120 1.00124.95 H new ATOM 0 HA LEU A 42 36.652 3.051 1.599 1.00116.90 H new ATOM 0 HB2 LEU A 42 37.184 4.255 -0.504 1.00142.95 H new ATOM 0 HB3 LEU A 42 38.542 3.185 -0.794 1.00142.95 H new ATOM 0 HG LEU A 42 36.927 1.266 -0.949 1.00251.09 H new ATOM 0 HD11 LEU A 42 34.548 1.780 -1.313 1.00184.69 H new ATOM 0 HD12 LEU A 42 35.081 2.227 0.325 1.00184.69 H new ATOM 0 HD13 LEU A 42 34.861 3.486 -0.914 1.00184.69 H new ATOM 0 HD21 LEU A 42 36.129 1.851 -3.204 1.00581.97 H new ATOM 0 HD22 LEU A 42 36.517 3.559 -2.893 1.00581.97 H new ATOM 0 HD23 LEU A 42 37.818 2.347 -2.949 1.00581.97 H new ATOM 724 N SER A 43 37.234 0.684 1.922 1.00110.08 N ATOM 725 CA SER A 43 37.529 -0.728 2.127 1.00115.78 C ATOM 726 C SER A 43 37.276 -1.508 0.838 1.00104.58 C ATOM 727 O SER A 43 36.532 -1.049 -0.033 1.00 88.16 O ATOM 728 CB SER A 43 36.690 -1.299 3.270 1.00123.68 C ATOM 729 OG SER A 43 36.995 -0.656 4.496 1.00239.07 O ATOM 0 H SER A 43 36.319 0.976 2.266 1.00110.08 H new ATOM 0 HA SER A 43 38.580 -0.825 2.398 1.00115.78 H new ATOM 0 HB2 SER A 43 35.631 -1.176 3.045 1.00123.68 H new ATOM 0 HB3 SER A 43 36.874 -2.369 3.361 1.00123.68 H new ATOM 0 HG SER A 43 36.444 -1.037 5.211 1.00239.07 H new ATOM 735 N THR A 44 37.881 -2.684 0.722 1.00124.16 N ATOM 736 CA THR A 44 37.719 -3.521 -0.465 1.00127.73 C ATOM 737 C THR A 44 36.256 -3.943 -0.665 1.00110.92 C ATOM 738 O THR A 44 35.735 -3.894 -1.780 1.00105.30 O ATOM 739 CB THR A 44 38.608 -4.782 -0.375 1.00167.62 C ATOM 740 OG1 THR A 44 39.982 -4.396 -0.249 1.00188.24 O ATOM 741 CG2 THR A 44 38.446 -5.664 -1.605 1.00192.01 C ATOM 0 H THR A 44 38.490 -3.082 1.437 1.00124.16 H new ATOM 0 HA THR A 44 38.027 -2.922 -1.322 1.00127.73 H new ATOM 0 HB THR A 44 38.296 -5.351 0.501 1.00167.62 H new ATOM 0 HG1 THR A 44 40.543 -5.197 -0.190 1.00188.24 H new ATOM 0 HG21 THR A 44 39.085 -6.542 -1.510 1.00192.01 H new ATOM 0 HG22 THR A 44 37.406 -5.979 -1.692 1.00192.01 H new ATOM 0 HG23 THR A 44 38.731 -5.103 -2.495 1.00192.01 H new ATOM 749 N VAL A 45 35.596 -4.344 0.421 1.00112.05 N ATOM 750 CA VAL A 45 34.202 -4.786 0.353 1.00108.03 C ATOM 751 C VAL A 45 33.245 -3.610 0.141 1.00 83.86 C ATOM 752 O VAL A 45 32.196 -3.762 -0.488 1.00 73.11 O ATOM 753 CB VAL A 45 33.779 -5.560 1.624 1.00130.87 C ATOM 754 CG1 VAL A 45 32.659 -6.538 1.302 1.00278.45 C ATOM 755 CG2 VAL A 45 34.967 -6.286 2.243 1.00128.50 C ATOM 0 H VAL A 45 36.002 -4.372 1.356 1.00112.05 H new ATOM 0 HA VAL A 45 34.139 -5.456 -0.505 1.00108.03 H new ATOM 0 HB VAL A 45 33.410 -4.839 2.354 1.00130.87 H new ATOM 0 HG11 VAL A 45 32.373 -7.074 2.207 1.00278.45 H new ATOM 0 HG12 VAL A 45 31.798 -5.991 0.917 1.00278.45 H new ATOM 0 HG13 VAL A 45 33.002 -7.250 0.551 1.00278.45 H new ATOM 0 HG21 VAL A 45 34.642 -6.822 3.135 1.00128.50 H new ATOM 0 HG22 VAL A 45 35.376 -6.995 1.523 1.00128.50 H new ATOM 0 HG23 VAL A 45 35.735 -5.562 2.515 1.00128.50 H new ATOM 765 N GLN A 46 33.609 -2.439 0.664 1.00 84.69 N ATOM 766 CA GLN A 46 32.773 -1.244 0.532 1.00 73.08 C ATOM 767 C GLN A 46 32.605 -0.829 -0.926 1.00 62.50 C ATOM 768 O GLN A 46 31.527 -0.390 -1.323 1.00 57.12 O ATOM 769 CB GLN A 46 33.336 -0.073 1.338 1.00 83.39 C ATOM 770 CG GLN A 46 33.201 -0.239 2.842 1.00132.44 C ATOM 771 CD GLN A 46 33.913 0.854 3.614 1.00203.35 C ATOM 772 OE1 GLN A 46 34.892 1.428 3.139 1.00316.42 O ATOM 773 NE2 GLN A 46 33.422 1.151 4.809 1.00302.94 N ATOM 0 H GLN A 46 34.475 -2.292 1.182 1.00 84.69 H new ATOM 0 HA GLN A 46 31.794 -1.506 0.932 1.00 73.08 H new ATOM 0 HB2 GLN A 46 34.390 0.053 1.089 1.00 83.39 H new ATOM 0 HB3 GLN A 46 32.826 0.842 1.036 1.00 83.39 H new ATOM 0 HG2 GLN A 46 32.145 -0.240 3.111 1.00132.44 H new ATOM 0 HG3 GLN A 46 33.605 -1.208 3.135 1.00132.44 H new ATOM 0 HE21 GLN A 46 32.608 0.650 5.165 1.00302.94 H new ATOM 0 HE22 GLN A 46 33.858 1.881 5.373 1.00302.94 H new ATOM 782 N LYS A 47 33.671 -0.953 -1.716 1.00 68.99 N ATOM 783 CA LYS A 47 33.614 -0.588 -3.128 1.00 69.16 C ATOM 784 C LYS A 47 32.556 -1.421 -3.851 1.00 64.72 C ATOM 785 O LYS A 47 31.746 -0.888 -4.610 1.00 64.19 O ATOM 786 CB LYS A 47 34.984 -0.780 -3.790 1.00 90.60 C ATOM 787 CG LYS A 47 35.011 -0.394 -5.262 1.00150.76 C ATOM 788 CD LYS A 47 36.398 -0.564 -5.861 1.00204.08 C ATOM 789 CE LYS A 47 36.425 -0.163 -7.329 1.00309.70 C ATOM 790 NZ LYS A 47 35.561 -1.043 -8.164 1.00470.35 N1+ ATOM 0 H LYS A 47 34.578 -1.301 -1.404 1.00 68.99 H new ATOM 0 HA LYS A 47 33.339 0.464 -3.200 1.00 69.16 H new ATOM 0 HB2 LYS A 47 35.723 -0.185 -3.254 1.00 90.60 H new ATOM 0 HB3 LYS A 47 35.282 -1.824 -3.692 1.00 90.60 H new ATOM 0 HG2 LYS A 47 34.299 -1.008 -5.813 1.00150.76 H new ATOM 0 HG3 LYS A 47 34.691 0.642 -5.373 1.00150.76 H new ATOM 0 HD2 LYS A 47 37.113 0.042 -5.304 1.00204.08 H new ATOM 0 HD3 LYS A 47 36.714 -1.602 -5.761 1.00204.08 H new ATOM 0 HE2 LYS A 47 36.093 0.871 -7.429 1.00309.70 H new ATOM 0 HE3 LYS A 47 37.450 -0.206 -7.698 1.00309.70 H new ATOM 0 HZ1 LYS A 47 36.120 -1.434 -8.949 1.00470.35 H new ATOM 0 HZ2 LYS A 47 35.191 -1.821 -7.581 1.00470.35 H new ATOM 0 HZ3 LYS A 47 34.768 -0.489 -8.546 1.00470.35 H new ATOM 804 N LYS A 48 32.565 -2.729 -3.601 1.00 67.82 N ATOM 805 CA LYS A 48 31.594 -3.638 -4.208 1.00 69.90 C ATOM 806 C LYS A 48 30.183 -3.323 -3.707 1.00 62.02 C ATOM 807 O LYS A 48 29.214 -3.376 -4.465 1.00 68.08 O ATOM 808 CB LYS A 48 31.955 -5.090 -3.891 1.00 78.57 C ATOM 809 CG LYS A 48 33.222 -5.567 -4.586 1.00114.97 C ATOM 810 CD LYS A 48 33.538 -7.014 -4.244 1.00200.36 C ATOM 811 CE LYS A 48 34.818 -7.480 -4.917 1.00259.67 C ATOM 812 NZ LYS A 48 34.709 -7.447 -6.402 1.00369.78 N1+ ATOM 0 H LYS A 48 33.235 -3.184 -2.981 1.00 67.82 H new ATOM 0 HA LYS A 48 31.619 -3.499 -5.289 1.00 69.90 H new ATOM 0 HB2 LYS A 48 32.079 -5.198 -2.813 1.00 78.57 H new ATOM 0 HB3 LYS A 48 31.126 -5.734 -4.183 1.00 78.57 H new ATOM 0 HG2 LYS A 48 33.106 -5.465 -5.665 1.00114.97 H new ATOM 0 HG3 LYS A 48 34.059 -4.933 -4.294 1.00114.97 H new ATOM 0 HD2 LYS A 48 33.635 -7.121 -3.164 1.00200.36 H new ATOM 0 HD3 LYS A 48 32.710 -7.651 -4.554 1.00200.36 H new ATOM 0 HE2 LYS A 48 35.646 -6.846 -4.600 1.00259.67 H new ATOM 0 HE3 LYS A 48 35.050 -8.494 -4.593 1.00259.67 H new ATOM 0 HZ1 LYS A 48 35.522 -7.942 -6.821 1.00369.78 H new ATOM 0 HZ2 LYS A 48 33.829 -7.917 -6.696 1.00369.78 H new ATOM 0 HZ3 LYS A 48 34.700 -6.459 -6.728 1.00369.78 H new ATOM 826 N ALA A 49 30.090 -2.998 -2.418 1.00 57.48 N ATOM 827 CA ALA A 49 28.821 -2.655 -1.777 1.00 60.42 C ATOM 828 C ALA A 49 28.184 -1.417 -2.404 1.00 61.38 C ATOM 829 O ALA A 49 26.962 -1.335 -2.524 1.00 66.37 O ATOM 830 CB ALA A 49 29.021 -2.444 -0.285 1.00 66.79 C ATOM 0 H ALA A 49 30.892 -2.965 -1.789 1.00 57.48 H new ATOM 0 HA ALA A 49 28.140 -3.492 -1.932 1.00 60.42 H new ATOM 0 HB1 ALA A 49 28.067 -2.189 0.178 1.00 66.79 H new ATOM 0 HB2 ALA A 49 29.409 -3.359 0.163 1.00 66.79 H new ATOM 0 HB3 ALA A 49 29.730 -1.632 -0.124 1.00 66.79 H new ATOM 836 N LEU A 50 29.019 -0.455 -2.794 1.00 62.68 N ATOM 837 CA LEU A 50 28.540 0.790 -3.399 1.00 69.31 C ATOM 838 C LEU A 50 27.763 0.535 -4.685 1.00 70.74 C ATOM 839 O LEU A 50 26.792 1.237 -4.970 1.00 73.63 O ATOM 840 CB LEU A 50 29.699 1.751 -3.668 1.00 82.39 C ATOM 841 CG LEU A 50 30.327 2.362 -2.415 1.00116.72 C ATOM 842 CD1 LEU A 50 31.578 3.146 -2.774 1.00238.30 C ATOM 843 CD2 LEU A 50 29.318 3.250 -1.699 1.00212.40 C ATOM 0 H LEU A 50 30.033 -0.513 -2.702 1.00 62.68 H new ATOM 0 HA LEU A 50 27.860 1.250 -2.682 1.00 69.31 H new ATOM 0 HB2 LEU A 50 30.472 1.220 -4.223 1.00 82.39 H new ATOM 0 HB3 LEU A 50 29.343 2.557 -4.309 1.00 82.39 H new ATOM 0 HG LEU A 50 30.615 1.556 -1.740 1.00116.72 H new ATOM 0 HD11 LEU A 50 32.011 3.574 -1.870 1.00238.30 H new ATOM 0 HD12 LEU A 50 32.302 2.480 -3.244 1.00238.30 H new ATOM 0 HD13 LEU A 50 31.319 3.947 -3.466 1.00238.30 H new ATOM 0 HD21 LEU A 50 29.778 3.679 -0.809 1.00212.40 H new ATOM 0 HD22 LEU A 50 29.001 4.052 -2.366 1.00212.40 H new ATOM 0 HD23 LEU A 50 28.451 2.656 -1.409 1.00212.40 H new ATOM 855 N TYR A 51 28.195 -0.451 -5.467 1.00 75.10 N ATOM 856 CA TYR A 51 27.494 -0.791 -6.703 1.00 85.35 C ATOM 857 C TYR A 51 26.068 -1.226 -6.376 1.00 79.83 C ATOM 858 O TYR A 51 25.123 -0.892 -7.093 1.00 87.67 O ATOM 859 CB TYR A 51 28.236 -1.895 -7.462 1.00 99.89 C ATOM 860 CG TYR A 51 29.519 -1.428 -8.114 1.00148.88 C ATOM 861 CD1 TYR A 51 30.731 -1.500 -7.439 1.00210.99 C ATOM 862 CD2 TYR A 51 29.519 -0.915 -9.405 1.00198.78 C ATOM 863 CE1 TYR A 51 31.904 -1.072 -8.030 1.00319.60 C ATOM 864 CE2 TYR A 51 30.690 -0.487 -10.004 1.00303.12 C ATOM 865 CZ TYR A 51 31.880 -0.566 -9.311 1.00362.33 C ATOM 866 OH TYR A 51 33.048 -0.141 -9.900 1.00526.93 O ATOM 0 H TYR A 51 29.017 -1.023 -5.271 1.00 75.10 H new ATOM 0 HA TYR A 51 27.460 0.089 -7.346 1.00 85.35 H new ATOM 0 HB2 TYR A 51 28.464 -2.708 -6.772 1.00 99.89 H new ATOM 0 HB3 TYR A 51 27.577 -2.303 -8.228 1.00 99.89 H new ATOM 0 HD1 TYR A 51 30.757 -1.897 -6.435 1.00210.99 H new ATOM 0 HD2 TYR A 51 28.589 -0.849 -9.950 1.00198.78 H new ATOM 0 HE1 TYR A 51 32.837 -1.134 -7.489 1.00319.60 H new ATOM 0 HE2 TYR A 51 30.673 -0.093 -11.009 1.00303.12 H new ATOM 0 HH TYR A 51 32.858 0.187 -10.804 1.00526.93 H new ATOM 876 N PHE A 52 25.928 -1.982 -5.285 1.00 73.80 N ATOM 877 CA PHE A 52 24.620 -2.433 -4.816 1.00 78.52 C ATOM 878 C PHE A 52 23.797 -1.232 -4.343 1.00 77.09 C ATOM 879 O PHE A 52 22.591 -1.155 -4.588 1.00 86.78 O ATOM 880 CB PHE A 52 24.775 -3.455 -3.683 1.00 81.58 C ATOM 881 CG PHE A 52 23.468 -4.036 -3.211 1.00 88.24 C ATOM 882 CD1 PHE A 52 22.824 -5.016 -3.949 1.00 96.73 C ATOM 883 CD2 PHE A 52 22.886 -3.602 -2.030 1.00114.33 C ATOM 884 CE1 PHE A 52 21.625 -5.551 -3.520 1.00134.05 C ATOM 885 CE2 PHE A 52 21.687 -4.132 -1.596 1.00151.49 C ATOM 886 CZ PHE A 52 21.054 -5.108 -2.342 1.00162.88 C ATOM 0 H PHE A 52 26.709 -2.295 -4.709 1.00 73.80 H new ATOM 0 HA PHE A 52 24.099 -2.918 -5.641 1.00 78.52 H new ATOM 0 HB2 PHE A 52 25.422 -4.265 -4.021 1.00 81.58 H new ATOM 0 HB3 PHE A 52 25.276 -2.978 -2.841 1.00 81.58 H new ATOM 0 HD1 PHE A 52 23.265 -5.366 -4.871 1.00 96.73 H new ATOM 0 HD2 PHE A 52 23.376 -2.840 -1.442 1.00114.33 H new ATOM 0 HE1 PHE A 52 21.134 -6.315 -4.105 1.00134.05 H new ATOM 0 HE2 PHE A 52 21.244 -3.784 -0.674 1.00151.49 H new ATOM 0 HZ PHE A 52 20.116 -5.523 -2.005 1.00162.88 H new ATOM 896 N VAL A 53 24.471 -0.297 -3.664 1.00 72.38 N ATOM 897 CA VAL A 53 23.832 0.914 -3.152 1.00 78.11 C ATOM 898 C VAL A 53 23.233 1.727 -4.298 1.00 78.26 C ATOM 899 O VAL A 53 22.151 2.294 -4.162 1.00 82.85 O ATOM 900 CB VAL A 53 24.828 1.792 -2.356 1.00 88.71 C ATOM 901 CG1 VAL A 53 24.218 3.147 -2.010 1.00139.01 C ATOM 902 CG2 VAL A 53 25.282 1.072 -1.093 1.00 99.39 C ATOM 0 H VAL A 53 25.468 -0.360 -3.457 1.00 72.38 H new ATOM 0 HA VAL A 53 23.037 0.601 -2.475 1.00 78.11 H new ATOM 0 HB VAL A 53 25.698 1.969 -2.989 1.00 88.71 H new ATOM 0 HG11 VAL A 53 24.942 3.740 -1.451 1.00139.01 H new ATOM 0 HG12 VAL A 53 23.951 3.671 -2.928 1.00139.01 H new ATOM 0 HG13 VAL A 53 23.324 3.000 -1.403 1.00139.01 H new ATOM 0 HG21 VAL A 53 25.982 1.704 -0.546 1.00 99.39 H new ATOM 0 HG22 VAL A 53 24.417 0.859 -0.465 1.00 99.39 H new ATOM 0 HG23 VAL A 53 25.773 0.137 -1.364 1.00 99.39 H new ATOM 912 N ASN A 54 23.948 1.781 -5.421 1.00 78.13 N ATOM 913 CA ASN A 54 23.484 2.522 -6.592 1.00 83.25 C ATOM 914 C ASN A 54 22.110 2.023 -7.041 1.00 84.63 C ATOM 915 O ASN A 54 21.209 2.825 -7.296 1.00 86.92 O ATOM 916 CB ASN A 54 24.488 2.377 -7.739 1.00 91.85 C ATOM 917 CG ASN A 54 24.058 3.109 -8.995 1.00 96.19 C ATOM 918 OD1 ASN A 54 23.510 2.512 -9.920 1.00198.61 O ATOM 919 ND2 ASN A 54 24.305 4.410 -9.036 1.00192.41 N ATOM 0 H ASN A 54 24.850 1.321 -5.544 1.00 78.13 H new ATOM 0 HA ASN A 54 23.399 3.574 -6.318 1.00 83.25 H new ATOM 0 HB2 ASN A 54 25.457 2.757 -7.417 1.00 91.85 H new ATOM 0 HB3 ASN A 54 24.620 1.320 -7.968 1.00 91.85 H new ATOM 0 HD21 ASN A 54 24.038 4.954 -9.856 1.00192.41 H new ATOM 0 HD22 ASN A 54 24.762 4.867 -8.247 1.00192.41 H new ATOM 926 N ARG A 55 21.954 0.703 -7.133 1.00 88.50 N ATOM 927 CA ARG A 55 20.675 0.120 -7.528 1.00 98.75 C ATOM 928 C ARG A 55 19.606 0.393 -6.471 1.00 97.79 C ATOM 929 O ARG A 55 18.460 0.689 -6.804 1.00101.21 O ATOM 930 CB ARG A 55 20.806 -1.384 -7.772 1.00116.41 C ATOM 931 CG ARG A 55 21.596 -1.727 -9.026 1.00288.25 C ATOM 932 CD ARG A 55 21.641 -3.226 -9.265 1.00341.30 C ATOM 933 NE ARG A 55 22.370 -3.559 -10.487 1.00604.73 N ATOM 934 CZ ARG A 55 22.476 -4.794 -10.970 1.00899.45 C ATOM 935 NH1 ARG A 55 21.894 -5.808 -10.345 1.00985.87 N1+ ATOM 936 NH2 ARG A 55 23.162 -5.015 -12.083 1.00999.99 N ATOM 0 H ARG A 55 22.690 0.024 -6.941 1.00 88.50 H new ATOM 0 HA ARG A 55 20.370 0.592 -8.462 1.00 98.75 H new ATOM 0 HB2 ARG A 55 21.290 -1.843 -6.910 1.00116.41 H new ATOM 0 HB3 ARG A 55 19.810 -1.820 -7.849 1.00116.41 H new ATOM 0 HG2 ARG A 55 21.145 -1.234 -9.887 1.00288.25 H new ATOM 0 HG3 ARG A 55 22.612 -1.342 -8.934 1.00288.25 H new ATOM 0 HD2 ARG A 55 22.115 -3.716 -8.414 1.00341.30 H new ATOM 0 HD3 ARG A 55 20.625 -3.614 -9.331 1.00341.30 H new ATOM 0 HE ARG A 55 22.823 -2.802 -10.998 1.00604.73 H new ATOM 0 HH11 ARG A 55 21.362 -5.643 -9.490 1.00985.87 H new ATOM 0 HH12 ARG A 55 21.978 -6.753 -10.719 1.00985.87 H new ATOM 0 HH21 ARG A 55 23.609 -4.238 -12.569 1.00999.99 H new ATOM 0 HH22 ARG A 55 23.243 -5.962 -12.453 1.00999.99 H new ATOM 950 N ARG A 56 19.991 0.287 -5.198 1.00 98.41 N ATOM 951 CA ARG A 56 19.073 0.545 -4.088 1.00106.42 C ATOM 952 C ARG A 56 18.593 1.997 -4.129 1.00100.09 C ATOM 953 O ARG A 56 17.402 2.278 -3.975 1.00108.57 O ATOM 954 CB ARG A 56 19.757 0.248 -2.749 1.00116.55 C ATOM 955 CG ARG A 56 18.861 0.455 -1.538 1.00185.66 C ATOM 956 CD ARG A 56 19.566 0.063 -0.248 1.00266.48 C ATOM 957 NE ARG A 56 18.735 0.308 0.929 1.00347.92 N ATOM 958 CZ ARG A 56 17.796 -0.531 1.365 1.00504.69 C ATOM 959 NH1 ARG A 56 17.574 -1.673 0.727 1.00659.58 N1+ ATOM 960 NH2 ARG A 56 17.083 -0.226 2.441 1.00799.65 N ATOM 0 H ARG A 56 20.934 0.024 -4.910 1.00 98.41 H new ATOM 0 HA ARG A 56 18.210 -0.113 -4.188 1.00106.42 H new ATOM 0 HB2 ARG A 56 20.111 -0.783 -2.754 1.00116.55 H new ATOM 0 HB3 ARG A 56 20.635 0.886 -2.652 1.00116.55 H new ATOM 0 HG2 ARG A 56 18.556 1.500 -1.484 1.00185.66 H new ATOM 0 HG3 ARG A 56 17.952 -0.136 -1.651 1.00185.66 H new ATOM 0 HD2 ARG A 56 19.834 -0.993 -0.288 1.00266.48 H new ATOM 0 HD3 ARG A 56 20.496 0.625 -0.158 1.00266.48 H new ATOM 0 HE ARG A 56 18.883 1.174 1.448 1.00347.92 H new ATOM 0 HH11 ARG A 56 18.123 -1.911 -0.099 1.00659.58 H new ATOM 0 HH12 ARG A 56 16.855 -2.313 1.063 1.00659.58 H new ATOM 0 HH21 ARG A 56 17.254 0.650 2.934 1.00799.65 H new ATOM 0 HH22 ARG A 56 16.364 -0.868 2.775 1.00799.65 H new ATOM 974 N TYR A 57 19.539 2.909 -4.340 1.00 92.07 N ATOM 975 CA TYR A 57 19.245 4.334 -4.433 1.00 93.10 C ATOM 976 C TYR A 57 18.289 4.599 -5.592 1.00 88.78 C ATOM 977 O TYR A 57 17.307 5.320 -5.444 1.00 94.67 O ATOM 978 CB TYR A 57 20.544 5.134 -4.609 1.00 97.74 C ATOM 979 CG TYR A 57 20.336 6.624 -4.791 1.00101.00 C ATOM 980 CD1 TYR A 57 20.005 7.439 -3.716 1.00118.80 C ATOM 981 CD2 TYR A 57 20.477 7.214 -6.040 1.00 98.55 C ATOM 982 CE1 TYR A 57 19.819 8.799 -3.883 1.00134.59 C ATOM 983 CE2 TYR A 57 20.292 8.571 -6.214 1.00109.80 C ATOM 984 CZ TYR A 57 19.965 9.359 -5.135 1.00127.99 C ATOM 985 OH TYR A 57 19.780 10.711 -5.308 1.00151.58 O ATOM 0 H TYR A 57 20.527 2.681 -4.451 1.00 92.07 H new ATOM 0 HA TYR A 57 18.765 4.656 -3.509 1.00 93.10 H new ATOM 0 HB2 TYR A 57 21.179 4.971 -3.738 1.00 97.74 H new ATOM 0 HB3 TYR A 57 21.083 4.745 -5.473 1.00 97.74 H new ATOM 0 HD1 TYR A 57 19.891 7.004 -2.734 1.00118.80 H new ATOM 0 HD2 TYR A 57 20.736 6.601 -6.890 1.00 98.55 H new ATOM 0 HE1 TYR A 57 19.561 9.419 -3.038 1.00134.59 H new ATOM 0 HE2 TYR A 57 20.404 9.012 -7.193 1.00109.80 H new ATOM 0 HH TYR A 57 19.551 11.122 -4.449 1.00151.58 H new ATOM 995 N MET A 58 18.593 4.009 -6.746 1.00 85.58 N ATOM 996 CA MET A 58 17.764 4.168 -7.936 1.00 88.65 C ATOM 997 C MET A 58 16.341 3.660 -7.699 1.00 92.75 C ATOM 998 O MET A 58 15.372 4.342 -8.035 1.00 94.75 O ATOM 999 CB MET A 58 18.393 3.421 -9.119 1.00 98.54 C ATOM 1000 CG MET A 58 17.568 3.481 -10.396 1.00121.45 C ATOM 1001 SD MET A 58 16.704 1.933 -10.732 1.00168.43 S ATOM 1002 CE MET A 58 15.233 2.531 -11.560 1.00126.04 C ATOM 0 H MET A 58 19.411 3.415 -6.881 1.00 85.58 H new ATOM 0 HA MET A 58 17.709 5.232 -8.165 1.00 88.65 H new ATOM 0 HB2 MET A 58 19.380 3.839 -9.316 1.00 98.54 H new ATOM 0 HB3 MET A 58 18.538 2.377 -8.841 1.00 98.54 H new ATOM 0 HG2 MET A 58 16.841 4.290 -10.318 1.00121.45 H new ATOM 0 HG3 MET A 58 18.221 3.719 -11.236 1.00121.45 H new ATOM 0 HE1 MET A 58 14.599 1.687 -11.830 1.00126.04 H new ATOM 0 HE2 MET A 58 14.686 3.198 -10.893 1.00126.04 H new ATOM 0 HE3 MET A 58 15.518 3.073 -12.462 1.00126.04 H new ATOM 1012 N GLN A 59 16.222 2.467 -7.114 1.00100.87 N ATOM 1013 CA GLN A 59 14.911 1.871 -6.850 1.00116.67 C ATOM 1014 C GLN A 59 14.086 2.711 -5.878 1.00119.74 C ATOM 1015 O GLN A 59 12.894 2.926 -6.096 1.00129.32 O ATOM 1016 CB GLN A 59 15.074 0.457 -6.286 1.00136.14 C ATOM 1017 CG GLN A 59 15.604 -0.550 -7.295 1.00224.10 C ATOM 1018 CD GLN A 59 15.708 -1.948 -6.718 1.00331.95 C ATOM 1019 OE1 GLN A 59 14.792 -2.424 -6.047 1.00419.53 O ATOM 1020 NE2 GLN A 59 16.822 -2.617 -6.978 1.00530.56 N ATOM 0 H GLN A 59 17.013 1.897 -6.815 1.00100.87 H new ATOM 0 HA GLN A 59 14.379 1.832 -7.801 1.00116.67 H new ATOM 0 HB2 GLN A 59 15.751 0.492 -5.432 1.00136.14 H new ATOM 0 HB3 GLN A 59 14.110 0.111 -5.914 1.00136.14 H new ATOM 0 HG2 GLN A 59 14.948 -0.567 -8.165 1.00224.10 H new ATOM 0 HG3 GLN A 59 16.586 -0.229 -7.642 1.00224.10 H new ATOM 0 HE21 GLN A 59 17.557 -2.186 -7.538 1.00530.56 H new ATOM 0 HE22 GLN A 59 16.944 -3.563 -6.618 1.00530.56 H new ATOM 1029 N THR A 60 14.723 3.195 -4.814 1.00119.28 N ATOM 1030 CA THR A 60 14.029 4.007 -3.818 1.00133.33 C ATOM 1031 C THR A 60 13.688 5.396 -4.356 1.00123.04 C ATOM 1032 O THR A 60 12.602 5.925 -4.093 1.00131.40 O ATOM 1033 CB THR A 60 14.860 4.135 -2.524 1.00155.64 C ATOM 1034 OG1 THR A 60 16.171 4.629 -2.823 1.00210.19 O ATOM 1035 CG2 THR A 60 14.971 2.795 -1.812 1.00293.49 C ATOM 0 H THR A 60 15.712 3.040 -4.620 1.00119.28 H new ATOM 0 HA THR A 60 13.096 3.493 -3.587 1.00133.33 H new ATOM 0 HB THR A 60 14.349 4.838 -1.866 1.00155.64 H new ATOM 0 HG1 THR A 60 16.730 3.895 -3.153 1.00210.19 H new ATOM 0 HG21 THR A 60 15.561 2.914 -0.904 1.00293.49 H new ATOM 0 HG22 THR A 60 13.975 2.437 -1.553 1.00293.49 H new ATOM 0 HG23 THR A 60 15.457 2.073 -2.469 1.00293.49 H new ATOM 1043 N HIS A 61 14.619 5.987 -5.103 1.00113.35 N ATOM 1044 CA HIS A 61 14.416 7.309 -5.690 1.00115.98 C ATOM 1045 C HIS A 61 13.271 7.276 -6.705 1.00107.49 C ATOM 1046 O HIS A 61 12.380 8.125 -6.680 1.00114.22 O ATOM 1047 CB HIS A 61 15.713 7.784 -6.360 1.00122.87 C ATOM 1048 CG HIS A 61 15.705 9.223 -6.784 1.00131.92 C ATOM 1049 ND1 HIS A 61 15.186 9.675 -7.977 1.00275.05 N ATOM 1050 CD2 HIS A 61 16.180 10.321 -6.144 1.00279.92 C ATOM 1051 CE1 HIS A 61 15.363 11.002 -8.025 1.00359.22 C ATOM 1052 NE2 HIS A 61 15.960 11.444 -6.935 1.00383.72 N ATOM 0 H HIS A 61 15.524 5.569 -5.316 1.00113.35 H new ATOM 0 HA HIS A 61 14.149 8.009 -4.899 1.00115.98 H new ATOM 0 HB2 HIS A 61 16.542 7.627 -5.670 1.00122.87 H new ATOM 0 HB3 HIS A 61 15.904 7.162 -7.235 1.00122.87 H new ATOM 0 HD2 HIS A 61 16.654 10.323 -5.174 1.00279.92 H new ATOM 0 HE1 HIS A 61 15.057 11.629 -8.849 1.00359.22 H new ATOM 0 HE2 HIS A 61 16.209 12.409 -6.717 1.00383.72 H new ATOM 1060 N TRP A 62 13.307 6.278 -7.585 1.00103.09 N ATOM 1061 CA TRP A 62 12.288 6.110 -8.619 1.00108.22 C ATOM 1062 C TRP A 62 10.909 5.833 -8.026 1.00109.99 C ATOM 1063 O TRP A 62 9.919 6.416 -8.461 1.00109.87 O ATOM 1064 CB TRP A 62 12.686 4.978 -9.574 1.00127.48 C ATOM 1065 CG TRP A 62 11.691 4.736 -10.671 1.00133.67 C ATOM 1066 CD1 TRP A 62 10.845 3.669 -10.786 1.00247.58 C ATOM 1067 CD2 TRP A 62 11.434 5.576 -11.803 1.00179.60 C ATOM 1068 NE1 TRP A 62 10.081 3.792 -11.920 1.00312.83 N ATOM 1069 CE2 TRP A 62 10.422 4.954 -12.562 1.00226.72 C ATOM 1070 CE3 TRP A 62 11.960 6.792 -12.250 1.00343.23 C ATOM 1071 CZ2 TRP A 62 9.928 5.509 -13.740 1.00315.75 C ATOM 1072 CZ3 TRP A 62 11.468 7.341 -13.421 1.00497.00 C ATOM 1073 CH2 TRP A 62 10.461 6.699 -14.154 1.00423.30 C ATOM 0 H TRP A 62 14.038 5.567 -7.602 1.00103.09 H new ATOM 0 HA TRP A 62 12.226 7.048 -9.171 1.00108.22 H new ATOM 0 HB2 TRP A 62 13.653 5.213 -10.018 1.00127.48 H new ATOM 0 HB3 TRP A 62 12.813 4.059 -9.001 1.00127.48 H new ATOM 0 HD1 TRP A 62 10.786 2.848 -10.086 1.00247.58 H new ATOM 0 HE1 TRP A 62 9.374 3.127 -12.234 1.00312.83 H new ATOM 0 HE3 TRP A 62 12.736 7.294 -11.691 1.00343.23 H new ATOM 0 HZ2 TRP A 62 9.151 5.017 -14.307 1.00315.75 H new ATOM 0 HZ3 TRP A 62 11.867 8.280 -13.776 1.00497.00 H new ATOM 0 HH2 TRP A 62 10.098 7.153 -15.064 1.00423.30 H new ATOM 1084 N ALA A 63 10.849 4.953 -7.026 1.00122.59 N ATOM 1085 CA ALA A 63 9.580 4.576 -6.400 1.00140.54 C ATOM 1086 C ALA A 63 8.835 5.771 -5.805 1.00132.51 C ATOM 1087 O ALA A 63 7.613 5.857 -5.917 1.00138.48 O ATOM 1088 CB ALA A 63 9.816 3.522 -5.326 1.00177.00 C ATOM 0 H ALA A 63 11.666 4.487 -6.631 1.00122.59 H new ATOM 0 HA ALA A 63 8.949 4.166 -7.188 1.00140.54 H new ATOM 0 HB1 ALA A 63 8.865 3.250 -4.868 1.00177.00 H new ATOM 0 HB2 ALA A 63 10.268 2.638 -5.777 1.00177.00 H new ATOM 0 HB3 ALA A 63 10.484 3.923 -4.564 1.00177.00 H new ATOM 1094 N ASN A 64 9.564 6.683 -5.167 1.00130.71 N ATOM 1095 CA ASN A 64 8.940 7.863 -4.558 1.00142.85 C ATOM 1096 C ASN A 64 8.303 8.777 -5.606 1.00123.82 C ATOM 1097 O ASN A 64 7.212 9.305 -5.395 1.00135.07 O ATOM 1098 CB ASN A 64 9.961 8.656 -3.736 1.00164.43 C ATOM 1099 CG ASN A 64 10.154 8.100 -2.335 1.00265.68 C ATOM 1100 OD1 ASN A 64 10.680 8.791 -1.443 1.00385.44 O ATOM 1101 ND2 ASN A 64 9.745 6.857 -2.122 1.00478.76 N ATOM 0 H ASN A 64 10.577 6.633 -5.057 1.00130.71 H new ATOM 0 HA ASN A 64 8.151 7.500 -3.899 1.00142.85 H new ATOM 0 HB2 ASN A 64 10.919 8.655 -4.257 1.00164.43 H new ATOM 0 HB3 ASN A 64 9.637 9.694 -3.668 1.00164.43 H new ATOM 0 HD21 ASN A 64 9.857 6.434 -1.201 1.00478.76 H new ATOM 0 HD22 ASN A 64 9.319 6.324 -2.880 1.00478.76 H new ATOM 1108 N TYR A 65 8.986 8.960 -6.732 1.00107.76 N ATOM 1109 CA TYR A 65 8.483 9.817 -7.805 1.00105.48 C ATOM 1110 C TYR A 65 7.465 9.089 -8.681 1.00 96.64 C ATOM 1111 O TYR A 65 6.603 9.718 -9.297 1.00 99.98 O ATOM 1112 CB TYR A 65 9.643 10.335 -8.660 1.00113.05 C ATOM 1113 CG TYR A 65 10.489 11.379 -7.963 1.00145.73 C ATOM 1114 CD1 TYR A 65 11.568 11.011 -7.167 1.00232.85 C ATOM 1115 CD2 TYR A 65 10.208 12.732 -8.098 1.00235.47 C ATOM 1116 CE1 TYR A 65 12.338 11.961 -6.525 1.00386.18 C ATOM 1117 CE2 TYR A 65 10.976 13.689 -7.461 1.00391.55 C ATOM 1118 CZ TYR A 65 12.038 13.297 -6.676 1.00454.97 C ATOM 1119 OH TYR A 65 12.804 14.245 -6.037 1.00727.09 O ATOM 0 H TYR A 65 9.889 8.527 -6.927 1.00107.76 H new ATOM 0 HA TYR A 65 7.975 10.662 -7.340 1.00105.48 H new ATOM 0 HB2 TYR A 65 10.277 9.495 -8.944 1.00113.05 H new ATOM 0 HB3 TYR A 65 9.244 10.759 -9.581 1.00113.05 H new ATOM 0 HD1 TYR A 65 11.808 9.965 -7.049 1.00232.85 H new ATOM 0 HD2 TYR A 65 9.375 13.042 -8.711 1.00235.47 H new ATOM 0 HE1 TYR A 65 13.171 11.658 -5.908 1.00386.18 H new ATOM 0 HE2 TYR A 65 10.745 14.737 -7.578 1.00391.55 H new ATOM 0 HH TYR A 65 12.461 15.139 -6.248 1.00727.09 H new ATOM 1129 N MET A 66 7.585 7.761 -8.739 1.00100.31 N ATOM 1130 CA MET A 66 6.690 6.919 -9.535 1.00109.39 C ATOM 1131 C MET A 66 5.220 7.188 -9.222 1.00 98.69 C ATOM 1132 O MET A 66 4.392 7.239 -10.127 1.00 95.47 O ATOM 1133 CB MET A 66 6.998 5.438 -9.295 1.00145.18 C ATOM 1134 CG MET A 66 6.145 4.493 -10.129 1.00219.57 C ATOM 1135 SD MET A 66 6.366 2.766 -9.666 1.00467.34 S ATOM 1136 CE MET A 66 5.448 2.715 -8.130 1.00664.46 C ATOM 0 H MET A 66 8.304 7.240 -8.237 1.00100.31 H new ATOM 0 HA MET A 66 6.864 7.168 -10.582 1.00109.39 H new ATOM 0 HB2 MET A 66 8.050 5.254 -9.515 1.00145.18 H new ATOM 0 HB3 MET A 66 6.849 5.211 -8.239 1.00145.18 H new ATOM 0 HG2 MET A 66 5.095 4.763 -10.017 1.00219.57 H new ATOM 0 HG3 MET A 66 6.396 4.618 -11.182 1.00219.57 H new ATOM 0 HE1 MET A 66 5.199 1.682 -7.889 1.00664.46 H new ATOM 0 HE2 MET A 66 6.055 3.138 -7.329 1.00664.46 H new ATOM 0 HE3 MET A 66 4.531 3.294 -8.235 1.00664.46 H new ATOM 1146 N LEU A 67 4.903 7.356 -7.939 1.00106.10 N ATOM 1147 CA LEU A 67 3.525 7.600 -7.509 1.00116.66 C ATOM 1148 C LEU A 67 2.950 8.858 -8.159 1.00108.80 C ATOM 1149 O LEU A 67 1.810 8.853 -8.630 1.00118.57 O ATOM 1150 CB LEU A 67 3.455 7.728 -5.983 1.00148.14 C ATOM 1151 CG LEU A 67 3.144 6.433 -5.223 1.00211.08 C ATOM 1152 CD1 LEU A 67 1.771 5.902 -5.609 1.00447.74 C ATOM 1153 CD2 LEU A 67 4.215 5.382 -5.482 1.00275.63 C ATOM 0 H LEU A 67 5.582 7.328 -7.178 1.00106.10 H new ATOM 0 HA LEU A 67 2.926 6.747 -7.828 1.00116.66 H new ATOM 0 HB2 LEU A 67 4.408 8.118 -5.625 1.00148.14 H new ATOM 0 HB3 LEU A 67 2.694 8.467 -5.733 1.00148.14 H new ATOM 0 HG LEU A 67 3.139 6.659 -4.157 1.00211.08 H new ATOM 0 HD11 LEU A 67 1.569 4.983 -5.059 1.00447.74 H new ATOM 0 HD12 LEU A 67 1.012 6.645 -5.365 1.00447.74 H new ATOM 0 HD13 LEU A 67 1.748 5.697 -6.679 1.00447.74 H new ATOM 0 HD21 LEU A 67 3.973 4.472 -4.932 1.00275.63 H new ATOM 0 HD22 LEU A 67 4.258 5.161 -6.549 1.00275.63 H new ATOM 0 HD23 LEU A 67 5.183 5.759 -5.151 1.00275.63 H new ATOM 1165 N TRP A 68 3.737 9.928 -8.182 1.00106.53 N ATOM 1166 CA TRP A 68 3.301 11.185 -8.781 1.00124.45 C ATOM 1167 C TRP A 68 3.144 11.040 -10.293 1.00115.98 C ATOM 1168 O TRP A 68 2.188 11.551 -10.882 1.00137.68 O ATOM 1169 CB TRP A 68 4.302 12.301 -8.465 1.00141.87 C ATOM 1170 CG TRP A 68 4.402 12.625 -7.003 1.00235.50 C ATOM 1171 CD1 TRP A 68 3.458 12.398 -6.041 1.00490.24 C ATOM 1172 CD2 TRP A 68 5.516 13.228 -6.335 1.00400.41 C ATOM 1173 NE1 TRP A 68 3.916 12.829 -4.820 1.00738.82 N ATOM 1174 CE2 TRP A 68 5.177 13.342 -4.973 1.00651.44 C ATOM 1175 CE3 TRP A 68 6.769 13.686 -6.757 1.00657.26 C ATOM 1176 CZ2 TRP A 68 6.044 13.892 -4.033 1.00999.99 C ATOM 1177 CZ3 TRP A 68 7.628 14.232 -5.822 1.00999.99 C ATOM 1178 CH2 TRP A 68 7.262 14.330 -4.474 1.00999.99 C ATOM 0 H TRP A 68 4.680 9.951 -7.793 1.00106.53 H new ATOM 0 HA TRP A 68 2.332 11.445 -8.355 1.00124.45 H new ATOM 0 HB2 TRP A 68 5.286 12.009 -8.832 1.00141.87 H new ATOM 0 HB3 TRP A 68 4.013 13.201 -9.009 1.00141.87 H new ATOM 0 HD1 TRP A 68 2.493 11.946 -6.215 1.00490.24 H new ATOM 0 HE1 TRP A 68 3.401 12.776 -3.941 1.00738.82 H new ATOM 0 HE3 TRP A 68 7.060 13.614 -7.795 1.00657.26 H new ATOM 0 HZ2 TRP A 68 5.765 13.970 -2.993 1.00999.99 H new ATOM 0 HZ3 TRP A 68 8.598 14.589 -6.136 1.00999.99 H new ATOM 0 HH2 TRP A 68 7.956 14.761 -3.768 1.00999.99 H new ATOM 1189 N ILE A 69 4.089 10.335 -10.912 1.00100.14 N ATOM 1190 CA ILE A 69 4.069 10.109 -12.356 1.00109.34 C ATOM 1191 C ILE A 69 2.894 9.213 -12.756 1.00 98.52 C ATOM 1192 O ILE A 69 2.175 9.503 -13.714 1.00102.48 O ATOM 1193 CB ILE A 69 5.396 9.471 -12.834 1.00126.71 C ATOM 1194 CG1 ILE A 69 6.580 10.397 -12.529 1.00180.43 C ATOM 1195 CG2 ILE A 69 5.342 9.154 -14.324 1.00229.70 C ATOM 1196 CD1 ILE A 69 6.484 11.755 -13.194 1.00398.95 C ATOM 0 H ILE A 69 4.882 9.908 -10.433 1.00100.14 H new ATOM 0 HA ILE A 69 3.950 11.080 -12.837 1.00109.34 H new ATOM 0 HB ILE A 69 5.536 8.537 -12.291 1.00126.71 H new ATOM 0 HG12 ILE A 69 6.652 10.536 -11.450 1.00180.43 H new ATOM 0 HG13 ILE A 69 7.501 9.911 -12.850 1.00180.43 H new ATOM 0 HG21 ILE A 69 6.286 8.707 -14.635 1.00229.70 H new ATOM 0 HG22 ILE A 69 4.528 8.456 -14.518 1.00229.70 H new ATOM 0 HG23 ILE A 69 5.173 10.073 -14.886 1.00229.70 H new ATOM 0 HD11 ILE A 69 7.357 12.352 -12.930 1.00398.95 H new ATOM 0 HD12 ILE A 69 6.444 11.628 -14.276 1.00398.95 H new ATOM 0 HD13 ILE A 69 5.581 12.263 -12.855 1.00398.95 H new ATOM 1208 N ASN A 70 2.702 8.131 -12.001 1.00 98.70 N ATOM 1209 CA ASN A 70 1.624 7.176 -12.260 1.00108.34 C ATOM 1210 C ASN A 70 0.256 7.837 -12.153 1.00120.06 C ATOM 1211 O ASN A 70 -0.629 7.580 -12.972 1.00131.59 O ATOM 1212 CB ASN A 70 1.708 6.004 -11.278 1.00133.91 C ATOM 1213 CG ASN A 70 0.636 4.961 -11.524 1.00223.62 C ATOM 1214 OD1 ASN A 70 0.600 4.324 -12.578 1.00293.89 O ATOM 1215 ND2 ASN A 70 -0.249 4.783 -10.551 1.00366.97 N ATOM 0 H ASN A 70 3.285 7.893 -11.198 1.00 98.70 H new ATOM 0 HA ASN A 70 1.746 6.808 -13.279 1.00108.34 H new ATOM 0 HB2 ASN A 70 2.690 5.537 -11.358 1.00133.91 H new ATOM 0 HB3 ASN A 70 1.617 6.381 -10.259 1.00133.91 H new ATOM 0 HD21 ASN A 70 -0.996 4.097 -10.660 1.00366.97 H new ATOM 0 HD22 ASN A 70 -0.182 5.332 -9.694 1.00366.97 H new ATOM 1222 N LYS A 71 0.086 8.687 -11.143 1.00128.99 N ATOM 1223 CA LYS A 71 -1.179 9.382 -10.932 1.00158.88 C ATOM 1224 C LYS A 71 -1.527 10.246 -12.143 1.00165.29 C ATOM 1225 O LYS A 71 -2.664 10.233 -12.617 1.00199.45 O ATOM 1226 CB LYS A 71 -1.106 10.244 -9.666 1.00176.32 C ATOM 1227 CG LYS A 71 -2.403 10.970 -9.339 1.00189.37 C ATOM 1228 CD LYS A 71 -2.281 11.781 -8.058 1.00297.71 C ATOM 1229 CE LYS A 71 -3.589 12.478 -7.712 1.00468.76 C ATOM 1230 NZ LYS A 71 -3.988 13.464 -8.753 1.00709.01 N1+ ATOM 0 H LYS A 71 0.809 8.910 -10.459 1.00128.99 H new ATOM 0 HA LYS A 71 -1.965 8.637 -10.804 1.00158.88 H new ATOM 0 HB2 LYS A 71 -0.833 9.610 -8.822 1.00176.32 H new ATOM 0 HB3 LYS A 71 -0.310 10.979 -9.784 1.00176.32 H new ATOM 0 HG2 LYS A 71 -2.670 11.630 -10.164 1.00189.37 H new ATOM 0 HG3 LYS A 71 -3.211 10.245 -9.236 1.00189.37 H new ATOM 0 HD2 LYS A 71 -1.989 11.125 -7.238 1.00297.71 H new ATOM 0 HD3 LYS A 71 -1.491 12.523 -8.170 1.00297.71 H new ATOM 0 HE2 LYS A 71 -4.377 11.734 -7.597 1.00468.76 H new ATOM 0 HE3 LYS A 71 -3.487 12.985 -6.753 1.00468.76 H new ATOM 0 HZ1 LYS A 71 -4.774 14.045 -8.398 1.00709.01 H new ATOM 0 HZ2 LYS A 71 -3.179 14.077 -8.979 1.00709.01 H new ATOM 0 HZ3 LYS A 71 -4.291 12.960 -9.611 1.00709.01 H new ATOM 1244 N LYS A 72 -0.540 10.990 -12.644 1.00147.67 N ATOM 1245 CA LYS A 72 -0.748 11.850 -13.806 1.00167.79 C ATOM 1246 C LYS A 72 -1.074 11.028 -15.053 1.00155.98 C ATOM 1247 O LYS A 72 -1.968 11.386 -15.821 1.00185.51 O ATOM 1248 CB LYS A 72 0.495 12.709 -14.065 1.00170.64 C ATOM 1249 CG LYS A 72 0.762 13.749 -12.988 1.00316.84 C ATOM 1250 CD LYS A 72 -0.320 14.821 -12.961 1.00381.24 C ATOM 1251 CE LYS A 72 0.048 15.960 -12.022 1.00594.12 C ATOM 1252 NZ LYS A 72 0.153 15.506 -10.608 1.00931.14 N1+ ATOM 0 H LYS A 72 0.406 11.014 -12.264 1.00147.67 H new ATOM 0 HA LYS A 72 -1.596 12.499 -13.589 1.00167.79 H new ATOM 0 HB2 LYS A 72 1.364 12.057 -14.149 1.00170.64 H new ATOM 0 HB3 LYS A 72 0.382 13.215 -15.024 1.00170.64 H new ATOM 0 HG2 LYS A 72 0.815 13.260 -12.015 1.00316.84 H new ATOM 0 HG3 LYS A 72 1.732 14.215 -13.164 1.00316.84 H new ATOM 0 HD2 LYS A 72 -0.472 15.212 -13.967 1.00381.24 H new ATOM 0 HD3 LYS A 72 -1.265 14.378 -12.645 1.00381.24 H new ATOM 0 HE2 LYS A 72 0.997 16.395 -12.334 1.00594.12 H new ATOM 0 HE3 LYS A 72 -0.703 16.747 -12.095 1.00594.12 H new ATOM 0 HZ1 LYS A 72 0.338 16.324 -9.994 1.00931.14 H new ATOM 0 HZ2 LYS A 72 -0.738 15.053 -10.322 1.00931.14 H new ATOM 0 HZ3 LYS A 72 0.932 14.823 -10.520 1.00931.14 H new ATOM 1266 N ILE A 73 -0.351 9.922 -15.244 1.00124.40 N ATOM 1267 CA ILE A 73 -0.573 9.047 -16.396 1.00120.21 C ATOM 1268 C ILE A 73 -1.968 8.424 -16.355 1.00146.29 C ATOM 1269 O ILE A 73 -2.692 8.429 -17.354 1.00164.56 O ATOM 1270 CB ILE A 73 0.496 7.930 -16.476 1.00101.39 C ATOM 1271 CG1 ILE A 73 1.868 8.528 -16.800 1.00 92.06 C ATOM 1272 CG2 ILE A 73 0.119 6.883 -17.520 1.00111.59 C ATOM 1273 CD1 ILE A 73 3.008 7.545 -16.653 1.00175.26 C ATOM 0 H ILE A 73 0.391 9.612 -14.617 1.00124.40 H new ATOM 0 HA ILE A 73 -0.490 9.668 -17.288 1.00120.21 H new ATOM 0 HB ILE A 73 0.544 7.440 -15.504 1.00101.39 H new ATOM 0 HG12 ILE A 73 1.857 8.908 -17.821 1.00 92.06 H new ATOM 0 HG13 ILE A 73 2.047 9.380 -16.144 1.00 92.06 H new ATOM 0 HG21 ILE A 73 0.887 6.111 -17.555 1.00111.59 H new ATOM 0 HG22 ILE A 73 -0.837 6.432 -17.254 1.00111.59 H new ATOM 0 HG23 ILE A 73 0.037 7.357 -18.498 1.00111.59 H new ATOM 0 HD11 ILE A 73 3.948 8.039 -16.899 1.00175.26 H new ATOM 0 HD12 ILE A 73 3.046 7.183 -15.626 1.00175.26 H new ATOM 0 HD13 ILE A 73 2.853 6.704 -17.329 1.00175.26 H new ATOM 1285 N ASP A 74 -2.347 7.901 -15.187 1.00158.55 N ATOM 1286 CA ASP A 74 -3.655 7.272 -15.015 1.00202.00 C ATOM 1287 C ASP A 74 -4.784 8.271 -15.240 1.00242.74 C ATOM 1288 O ASP A 74 -5.802 7.938 -15.843 1.00281.70 O ATOM 1289 CB ASP A 74 -3.784 6.648 -13.621 1.00220.79 C ATOM 1290 CG ASP A 74 -2.957 5.387 -13.461 1.00329.98 C ATOM 1291 OD1 ASP A 74 -2.476 4.851 -14.483 1.00443.19 O ATOM 1292 OD2 ASP A 74 -2.795 4.932 -12.310 1.00427.10 O1- ATOM 0 H ASP A 74 -1.767 7.901 -14.348 1.00158.55 H new ATOM 0 HA ASP A 74 -3.736 6.484 -15.763 1.00202.00 H new ATOM 0 HB2 ASP A 74 -3.475 7.377 -12.872 1.00220.79 H new ATOM 0 HB3 ASP A 74 -4.831 6.417 -13.427 1.00220.79 H new ATOM 1297 N ALA A 75 -4.604 9.492 -14.735 1.00246.88 N ATOM 1298 CA ALA A 75 -5.609 10.540 -14.893 1.00303.14 C ATOM 1299 C ALA A 75 -5.793 10.920 -16.362 1.00309.74 C ATOM 1300 O ALA A 75 -6.913 11.150 -16.814 1.00366.44 O ATOM 1301 CB ALA A 75 -5.225 11.763 -14.074 1.00317.77 C ATOM 0 H ALA A 75 -3.774 9.778 -14.215 1.00246.88 H new ATOM 0 HA ALA A 75 -6.560 10.151 -14.528 1.00303.14 H new ATOM 0 HB1 ALA A 75 -5.982 12.537 -14.200 1.00317.77 H new ATOM 0 HB2 ALA A 75 -5.158 11.489 -13.021 1.00317.77 H new ATOM 0 HB3 ALA A 75 -4.260 12.140 -14.413 1.00317.77 H new ATOM 1307 N LEU A 76 -4.682 10.995 -17.098 1.00262.22 N ATOM 1308 CA LEU A 76 -4.725 11.335 -18.518 1.00269.91 C ATOM 1309 C LEU A 76 -5.347 10.208 -19.341 1.00268.22 C ATOM 1310 O LEU A 76 -6.111 10.456 -20.273 1.00302.70 O ATOM 1311 CB LEU A 76 -3.318 11.642 -19.041 1.00232.17 C ATOM 1312 CG LEU A 76 -2.690 12.931 -18.509 1.00295.01 C ATOM 1313 CD1 LEU A 76 -1.229 13.022 -18.923 1.00354.50 C ATOM 1314 CD2 LEU A 76 -3.461 14.148 -19.001 1.00386.93 C ATOM 0 H LEU A 76 -3.745 10.825 -16.733 1.00262.22 H new ATOM 0 HA LEU A 76 -5.348 12.223 -18.624 1.00269.91 H new ATOM 0 HB2 LEU A 76 -2.664 10.807 -18.788 1.00232.17 H new ATOM 0 HB3 LEU A 76 -3.357 11.698 -20.129 1.00232.17 H new ATOM 0 HG LEU A 76 -2.740 12.912 -17.420 1.00295.01 H new ATOM 0 HD11 LEU A 76 -0.798 13.945 -18.536 1.00354.50 H new ATOM 0 HD12 LEU A 76 -0.683 12.169 -18.519 1.00354.50 H new ATOM 0 HD13 LEU A 76 -1.158 13.017 -20.011 1.00354.50 H new ATOM 0 HD21 LEU A 76 -2.998 15.054 -18.611 1.00386.93 H new ATOM 0 HD22 LEU A 76 -3.445 14.172 -20.091 1.00386.93 H new ATOM 0 HD23 LEU A 76 -4.493 14.090 -18.654 1.00386.93 H new ATOM 1326 N GLY A 77 -4.999 8.970 -18.995 1.00237.46 N ATOM 1327 CA GLY A 77 -5.528 7.816 -19.705 1.00244.67 C ATOM 1328 C GLY A 77 -4.678 7.431 -20.904 1.00214.25 C ATOM 1329 O GLY A 77 -4.903 6.393 -21.527 1.00215.50 O ATOM 0 H GLY A 77 -4.359 8.745 -18.234 1.00237.46 H new ATOM 0 HA2 GLY A 77 -5.590 6.970 -19.021 1.00244.67 H new ATOM 0 HA3 GLY A 77 -6.543 8.032 -20.038 1.00244.67 H new ATOM 1333 N ARG A 78 -3.705 8.276 -21.227 1.00197.65 N ATOM 1334 CA ARG A 78 -2.809 8.040 -22.355 1.00177.49 C ATOM 1335 C ARG A 78 -1.780 6.954 -22.042 1.00145.33 C ATOM 1336 O ARG A 78 -1.419 6.741 -20.884 1.00130.99 O ATOM 1337 CB ARG A 78 -2.097 9.336 -22.748 1.00186.05 C ATOM 1338 CG ARG A 78 -3.017 10.361 -23.395 1.00259.99 C ATOM 1339 CD ARG A 78 -2.309 11.690 -23.612 1.00444.33 C ATOM 1340 NE ARG A 78 -3.148 12.650 -24.328 1.00529.49 N ATOM 1341 CZ ARG A 78 -4.089 13.394 -23.751 1.00845.06 C ATOM 1342 NH1 ARG A 78 -4.313 13.294 -22.446 1.00999.99 N1+ ATOM 1343 NH2 ARG A 78 -4.806 14.238 -24.480 1.00999.99 N ATOM 0 H ARG A 78 -3.515 9.139 -20.718 1.00197.65 H new ATOM 0 HA ARG A 78 -3.417 7.694 -23.191 1.00177.49 H new ATOM 0 HB2 ARG A 78 -1.643 9.776 -21.860 1.00186.05 H new ATOM 0 HB3 ARG A 78 -1.286 9.101 -23.437 1.00186.05 H new ATOM 0 HG2 ARG A 78 -3.374 9.978 -24.351 1.00259.99 H new ATOM 0 HG3 ARG A 78 -3.893 10.513 -22.765 1.00259.99 H new ATOM 0 HD2 ARG A 78 -2.022 12.109 -22.648 1.00444.33 H new ATOM 0 HD3 ARG A 78 -1.390 11.523 -24.174 1.00444.33 H new ATOM 0 HE ARG A 78 -3.003 12.756 -25.332 1.00529.49 H new ATOM 0 HH11 ARG A 78 -3.763 12.646 -21.882 1.00999.99 H new ATOM 0 HH12 ARG A 78 -5.035 13.866 -22.007 1.00999.99 H new ATOM 0 HH21 ARG A 78 -4.636 14.317 -25.483 1.00999.99 H new ATOM 0 HH22 ARG A 78 -5.527 14.808 -24.038 1.00999.99 H new ATOM 1357 N THR A 79 -1.309 6.280 -23.085 1.00147.30 N ATOM 1358 CA THR A 79 -0.315 5.223 -22.938 1.00129.07 C ATOM 1359 C THR A 79 1.042 5.680 -23.476 1.00107.84 C ATOM 1360 O THR A 79 1.295 5.606 -24.679 1.00121.55 O ATOM 1361 CB THR A 79 -0.750 3.944 -23.680 1.00153.24 C ATOM 1362 OG1 THR A 79 -1.163 4.271 -25.013 1.00174.15 O ATOM 1363 CG2 THR A 79 -1.889 3.251 -22.950 1.00263.29 C ATOM 0 H THR A 79 -1.602 6.448 -24.047 1.00147.30 H new ATOM 0 HA THR A 79 -0.228 5.002 -21.874 1.00129.07 H new ATOM 0 HB THR A 79 0.102 3.265 -23.716 1.00153.24 H new ATOM 0 HG1 THR A 79 -0.487 4.842 -25.434 1.00174.15 H new ATOM 0 HG21 THR A 79 -2.177 2.352 -23.495 1.00263.29 H new ATOM 0 HG22 THR A 79 -1.565 2.979 -21.945 1.00263.29 H new ATOM 0 HG23 THR A 79 -2.743 3.925 -22.886 1.00263.29 H new ATOM 1371 N PRO A 80 1.929 6.174 -22.590 1.00105.89 N ATOM 1372 CA PRO A 80 3.256 6.660 -22.988 1.00 99.27 C ATOM 1373 C PRO A 80 4.209 5.539 -23.412 1.00 71.39 C ATOM 1374 O PRO A 80 4.152 4.421 -22.897 1.00 73.88 O ATOM 1375 CB PRO A 80 3.768 7.358 -21.726 1.00135.47 C ATOM 1376 CG PRO A 80 3.063 6.676 -20.605 1.00173.89 C ATOM 1377 CD PRO A 80 1.708 6.301 -21.134 1.00146.19 C ATOM 0 HA PRO A 80 3.199 7.308 -23.862 1.00 99.27 H new ATOM 0 HB2 PRO A 80 4.850 7.261 -21.631 1.00135.47 H new ATOM 0 HB3 PRO A 80 3.544 8.425 -21.745 1.00135.47 H new ATOM 0 HG2 PRO A 80 3.612 5.793 -20.279 1.00173.89 H new ATOM 0 HG3 PRO A 80 2.976 7.335 -19.741 1.00173.89 H new ATOM 0 HD2 PRO A 80 1.352 5.367 -20.699 1.00146.19 H new ATOM 0 HD3 PRO A 80 0.963 7.063 -20.906 1.00146.19 H new ATOM 1385 N VAL A 81 5.089 5.859 -24.356 1.00 74.50 N ATOM 1386 CA VAL A 81 6.069 4.903 -24.862 1.00 73.51 C ATOM 1387 C VAL A 81 7.447 5.142 -24.238 1.00 58.31 C ATOM 1388 O VAL A 81 7.600 6.005 -23.374 1.00 53.72 O ATOM 1389 CB VAL A 81 6.179 4.969 -26.403 1.00118.66 C ATOM 1390 CG1 VAL A 81 4.914 4.425 -27.051 1.00201.66 C ATOM 1391 CG2 VAL A 81 6.445 6.395 -26.870 1.00126.19 C ATOM 0 H VAL A 81 5.143 6.781 -24.789 1.00 74.50 H new ATOM 0 HA VAL A 81 5.720 3.910 -24.580 1.00 73.51 H new ATOM 0 HB VAL A 81 7.022 4.349 -26.709 1.00118.66 H new ATOM 0 HG11 VAL A 81 5.009 4.479 -28.136 1.00201.66 H new ATOM 0 HG12 VAL A 81 4.769 3.387 -26.751 1.00201.66 H new ATOM 0 HG13 VAL A 81 4.057 5.019 -26.732 1.00201.66 H new ATOM 0 HG21 VAL A 81 6.518 6.414 -27.957 1.00126.19 H new ATOM 0 HG22 VAL A 81 5.628 7.041 -26.550 1.00126.19 H new ATOM 0 HG23 VAL A 81 7.380 6.751 -26.437 1.00126.19 H new ATOM 1401 N VAL A 82 8.447 4.386 -24.699 1.00 61.16 N ATOM 1402 CA VAL A 82 9.814 4.507 -24.183 1.00 54.41 C ATOM 1403 C VAL A 82 10.342 5.929 -24.378 1.00 57.95 C ATOM 1404 O VAL A 82 10.982 6.487 -23.486 1.00 54.39 O ATOM 1405 CB VAL A 82 10.775 3.500 -24.861 1.00 69.04 C ATOM 1406 CG1 VAL A 82 12.224 3.768 -24.468 1.00 67.92 C ATOM 1407 CG2 VAL A 82 10.392 2.071 -24.510 1.00 81.09 C ATOM 0 H VAL A 82 8.336 3.683 -25.429 1.00 61.16 H new ATOM 0 HA VAL A 82 9.775 4.278 -23.118 1.00 54.41 H new ATOM 0 HB VAL A 82 10.685 3.632 -25.939 1.00 69.04 H new ATOM 0 HG11 VAL A 82 12.874 3.045 -24.960 1.00 67.92 H new ATOM 0 HG12 VAL A 82 12.504 4.776 -24.775 1.00 67.92 H new ATOM 0 HG13 VAL A 82 12.331 3.676 -23.387 1.00 67.92 H new ATOM 0 HG21 VAL A 82 11.080 1.380 -24.997 1.00 81.09 H new ATOM 0 HG22 VAL A 82 10.445 1.935 -23.430 1.00 81.09 H new ATOM 0 HG23 VAL A 82 9.376 1.872 -24.851 1.00 81.09 H new ATOM 1417 N GLY A 83 10.068 6.512 -25.545 1.00 75.64 N ATOM 1418 CA GLY A 83 10.512 7.869 -25.818 1.00 94.40 C ATOM 1419 C GLY A 83 9.930 8.872 -24.835 1.00 94.83 C ATOM 1420 O GLY A 83 10.618 9.792 -24.398 1.00106.63 O ATOM 0 H GLY A 83 9.548 6.070 -26.303 1.00 75.64 H new ATOM 0 HA2 GLY A 83 11.600 7.909 -25.774 1.00 94.40 H new ATOM 0 HA3 GLY A 83 10.224 8.147 -26.832 1.00 94.40 H new ATOM 1424 N ASP A 84 8.654 8.700 -24.498 1.00 92.18 N ATOM 1425 CA ASP A 84 7.987 9.583 -23.540 1.00102.40 C ATOM 1426 C ASP A 84 8.594 9.425 -22.147 1.00 86.66 C ATOM 1427 O ASP A 84 8.783 10.401 -21.423 1.00 97.33 O ATOM 1428 CB ASP A 84 6.488 9.283 -23.483 1.00115.37 C ATOM 1429 CG ASP A 84 5.749 9.721 -24.732 1.00251.00 C ATOM 1430 OD1 ASP A 84 6.301 10.539 -25.496 1.00343.77 O ATOM 1431 OD2 ASP A 84 4.622 9.229 -24.952 1.00397.23 O1- ATOM 0 H ASP A 84 8.061 7.959 -24.872 1.00 92.18 H new ATOM 0 HA ASP A 84 8.131 10.610 -23.875 1.00102.40 H new ATOM 0 HB2 ASP A 84 6.342 8.213 -23.338 1.00115.37 H new ATOM 0 HB3 ASP A 84 6.055 9.784 -22.617 1.00115.37 H new ATOM 1436 N TYR A 85 8.889 8.177 -21.783 1.00 69.93 N ATOM 1437 CA TYR A 85 9.476 7.863 -20.481 1.00 64.74 C ATOM 1438 C TYR A 85 10.914 8.364 -20.361 1.00 62.43 C ATOM 1439 O TYR A 85 11.333 8.792 -19.286 1.00 66.14 O ATOM 1440 CB TYR A 85 9.437 6.354 -20.216 1.00 61.79 C ATOM 1441 CG TYR A 85 8.105 5.846 -19.704 1.00 59.01 C ATOM 1442 CD1 TYR A 85 7.243 5.134 -20.528 1.00112.09 C ATOM 1443 CD2 TYR A 85 7.718 6.070 -18.389 1.00109.27 C ATOM 1444 CE1 TYR A 85 6.033 4.661 -20.058 1.00147.96 C ATOM 1445 CE2 TYR A 85 6.509 5.601 -17.911 1.00132.22 C ATOM 1446 CZ TYR A 85 5.670 4.897 -18.749 1.00117.15 C ATOM 1447 OH TYR A 85 4.467 4.427 -18.275 1.00176.41 O ATOM 0 H TYR A 85 8.730 7.363 -22.376 1.00 69.93 H new ATOM 0 HA TYR A 85 8.874 8.380 -19.734 1.00 64.74 H new ATOM 0 HB2 TYR A 85 9.683 5.828 -21.139 1.00 61.79 H new ATOM 0 HB3 TYR A 85 10.211 6.104 -19.491 1.00 61.79 H new ATOM 0 HD1 TYR A 85 7.523 4.947 -21.554 1.00112.09 H new ATOM 0 HD2 TYR A 85 8.373 6.620 -17.729 1.00109.27 H new ATOM 0 HE1 TYR A 85 5.375 4.109 -20.713 1.00147.96 H new ATOM 0 HE2 TYR A 85 6.223 5.785 -16.886 1.00132.22 H new ATOM 0 HH TYR A 85 4.366 4.678 -17.333 1.00176.41 H new ATOM 1457 N THR A 86 11.670 8.299 -21.462 1.00 61.53 N ATOM 1458 CA THR A 86 13.069 8.733 -21.458 1.00 68.56 C ATOM 1459 C THR A 86 13.204 10.203 -21.041 1.00 71.75 C ATOM 1460 O THR A 86 14.204 10.586 -20.432 1.00 78.21 O ATOM 1461 CB THR A 86 13.756 8.482 -22.829 1.00 77.74 C ATOM 1462 OG1 THR A 86 15.154 8.237 -22.639 1.00165.16 O ATOM 1463 CG2 THR A 86 13.586 9.652 -23.789 1.00224.32 C ATOM 0 H THR A 86 11.338 7.952 -22.362 1.00 61.53 H new ATOM 0 HA THR A 86 13.585 8.126 -20.714 1.00 68.56 H new ATOM 0 HB THR A 86 13.271 7.611 -23.270 1.00 77.74 H new ATOM 0 HG1 THR A 86 15.282 7.665 -21.853 1.00165.16 H new ATOM 0 HG21 THR A 86 14.085 9.425 -24.731 1.00224.32 H new ATOM 0 HG22 THR A 86 12.525 9.822 -23.972 1.00224.32 H new ATOM 0 HG23 THR A 86 14.027 10.548 -23.352 1.00224.32 H new ATOM 1471 N ARG A 87 12.198 11.020 -21.368 1.00 72.61 N ATOM 1472 CA ARG A 87 12.213 12.432 -20.992 1.00 82.36 C ATOM 1473 C ARG A 87 12.227 12.560 -19.470 1.00 77.36 C ATOM 1474 O ARG A 87 13.006 13.331 -18.903 1.00 84.58 O ATOM 1475 CB ARG A 87 10.991 13.151 -21.577 1.00 92.09 C ATOM 1476 CG ARG A 87 10.950 14.641 -21.276 1.00178.45 C ATOM 1477 CD ARG A 87 9.800 15.325 -21.995 1.00290.74 C ATOM 1478 NE ARG A 87 9.984 15.324 -23.445 1.00442.12 N ATOM 1479 CZ ARG A 87 9.084 15.798 -24.304 1.00719.49 C ATOM 1480 NH1 ARG A 87 7.943 16.309 -23.856 1.00915.94 N1+ ATOM 1481 NH2 ARG A 87 9.325 15.759 -25.608 1.00999.99 N ATOM 0 H ARG A 87 11.370 10.729 -21.888 1.00 72.61 H new ATOM 0 HA ARG A 87 13.112 12.898 -21.395 1.00 82.36 H new ATOM 0 HB2 ARG A 87 10.981 13.008 -22.658 1.00 92.09 H new ATOM 0 HB3 ARG A 87 10.086 12.686 -21.185 1.00 92.09 H new ATOM 0 HG2 ARG A 87 10.850 14.793 -20.201 1.00178.45 H new ATOM 0 HG3 ARG A 87 11.892 15.100 -21.576 1.00178.45 H new ATOM 0 HD2 ARG A 87 8.866 14.820 -21.748 1.00290.74 H new ATOM 0 HD3 ARG A 87 9.711 16.352 -21.641 1.00290.74 H new ATOM 0 HE ARG A 87 10.851 14.938 -23.820 1.00442.12 H new ATOM 0 HH11 ARG A 87 7.756 16.338 -22.854 1.00915.94 H new ATOM 0 HH12 ARG A 87 7.254 16.672 -24.514 1.00915.94 H new ATOM 0 HH21 ARG A 87 10.200 15.366 -25.953 1.00999.99 H new ATOM 0 HH22 ARG A 87 8.635 16.122 -26.265 1.00999.99 H new ATOM 1495 N LEU A 88 11.357 11.789 -18.820 1.00 69.60 N ATOM 1496 CA LEU A 88 11.267 11.776 -17.364 1.00 69.42 C ATOM 1497 C LEU A 88 12.528 11.167 -16.758 1.00 63.28 C ATOM 1498 O LEU A 88 13.033 11.641 -15.738 1.00 65.18 O ATOM 1499 CB LEU A 88 10.037 10.981 -16.918 1.00 73.41 C ATOM 1500 CG LEU A 88 8.690 11.631 -17.244 1.00 98.67 C ATOM 1501 CD1 LEU A 88 7.552 10.657 -16.978 1.00158.17 C ATOM 1502 CD2 LEU A 88 8.500 12.906 -16.435 1.00124.36 C ATOM 0 H LEU A 88 10.701 11.161 -19.284 1.00 69.60 H new ATOM 0 HA LEU A 88 11.171 12.804 -17.014 1.00 69.42 H new ATOM 0 HB2 LEU A 88 10.071 9.997 -17.386 1.00 73.41 H new ATOM 0 HB3 LEU A 88 10.096 10.824 -15.841 1.00 73.41 H new ATOM 0 HG LEU A 88 8.682 11.892 -18.302 1.00 98.67 H new ATOM 0 HD11 LEU A 88 6.601 11.135 -17.215 1.00158.17 H new ATOM 0 HD12 LEU A 88 7.678 9.771 -17.601 1.00158.17 H new ATOM 0 HD13 LEU A 88 7.560 10.366 -15.928 1.00158.17 H new ATOM 0 HD21 LEU A 88 7.537 13.353 -16.681 1.00124.36 H new ATOM 0 HD22 LEU A 88 8.529 12.670 -15.371 1.00124.36 H new ATOM 0 HD23 LEU A 88 9.298 13.610 -16.672 1.00124.36 H new ATOM 1514 N GLY A 89 13.027 10.110 -17.401 1.00 60.76 N ATOM 1515 CA GLY A 89 14.232 9.439 -16.936 1.00 61.97 C ATOM 1516 C GLY A 89 15.444 10.349 -16.953 1.00 64.68 C ATOM 1517 O GLY A 89 16.262 10.318 -16.032 1.00 65.71 O ATOM 0 H GLY A 89 12.614 9.705 -18.241 1.00 60.76 H new ATOM 0 HA2 GLY A 89 14.072 9.071 -15.923 1.00 61.97 H new ATOM 0 HA3 GLY A 89 14.425 8.569 -17.564 1.00 61.97 H new ATOM 1521 N ALA A 90 15.560 11.158 -18.008 1.00 70.37 N ATOM 1522 CA ALA A 90 16.669 12.098 -18.138 1.00 80.19 C ATOM 1523 C ALA A 90 16.650 13.107 -16.996 1.00 77.58 C ATOM 1524 O ALA A 90 17.693 13.450 -16.443 1.00 81.65 O ATOM 1525 CB ALA A 90 16.607 12.812 -19.479 1.00 95.38 C ATOM 0 H ALA A 90 14.898 11.179 -18.784 1.00 70.37 H new ATOM 0 HA ALA A 90 17.603 11.538 -18.088 1.00 80.19 H new ATOM 0 HB1 ALA A 90 17.441 13.509 -19.559 1.00 95.38 H new ATOM 0 HB2 ALA A 90 16.667 12.080 -20.284 1.00 95.38 H new ATOM 0 HB3 ALA A 90 15.668 13.360 -19.556 1.00 95.38 H new ATOM 1531 N GLU A 91 15.451 13.577 -16.650 1.00 75.77 N ATOM 1532 CA GLU A 91 15.279 14.533 -15.560 1.00 80.24 C ATOM 1533 C GLU A 91 15.728 13.923 -14.235 1.00 71.29 C ATOM 1534 O GLU A 91 16.346 14.593 -13.408 1.00 75.09 O ATOM 1535 CB GLU A 91 13.816 14.973 -15.465 1.00 90.01 C ATOM 1536 CG GLU A 91 13.368 15.855 -16.623 1.00140.26 C ATOM 1537 CD GLU A 91 11.873 16.109 -16.622 1.00229.56 C ATOM 1538 OE1 GLU A 91 11.145 15.377 -15.922 1.00365.35 O ATOM 1539 OE2 GLU A 91 11.433 17.044 -17.323 1.00381.14 O1- ATOM 0 H GLU A 91 14.582 13.309 -17.112 1.00 75.77 H new ATOM 0 HA GLU A 91 15.898 15.406 -15.769 1.00 80.24 H new ATOM 0 HB2 GLU A 91 13.181 14.088 -15.427 1.00 90.01 H new ATOM 0 HB3 GLU A 91 13.668 15.513 -14.530 1.00 90.01 H new ATOM 0 HG2 GLU A 91 13.894 16.808 -16.573 1.00140.26 H new ATOM 0 HG3 GLU A 91 13.652 15.384 -17.564 1.00140.26 H new ATOM 1546 N ILE A 92 15.402 12.645 -14.041 1.00 64.55 N ATOM 1547 CA ILE A 92 15.787 11.921 -12.833 1.00 63.22 C ATOM 1548 C ILE A 92 17.309 11.822 -12.734 1.00 60.78 C ATOM 1549 O ILE A 92 17.890 12.035 -11.670 1.00 63.24 O ATOM 1550 CB ILE A 92 15.171 10.498 -12.810 1.00 67.09 C ATOM 1551 CG1 ILE A 92 13.641 10.577 -12.716 1.00 78.70 C ATOM 1552 CG2 ILE A 92 15.733 9.677 -11.653 1.00 74.04 C ATOM 1553 CD1 ILE A 92 13.136 11.276 -11.471 1.00182.12 C ATOM 0 H ILE A 92 14.869 12.089 -14.710 1.00 64.55 H new ATOM 0 HA ILE A 92 15.404 12.477 -11.978 1.00 63.22 H new ATOM 0 HB ILE A 92 15.439 9.999 -13.741 1.00 67.09 H new ATOM 0 HG12 ILE A 92 13.260 11.099 -13.593 1.00 78.70 H new ATOM 0 HG13 ILE A 92 13.233 9.567 -12.744 1.00 78.70 H new ATOM 0 HG21 ILE A 92 15.284 8.684 -11.660 1.00 74.04 H new ATOM 0 HG22 ILE A 92 16.814 9.588 -11.761 1.00 74.04 H new ATOM 0 HG23 ILE A 92 15.503 10.172 -10.710 1.00 74.04 H new ATOM 0 HD11 ILE A 92 12.046 11.291 -11.479 1.00182.12 H new ATOM 0 HD12 ILE A 92 13.485 10.742 -10.587 1.00182.12 H new ATOM 0 HD13 ILE A 92 13.513 12.299 -11.450 1.00182.12 H new ATOM 1565 N GLY A 93 17.946 11.510 -13.862 1.00 61.35 N ATOM 1566 CA GLY A 93 19.394 11.380 -13.910 1.00 68.83 C ATOM 1567 C GLY A 93 20.132 12.682 -13.637 1.00 77.90 C ATOM 1568 O GLY A 93 21.309 12.664 -13.281 1.00 88.80 O ATOM 0 H GLY A 93 17.478 11.343 -14.753 1.00 61.35 H new ATOM 0 HA2 GLY A 93 19.708 10.634 -13.180 1.00 68.83 H new ATOM 0 HA3 GLY A 93 19.685 11.006 -14.892 1.00 68.83 H new ATOM 1572 N ARG A 94 19.447 13.812 -13.810 1.00 81.77 N ATOM 1573 CA ARG A 94 20.061 15.118 -13.577 1.00 96.44 C ATOM 1574 C ARG A 94 20.101 15.457 -12.088 1.00 95.13 C ATOM 1575 O ARG A 94 20.832 16.354 -11.669 1.00109.35 O ATOM 1576 CB ARG A 94 19.303 16.214 -14.334 1.00113.12 C ATOM 1577 CG ARG A 94 19.342 16.059 -15.848 1.00154.95 C ATOM 1578 CD ARG A 94 20.742 16.279 -16.400 1.00291.47 C ATOM 1579 NE ARG A 94 20.763 16.261 -17.861 1.00415.93 N ATOM 1580 CZ ARG A 94 21.870 16.402 -18.584 1.00711.23 C ATOM 1581 NH1 ARG A 94 23.039 16.573 -17.983 1.00998.79 N1+ ATOM 1582 NH2 ARG A 94 21.804 16.374 -19.909 1.00999.99 N ATOM 0 H ARG A 94 18.472 13.850 -14.109 1.00 81.77 H new ATOM 0 HA ARG A 94 21.085 15.068 -13.947 1.00 96.44 H new ATOM 0 HB2 ARG A 94 18.264 16.216 -14.006 1.00113.12 H new ATOM 0 HB3 ARG A 94 19.724 17.183 -14.067 1.00113.12 H new ATOM 0 HG2 ARG A 94 18.996 15.062 -16.121 1.00154.95 H new ATOM 0 HG3 ARG A 94 18.655 16.771 -16.305 1.00154.95 H new ATOM 0 HD2 ARG A 94 21.126 17.235 -16.044 1.00291.47 H new ATOM 0 HD3 ARG A 94 21.408 15.505 -16.018 1.00291.47 H new ATOM 0 HE ARG A 94 19.879 16.133 -18.354 1.00415.93 H new ATOM 0 HH11 ARG A 94 23.090 16.597 -16.965 1.00998.79 H new ATOM 0 HH12 ARG A 94 23.887 16.681 -18.539 1.00998.79 H new ATOM 0 HH21 ARG A 94 20.905 16.244 -20.372 1.00999.99 H new ATOM 0 HH22 ARG A 94 22.653 16.482 -20.464 1.00999.99 H new ATOM 1596 N ARG A 95 19.317 14.737 -11.289 1.00 86.45 N ATOM 1597 CA ARG A 95 19.287 14.969 -9.850 1.00 93.68 C ATOM 1598 C ARG A 95 19.986 13.827 -9.123 1.00 94.67 C ATOM 1599 O ARG A 95 19.493 12.700 -9.099 1.00 97.42 O ATOM 1600 CB ARG A 95 17.843 15.098 -9.355 1.00107.44 C ATOM 1601 CG ARG A 95 17.043 16.189 -10.052 1.00307.61 C ATOM 1602 CD ARG A 95 17.631 17.570 -9.798 1.00350.05 C ATOM 1603 NE ARG A 95 17.557 17.946 -8.387 1.00605.90 N ATOM 1604 CZ ARG A 95 18.138 19.029 -7.880 1.00806.78 C ATOM 1605 NH1 ARG A 95 18.838 19.837 -8.666 1.00845.08 N1+ ATOM 1606 NH2 ARG A 95 18.021 19.303 -6.587 1.00999.99 N ATOM 0 H ARG A 95 18.698 13.993 -11.612 1.00 86.45 H new ATOM 0 HA ARG A 95 19.811 15.901 -9.639 1.00 93.68 H new ATOM 0 HB2 ARG A 95 17.335 14.144 -9.496 1.00107.44 H new ATOM 0 HB3 ARG A 95 17.854 15.298 -8.284 1.00107.44 H new ATOM 0 HG2 ARG A 95 17.021 15.995 -11.124 1.00307.61 H new ATOM 0 HG3 ARG A 95 16.011 16.163 -9.702 1.00307.61 H new ATOM 0 HD2 ARG A 95 18.671 17.587 -10.123 1.00350.05 H new ATOM 0 HD3 ARG A 95 17.097 18.307 -10.398 1.00350.05 H new ATOM 0 HE ARG A 95 17.030 17.343 -7.756 1.00605.90 H new ATOM 0 HH11 ARG A 95 18.931 19.627 -9.660 1.00845.08 H new ATOM 0 HH12 ARG A 95 19.283 20.668 -8.276 1.00845.08 H new ATOM 0 HH21 ARG A 95 17.485 18.682 -5.981 1.00999.99 H new ATOM 0 HH22 ARG A 95 18.467 20.134 -6.199 1.00999.99 H new ATOM 1620 N ILE A 96 21.133 14.123 -8.523 1.00103.97 N ATOM 1621 CA ILE A 96 21.895 13.108 -7.807 1.00120.62 C ATOM 1622 C ILE A 96 22.167 13.566 -6.376 1.00135.23 C ATOM 1623 O ILE A 96 22.712 14.648 -6.160 1.00215.76 O ATOM 1624 CB ILE A 96 23.242 12.824 -8.513 1.00134.64 C ATOM 1625 CG1 ILE A 96 23.008 12.433 -9.973 1.00237.82 C ATOM 1626 CG2 ILE A 96 23.992 11.707 -7.797 1.00205.25 C ATOM 1627 CD1 ILE A 96 24.277 12.382 -10.797 1.00308.67 C ATOM 0 H ILE A 96 21.554 15.052 -8.518 1.00103.97 H new ATOM 0 HA ILE A 96 21.303 12.193 -7.795 1.00120.62 H new ATOM 0 HB ILE A 96 23.842 13.733 -8.481 1.00134.64 H new ATOM 0 HG12 ILE A 96 22.524 11.457 -10.006 1.00237.82 H new ATOM 0 HG13 ILE A 96 22.319 13.146 -10.426 1.00237.82 H new ATOM 0 HG21 ILE A 96 24.937 11.519 -8.306 1.00205.25 H new ATOM 0 HG22 ILE A 96 24.187 12.002 -6.766 1.00205.25 H new ATOM 0 HG23 ILE A 96 23.388 10.799 -7.806 1.00205.25 H new ATOM 0 HD11 ILE A 96 24.035 12.098 -11.821 1.00308.67 H new ATOM 0 HD12 ILE A 96 24.752 13.363 -10.795 1.00308.67 H new ATOM 0 HD13 ILE A 96 24.960 11.648 -10.369 1.00308.67 H new ATOM 1639 N ASP A 97 21.787 12.748 -5.400 1.00125.34 N ATOM 1640 CA ASP A 97 22.009 13.089 -4.000 1.00140.49 C ATOM 1641 C ASP A 97 22.500 11.876 -3.216 1.00116.54 C ATOM 1642 O ASP A 97 21.779 11.325 -2.383 1.00143.24 O ATOM 1643 CB ASP A 97 20.725 13.640 -3.374 1.00195.56 C ATOM 1644 CG ASP A 97 20.990 14.436 -2.109 1.00284.16 C ATOM 1645 OD1 ASP A 97 22.173 14.579 -1.732 1.00384.26 O ATOM 1646 OD2 ASP A 97 20.014 14.917 -1.497 1.00388.05 O1- ATOM 0 H ASP A 97 21.327 11.850 -5.551 1.00125.34 H new ATOM 0 HA ASP A 97 22.779 13.859 -3.957 1.00140.49 H new ATOM 0 HB2 ASP A 97 20.215 14.275 -4.099 1.00195.56 H new ATOM 0 HB3 ASP A 97 20.053 12.813 -3.145 1.00195.56 H new ATOM 1651 N MET A 98 23.737 11.469 -3.490 1.00 92.56 N ATOM 1652 CA MET A 98 24.348 10.327 -2.814 1.00 86.33 C ATOM 1653 C MET A 98 24.642 10.657 -1.352 1.00 94.07 C ATOM 1654 O MET A 98 24.649 9.776 -0.490 1.00108.97 O ATOM 1655 CB MET A 98 25.635 9.907 -3.529 1.00 76.26 C ATOM 1656 CG MET A 98 25.396 9.360 -4.928 1.00134.16 C ATOM 1657 SD MET A 98 24.348 7.894 -4.931 1.00192.83 S ATOM 1658 CE MET A 98 24.149 7.622 -6.689 1.00360.57 C ATOM 0 H MET A 98 24.340 11.917 -4.180 1.00 92.56 H new ATOM 0 HA MET A 98 23.642 9.497 -2.846 1.00 86.33 H new ATOM 0 HB2 MET A 98 26.304 10.765 -3.592 1.00 76.26 H new ATOM 0 HB3 MET A 98 26.143 9.149 -2.932 1.00 76.26 H new ATOM 0 HG2 MET A 98 24.934 10.133 -5.542 1.00134.16 H new ATOM 0 HG3 MET A 98 26.354 9.118 -5.388 1.00134.16 H new ATOM 0 HE1 MET A 98 23.913 6.574 -6.870 1.00360.57 H new ATOM 0 HE2 MET A 98 23.339 8.247 -7.064 1.00360.57 H new ATOM 0 HE3 MET A 98 25.074 7.880 -7.204 1.00360.57 H new ATOM 1668 N ALA A 99 24.888 11.941 -1.091 1.00100.18 N ATOM 1669 CA ALA A 99 25.182 12.427 0.253 1.00127.82 C ATOM 1670 C ALA A 99 24.024 12.154 1.210 1.00152.91 C ATOM 1671 O ALA A 99 24.238 11.844 2.383 1.00184.23 O ATOM 1672 CB ALA A 99 25.498 13.916 0.218 1.00148.64 C ATOM 0 H ALA A 99 24.889 12.670 -1.805 1.00100.18 H new ATOM 0 HA ALA A 99 26.054 11.887 0.621 1.00127.82 H new ATOM 0 HB1 ALA A 99 25.715 14.266 1.227 1.00148.64 H new ATOM 0 HB2 ALA A 99 26.364 14.089 -0.421 1.00148.64 H new ATOM 0 HB3 ALA A 99 24.641 14.461 -0.178 1.00148.64 H new ATOM 1678 N TYR A 100 22.798 12.279 0.699 1.00156.72 N ATOM 1679 CA TYR A 100 21.594 12.055 1.498 1.00204.64 C ATOM 1680 C TYR A 100 21.576 10.642 2.080 1.00199.88 C ATOM 1681 O TYR A 100 21.305 10.462 3.266 1.00224.93 O ATOM 1682 CB TYR A 100 20.339 12.294 0.647 1.00239.39 C ATOM 1683 CG TYR A 100 19.036 12.099 1.395 1.00453.50 C ATOM 1684 CD1 TYR A 100 18.568 13.069 2.272 1.00583.16 C ATOM 1685 CD2 TYR A 100 18.272 10.950 1.220 1.00853.43 C ATOM 1686 CE1 TYR A 100 17.378 12.902 2.954 1.00999.99 C ATOM 1687 CE2 TYR A 100 17.081 10.775 1.899 1.00999.99 C ATOM 1688 CZ TYR A 100 16.639 11.754 2.764 1.00999.99 C ATOM 1689 OH TYR A 100 15.453 11.585 3.440 1.00999.99 O ATOM 0 H TYR A 100 22.613 12.536 -0.271 1.00156.72 H new ATOM 0 HA TYR A 100 21.601 12.763 2.326 1.00204.64 H new ATOM 0 HB2 TYR A 100 20.370 13.309 0.251 1.00239.39 H new ATOM 0 HB3 TYR A 100 20.359 11.618 -0.208 1.00239.39 H new ATOM 0 HD1 TYR A 100 19.144 13.970 2.424 1.00583.16 H new ATOM 0 HD2 TYR A 100 18.615 10.182 0.542 1.00853.43 H new ATOM 0 HE1 TYR A 100 17.029 13.667 3.632 1.00999.99 H new ATOM 0 HE2 TYR A 100 16.500 9.877 1.753 1.00999.99 H new ATOM 0 HH TYR A 100 15.056 10.724 3.193 1.00999.99 H new ATOM 1699 N PHE A 101 21.866 9.645 1.240 1.00177.77 N ATOM 1700 CA PHE A 101 21.894 8.247 1.673 1.00182.30 C ATOM 1701 C PHE A 101 22.900 8.052 2.808 1.00180.18 C ATOM 1702 O PHE A 101 22.587 7.437 3.830 1.00202.85 O ATOM 1703 CB PHE A 101 22.257 7.345 0.483 1.00169.69 C ATOM 1704 CG PHE A 101 22.358 5.879 0.816 1.00212.19 C ATOM 1705 CD1 PHE A 101 21.220 5.091 0.884 1.00237.60 C ATOM 1706 CD2 PHE A 101 23.590 5.291 1.059 1.00301.02 C ATOM 1707 CE1 PHE A 101 21.309 3.745 1.188 1.00297.03 C ATOM 1708 CE2 PHE A 101 23.683 3.946 1.363 1.00374.13 C ATOM 1709 CZ PHE A 101 22.541 3.173 1.429 1.00345.20 C ATOM 0 H PHE A 101 22.085 9.782 0.253 1.00177.77 H new ATOM 0 HA PHE A 101 20.906 7.975 2.043 1.00182.30 H new ATOM 0 HB2 PHE A 101 21.508 7.476 -0.298 1.00169.69 H new ATOM 0 HB3 PHE A 101 23.209 7.677 0.069 1.00169.69 H new ATOM 0 HD1 PHE A 101 20.253 5.533 0.697 1.00237.60 H new ATOM 0 HD2 PHE A 101 24.487 5.891 1.010 1.00301.02 H new ATOM 0 HE1 PHE A 101 20.414 3.142 1.237 1.00297.03 H new ATOM 0 HE2 PHE A 101 24.649 3.500 1.549 1.00374.13 H new ATOM 0 HZ PHE A 101 22.612 2.122 1.669 1.00345.20 H new ATOM 1719 N TYR A 102 24.106 8.582 2.616 1.00164.80 N ATOM 1720 CA TYR A 102 25.167 8.484 3.618 1.00173.79 C ATOM 1721 C TYR A 102 24.748 9.156 4.928 1.00200.84 C ATOM 1722 O TYR A 102 24.897 8.582 6.008 1.00227.37 O ATOM 1723 CB TYR A 102 26.454 9.117 3.076 1.00171.66 C ATOM 1724 CG TYR A 102 27.612 9.109 4.052 1.00220.86 C ATOM 1725 CD1 TYR A 102 28.279 7.929 4.357 1.00393.52 C ATOM 1726 CD2 TYR A 102 28.045 10.283 4.657 1.00371.04 C ATOM 1727 CE1 TYR A 102 29.343 7.919 5.238 1.00693.62 C ATOM 1728 CE2 TYR A 102 29.108 10.279 5.540 1.00656.65 C ATOM 1729 CZ TYR A 102 29.754 9.096 5.827 1.00806.00 C ATOM 1730 OH TYR A 102 30.812 9.090 6.705 1.00999.99 O ATOM 0 H TYR A 102 24.374 9.087 1.771 1.00164.80 H new ATOM 0 HA TYR A 102 25.350 7.430 3.828 1.00173.79 H new ATOM 0 HB2 TYR A 102 26.753 8.587 2.172 1.00171.66 H new ATOM 0 HB3 TYR A 102 26.245 10.147 2.787 1.00171.66 H new ATOM 0 HD1 TYR A 102 27.961 7.005 3.898 1.00393.52 H new ATOM 0 HD2 TYR A 102 27.543 11.213 4.434 1.00371.04 H new ATOM 0 HE1 TYR A 102 29.851 6.993 5.464 1.00693.62 H new ATOM 0 HE2 TYR A 102 29.431 11.199 6.003 1.00656.65 H new ATOM 0 HH TYR A 102 30.973 10.001 7.029 1.00999.99 H new ATOM 1740 N ASP A 103 24.221 10.377 4.818 1.00204.76 N ATOM 1741 CA ASP A 103 23.775 11.140 5.986 1.00242.28 C ATOM 1742 C ASP A 103 22.639 10.429 6.723 1.00266.98 C ATOM 1743 O ASP A 103 22.589 10.439 7.953 1.00300.46 O ATOM 1744 CB ASP A 103 23.319 12.544 5.575 1.00257.95 C ATOM 1745 CG ASP A 103 24.476 13.447 5.188 1.00399.17 C ATOM 1746 OD1 ASP A 103 25.637 13.088 5.476 1.00558.87 O ATOM 1747 OD2 ASP A 103 24.219 14.518 4.598 1.00540.69 O1- ATOM 0 H ASP A 103 24.092 10.860 3.929 1.00204.76 H new ATOM 0 HA ASP A 103 24.627 11.221 6.662 1.00242.28 H new ATOM 0 HB2 ASP A 103 22.628 12.466 4.735 1.00257.95 H new ATOM 0 HB3 ASP A 103 22.769 12.998 6.399 1.00257.95 H new ATOM 1752 N ALA A 104 21.726 9.824 5.962 1.00260.90 N ATOM 1753 CA ALA A 104 20.594 9.104 6.542 1.00294.90 C ATOM 1754 C ALA A 104 21.064 7.938 7.406 1.00294.01 C ATOM 1755 O ALA A 104 20.506 7.685 8.476 1.00332.85 O ATOM 1756 CB ALA A 104 19.663 8.607 5.446 1.00298.30 C ATOM 0 H ALA A 104 21.749 9.819 4.942 1.00260.90 H new ATOM 0 HA ALA A 104 20.048 9.798 7.181 1.00294.90 H new ATOM 0 HB1 ALA A 104 18.825 8.073 5.895 1.00298.30 H new ATOM 0 HB2 ALA A 104 19.288 9.456 4.875 1.00298.30 H new ATOM 0 HB3 ALA A 104 20.208 7.935 4.783 1.00298.30 H new ATOM 1762 N LEU A 105 22.090 7.230 6.935 1.00259.78 N ATOM 1763 CA LEU A 105 22.643 6.096 7.672 1.00264.87 C ATOM 1764 C LEU A 105 23.230 6.554 9.004 1.00279.27 C ATOM 1765 O LEU A 105 23.071 5.885 10.025 1.00303.74 O ATOM 1766 CB LEU A 105 23.726 5.397 6.849 1.00241.53 C ATOM 1767 CG LEU A 105 23.226 4.646 5.613 1.00307.19 C ATOM 1768 CD1 LEU A 105 24.400 4.179 4.769 1.00385.85 C ATOM 1769 CD2 LEU A 105 22.354 3.467 6.017 1.00472.21 C ATOM 0 H LEU A 105 22.554 7.422 6.047 1.00259.78 H new ATOM 0 HA LEU A 105 21.832 5.393 7.865 1.00264.87 H new ATOM 0 HB2 LEU A 105 24.455 6.142 6.531 1.00241.53 H new ATOM 0 HB3 LEU A 105 24.251 4.693 7.494 1.00241.53 H new ATOM 0 HG LEU A 105 22.620 5.328 5.016 1.00307.19 H new ATOM 0 HD11 LEU A 105 24.029 3.646 3.893 1.00385.85 H new ATOM 0 HD12 LEU A 105 24.984 5.042 4.449 1.00385.85 H new ATOM 0 HD13 LEU A 105 25.030 3.513 5.359 1.00385.85 H new ATOM 0 HD21 LEU A 105 22.009 2.947 5.124 1.00472.21 H new ATOM 0 HD22 LEU A 105 22.933 2.781 6.635 1.00472.21 H new ATOM 0 HD23 LEU A 105 21.494 3.827 6.582 1.00472.21 H new ATOM 1781 N LYS A 106 23.914 7.699 8.979 1.00273.60 N ATOM 1782 CA LYS A 106 24.516 8.266 10.184 1.00299.72 C ATOM 1783 C LYS A 106 23.443 8.662 11.194 1.00347.63 C ATOM 1784 O LYS A 106 23.606 8.464 12.395 1.00382.37 O ATOM 1785 CB LYS A 106 25.368 9.486 9.830 1.00300.16 C ATOM 1786 CG LYS A 106 26.642 9.147 9.072 1.00356.49 C ATOM 1787 CD LYS A 106 27.393 10.401 8.647 1.00366.69 C ATOM 1788 CE LYS A 106 28.005 11.122 9.838 1.00569.73 C ATOM 1789 NZ LYS A 106 29.076 10.315 10.487 1.00821.44 N1+ ATOM 0 H LYS A 106 24.064 8.252 8.135 1.00273.60 H new ATOM 0 HA LYS A 106 25.152 7.503 10.633 1.00299.72 H new ATOM 0 HB2 LYS A 106 24.771 10.172 9.229 1.00300.16 H new ATOM 0 HB3 LYS A 106 25.632 10.012 10.748 1.00300.16 H new ATOM 0 HG2 LYS A 106 27.287 8.532 9.700 1.00356.49 H new ATOM 0 HG3 LYS A 106 26.395 8.554 8.191 1.00356.49 H new ATOM 0 HD2 LYS A 106 28.179 10.133 7.941 1.00366.69 H new ATOM 0 HD3 LYS A 106 26.712 11.074 8.125 1.00366.69 H new ATOM 0 HE2 LYS A 106 28.418 12.077 9.511 1.00569.73 H new ATOM 0 HE3 LYS A 106 27.226 11.344 10.567 1.00569.73 H new ATOM 0 HZ1 LYS A 106 29.635 10.924 11.119 1.00821.44 H new ATOM 0 HZ2 LYS A 106 28.645 9.546 11.039 1.00821.44 H new ATOM 0 HZ3 LYS A 106 29.697 9.911 9.757 1.00821.44 H new ATOM 1803 N ASP A 107 22.347 9.230 10.687 1.00359.01 N ATOM 1804 CA ASP A 107 21.226 9.660 11.527 1.00416.94 C ATOM 1805 C ASP A 107 20.652 8.497 12.334 1.00439.86 C ATOM 1806 O ASP A 107 20.349 8.639 13.518 1.00493.04 O ATOM 1807 CB ASP A 107 20.127 10.288 10.667 1.00429.68 C ATOM 1808 CG ASP A 107 18.979 10.827 11.496 1.00566.91 C ATOM 1809 OD1 ASP A 107 19.193 11.805 12.242 1.00638.90 O ATOM 1810 OD2 ASP A 107 17.863 10.275 11.394 1.00746.24 O1- ATOM 0 H ASP A 107 22.211 9.404 9.691 1.00359.01 H new ATOM 0 HA ASP A 107 21.606 10.404 12.228 1.00416.94 H new ATOM 0 HB2 ASP A 107 20.553 11.096 10.072 1.00429.68 H new ATOM 0 HB3 ASP A 107 19.748 9.543 9.967 1.00429.68 H new ATOM 1815 N LYS A 108 20.495 7.349 11.681 1.00410.03 N ATOM 1816 CA LYS A 108 19.952 6.161 12.334 1.00437.60 C ATOM 1817 C LYS A 108 21.049 5.349 13.019 1.00427.09 C ATOM 1818 O LYS A 108 20.762 4.386 13.732 1.00453.93 O ATOM 1819 CB LYS A 108 19.221 5.286 11.314 1.00433.31 C ATOM 1820 CG LYS A 108 17.999 5.951 10.699 1.00459.99 C ATOM 1821 CD LYS A 108 17.386 5.096 9.598 1.00625.88 C ATOM 1822 CE LYS A 108 16.754 3.829 10.156 1.00809.13 C ATOM 1823 NZ LYS A 108 16.076 3.032 9.098 1.00999.99 N1+ ATOM 0 H LYS A 108 20.736 7.216 10.699 1.00410.03 H new ATOM 0 HA LYS A 108 19.249 6.494 13.098 1.00437.60 H new ATOM 0 HB2 LYS A 108 19.915 5.015 10.518 1.00433.31 H new ATOM 0 HB3 LYS A 108 18.914 4.359 11.798 1.00433.31 H new ATOM 0 HG2 LYS A 108 17.255 6.134 11.475 1.00459.99 H new ATOM 0 HG3 LYS A 108 18.280 6.922 10.292 1.00459.99 H new ATOM 0 HD2 LYS A 108 16.632 5.675 9.065 1.00625.88 H new ATOM 0 HD3 LYS A 108 18.155 4.830 8.873 1.00625.88 H new ATOM 0 HE2 LYS A 108 17.522 3.220 10.632 1.00809.13 H new ATOM 0 HE3 LYS A 108 16.032 4.094 10.929 1.00809.13 H new ATOM 0 HZ1 LYS A 108 15.659 2.178 9.520 1.00999.99 H new ATOM 0 HZ2 LYS A 108 15.325 3.603 8.660 1.00999.99 H new ATOM 0 HZ3 LYS A 108 16.769 2.757 8.373 1.00999.99 H new ATOM 1837 N ASN A 109 22.305 5.753 12.799 1.00397.86 N ATOM 1838 CA ASN A 109 23.474 5.074 13.371 1.00395.56 C ATOM 1839 C ASN A 109 23.501 3.595 12.987 1.00379.75 C ATOM 1840 O ASN A 109 23.895 2.743 13.784 1.00398.92 O ATOM 1841 CB ASN A 109 23.497 5.216 14.899 1.00454.81 C ATOM 1842 CG ASN A 109 23.681 6.653 15.352 1.00493.28 C ATOM 1843 OD1 ASN A 109 24.785 7.193 15.300 1.00466.98 O ATOM 1844 ND2 ASN A 109 22.601 7.278 15.803 1.00675.44 N ATOM 0 H ASN A 109 22.540 6.559 12.220 1.00397.86 H new ATOM 0 HA ASN A 109 24.362 5.554 12.959 1.00395.56 H new ATOM 0 HB2 ASN A 109 22.566 4.826 15.310 1.00454.81 H new ATOM 0 HB3 ASN A 109 24.304 4.606 15.304 1.00454.81 H new ATOM 0 HD21 ASN A 109 22.667 8.244 16.124 1.00675.44 H new ATOM 0 HD22 ASN A 109 21.704 6.793 15.829 1.00675.44 H new ATOM 1851 N MET A 110 23.089 3.296 11.759 1.00357.57 N ATOM 1852 CA MET A 110 23.065 1.920 11.284 1.00356.11 C ATOM 1853 C MET A 110 24.016 1.723 10.106 1.00317.66 C ATOM 1854 O MET A 110 23.849 2.332 9.048 1.00347.18 O ATOM 1855 CB MET A 110 21.639 1.529 10.878 1.00376.47 C ATOM 1856 CG MET A 110 21.509 0.092 10.390 1.00500.58 C ATOM 1857 SD MET A 110 19.818 -0.331 9.932 1.00891.58 S ATOM 1858 CE MET A 110 19.633 0.602 8.414 1.00999.99 C ATOM 0 H MET A 110 22.769 3.985 11.079 1.00357.57 H new ATOM 0 HA MET A 110 23.398 1.277 12.098 1.00356.11 H new ATOM 0 HB2 MET A 110 20.976 1.674 11.731 1.00376.47 H new ATOM 0 HB3 MET A 110 21.298 2.202 10.091 1.00376.47 H new ATOM 0 HG2 MET A 110 22.163 -0.057 9.531 1.00500.58 H new ATOM 0 HG3 MET A 110 21.851 -0.586 11.172 1.00500.58 H new ATOM 0 HE1 MET A 110 18.746 0.258 7.881 1.00999.99 H new ATOM 0 HE2 MET A 110 19.527 1.661 8.649 1.00999.99 H new ATOM 0 HE3 MET A 110 20.513 0.455 7.787 1.00999.99 H new ATOM 1868 N ILE A 111 25.018 0.873 10.301 1.00267.60 N ATOM 1869 CA ILE A 111 25.987 0.579 9.254 1.00237.97 C ATOM 1870 C ILE A 111 25.572 -0.679 8.487 1.00208.35 C ATOM 1871 O ILE A 111 25.442 -1.751 9.082 1.00195.51 O ATOM 1872 CB ILE A 111 27.404 0.381 9.840 1.00229.14 C ATOM 1873 CG1 ILE A 111 27.839 1.635 10.606 1.00282.61 C ATOM 1874 CG2 ILE A 111 28.407 0.061 8.735 1.00210.79 C ATOM 1875 CD1 ILE A 111 29.093 1.436 11.434 1.00390.38 C ATOM 0 H ILE A 111 25.180 0.375 11.176 1.00267.60 H new ATOM 0 HA ILE A 111 26.010 1.431 8.574 1.00237.97 H new ATOM 0 HB ILE A 111 27.376 -0.462 10.530 1.00229.14 H new ATOM 0 HG12 ILE A 111 28.007 2.444 9.896 1.00282.61 H new ATOM 0 HG13 ILE A 111 27.027 1.950 11.261 1.00282.61 H new ATOM 0 HG21 ILE A 111 29.397 -0.074 9.170 1.00210.79 H new ATOM 0 HG22 ILE A 111 28.107 -0.854 8.225 1.00210.79 H new ATOM 0 HG23 ILE A 111 28.434 0.883 8.019 1.00210.79 H new ATOM 0 HD11 ILE A 111 29.341 2.365 11.948 1.00390.38 H new ATOM 0 HD12 ILE A 111 28.923 0.649 12.169 1.00390.38 H new ATOM 0 HD13 ILE A 111 29.918 1.151 10.782 1.00390.38 H new ATOM 1887 N PRO A 112 25.335 -0.563 7.164 1.00213.02 N ATOM 1888 CA PRO A 112 24.942 -1.710 6.326 1.00205.62 C ATOM 1889 C PRO A 112 25.983 -2.829 6.348 1.00166.01 C ATOM 1890 O PRO A 112 27.186 -2.570 6.299 1.00157.37 O ATOM 1891 CB PRO A 112 24.846 -1.104 4.921 1.00242.33 C ATOM 1892 CG PRO A 112 24.609 0.347 5.155 1.00241.94 C ATOM 1893 CD PRO A 112 25.404 0.686 6.382 1.00243.11 C ATOM 0 HA PRO A 112 24.018 -2.171 6.674 1.00205.62 H new ATOM 0 HB2 PRO A 112 25.762 -1.270 4.354 1.00242.33 H new ATOM 0 HB3 PRO A 112 24.032 -1.552 4.350 1.00242.33 H new ATOM 0 HG2 PRO A 112 24.933 0.941 4.300 1.00241.94 H new ATOM 0 HG3 PRO A 112 23.549 0.553 5.304 1.00241.94 H new ATOM 0 HD2 PRO A 112 26.432 0.955 6.138 1.00243.11 H new ATOM 0 HD3 PRO A 112 24.974 1.528 6.924 1.00243.11 H new ATOM 1901 N LYS A 113 25.515 -4.070 6.414 1.00158.33 N ATOM 1902 CA LYS A 113 26.414 -5.217 6.442 1.00137.17 C ATOM 1903 C LYS A 113 26.804 -5.640 5.028 1.00131.14 C ATOM 1904 O LYS A 113 25.945 -5.981 4.214 1.00143.93 O ATOM 1905 CB LYS A 113 25.757 -6.391 7.172 1.00150.89 C ATOM 1906 CG LYS A 113 25.523 -6.135 8.655 1.00177.84 C ATOM 1907 CD LYS A 113 24.751 -7.273 9.308 1.00242.64 C ATOM 1908 CE LYS A 113 25.580 -8.546 9.380 1.00406.97 C ATOM 1909 NZ LYS A 113 24.859 -9.639 10.089 1.00618.10 N1+ ATOM 0 H LYS A 113 24.523 -4.307 6.449 1.00158.33 H new ATOM 0 HA LYS A 113 27.317 -4.923 6.977 1.00137.17 H new ATOM 0 HB2 LYS A 113 24.802 -6.615 6.696 1.00150.89 H new ATOM 0 HB3 LYS A 113 26.385 -7.275 7.059 1.00150.89 H new ATOM 0 HG2 LYS A 113 26.482 -6.010 9.158 1.00177.84 H new ATOM 0 HG3 LYS A 113 24.973 -5.203 8.781 1.00177.84 H new ATOM 0 HD2 LYS A 113 24.449 -6.978 10.313 1.00242.64 H new ATOM 0 HD3 LYS A 113 23.838 -7.464 8.744 1.00242.64 H new ATOM 0 HE2 LYS A 113 25.832 -8.872 8.371 1.00406.97 H new ATOM 0 HE3 LYS A 113 26.520 -8.339 9.892 1.00406.97 H new ATOM 0 HZ1 LYS A 113 25.458 -10.489 10.117 1.00618.10 H new ATOM 0 HZ2 LYS A 113 24.640 -9.338 11.060 1.00618.10 H new ATOM 0 HZ3 LYS A 113 23.975 -9.855 9.586 1.00618.10 H new ATOM 1923 N TYR A 114 28.103 -5.594 4.741 1.00131.35 N ATOM 1924 CA TYR A 114 28.626 -5.983 3.440 1.00145.33 C ATOM 1925 C TYR A 114 28.506 -7.495 3.243 1.00168.40 C ATOM 1926 O TYR A 114 29.415 -8.250 3.589 1.00230.26 O ATOM 1927 CB TYR A 114 30.085 -5.542 3.319 1.00181.27 C ATOM 1928 CG TYR A 114 30.343 -4.161 3.882 1.00500.22 C ATOM 1929 CD1 TYR A 114 31.158 -3.985 4.993 1.00731.83 C ATOM 1930 CD2 TYR A 114 29.759 -3.035 3.314 1.00947.01 C ATOM 1931 CE1 TYR A 114 31.385 -2.729 5.522 1.00999.99 C ATOM 1932 CE2 TYR A 114 29.982 -1.775 3.836 1.00999.99 C ATOM 1933 CZ TYR A 114 30.794 -1.628 4.940 1.00999.99 C ATOM 1934 OH TYR A 114 31.016 -0.376 5.464 1.00999.99 O ATOM 0 H TYR A 114 28.817 -5.287 5.402 1.00131.35 H new ATOM 0 HA TYR A 114 28.041 -5.492 2.662 1.00145.33 H new ATOM 0 HB2 TYR A 114 30.719 -6.262 3.837 1.00181.27 H new ATOM 0 HB3 TYR A 114 30.376 -5.559 2.269 1.00181.27 H new ATOM 0 HD1 TYR A 114 31.623 -4.845 5.452 1.00731.83 H new ATOM 0 HD2 TYR A 114 29.120 -3.147 2.450 1.00947.01 H new ATOM 0 HE1 TYR A 114 32.022 -2.611 6.386 1.00999.99 H new ATOM 0 HE2 TYR A 114 29.522 -0.910 3.381 1.00999.99 H new ATOM 0 HH TYR A 114 30.528 0.291 4.937 1.00999.99 H new ATOM 1944 N LEU A 115 27.380 -7.934 2.692 1.00153.63 N ATOM 1945 CA LEU A 115 27.139 -9.357 2.477 1.00200.29 C ATOM 1946 C LEU A 115 27.459 -9.782 1.044 1.00200.92 C ATOM 1947 O LEU A 115 27.192 -9.041 0.094 1.00160.68 O ATOM 1948 CB LEU A 115 25.681 -9.697 2.804 1.00229.55 C ATOM 1949 CG LEU A 115 25.254 -9.418 4.248 1.00303.77 C ATOM 1950 CD1 LEU A 115 23.758 -9.635 4.413 1.00415.25 C ATOM 1951 CD2 LEU A 115 26.031 -10.299 5.216 1.00397.52 C ATOM 0 H LEU A 115 26.620 -7.326 2.386 1.00153.63 H new ATOM 0 HA LEU A 115 27.805 -9.906 3.143 1.00200.29 H new ATOM 0 HB2 LEU A 115 25.034 -9.130 2.135 1.00229.55 H new ATOM 0 HB3 LEU A 115 25.514 -10.753 2.590 1.00229.55 H new ATOM 0 HG LEU A 115 25.478 -8.376 4.477 1.00303.77 H new ATOM 0 HD11 LEU A 115 23.473 -9.432 5.445 1.00415.25 H new ATOM 0 HD12 LEU A 115 23.217 -8.962 3.748 1.00415.25 H new ATOM 0 HD13 LEU A 115 23.510 -10.667 4.164 1.00415.25 H new ATOM 0 HD21 LEU A 115 25.714 -10.086 6.237 1.00397.52 H new ATOM 0 HD22 LEU A 115 25.839 -11.347 4.988 1.00397.52 H new ATOM 0 HD23 LEU A 115 27.097 -10.095 5.118 1.00397.52 H new ATOM 1963 N PRO A 116 28.039 -10.994 0.874 1.00281.30 N ATOM 1964 CA PRO A 116 28.382 -11.549 -0.452 1.00320.12 C ATOM 1965 C PRO A 116 27.165 -11.675 -1.368 1.00263.33 C ATOM 1966 O PRO A 116 27.278 -11.536 -2.586 1.00247.55 O ATOM 1967 CB PRO A 116 28.937 -12.937 -0.119 1.00469.15 C ATOM 1968 CG PRO A 116 29.422 -12.816 1.281 1.00529.15 C ATOM 1969 CD PRO A 116 28.438 -11.911 1.961 1.00382.32 C ATOM 0 HA PRO A 116 29.079 -10.907 -0.991 1.00320.12 H new ATOM 0 HB2 PRO A 116 28.168 -13.704 -0.208 1.00469.15 H new ATOM 0 HB3 PRO A 116 29.744 -13.215 -0.796 1.00469.15 H new ATOM 0 HG2 PRO A 116 29.464 -13.790 1.769 1.00529.15 H new ATOM 0 HG3 PRO A 116 30.429 -12.399 1.314 1.00529.15 H new ATOM 0 HD2 PRO A 116 27.587 -12.464 2.358 1.00382.32 H new ATOM 0 HD3 PRO A 116 28.889 -11.377 2.797 1.00382.32 H new ATOM 1977 N TYR A 117 26.007 -11.953 -0.769 1.00266.45 N ATOM 1978 CA TYR A 117 24.758 -12.099 -1.514 1.00243.82 C ATOM 1979 C TYR A 117 24.416 -10.819 -2.276 1.00155.14 C ATOM 1980 O TYR A 117 24.030 -10.872 -3.445 1.00146.85 O ATOM 1981 CB TYR A 117 23.606 -12.493 -0.584 1.00309.31 C ATOM 1982 CG TYR A 117 22.278 -12.620 -1.298 1.00328.26 C ATOM 1983 CD1 TYR A 117 22.165 -13.369 -2.464 1.00407.74 C ATOM 1984 CD2 TYR A 117 21.140 -11.989 -0.811 1.00341.89 C ATOM 1985 CE1 TYR A 117 20.960 -13.485 -3.123 1.00458.99 C ATOM 1986 CE2 TYR A 117 19.927 -12.103 -1.467 1.00394.67 C ATOM 1987 CZ TYR A 117 19.843 -12.851 -2.621 1.00432.02 C ATOM 1988 OH TYR A 117 18.639 -12.964 -3.277 1.00516.88 O ATOM 0 H TYR A 117 25.909 -12.082 0.238 1.00266.45 H new ATOM 0 HA TYR A 117 24.900 -12.899 -2.241 1.00243.82 H new ATOM 0 HB2 TYR A 117 23.844 -13.442 -0.103 1.00309.31 H new ATOM 0 HB3 TYR A 117 23.516 -11.749 0.207 1.00309.31 H new ATOM 0 HD1 TYR A 117 23.037 -13.869 -2.860 1.00407.74 H new ATOM 0 HD2 TYR A 117 21.203 -11.401 0.093 1.00341.89 H new ATOM 0 HE1 TYR A 117 20.891 -14.070 -4.028 1.00458.99 H new ATOM 0 HE2 TYR A 117 19.050 -11.608 -1.076 1.00394.67 H new ATOM 0 HH TYR A 117 17.954 -12.459 -2.792 1.00516.88 H new ATOM 1998 N MET A 118 24.560 -9.676 -1.612 1.00124.23 N ATOM 1999 CA MET A 118 24.267 -8.386 -2.234 1.00103.17 C ATOM 2000 C MET A 118 25.170 -8.180 -3.447 1.00 96.18 C ATOM 2001 O MET A 118 24.735 -7.670 -4.482 1.00101.18 O ATOM 2002 CB MET A 118 24.480 -7.255 -1.225 1.00134.95 C ATOM 2003 CG MET A 118 23.454 -7.233 -0.104 1.00325.51 C ATOM 2004 SD MET A 118 23.790 -5.949 1.116 1.00566.08 S ATOM 2005 CE MET A 118 22.407 -6.168 2.232 1.00914.60 C ATOM 0 H MET A 118 24.877 -9.615 -0.645 1.00124.23 H new ATOM 0 HA MET A 118 23.226 -8.376 -2.558 1.00103.17 H new ATOM 0 HB2 MET A 118 25.476 -7.350 -0.792 1.00134.95 H new ATOM 0 HB3 MET A 118 24.450 -6.301 -1.751 1.00134.95 H new ATOM 0 HG2 MET A 118 22.462 -7.077 -0.527 1.00325.51 H new ATOM 0 HG3 MET A 118 23.440 -8.204 0.390 1.00325.51 H new ATOM 0 HE1 MET A 118 22.582 -5.598 3.145 1.00914.60 H new ATOM 0 HE2 MET A 118 21.494 -5.815 1.753 1.00914.60 H new ATOM 0 HE3 MET A 118 22.302 -7.225 2.478 1.00914.60 H new ATOM 2015 N GLU A 119 26.431 -8.579 -3.300 1.00117.85 N ATOM 2016 CA GLU A 119 27.409 -8.478 -4.378 1.00163.81 C ATOM 2017 C GLU A 119 26.977 -9.330 -5.573 1.00162.83 C ATOM 2018 O GLU A 119 27.113 -8.920 -6.727 1.00192.60 O ATOM 2019 CB GLU A 119 28.782 -8.936 -3.880 1.00231.37 C ATOM 2020 CG GLU A 119 29.419 -7.982 -2.880 1.00339.17 C ATOM 2021 CD GLU A 119 30.663 -8.560 -2.232 1.00455.50 C ATOM 2022 OE1 GLU A 119 30.862 -9.791 -2.318 1.00457.83 O ATOM 2023 OE2 GLU A 119 31.436 -7.782 -1.639 1.00675.31 O1- ATOM 0 H GLU A 119 26.801 -8.978 -2.437 1.00117.85 H new ATOM 0 HA GLU A 119 27.472 -7.437 -4.696 1.00163.81 H new ATOM 0 HB2 GLU A 119 28.682 -9.919 -3.419 1.00231.37 H new ATOM 0 HB3 GLU A 119 29.449 -9.051 -4.734 1.00231.37 H new ATOM 0 HG2 GLU A 119 29.676 -7.051 -3.385 1.00339.17 H new ATOM 0 HG3 GLU A 119 28.692 -7.735 -2.106 1.00339.17 H new ATOM 2030 N GLU A 120 26.452 -10.522 -5.275 1.00159.60 N ATOM 2031 CA GLU A 120 25.985 -11.450 -6.306 1.00190.47 C ATOM 2032 C GLU A 120 24.805 -10.863 -7.080 1.00143.38 C ATOM 2033 O GLU A 120 24.709 -11.029 -8.295 1.00164.78 O ATOM 2034 CB GLU A 120 25.582 -12.787 -5.678 1.00249.42 C ATOM 2035 CG GLU A 120 26.757 -13.589 -5.132 1.00389.00 C ATOM 2036 CD GLU A 120 27.782 -13.937 -6.195 1.00621.93 C ATOM 2037 OE1 GLU A 120 27.382 -14.441 -7.264 1.00703.99 O ATOM 2038 OE2 GLU A 120 28.986 -13.708 -5.953 1.00900.95 O1- ATOM 0 H GLU A 120 26.340 -10.867 -4.322 1.00159.60 H new ATOM 0 HA GLU A 120 26.806 -11.616 -7.003 1.00190.47 H new ATOM 0 HB2 GLU A 120 24.875 -12.600 -4.870 1.00249.42 H new ATOM 0 HB3 GLU A 120 25.061 -13.386 -6.425 1.00249.42 H new ATOM 0 HG2 GLU A 120 27.242 -13.019 -4.340 1.00389.00 H new ATOM 0 HG3 GLU A 120 26.384 -14.508 -4.680 1.00389.00 H new ATOM 2045 N ILE A 121 23.902 -10.188 -6.365 1.00104.94 N ATOM 2046 CA ILE A 121 22.741 -9.560 -6.990 1.00 94.04 C ATOM 2047 C ILE A 121 23.178 -8.502 -8.003 1.00 94.85 C ATOM 2048 O ILE A 121 22.627 -8.420 -9.101 1.00105.59 O ATOM 2049 CB ILE A 121 21.810 -8.923 -5.934 1.00103.27 C ATOM 2050 CG1 ILE A 121 21.154 -10.018 -5.096 1.00190.31 C ATOM 2051 CG2 ILE A 121 20.744 -8.050 -6.593 1.00158.01 C ATOM 2052 CD1 ILE A 121 20.427 -9.492 -3.883 1.00300.73 C ATOM 0 H ILE A 121 23.954 -10.064 -5.354 1.00104.94 H new ATOM 0 HA ILE A 121 22.187 -10.341 -7.510 1.00 94.04 H new ATOM 0 HB ILE A 121 22.411 -8.285 -5.286 1.00103.27 H new ATOM 0 HG12 ILE A 121 20.451 -10.570 -5.720 1.00190.31 H new ATOM 0 HG13 ILE A 121 21.918 -10.725 -4.774 1.00190.31 H new ATOM 0 HG21 ILE A 121 20.104 -7.615 -5.825 1.00158.01 H new ATOM 0 HG22 ILE A 121 21.226 -7.252 -7.158 1.00158.01 H new ATOM 0 HG23 ILE A 121 20.141 -8.659 -7.266 1.00158.01 H new ATOM 0 HD11 ILE A 121 19.985 -10.324 -3.334 1.00300.73 H new ATOM 0 HD12 ILE A 121 21.130 -8.964 -3.238 1.00300.73 H new ATOM 0 HD13 ILE A 121 19.640 -8.807 -4.199 1.00300.73 H new ATOM 2064 N ASN A 122 24.166 -7.692 -7.621 1.00110.64 N ATOM 2065 CA ASN A 122 24.700 -6.656 -8.506 1.00161.78 C ATOM 2066 C ASN A 122 25.281 -7.286 -9.771 1.00194.23 C ATOM 2067 O ASN A 122 25.164 -6.734 -10.864 1.00241.72 O ATOM 2068 CB ASN A 122 25.766 -5.826 -7.784 1.00211.29 C ATOM 2069 CG ASN A 122 26.337 -4.728 -8.663 1.00326.65 C ATOM 2070 OD1 ASN A 122 27.465 -4.824 -9.141 1.00450.08 O ATOM 2071 ND2 ASN A 122 25.554 -3.680 -8.886 1.00595.29 N ATOM 0 H ASN A 122 24.613 -7.733 -6.705 1.00110.64 H new ATOM 0 HA ASN A 122 23.884 -5.992 -8.791 1.00161.78 H new ATOM 0 HB2 ASN A 122 25.332 -5.382 -6.888 1.00211.29 H new ATOM 0 HB3 ASN A 122 26.573 -6.482 -7.456 1.00211.29 H new ATOM 0 HD21 ASN A 122 25.882 -2.914 -9.474 1.00595.29 H new ATOM 0 HD22 ASN A 122 24.624 -3.641 -8.469 1.00595.29 H new ATOM 2078 N ARG A 123 25.919 -8.439 -9.602 1.00196.99 N ATOM 2079 CA ARG A 123 26.509 -9.171 -10.719 1.00260.37 C ATOM 2080 C ARG A 123 25.424 -9.637 -11.697 1.00234.34 C ATOM 2081 O ARG A 123 25.656 -9.706 -12.906 1.00276.38 O ATOM 2082 CB ARG A 123 27.298 -10.377 -10.196 1.00316.55 C ATOM 2083 CG ARG A 123 28.070 -11.126 -11.274 1.00395.08 C ATOM 2084 CD ARG A 123 28.902 -12.252 -10.680 1.00495.61 C ATOM 2085 NE ARG A 123 29.962 -11.752 -9.807 1.00675.29 N ATOM 2086 CZ ARG A 123 30.732 -12.536 -9.058 1.00999.99 C ATOM 2087 NH1 ARG A 123 30.546 -13.850 -9.062 1.00999.99 N1+ ATOM 2088 NH2 ARG A 123 31.683 -12.005 -8.302 1.00999.99 N ATOM 0 H ARG A 123 26.042 -8.890 -8.695 1.00196.99 H new ATOM 0 HA ARG A 123 27.186 -8.503 -11.250 1.00260.37 H new ATOM 0 HB2 ARG A 123 27.997 -10.037 -9.432 1.00316.55 H new ATOM 0 HB3 ARG A 123 26.608 -11.068 -9.712 1.00316.55 H new ATOM 0 HG2 ARG A 123 27.373 -11.534 -12.006 1.00395.08 H new ATOM 0 HG3 ARG A 123 28.721 -10.432 -11.806 1.00395.08 H new ATOM 0 HD2 ARG A 123 28.254 -12.922 -10.115 1.00495.61 H new ATOM 0 HD3 ARG A 123 29.343 -12.840 -11.485 1.00495.61 H new ATOM 0 HE ARG A 123 30.120 -10.745 -9.770 1.00675.29 H new ATOM 0 HH11 ARG A 123 29.812 -14.259 -9.640 1.00999.99 H new ATOM 0 HH12 ARG A 123 31.137 -14.451 -8.487 1.00999.99 H new ATOM 0 HH21 ARG A 123 31.824 -10.995 -8.295 1.00999.99 H new ATOM 0 HH22 ARG A 123 32.273 -12.607 -7.728 1.00999.99 H new ATOM 2102 N MET A 124 24.242 -9.960 -11.165 1.00186.25 N ATOM 2103 CA MET A 124 23.129 -10.423 -11.995 1.00179.69 C ATOM 2104 C MET A 124 22.602 -9.294 -12.883 1.00149.83 C ATOM 2105 O MET A 124 22.515 -8.142 -12.452 1.00138.38 O ATOM 2106 CB MET A 124 21.976 -10.948 -11.130 1.00184.23 C ATOM 2107 CG MET A 124 22.346 -12.108 -10.217 1.00219.81 C ATOM 2108 SD MET A 124 20.897 -12.960 -9.558 1.00303.00 S ATOM 2109 CE MET A 124 20.223 -11.717 -8.461 1.00385.68 C ATOM 0 H MET A 124 24.033 -9.909 -10.168 1.00186.25 H new ATOM 0 HA MET A 124 23.510 -11.231 -12.620 1.00179.69 H new ATOM 0 HB2 MET A 124 21.595 -10.129 -10.519 1.00184.23 H new ATOM 0 HB3 MET A 124 21.163 -11.263 -11.784 1.00184.23 H new ATOM 0 HG2 MET A 124 22.961 -12.819 -10.769 1.00219.81 H new ATOM 0 HG3 MET A 124 22.952 -11.737 -9.391 1.00219.81 H new ATOM 0 HE1 MET A 124 19.134 -11.763 -8.484 1.00385.68 H new ATOM 0 HE2 MET A 124 20.572 -11.901 -7.445 1.00385.68 H new ATOM 0 HE3 MET A 124 20.552 -10.729 -8.785 1.00385.68 H new ATOM 2119 N ARG A 125 22.271 -9.639 -14.130 1.00150.14 N ATOM 2120 CA ARG A 125 21.731 -8.678 -15.095 1.00134.69 C ATOM 2121 C ARG A 125 20.528 -7.924 -14.523 1.00112.74 C ATOM 2122 O ARG A 125 19.654 -8.532 -13.901 1.00109.40 O ATOM 2123 CB ARG A 125 21.325 -9.398 -16.386 1.00146.40 C ATOM 2124 CG ARG A 125 22.504 -9.921 -17.196 1.00210.37 C ATOM 2125 CD ARG A 125 23.339 -8.784 -17.771 1.00374.62 C ATOM 2126 NE ARG A 125 22.566 -7.923 -18.666 1.00500.03 N ATOM 2127 CZ ARG A 125 22.358 -8.188 -19.954 1.00766.96 C ATOM 2128 NH1 ARG A 125 22.868 -9.284 -20.503 1.00973.30 N1+ ATOM 2129 NH2 ARG A 125 21.640 -7.352 -20.694 1.00999.99 N ATOM 0 H ARG A 125 22.369 -10.586 -14.497 1.00150.14 H new ATOM 0 HA ARG A 125 22.514 -7.952 -15.313 1.00134.69 H new ATOM 0 HB2 ARG A 125 20.670 -10.232 -16.135 1.00146.40 H new ATOM 0 HB3 ARG A 125 20.746 -8.714 -17.006 1.00146.40 H new ATOM 0 HG2 ARG A 125 23.131 -10.549 -16.563 1.00210.37 H new ATOM 0 HG3 ARG A 125 22.138 -10.550 -18.007 1.00210.37 H new ATOM 0 HD2 ARG A 125 23.744 -8.185 -16.955 1.00374.62 H new ATOM 0 HD3 ARG A 125 24.188 -9.199 -18.314 1.00374.62 H new ATOM 0 HE ARG A 125 22.163 -7.069 -18.280 1.00500.03 H new ATOM 0 HH11 ARG A 125 23.422 -9.927 -19.938 1.00973.30 H new ATOM 0 HH12 ARG A 125 22.706 -9.483 -21.490 1.00973.30 H new ATOM 0 HH21 ARG A 125 21.249 -6.508 -20.276 1.00999.99 H new ATOM 0 HH22 ARG A 125 21.480 -7.554 -21.681 1.00999.99 H new ATOM 2143 N PRO A 126 20.456 -6.594 -14.754 1.00110.35 N ATOM 2144 CA PRO A 126 19.353 -5.741 -14.257 1.00104.28 C ATOM 2145 C PRO A 126 17.968 -6.252 -14.657 1.00 98.38 C ATOM 2146 O PRO A 126 17.010 -6.121 -13.899 1.00102.62 O ATOM 2147 CB PRO A 126 19.630 -4.394 -14.926 1.00117.82 C ATOM 2148 CG PRO A 126 21.102 -4.389 -15.140 1.00149.60 C ATOM 2149 CD PRO A 126 21.452 -5.803 -15.507 1.00128.99 C ATOM 0 HA PRO A 126 19.331 -5.710 -13.168 1.00104.28 H new ATOM 0 HB2 PRO A 126 19.090 -4.299 -15.868 1.00117.82 H new ATOM 0 HB3 PRO A 126 19.317 -3.563 -14.294 1.00117.82 H new ATOM 0 HG2 PRO A 126 21.382 -3.696 -15.933 1.00149.60 H new ATOM 0 HG3 PRO A 126 21.630 -4.074 -14.240 1.00149.60 H new ATOM 0 HD2 PRO A 126 21.375 -5.973 -16.581 1.00128.99 H new ATOM 0 HD3 PRO A 126 22.472 -6.055 -15.217 1.00128.99 H new ATOM 2157 N ALA A 127 17.877 -6.827 -15.852 1.00102.37 N ATOM 2158 CA ALA A 127 16.620 -7.366 -16.368 1.00111.34 C ATOM 2159 C ALA A 127 16.064 -8.481 -15.480 1.00122.44 C ATOM 2160 O ALA A 127 14.851 -8.607 -15.319 1.00147.02 O ATOM 2161 CB ALA A 127 16.809 -7.869 -17.791 1.00124.74 C ATOM 0 H ALA A 127 18.667 -6.933 -16.488 1.00102.37 H new ATOM 0 HA ALA A 127 15.891 -6.555 -16.365 1.00111.34 H new ATOM 0 HB1 ALA A 127 15.866 -8.268 -18.164 1.00124.74 H new ATOM 0 HB2 ALA A 127 17.132 -7.046 -18.428 1.00124.74 H new ATOM 0 HB3 ALA A 127 17.565 -8.654 -17.802 1.00124.74 H new ATOM 2167 N ASP A 128 16.954 -9.292 -14.914 1.00119.66 N ATOM 2168 CA ASP A 128 16.540 -10.405 -14.059 1.00143.76 C ATOM 2169 C ASP A 128 16.451 -9.992 -12.590 1.00139.80 C ATOM 2170 O ASP A 128 16.090 -10.801 -11.734 1.00168.58 O ATOM 2171 CB ASP A 128 17.506 -11.585 -14.202 1.00162.48 C ATOM 2172 CG ASP A 128 17.396 -12.279 -15.546 1.00236.45 C ATOM 2173 OD1 ASP A 128 16.391 -12.055 -16.252 1.00277.81 O ATOM 2174 OD2 ASP A 128 18.317 -13.048 -15.892 1.00360.37 O1- ATOM 0 H ASP A 128 17.963 -9.201 -15.030 1.00119.66 H new ATOM 0 HA ASP A 128 15.546 -10.708 -14.388 1.00143.76 H new ATOM 0 HB2 ASP A 128 18.527 -11.230 -14.065 1.00162.48 H new ATOM 0 HB3 ASP A 128 17.310 -12.307 -13.409 1.00162.48 H new ATOM 2179 N VAL A 129 16.789 -8.741 -12.299 1.00120.14 N ATOM 2180 CA VAL A 129 16.735 -8.234 -10.930 1.00130.04 C ATOM 2181 C VAL A 129 15.448 -7.447 -10.692 1.00125.41 C ATOM 2182 O VAL A 129 15.222 -6.408 -11.315 1.00112.69 O ATOM 2183 CB VAL A 129 17.957 -7.345 -10.602 1.00135.68 C ATOM 2184 CG1 VAL A 129 17.878 -6.815 -9.176 1.00183.43 C ATOM 2185 CG2 VAL A 129 19.251 -8.117 -10.809 1.00187.93 C ATOM 0 H VAL A 129 17.103 -8.059 -12.990 1.00120.14 H new ATOM 0 HA VAL A 129 16.753 -9.099 -10.267 1.00130.04 H new ATOM 0 HB VAL A 129 17.947 -6.494 -11.283 1.00135.68 H new ATOM 0 HG11 VAL A 129 18.749 -6.193 -8.970 1.00183.43 H new ATOM 0 HG12 VAL A 129 16.972 -6.221 -9.058 1.00183.43 H new ATOM 0 HG13 VAL A 129 17.857 -7.652 -8.478 1.00183.43 H new ATOM 0 HG21 VAL A 129 20.100 -7.475 -10.573 1.00187.93 H new ATOM 0 HG22 VAL A 129 19.263 -8.989 -10.155 1.00187.93 H new ATOM 0 HG23 VAL A 129 19.319 -8.441 -11.847 1.00187.93 H new ATOM 2195 N PRO A 130 14.579 -7.940 -9.791 1.00153.16 N ATOM 2196 CA PRO A 130 13.311 -7.277 -9.469 1.00165.65 C ATOM 2197 C PRO A 130 13.512 -5.982 -8.686 1.00148.60 C ATOM 2198 O PRO A 130 14.530 -5.799 -8.016 1.00149.75 O ATOM 2199 CB PRO A 130 12.576 -8.316 -8.619 1.00213.33 C ATOM 2200 CG PRO A 130 13.661 -9.122 -7.993 1.00265.39 C ATOM 2201 CD PRO A 130 14.763 -9.185 -9.015 1.00195.88 C ATOM 0 HA PRO A 130 12.766 -6.979 -10.365 1.00165.65 H new ATOM 0 HB2 PRO A 130 11.950 -7.840 -7.865 1.00213.33 H new ATOM 0 HB3 PRO A 130 11.922 -8.938 -9.230 1.00213.33 H new ATOM 0 HG2 PRO A 130 14.009 -8.659 -7.070 1.00265.39 H new ATOM 0 HG3 PRO A 130 13.308 -10.121 -7.736 1.00265.39 H new ATOM 0 HD2 PRO A 130 15.746 -9.224 -8.545 1.00195.88 H new ATOM 0 HD3 PRO A 130 14.676 -10.069 -9.646 1.00195.88 H new ATOM 2209 N VAL A 131 12.537 -5.086 -8.770 1.00152.18 N ATOM 2210 CA VAL A 131 12.610 -3.812 -8.072 1.00147.96 C ATOM 2211 C VAL A 131 11.653 -3.801 -6.878 1.00172.15 C ATOM 2212 O VAL A 131 10.535 -4.316 -6.959 1.00211.66 O ATOM 2213 CB VAL A 131 12.286 -2.638 -9.039 1.00167.12 C ATOM 2214 CG1 VAL A 131 10.970 -2.876 -9.766 1.00246.78 C ATOM 2215 CG2 VAL A 131 12.256 -1.301 -8.306 1.00227.19 C ATOM 0 H VAL A 131 11.686 -5.220 -9.316 1.00152.18 H new ATOM 0 HA VAL A 131 13.627 -3.681 -7.702 1.00147.96 H new ATOM 0 HB VAL A 131 13.086 -2.597 -9.778 1.00167.12 H new ATOM 0 HG11 VAL A 131 10.768 -2.040 -10.436 1.00246.78 H new ATOM 0 HG12 VAL A 131 11.036 -3.797 -10.345 1.00246.78 H new ATOM 0 HG13 VAL A 131 10.163 -2.962 -9.039 1.00246.78 H new ATOM 0 HG21 VAL A 131 12.027 -0.504 -9.013 1.00227.19 H new ATOM 0 HG22 VAL A 131 11.491 -1.329 -7.530 1.00227.19 H new ATOM 0 HG23 VAL A 131 13.229 -1.114 -7.851 1.00227.19 H new ATOM 2225 N LYS A 132 12.103 -3.227 -5.765 1.00176.59 N ATOM 2226 CA LYS A 132 11.285 -3.163 -4.561 1.00221.54 C ATOM 2227 C LYS A 132 10.795 -1.741 -4.312 1.00177.73 C ATOM 2228 O LYS A 132 11.569 -0.783 -4.366 1.00160.46 O ATOM 2229 CB LYS A 132 12.075 -3.663 -3.348 1.00322.36 C ATOM 2230 CG LYS A 132 12.586 -5.091 -3.491 1.00501.64 C ATOM 2231 CD LYS A 132 11.443 -6.092 -3.589 1.00646.40 C ATOM 2232 CE LYS A 132 11.958 -7.519 -3.676 1.00938.49 C ATOM 2233 NZ LYS A 132 12.723 -7.909 -2.459 1.00999.99 N1+ ATOM 0 H LYS A 132 13.026 -2.802 -5.674 1.00176.59 H new ATOM 0 HA LYS A 132 10.419 -3.808 -4.709 1.00221.54 H new ATOM 0 HB2 LYS A 132 12.923 -2.999 -3.180 1.00322.36 H new ATOM 0 HB3 LYS A 132 11.441 -3.601 -2.463 1.00322.36 H new ATOM 0 HG2 LYS A 132 13.212 -5.166 -4.380 1.00501.64 H new ATOM 0 HG3 LYS A 132 13.215 -5.340 -2.636 1.00501.64 H new ATOM 0 HD2 LYS A 132 10.794 -5.991 -2.719 1.00646.40 H new ATOM 0 HD3 LYS A 132 10.837 -5.869 -4.467 1.00646.40 H new ATOM 0 HE2 LYS A 132 11.118 -8.200 -3.811 1.00938.49 H new ATOM 0 HE3 LYS A 132 12.596 -7.622 -4.554 1.00938.49 H new ATOM 0 HZ1 LYS A 132 12.838 -8.942 -2.437 1.00999.99 H new ATOM 0 HZ2 LYS A 132 13.659 -7.457 -2.478 1.00999.99 H new ATOM 0 HZ3 LYS A 132 12.207 -7.600 -1.611 1.00999.99 H new ATOM 2247 N TYR A 133 9.501 -1.613 -4.047 1.00198.47 N ATOM 2248 CA TYR A 133 8.891 -0.316 -3.786 1.00193.72 C ATOM 2249 C TYR A 133 9.067 0.079 -2.323 1.00206.40 C ATOM 2250 O TYR A 133 9.253 -0.779 -1.458 1.00307.93 O ATOM 2251 CB TYR A 133 7.407 -0.350 -4.156 1.00262.32 C ATOM 2252 CG TYR A 133 7.157 -0.752 -5.593 1.00288.85 C ATOM 2253 CD1 TYR A 133 6.551 -1.966 -5.898 1.00366.86 C ATOM 2254 CD2 TYR A 133 7.542 0.068 -6.646 1.00322.38 C ATOM 2255 CE1 TYR A 133 6.333 -2.347 -7.207 1.00427.35 C ATOM 2256 CE2 TYR A 133 7.326 -0.306 -7.959 1.00378.39 C ATOM 2257 CZ TYR A 133 6.722 -1.514 -8.234 1.00405.19 C ATOM 2258 OH TYR A 133 6.505 -1.892 -9.539 1.00495.41 O ATOM 0 H TYR A 133 8.850 -2.397 -4.007 1.00198.47 H new ATOM 0 HA TYR A 133 9.390 0.432 -4.402 1.00193.72 H new ATOM 0 HB2 TYR A 133 6.891 -1.047 -3.496 1.00262.32 H new ATOM 0 HB3 TYR A 133 6.973 0.635 -3.981 1.00262.32 H new ATOM 0 HD1 TYR A 133 6.245 -2.622 -5.097 1.00366.86 H new ATOM 0 HD2 TYR A 133 8.018 1.014 -6.435 1.00322.38 H new ATOM 0 HE1 TYR A 133 5.860 -3.293 -7.425 1.00427.35 H new ATOM 0 HE2 TYR A 133 7.629 0.345 -8.766 1.00378.39 H new ATOM 0 HH TYR A 133 5.704 -1.442 -9.881 1.00495.41 H new ATOM 2268 N MET A 134 9.005 1.376 -2.045 1.00190.99 N ATOM 2269 CA MET A 134 9.168 1.871 -0.681 1.00213.99 C ATOM 2270 C MET A 134 7.851 1.807 0.086 1.00260.47 C ATOM 2271 O MET A 134 7.763 1.020 1.051 1.00435.79 O ATOM 2272 CB MET A 134 9.699 3.308 -0.691 1.00301.25 C ATOM 2273 CG MET A 134 11.202 3.399 -0.902 1.00435.87 C ATOM 2274 SD MET A 134 12.136 2.563 0.395 1.00688.60 S ATOM 2275 CE MET A 134 11.716 3.559 1.824 1.00761.34 C ATOM 2276 OXT MET A 134 6.920 2.554 -0.284 1.00367.68 O ATOM 0 H MET A 134 8.844 2.103 -2.742 1.00190.99 H new ATOM 0 HA MET A 134 9.891 1.230 -0.177 1.00213.99 H new ATOM 0 HB2 MET A 134 9.195 3.867 -1.479 1.00301.25 H new ATOM 0 HB3 MET A 134 9.443 3.788 0.254 1.00301.25 H new ATOM 0 HG2 MET A 134 11.457 2.962 -1.867 1.00435.87 H new ATOM 0 HG3 MET A 134 11.497 4.448 -0.939 1.00435.87 H new ATOM 0 HE1 MET A 134 12.431 3.367 2.624 1.00761.34 H new ATOM 0 HE2 MET A 134 11.749 4.615 1.554 1.00761.34 H new ATOM 0 HE3 MET A 134 10.713 3.302 2.164 1.00761.34 H new