USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1072 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 103 GLN :FLIP amide:sc= -0.712 F(o=-1.6,f=-1.1) USER MOD Set 1.2: A 111 GLN : amide:sc= -0.342 K(o=-1.1,f=-2.2!) USER MOD Set 2.1: A 95 THR OG1 : rot 180:sc=-0.00674 USER MOD Set 2.2: A 96 THR OG1 : rot -170:sc= 0.0802 USER MOD Set 3.1: A 56 MET CE :methyl 146:sc= -3.3 (180deg=-6!) USER MOD Set 3.2: A 143 SER OG : rot -170:sc= -0.103 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.5!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 28 SER OG : rot 180:sc=0.000429 USER MOD Single : A 34 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-2.7) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0332 USER MOD Single : A 48 MET CE :methyl -119:sc= -0.0115 (180deg=-0.367) USER MOD Single : A 52 HIS :FLIP no HE2:sc= -0.0593 F(o=-1.3,f=-0.059) USER MOD Single : A 53 ASN : amide:sc= -2.06! C(o=-2.1!,f=-4!) USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= -0.0831 (180deg=-0.929) USER MOD Single : A 58 ASN : amide:sc= -0.954 K(o=-0.95,f=-5.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 63 ASN : amide:sc= -0.888 K(o=-0.89,f=-4.5!) USER MOD Single : A 68 TYR OH : rot 158:sc= 0.912 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -2.4! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0244 K(o=-0.024,f=-2!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0944 USER MOD Single : A 98 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.8!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.35) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 110 LYS NZ :NH3+ -148:sc= -1.98! (180deg=-3.96!) USER MOD Single : A 119 LYS NZ :NH3+ 144:sc= -0.164 (180deg=-2.06!) USER MOD Single : A 122 MET CE :methyl 151:sc= -0.195 (180deg=-1.34!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -159:sc= -0.0379 (180deg=-0.588) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -4.05! C(o=-4!,f=-5.4!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.00942 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.636 14.149 -4.814 1.00 0.00 N ATOM 142 CA THR A 9 105.737 15.092 -5.959 1.00 0.00 C ATOM 143 C THR A 9 107.182 15.124 -6.480 1.00 0.00 C ATOM 144 O THR A 9 108.075 14.555 -5.886 1.00 0.00 O ATOM 145 CB THR A 9 105.321 16.454 -5.385 1.00 0.00 C ATOM 146 OG1 THR A 9 105.250 17.402 -6.438 1.00 0.00 O ATOM 147 CG2 THR A 9 106.345 16.931 -4.352 1.00 0.00 C ATOM 0 HA THR A 9 105.107 14.806 -6.801 1.00 0.00 H new ATOM 0 HB THR A 9 104.349 16.353 -4.903 1.00 0.00 H new ATOM 0 HG1 THR A 9 104.983 18.273 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 9 106.037 17.898 -3.954 1.00 0.00 H new ATOM 0 HG22 THR A 9 106.407 16.207 -3.540 1.00 0.00 H new ATOM 0 HG23 THR A 9 107.322 17.029 -4.826 1.00 0.00 H new ATOM 155 N ALA A 10 107.416 15.771 -7.588 1.00 0.00 N ATOM 156 CA ALA A 10 108.804 15.817 -8.138 1.00 0.00 C ATOM 157 C ALA A 10 109.770 16.357 -7.076 1.00 0.00 C ATOM 158 O ALA A 10 110.876 15.879 -6.930 1.00 0.00 O ATOM 159 CB ALA A 10 108.723 16.768 -9.335 1.00 0.00 C ATOM 0 H ALA A 10 106.713 16.268 -8.135 1.00 0.00 H new ATOM 0 HA ALA A 10 109.172 14.833 -8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.706 16.856 -9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.014 16.376 -10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.391 17.750 -8.998 1.00 0.00 H new ATOM 165 N GLU A 11 109.356 17.340 -6.323 1.00 0.00 N ATOM 166 CA GLU A 11 110.245 17.896 -5.261 1.00 0.00 C ATOM 167 C GLU A 11 110.591 16.822 -4.226 1.00 0.00 C ATOM 168 O GLU A 11 111.734 16.662 -3.840 1.00 0.00 O ATOM 169 CB GLU A 11 109.413 18.996 -4.594 1.00 0.00 C ATOM 170 CG GLU A 11 110.233 19.685 -3.499 1.00 0.00 C ATOM 171 CD GLU A 11 109.408 20.817 -2.870 1.00 0.00 C ATOM 172 OE1 GLU A 11 108.214 20.871 -3.120 1.00 0.00 O ATOM 173 OE2 GLU A 11 109.985 21.610 -2.145 1.00 0.00 O1- ATOM 0 H GLU A 11 108.440 17.783 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 11 111.185 18.263 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 11 109.099 19.727 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 11 108.507 18.568 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.518 18.962 -2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 11 111.156 20.085 -3.919 1.00 0.00 H new ATOM 180 N GLU A 12 109.611 16.099 -3.757 1.00 0.00 N ATOM 181 CA GLU A 12 109.883 15.062 -2.723 1.00 0.00 C ATOM 182 C GLU A 12 110.664 13.878 -3.300 1.00 0.00 C ATOM 183 O GLU A 12 111.664 13.458 -2.750 1.00 0.00 O ATOM 184 CB GLU A 12 108.501 14.611 -2.247 1.00 0.00 C ATOM 185 CG GLU A 12 107.792 15.770 -1.533 1.00 0.00 C ATOM 186 CD GLU A 12 106.382 15.342 -1.104 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.989 14.234 -1.432 1.00 0.00 O ATOM 188 OE2 GLU A 12 105.721 16.133 -0.448 1.00 0.00 O1- ATOM 0 H GLU A 12 108.636 16.182 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 12 110.496 15.458 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.905 14.276 -3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.599 13.761 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.369 16.077 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.733 16.634 -2.195 1.00 0.00 H new ATOM 195 N GLU A 13 110.231 13.339 -4.406 1.00 0.00 N ATOM 196 CA GLU A 13 110.970 12.191 -5.007 1.00 0.00 C ATOM 197 C GLU A 13 112.390 12.618 -5.367 1.00 0.00 C ATOM 198 O GLU A 13 113.319 11.839 -5.306 1.00 0.00 O ATOM 199 CB GLU A 13 110.208 11.830 -6.283 1.00 0.00 C ATOM 200 CG GLU A 13 108.841 11.241 -5.928 1.00 0.00 C ATOM 201 CD GLU A 13 108.060 10.915 -7.206 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.536 11.255 -8.279 1.00 0.00 O1- ATOM 203 OE2 GLU A 13 106.992 10.335 -7.090 1.00 0.00 O ATOM 0 H GLU A 13 109.402 13.641 -4.918 1.00 0.00 H new ATOM 0 HA GLU A 13 111.035 11.350 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.081 12.717 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.782 11.111 -6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 13 108.969 10.338 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.278 11.949 -5.319 1.00 0.00 H new ATOM 210 N LYS A 14 112.564 13.844 -5.759 1.00 0.00 N ATOM 211 CA LYS A 14 113.924 14.311 -6.137 1.00 0.00 C ATOM 212 C LYS A 14 114.874 14.269 -4.933 1.00 0.00 C ATOM 213 O LYS A 14 115.998 13.818 -5.036 1.00 0.00 O ATOM 214 CB LYS A 14 113.730 15.748 -6.613 1.00 0.00 C ATOM 215 CG LYS A 14 115.066 16.298 -7.112 1.00 0.00 C ATOM 216 CD LYS A 14 114.870 17.728 -7.615 1.00 0.00 C ATOM 217 CE LYS A 14 116.203 18.276 -8.132 1.00 0.00 C ATOM 218 NZ LYS A 14 115.897 19.662 -8.594 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.826 14.544 -5.835 1.00 0.00 H new ATOM 0 HA LYS A 14 114.370 13.678 -6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 14 112.988 15.782 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.351 16.365 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.802 16.281 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.454 15.669 -7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.125 17.746 -8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.493 18.359 -6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 14 116.959 18.279 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.592 17.665 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.763 20.104 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.179 19.627 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.535 20.222 -7.796 1.00 0.00 H new ATOM 232 N ALA A 15 114.442 14.754 -3.799 1.00 0.00 N ATOM 233 CA ALA A 15 115.337 14.765 -2.600 1.00 0.00 C ATOM 234 C ALA A 15 115.675 13.349 -2.111 1.00 0.00 C ATOM 235 O ALA A 15 116.797 13.082 -1.725 1.00 0.00 O ATOM 236 CB ALA A 15 114.559 15.522 -1.527 1.00 0.00 C ATOM 0 H ALA A 15 113.511 15.143 -3.649 1.00 0.00 H new ATOM 0 HA ALA A 15 116.293 15.232 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.153 15.572 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.346 16.532 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.622 15.003 -1.323 1.00 0.00 H new ATOM 242 N ILE A 16 114.730 12.443 -2.094 1.00 0.00 N ATOM 243 CA ILE A 16 115.042 11.070 -1.593 1.00 0.00 C ATOM 244 C ILE A 16 116.019 10.359 -2.538 1.00 0.00 C ATOM 245 O ILE A 16 116.918 9.668 -2.101 1.00 0.00 O ATOM 246 CB ILE A 16 113.692 10.344 -1.491 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.880 9.007 -0.773 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.116 10.093 -2.881 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.518 8.483 -0.309 1.00 0.00 C ATOM 0 H ILE A 16 113.769 12.591 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 16 115.537 11.089 -0.622 1.00 0.00 H new ATOM 0 HB ILE A 16 113.001 10.971 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.351 8.286 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.545 9.131 0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.160 9.578 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.969 11.045 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.807 9.477 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.650 7.530 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.065 9.202 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.868 8.344 -1.173 1.00 0.00 H new ATOM 261 N VAL A 17 115.883 10.549 -3.822 1.00 0.00 N ATOM 262 CA VAL A 17 116.832 9.906 -4.774 1.00 0.00 C ATOM 263 C VAL A 17 118.236 10.457 -4.520 1.00 0.00 C ATOM 264 O VAL A 17 119.214 9.736 -4.547 1.00 0.00 O ATOM 265 CB VAL A 17 116.334 10.299 -6.167 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.336 9.827 -7.226 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.977 9.638 -6.420 1.00 0.00 C ATOM 0 H VAL A 17 115.156 11.121 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 17 116.878 8.822 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 17 116.233 11.383 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.978 10.108 -8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.304 10.293 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.439 8.743 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.617 9.914 -7.411 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.083 8.555 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.263 9.974 -5.668 1.00 0.00 H new ATOM 277 N ASP A 18 118.342 11.732 -4.277 1.00 0.00 N ATOM 278 CA ASP A 18 119.689 12.320 -4.033 1.00 0.00 C ATOM 279 C ASP A 18 120.307 11.685 -2.784 1.00 0.00 C ATOM 280 O ASP A 18 121.493 11.432 -2.726 1.00 0.00 O ATOM 281 CB ASP A 18 119.466 13.821 -3.834 1.00 0.00 C ATOM 282 CG ASP A 18 119.424 14.533 -5.192 1.00 0.00 C ATOM 283 OD1 ASP A 18 119.660 13.880 -6.197 1.00 0.00 O1- ATOM 284 OD2 ASP A 18 119.148 15.721 -5.203 1.00 0.00 O ATOM 0 H ASP A 18 117.562 12.389 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 18 120.374 12.138 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.532 13.990 -3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 18 120.266 14.237 -3.221 1.00 0.00 H new ATOM 289 N ALA A 19 119.507 11.413 -1.789 1.00 0.00 N ATOM 290 CA ALA A 19 120.049 10.783 -0.550 1.00 0.00 C ATOM 291 C ALA A 19 120.655 9.416 -0.891 1.00 0.00 C ATOM 292 O ALA A 19 121.688 9.036 -0.374 1.00 0.00 O ATOM 293 CB ALA A 19 118.841 10.622 0.374 1.00 0.00 C ATOM 0 H ALA A 19 118.504 11.599 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 19 120.835 11.378 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.158 10.163 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.406 11.600 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 19 118.097 9.987 -0.107 1.00 0.00 H new ATOM 299 N ILE A 20 120.017 8.680 -1.764 1.00 0.00 N ATOM 300 CA ILE A 20 120.553 7.337 -2.148 1.00 0.00 C ATOM 301 C ILE A 20 121.908 7.482 -2.853 1.00 0.00 C ATOM 302 O ILE A 20 122.856 6.781 -2.550 1.00 0.00 O ATOM 303 CB ILE A 20 119.506 6.726 -3.090 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.135 6.679 -2.400 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.928 5.309 -3.476 1.00 0.00 C ATOM 306 CD1 ILE A 20 118.241 5.904 -1.084 1.00 0.00 C ATOM 0 H ILE A 20 119.149 8.949 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 20 120.721 6.703 -1.277 1.00 0.00 H new ATOM 0 HB ILE A 20 119.434 7.344 -3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 20 117.780 7.691 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.405 6.203 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.183 4.877 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.894 5.342 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.008 4.696 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 20 117.265 5.874 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 20 118.576 4.887 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 20 118.957 6.398 -0.427 1.00 0.00 H new ATOM 318 N ARG A 21 122.011 8.394 -3.777 1.00 0.00 N ATOM 319 CA ARG A 21 123.306 8.596 -4.487 1.00 0.00 C ATOM 320 C ARG A 21 124.425 8.861 -3.477 1.00 0.00 C ATOM 321 O ARG A 21 125.524 8.355 -3.596 1.00 0.00 O ATOM 322 CB ARG A 21 123.080 9.838 -5.346 1.00 0.00 C ATOM 323 CG ARG A 21 122.176 9.498 -6.532 1.00 0.00 C ATOM 324 CD ARG A 21 121.870 10.782 -7.302 1.00 0.00 C ATOM 325 NE ARG A 21 123.200 11.268 -7.761 1.00 0.00 N ATOM 326 CZ ARG A 21 123.697 10.842 -8.888 1.00 0.00 C ATOM 327 NH1 ARG A 21 122.965 10.845 -9.967 1.00 0.00 N ATOM 328 NH2 ARG A 21 124.928 10.409 -8.936 1.00 0.00 N1+ ATOM 0 H ARG A 21 121.254 9.010 -4.073 1.00 0.00 H new ATOM 0 HA ARG A 21 123.598 7.725 -5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.626 10.627 -4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 21 124.036 10.221 -5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.665 8.774 -7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.252 9.038 -6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.205 10.591 -8.144 1.00 0.00 H new ATOM 0 HD3 ARG A 21 121.376 11.518 -6.667 1.00 0.00 H new ATOM 0 HE ARG A 21 123.723 11.935 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 21 122.003 11.181 -9.929 1.00 0.00 H new ATOM 0 HH12 ARG A 21 123.355 10.511 -10.849 1.00 0.00 H new ATOM 0 HH21 ARG A 21 125.500 10.404 -8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 21 125.317 10.076 -9.818 1.00 0.00 H new ATOM 342 N ASP A 22 124.144 9.662 -2.487 1.00 0.00 N ATOM 343 CA ASP A 22 125.168 9.989 -1.453 1.00 0.00 C ATOM 344 C ASP A 22 125.574 8.739 -0.664 1.00 0.00 C ATOM 345 O ASP A 22 126.724 8.572 -0.308 1.00 0.00 O ATOM 346 CB ASP A 22 124.473 11.003 -0.540 1.00 0.00 C ATOM 347 CG ASP A 22 125.419 11.448 0.580 1.00 0.00 C ATOM 348 OD1 ASP A 22 126.487 10.871 0.697 1.00 0.00 O ATOM 349 OD2 ASP A 22 125.058 12.366 1.299 1.00 0.00 O1- ATOM 0 H ASP A 22 123.238 10.110 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 22 126.086 10.380 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 22 124.155 11.868 -1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 22 123.574 10.560 -0.111 1.00 0.00 H new ATOM 354 N ALA A 23 124.645 7.863 -0.373 1.00 0.00 N ATOM 355 CA ALA A 23 125.008 6.643 0.412 1.00 0.00 C ATOM 356 C ALA A 23 125.985 5.768 -0.384 1.00 0.00 C ATOM 357 O ALA A 23 126.926 5.228 0.162 1.00 0.00 O ATOM 358 CB ALA A 23 123.694 5.908 0.668 1.00 0.00 C ATOM 0 H ALA A 23 123.664 7.937 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 23 125.506 6.895 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.890 5.002 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 23 123.019 6.554 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.234 5.643 -0.284 1.00 0.00 H new ATOM 364 N GLU A 24 125.785 5.633 -1.673 1.00 0.00 N ATOM 365 CA GLU A 24 126.729 4.805 -2.488 1.00 0.00 C ATOM 366 C GLU A 24 128.154 5.378 -2.419 1.00 0.00 C ATOM 367 O GLU A 24 129.119 4.697 -2.711 1.00 0.00 O ATOM 368 CB GLU A 24 126.186 4.852 -3.916 1.00 0.00 C ATOM 369 CG GLU A 24 125.430 3.553 -4.212 1.00 0.00 C ATOM 370 CD GLU A 24 124.042 3.585 -3.560 1.00 0.00 C ATOM 371 OE1 GLU A 24 123.757 4.540 -2.856 1.00 0.00 O1- ATOM 372 OE2 GLU A 24 123.285 2.654 -3.784 1.00 0.00 O ATOM 0 H GLU A 24 125.016 6.056 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 24 126.792 3.781 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 24 125.523 5.708 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 24 127.004 4.980 -4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 24 125.330 3.420 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 24 125.996 2.701 -3.836 1.00 0.00 H new ATOM 379 N LYS A 25 128.297 6.601 -1.982 1.00 0.00 N ATOM 380 CA LYS A 25 129.655 7.181 -1.833 1.00 0.00 C ATOM 381 C LYS A 25 130.144 6.997 -0.380 1.00 0.00 C ATOM 382 O LYS A 25 131.233 7.410 -0.032 1.00 0.00 O ATOM 383 CB LYS A 25 129.483 8.649 -2.177 1.00 0.00 C ATOM 384 CG LYS A 25 129.144 8.783 -3.658 1.00 0.00 C ATOM 385 CD LYS A 25 128.856 10.246 -3.959 1.00 0.00 C ATOM 386 CE LYS A 25 128.570 10.419 -5.448 1.00 0.00 C ATOM 387 NZ LYS A 25 128.322 11.879 -5.618 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.529 7.220 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 25 130.397 6.704 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.690 9.086 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.398 9.197 -1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.973 8.427 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.278 8.168 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 25 128.002 10.586 -3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.708 10.861 -3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.413 10.087 -6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.705 9.832 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 128.117 12.082 -6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.510 12.164 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 129.165 12.411 -5.322 1.00 0.00 H new ATOM 401 N ASN A 26 129.353 6.372 0.467 1.00 0.00 N ATOM 402 CA ASN A 26 129.773 6.137 1.877 1.00 0.00 C ATOM 403 C ASN A 26 129.961 4.631 2.117 1.00 0.00 C ATOM 404 O ASN A 26 130.602 4.216 3.062 1.00 0.00 O ATOM 405 CB ASN A 26 128.608 6.647 2.723 1.00 0.00 C ATOM 406 CG ASN A 26 128.552 8.173 2.669 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.532 8.819 2.358 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.433 8.778 2.959 1.00 0.00 N ATOM 0 H ASN A 26 128.427 6.014 0.232 1.00 0.00 H new ATOM 0 HA ASN A 26 130.712 6.635 2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.671 6.227 2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.724 6.315 3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.380 9.796 2.925 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.611 8.233 3.220 1.00 0.00 H new ATOM 415 N THR A 27 129.403 3.806 1.262 1.00 0.00 N ATOM 416 CA THR A 27 129.548 2.330 1.429 1.00 0.00 C ATOM 417 C THR A 27 129.499 1.661 0.057 1.00 0.00 C ATOM 418 O THR A 27 128.934 2.188 -0.882 1.00 0.00 O ATOM 419 CB THR A 27 128.337 1.893 2.275 1.00 0.00 C ATOM 420 OG1 THR A 27 128.286 0.463 2.404 1.00 0.00 O ATOM 421 CG2 THR A 27 127.049 2.372 1.602 1.00 0.00 C ATOM 0 H THR A 27 128.852 4.096 0.454 1.00 0.00 H new ATOM 0 HA THR A 27 130.490 2.055 1.904 1.00 0.00 H new ATOM 0 HB THR A 27 128.438 2.333 3.267 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.510 0.211 2.947 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.190 2.064 2.199 1.00 0.00 H new ATOM 0 HG22 THR A 27 127.063 3.459 1.521 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.974 1.935 0.606 1.00 0.00 H new ATOM 429 N SER A 28 130.047 0.490 -0.055 1.00 0.00 N ATOM 430 CA SER A 28 129.990 -0.236 -1.349 1.00 0.00 C ATOM 431 C SER A 28 128.690 -1.062 -1.420 1.00 0.00 C ATOM 432 O SER A 28 128.339 -1.585 -2.460 1.00 0.00 O ATOM 433 CB SER A 28 131.215 -1.145 -1.350 1.00 0.00 C ATOM 434 OG SER A 28 131.093 -2.095 -0.301 1.00 0.00 O ATOM 0 H SER A 28 130.534 0.001 0.696 1.00 0.00 H new ATOM 0 HA SER A 28 129.992 0.434 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.304 -1.654 -2.310 1.00 0.00 H new ATOM 0 HB3 SER A 28 132.121 -0.554 -1.218 1.00 0.00 H new ATOM 0 HG SER A 28 131.877 -2.683 -0.299 1.00 0.00 H new ATOM 440 N GLY A 29 127.965 -1.179 -0.325 1.00 0.00 N ATOM 441 CA GLY A 29 126.698 -1.957 -0.346 1.00 0.00 C ATOM 442 C GLY A 29 125.658 -1.186 -1.148 1.00 0.00 C ATOM 443 O GLY A 29 125.895 -0.076 -1.583 1.00 0.00 O ATOM 0 H GLY A 29 128.204 -0.766 0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.866 -2.938 -0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.342 -2.124 0.670 1.00 0.00 H new ATOM 447 N GLU A 30 124.521 -1.770 -1.372 1.00 0.00 N ATOM 448 CA GLU A 30 123.484 -1.064 -2.181 1.00 0.00 C ATOM 449 C GLU A 30 122.106 -1.126 -1.511 1.00 0.00 C ATOM 450 O GLU A 30 121.686 -2.148 -1.008 1.00 0.00 O ATOM 451 CB GLU A 30 123.479 -1.804 -3.518 1.00 0.00 C ATOM 452 CG GLU A 30 124.851 -1.660 -4.183 1.00 0.00 C ATOM 453 CD GLU A 30 125.101 -0.194 -4.534 1.00 0.00 C ATOM 454 OE1 GLU A 30 124.136 0.543 -4.626 1.00 0.00 O ATOM 455 OE2 GLU A 30 126.255 0.166 -4.704 1.00 0.00 O1- ATOM 0 H GLU A 30 124.261 -2.697 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 30 123.704 -0.002 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.247 -2.858 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.703 -1.399 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 30 125.631 -2.022 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 30 124.896 -2.272 -5.084 1.00 0.00 H new ATOM 462 N ILE A 31 121.406 -0.018 -1.508 1.00 0.00 N ATOM 463 CA ILE A 31 120.050 0.035 -0.884 1.00 0.00 C ATOM 464 C ILE A 31 119.002 0.416 -1.938 1.00 0.00 C ATOM 465 O ILE A 31 119.182 1.347 -2.697 1.00 0.00 O ATOM 466 CB ILE A 31 120.144 1.122 0.195 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.131 0.683 1.282 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.763 1.343 0.822 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.458 1.872 2.190 1.00 0.00 C ATOM 0 H ILE A 31 121.722 0.862 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 31 119.752 -0.926 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 31 120.491 2.050 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.703 -0.129 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 31 122.043 0.299 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.831 2.115 1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.060 1.657 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.415 0.414 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.160 1.558 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.904 2.671 1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.543 2.235 2.658 1.00 0.00 H new ATOM 481 N ARG A 32 117.900 -0.283 -1.979 1.00 0.00 N ATOM 482 CA ARG A 32 116.838 0.059 -2.971 1.00 0.00 C ATOM 483 C ARG A 32 115.456 -0.035 -2.318 1.00 0.00 C ATOM 484 O ARG A 32 115.240 -0.794 -1.396 1.00 0.00 O ATOM 485 CB ARG A 32 116.991 -0.949 -4.111 1.00 0.00 C ATOM 486 CG ARG A 32 118.329 -0.705 -4.808 1.00 0.00 C ATOM 487 CD ARG A 32 118.535 -1.731 -5.920 1.00 0.00 C ATOM 488 NE ARG A 32 117.494 -1.417 -6.940 1.00 0.00 N ATOM 489 CZ ARG A 32 117.743 -0.550 -7.884 1.00 0.00 C ATOM 490 NH1 ARG A 32 117.611 0.728 -7.652 1.00 0.00 N1+ ATOM 491 NH2 ARG A 32 118.126 -0.965 -9.061 1.00 0.00 N ATOM 0 H ARG A 32 117.689 -1.074 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 32 116.936 1.079 -3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 32 116.948 -1.967 -3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.171 -0.843 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 32 118.354 0.303 -5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 32 119.142 -0.772 -4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 32 119.536 -1.657 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 32 118.423 -2.748 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 32 116.586 -1.880 -6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 32 117.313 1.051 -6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 32 117.806 1.403 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 32 118.230 -1.964 -9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 32 118.321 -0.291 -9.801 1.00 0.00 H new ATOM 505 N VAL A 33 114.532 0.761 -2.781 1.00 0.00 N ATOM 506 CA VAL A 33 113.161 0.768 -2.190 1.00 0.00 C ATOM 507 C VAL A 33 112.107 0.495 -3.274 1.00 0.00 C ATOM 508 O VAL A 33 112.175 1.026 -4.366 1.00 0.00 O ATOM 509 CB VAL A 33 113.010 2.185 -1.616 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.565 2.441 -1.165 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.946 2.336 -0.414 1.00 0.00 C ATOM 0 H VAL A 33 114.669 1.415 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 33 113.021 -0.003 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 33 113.265 2.907 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.483 3.451 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.894 2.335 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.291 1.720 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.846 3.339 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.683 1.601 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.976 2.176 -0.733 1.00 0.00 H new ATOM 521 N HIS A 34 111.123 -0.309 -2.965 1.00 0.00 N ATOM 522 CA HIS A 34 110.044 -0.609 -3.956 1.00 0.00 C ATOM 523 C HIS A 34 108.678 -0.235 -3.360 1.00 0.00 C ATOM 524 O HIS A 34 108.313 -0.672 -2.285 1.00 0.00 O ATOM 525 CB HIS A 34 110.133 -2.116 -4.209 1.00 0.00 C ATOM 526 CG HIS A 34 109.174 -2.502 -5.300 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.542 -2.514 -6.633 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.854 -2.879 -5.272 1.00 0.00 C ATOM 529 CE1 HIS A 34 108.466 -2.879 -7.350 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.408 -3.117 -6.570 1.00 0.00 N ATOM 0 H HIS A 34 111.019 -0.774 -2.063 1.00 0.00 H new ATOM 0 HA HIS A 34 110.158 -0.044 -4.881 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.150 -2.388 -4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 34 109.899 -2.663 -3.295 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.253 -2.976 -4.380 1.00 0.00 H new ATOM 0 HE1 HIS A 34 108.457 -2.969 -8.426 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.475 -3.410 -6.862 1.00 0.00 H new ATOM 538 N LEU A 35 107.934 0.590 -4.051 1.00 0.00 N ATOM 539 CA LEU A 35 106.598 1.032 -3.542 1.00 0.00 C ATOM 540 C LEU A 35 105.444 0.471 -4.384 1.00 0.00 C ATOM 541 O LEU A 35 105.406 0.610 -5.590 1.00 0.00 O ATOM 542 CB LEU A 35 106.624 2.558 -3.664 1.00 0.00 C ATOM 543 CG LEU A 35 105.375 3.138 -2.998 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.363 2.741 -1.520 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.396 4.664 -3.108 1.00 0.00 C ATOM 0 H LEU A 35 108.197 0.981 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 35 106.432 0.679 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.521 2.957 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.660 2.850 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 35 104.485 2.750 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.475 3.152 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.352 1.654 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.254 3.134 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.505 5.075 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.285 5.052 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.413 4.953 -4.159 1.00 0.00 H new ATOM 557 N GLU A 36 104.482 -0.131 -3.726 1.00 0.00 N ATOM 558 CA GLU A 36 103.287 -0.680 -4.438 1.00 0.00 C ATOM 559 C GLU A 36 102.059 -0.535 -3.531 1.00 0.00 C ATOM 560 O GLU A 36 102.173 -0.216 -2.362 1.00 0.00 O ATOM 561 CB GLU A 36 103.606 -2.148 -4.738 1.00 0.00 C ATOM 562 CG GLU A 36 102.506 -2.743 -5.628 1.00 0.00 C ATOM 563 CD GLU A 36 102.855 -4.188 -5.998 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.755 -4.737 -5.386 1.00 0.00 O ATOM 565 OE2 GLU A 36 102.214 -4.720 -6.891 1.00 0.00 O1- ATOM 0 H GLU A 36 104.475 -0.266 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 36 103.067 -0.152 -5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.572 -2.226 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.680 -2.712 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.549 -2.714 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.395 -2.144 -6.532 1.00 0.00 H new ATOM 572 N LYS A 37 100.880 -0.719 -4.070 1.00 0.00 N ATOM 573 CA LYS A 37 99.649 -0.537 -3.246 1.00 0.00 C ATOM 574 C LYS A 37 99.349 -1.752 -2.360 1.00 0.00 C ATOM 575 O LYS A 37 99.605 -1.730 -1.170 1.00 0.00 O ATOM 576 CB LYS A 37 98.521 -0.272 -4.247 1.00 0.00 C ATOM 577 CG LYS A 37 98.822 1.028 -5.006 1.00 0.00 C ATOM 578 CD LYS A 37 97.686 1.336 -5.987 1.00 0.00 C ATOM 579 CE LYS A 37 97.998 2.632 -6.744 1.00 0.00 C ATOM 580 NZ LYS A 37 96.845 2.825 -7.672 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.718 -0.986 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 37 99.769 0.290 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.434 -1.104 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.567 -0.192 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.939 1.852 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.764 0.934 -5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.566 0.512 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.744 1.435 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.099 3.474 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.937 2.553 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.987 3.694 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.778 2.011 -8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.966 2.904 -7.122 1.00 0.00 H new ATOM 594 N THR A 38 98.830 -2.814 -2.925 1.00 0.00 N ATOM 595 CA THR A 38 98.538 -4.030 -2.101 1.00 0.00 C ATOM 596 C THR A 38 98.945 -5.295 -2.861 1.00 0.00 C ATOM 597 O THR A 38 98.982 -5.321 -4.075 1.00 0.00 O ATOM 598 CB THR A 38 97.027 -4.005 -1.871 1.00 0.00 C ATOM 599 OG1 THR A 38 96.627 -5.182 -1.185 1.00 0.00 O ATOM 600 CG2 THR A 38 96.309 -3.932 -3.221 1.00 0.00 C ATOM 0 H THR A 38 98.597 -2.893 -3.915 1.00 0.00 H new ATOM 0 HA THR A 38 99.091 -4.032 -1.162 1.00 0.00 H new ATOM 0 HB THR A 38 96.767 -3.133 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.658 -5.162 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.231 -3.914 -3.059 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.612 -3.026 -3.746 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.572 -4.804 -3.820 1.00 0.00 H new ATOM 608 N SER A 39 99.244 -6.348 -2.149 1.00 0.00 N ATOM 609 CA SER A 39 99.644 -7.618 -2.810 1.00 0.00 C ATOM 610 C SER A 39 98.467 -8.593 -2.855 1.00 0.00 C ATOM 611 O SER A 39 97.450 -8.395 -2.219 1.00 0.00 O ATOM 612 CB SER A 39 100.761 -8.188 -1.937 1.00 0.00 C ATOM 613 OG SER A 39 100.340 -8.191 -0.578 1.00 0.00 O ATOM 0 H SER A 39 99.227 -6.380 -1.130 1.00 0.00 H new ATOM 0 HA SER A 39 99.965 -7.455 -3.839 1.00 0.00 H new ATOM 0 HB2 SER A 39 101.007 -9.201 -2.256 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.666 -7.591 -2.048 1.00 0.00 H new ATOM 0 HG SER A 39 101.054 -8.558 -0.015 1.00 0.00 H new ATOM 619 N GLU A 40 98.618 -9.659 -3.583 1.00 0.00 N ATOM 620 CA GLU A 40 97.537 -10.685 -3.662 1.00 0.00 C ATOM 621 C GLU A 40 97.930 -11.944 -2.867 1.00 0.00 C ATOM 622 O GLU A 40 97.124 -12.829 -2.651 1.00 0.00 O ATOM 623 CB GLU A 40 97.407 -11.007 -5.154 1.00 0.00 C ATOM 624 CG GLU A 40 96.268 -12.011 -5.370 1.00 0.00 C ATOM 625 CD GLU A 40 96.025 -12.211 -6.870 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.856 -11.778 -7.652 1.00 0.00 O ATOM 627 OE2 GLU A 40 95.006 -12.789 -7.211 1.00 0.00 O1- ATOM 0 H GLU A 40 99.451 -9.869 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 40 96.599 -10.328 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 40 97.212 -10.094 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 40 98.344 -11.419 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 40 96.518 -12.964 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 40 95.358 -11.650 -4.890 1.00 0.00 H new ATOM 634 N ILE A 41 99.164 -12.036 -2.431 1.00 0.00 N ATOM 635 CA ILE A 41 99.619 -13.230 -1.661 1.00 0.00 C ATOM 636 C ILE A 41 100.334 -12.781 -0.365 1.00 0.00 C ATOM 637 O ILE A 41 99.748 -12.088 0.445 1.00 0.00 O ATOM 638 CB ILE A 41 100.547 -13.979 -2.627 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.642 -13.034 -3.155 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.724 -14.505 -3.801 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.701 -13.850 -3.894 1.00 0.00 C ATOM 0 H ILE A 41 99.880 -11.325 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 41 98.804 -13.875 -1.332 1.00 0.00 H new ATOM 0 HB ILE A 41 101.020 -14.807 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.206 -12.292 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 41 102.098 -12.489 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.376 -15.039 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.955 -15.183 -3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.253 -13.669 -4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.478 -13.184 -4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.144 -14.575 -3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.238 -14.375 -4.730 1.00 0.00 H new ATOM 653 N ASP A 42 101.580 -13.143 -0.146 1.00 0.00 N ATOM 654 CA ASP A 42 102.266 -12.694 1.102 1.00 0.00 C ATOM 655 C ASP A 42 103.379 -11.698 0.759 1.00 0.00 C ATOM 656 O ASP A 42 104.034 -11.809 -0.257 1.00 0.00 O ATOM 657 CB ASP A 42 102.811 -13.975 1.721 1.00 0.00 C ATOM 658 CG ASP A 42 101.637 -14.835 2.201 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.570 -14.282 2.424 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 101.823 -16.032 2.337 1.00 0.00 O ATOM 0 H ASP A 42 102.141 -13.722 -0.771 1.00 0.00 H new ATOM 0 HA ASP A 42 101.604 -12.173 1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.405 -14.523 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.471 -13.739 2.556 1.00 0.00 H new ATOM 665 N VAL A 43 103.562 -10.700 1.583 1.00 0.00 N ATOM 666 CA VAL A 43 104.598 -9.663 1.290 1.00 0.00 C ATOM 667 C VAL A 43 106.021 -10.230 1.348 1.00 0.00 C ATOM 668 O VAL A 43 106.826 -9.948 0.490 1.00 0.00 O ATOM 669 CB VAL A 43 104.416 -8.581 2.356 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.460 -7.478 2.147 1.00 0.00 C ATOM 671 CG2 VAL A 43 103.012 -7.981 2.248 1.00 0.00 C ATOM 0 H VAL A 43 103.039 -10.557 2.447 1.00 0.00 H new ATOM 0 HA VAL A 43 104.472 -9.276 0.279 1.00 0.00 H new ATOM 0 HB VAL A 43 104.544 -9.023 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.331 -6.706 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.460 -7.904 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.332 -7.039 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.886 -7.211 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.880 -7.540 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.269 -8.764 2.398 1.00 0.00 H new ATOM 681 N PHE A 44 106.348 -11.018 2.337 1.00 0.00 N ATOM 682 CA PHE A 44 107.735 -11.573 2.405 1.00 0.00 C ATOM 683 C PHE A 44 108.011 -12.432 1.173 1.00 0.00 C ATOM 684 O PHE A 44 109.038 -12.302 0.533 1.00 0.00 O ATOM 685 CB PHE A 44 107.774 -12.432 3.669 1.00 0.00 C ATOM 686 CG PHE A 44 107.820 -11.548 4.889 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.050 -11.079 5.366 1.00 0.00 C ATOM 688 CD2 PHE A 44 106.637 -11.207 5.549 1.00 0.00 C ATOM 689 CE1 PHE A 44 109.095 -10.267 6.504 1.00 0.00 C ATOM 690 CE2 PHE A 44 106.680 -10.396 6.690 1.00 0.00 C ATOM 691 CZ PHE A 44 107.910 -9.926 7.167 1.00 0.00 C ATOM 0 H PHE A 44 105.725 -11.300 3.093 1.00 0.00 H new ATOM 0 HA PHE A 44 108.489 -10.786 2.432 1.00 0.00 H new ATOM 0 HB2 PHE A 44 106.895 -13.076 3.709 1.00 0.00 H new ATOM 0 HB3 PHE A 44 108.647 -13.085 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.964 -11.344 4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 44 105.689 -11.569 5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 44 110.043 -9.903 6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 44 105.766 -10.133 7.201 1.00 0.00 H new ATOM 0 HZ PHE A 44 107.944 -9.300 8.047 1.00 0.00 H new ATOM 701 N ASP A 45 107.091 -13.273 0.804 1.00 0.00 N ATOM 702 CA ASP A 45 107.293 -14.091 -0.424 1.00 0.00 C ATOM 703 C ASP A 45 107.206 -13.172 -1.646 1.00 0.00 C ATOM 704 O ASP A 45 107.938 -13.330 -2.603 1.00 0.00 O ATOM 705 CB ASP A 45 106.169 -15.125 -0.402 1.00 0.00 C ATOM 706 CG ASP A 45 106.606 -16.312 0.457 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.757 -16.703 0.346 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.786 -16.813 1.208 1.00 0.00 O ATOM 0 H ASP A 45 106.211 -13.431 1.295 1.00 0.00 H new ATOM 0 HA ASP A 45 108.264 -14.585 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.258 -14.683 0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.941 -15.456 -1.415 1.00 0.00 H new ATOM 713 N ARG A 46 106.336 -12.200 -1.615 1.00 0.00 N ATOM 714 CA ARG A 46 106.230 -11.256 -2.766 1.00 0.00 C ATOM 715 C ARG A 46 107.514 -10.434 -2.900 1.00 0.00 C ATOM 716 O ARG A 46 108.003 -10.214 -3.990 1.00 0.00 O ATOM 717 CB ARG A 46 105.046 -10.338 -2.451 1.00 0.00 C ATOM 718 CG ARG A 46 104.837 -9.378 -3.630 1.00 0.00 C ATOM 719 CD ARG A 46 103.586 -8.526 -3.404 1.00 0.00 C ATOM 720 NE ARG A 46 103.417 -7.760 -4.673 1.00 0.00 N ATOM 721 CZ ARG A 46 102.322 -7.081 -4.894 1.00 0.00 C ATOM 722 NH1 ARG A 46 101.957 -6.137 -4.072 1.00 0.00 N1+ ATOM 723 NH2 ARG A 46 101.594 -7.346 -5.943 1.00 0.00 N ATOM 0 H ARG A 46 105.694 -12.018 -0.844 1.00 0.00 H new ATOM 0 HA ARG A 46 106.086 -11.789 -3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 46 104.146 -10.928 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.237 -9.777 -1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.709 -8.734 -3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.738 -9.944 -4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.715 -9.148 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.710 -7.858 -2.552 1.00 0.00 H new ATOM 0 HE ARG A 46 104.160 -7.766 -5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 46 102.527 -5.926 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 46 101.102 -5.610 -4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 46 101.879 -8.082 -6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 46 100.739 -6.817 -6.117 1.00 0.00 H new ATOM 737 N ALA A 47 108.072 -9.978 -1.812 1.00 0.00 N ATOM 738 CA ALA A 47 109.324 -9.176 -1.902 1.00 0.00 C ATOM 739 C ALA A 47 110.494 -10.057 -2.359 1.00 0.00 C ATOM 740 O ALA A 47 111.304 -9.641 -3.156 1.00 0.00 O ATOM 741 CB ALA A 47 109.553 -8.623 -0.494 1.00 0.00 C ATOM 0 H ALA A 47 107.716 -10.126 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 47 109.247 -8.371 -2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.461 -8.020 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.703 -8.005 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.658 -9.449 0.209 1.00 0.00 H new ATOM 747 N MET A 48 110.580 -11.275 -1.889 1.00 0.00 N ATOM 748 CA MET A 48 111.691 -12.164 -2.348 1.00 0.00 C ATOM 749 C MET A 48 111.554 -12.413 -3.848 1.00 0.00 C ATOM 750 O MET A 48 112.518 -12.349 -4.585 1.00 0.00 O ATOM 751 CB MET A 48 111.526 -13.472 -1.571 1.00 0.00 C ATOM 752 CG MET A 48 112.603 -14.471 -2.010 1.00 0.00 C ATOM 753 SD MET A 48 112.418 -16.011 -1.075 1.00 0.00 S ATOM 754 CE MET A 48 111.004 -16.675 -1.992 1.00 0.00 C ATOM 0 H MET A 48 109.937 -11.690 -1.215 1.00 0.00 H new ATOM 0 HA MET A 48 112.672 -11.723 -2.173 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.606 -13.283 -0.500 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.535 -13.889 -1.748 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.516 -14.669 -3.078 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.594 -14.049 -1.844 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.158 -16.799 -1.316 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.732 -15.985 -2.791 1.00 0.00 H new ATOM 0 HE3 MET A 48 111.270 -17.641 -2.422 1.00 0.00 H new ATOM 764 N ASP A 49 110.364 -12.672 -4.315 1.00 0.00 N ATOM 765 CA ASP A 49 110.189 -12.895 -5.775 1.00 0.00 C ATOM 766 C ASP A 49 110.555 -11.615 -6.534 1.00 0.00 C ATOM 767 O ASP A 49 111.302 -11.640 -7.484 1.00 0.00 O ATOM 768 CB ASP A 49 108.718 -13.270 -5.960 1.00 0.00 C ATOM 769 CG ASP A 49 108.543 -14.771 -5.721 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.523 -15.488 -5.834 1.00 0.00 O ATOM 771 OD2 ASP A 49 107.432 -15.178 -5.424 1.00 0.00 O1- ATOM 0 H ASP A 49 109.514 -12.738 -3.755 1.00 0.00 H new ATOM 0 HA ASP A 49 110.834 -13.683 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.097 -12.705 -5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.389 -13.010 -6.966 1.00 0.00 H new ATOM 776 N VAL A 50 110.059 -10.489 -6.093 1.00 0.00 N ATOM 777 CA VAL A 50 110.405 -9.199 -6.767 1.00 0.00 C ATOM 778 C VAL A 50 111.908 -8.910 -6.617 1.00 0.00 C ATOM 779 O VAL A 50 112.563 -8.510 -7.561 1.00 0.00 O ATOM 780 CB VAL A 50 109.564 -8.134 -6.046 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.981 -6.728 -6.496 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.084 -8.342 -6.371 1.00 0.00 C ATOM 0 H VAL A 50 109.429 -10.405 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 50 110.196 -9.219 -7.837 1.00 0.00 H new ATOM 0 HB VAL A 50 109.728 -8.230 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.376 -5.985 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 50 111.033 -6.568 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.831 -6.631 -7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.489 -7.586 -5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.932 -8.256 -7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.774 -9.333 -6.039 1.00 0.00 H new ATOM 792 N PHE A 51 112.461 -9.103 -5.456 1.00 0.00 N ATOM 793 CA PHE A 51 113.916 -8.828 -5.274 1.00 0.00 C ATOM 794 C PHE A 51 114.731 -9.689 -6.242 1.00 0.00 C ATOM 795 O PHE A 51 115.624 -9.204 -6.908 1.00 0.00 O ATOM 796 CB PHE A 51 114.222 -9.207 -3.821 1.00 0.00 C ATOM 797 CG PHE A 51 115.693 -9.007 -3.543 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.246 -7.723 -3.586 1.00 0.00 C ATOM 799 CD2 PHE A 51 116.506 -10.105 -3.243 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.612 -7.540 -3.333 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.871 -9.922 -2.989 1.00 0.00 C ATOM 802 CZ PHE A 51 118.423 -8.639 -3.037 1.00 0.00 C ATOM 0 H PHE A 51 111.973 -9.438 -4.625 1.00 0.00 H new ATOM 0 HA PHE A 51 114.170 -7.788 -5.477 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.627 -8.596 -3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 51 113.945 -10.246 -3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 51 115.620 -6.873 -3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 51 116.080 -11.097 -3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.039 -6.548 -3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 51 118.496 -10.771 -2.756 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.476 -8.497 -2.845 1.00 0.00 H new ATOM 812 N HIS A 52 114.428 -10.951 -6.342 1.00 0.00 N ATOM 813 CA HIS A 52 115.183 -11.823 -7.290 1.00 0.00 C ATOM 814 C HIS A 52 114.740 -11.555 -8.734 1.00 0.00 C ATOM 815 O HIS A 52 115.540 -11.573 -9.647 1.00 0.00 O ATOM 816 CB HIS A 52 114.849 -13.252 -6.867 1.00 0.00 C ATOM 817 CG HIS A 52 115.559 -13.565 -5.581 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.364 -13.130 -4.294 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.641 -14.428 -5.529 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.308 -13.711 -3.454 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 117.053 -14.482 -4.249 1.00 0.00 N flip ATOM 0 H HIS A 52 113.693 -11.418 -5.811 1.00 0.00 H new ATOM 0 HA HIS A 52 116.256 -11.636 -7.259 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.772 -13.364 -6.738 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.152 -13.954 -7.644 1.00 0.00 H new ATOM 0 HD1 HIS A 52 114.637 -12.479 -3.998 1.00 0.00 H new ATOM 0 HD2 HIS A 52 117.075 -14.960 -6.363 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.415 -13.569 -2.389 1.00 0.00 H new ATOM 829 N ASN A 53 113.476 -11.303 -8.950 1.00 0.00 N ATOM 830 CA ASN A 53 112.999 -11.033 -10.341 1.00 0.00 C ATOM 831 C ASN A 53 113.686 -9.784 -10.885 1.00 0.00 C ATOM 832 O ASN A 53 114.097 -9.737 -12.027 1.00 0.00 O ATOM 833 CB ASN A 53 111.497 -10.804 -10.221 1.00 0.00 C ATOM 834 CG ASN A 53 110.787 -12.147 -10.057 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.352 -13.186 -10.334 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.563 -12.167 -9.610 1.00 0.00 N ATOM 0 H ASN A 53 112.756 -11.272 -8.229 1.00 0.00 H new ATOM 0 HA ASN A 53 113.224 -11.854 -11.021 1.00 0.00 H new ATOM 0 HB2 ASN A 53 111.284 -10.161 -9.367 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.125 -10.290 -11.107 1.00 0.00 H new ATOM 0 HD21 ASN A 53 109.078 -13.056 -9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 53 109.090 -11.293 -9.378 1.00 0.00 H new ATOM 843 N LEU A 54 113.847 -8.785 -10.062 1.00 0.00 N ATOM 844 CA LEU A 54 114.547 -7.555 -10.524 1.00 0.00 C ATOM 845 C LEU A 54 116.078 -7.767 -10.523 1.00 0.00 C ATOM 846 O LEU A 54 116.830 -6.853 -10.806 1.00 0.00 O ATOM 847 CB LEU A 54 114.147 -6.466 -9.526 1.00 0.00 C ATOM 848 CG LEU A 54 112.640 -6.209 -9.621 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.204 -5.335 -8.448 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.309 -5.487 -10.932 1.00 0.00 C ATOM 0 H LEU A 54 113.526 -8.767 -9.094 1.00 0.00 H new ATOM 0 HA LEU A 54 114.273 -7.288 -11.545 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.411 -6.772 -8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.696 -5.548 -9.735 1.00 0.00 H new ATOM 0 HG LEU A 54 112.114 -7.164 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.132 -5.149 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.429 -5.845 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 54 112.739 -4.386 -8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.235 -5.310 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 54 112.837 -4.534 -10.966 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.620 -6.104 -11.775 1.00 0.00 H new ATOM 862 N LYS A 55 116.536 -8.963 -10.201 1.00 0.00 N ATOM 863 CA LYS A 55 117.995 -9.265 -10.183 1.00 0.00 C ATOM 864 C LYS A 55 118.733 -8.351 -9.208 1.00 0.00 C ATOM 865 O LYS A 55 119.897 -8.045 -9.384 1.00 0.00 O ATOM 866 CB LYS A 55 118.465 -9.061 -11.623 1.00 0.00 C ATOM 867 CG LYS A 55 117.793 -10.098 -12.524 1.00 0.00 C ATOM 868 CD LYS A 55 118.197 -9.837 -13.973 1.00 0.00 C ATOM 869 CE LYS A 55 117.615 -10.931 -14.870 1.00 0.00 C ATOM 870 NZ LYS A 55 116.136 -10.764 -14.778 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.940 -9.751 -9.947 1.00 0.00 H new ATOM 0 HA LYS A 55 118.199 -10.279 -9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.217 -8.054 -11.960 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.549 -9.159 -11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.090 -11.104 -12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.709 -10.041 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 55 117.835 -8.860 -14.292 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.283 -9.819 -14.061 1.00 0.00 H new ATOM 0 HE2 LYS A 55 117.961 -10.823 -15.898 1.00 0.00 H new ATOM 0 HE3 LYS A 55 117.921 -11.921 -14.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 115.689 -11.151 -15.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 115.781 -11.271 -13.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 115.905 -9.753 -14.693 1.00 0.00 H new ATOM 884 N MET A 56 118.078 -7.941 -8.158 1.00 0.00 N ATOM 885 CA MET A 56 118.754 -7.082 -7.152 1.00 0.00 C ATOM 886 C MET A 56 119.795 -7.912 -6.398 1.00 0.00 C ATOM 887 O MET A 56 120.799 -7.405 -5.945 1.00 0.00 O ATOM 888 CB MET A 56 117.652 -6.615 -6.206 1.00 0.00 C ATOM 889 CG MET A 56 116.827 -5.522 -6.880 1.00 0.00 C ATOM 890 SD MET A 56 115.514 -4.991 -5.753 1.00 0.00 S ATOM 891 CE MET A 56 114.619 -3.948 -6.925 1.00 0.00 C ATOM 0 H MET A 56 117.104 -8.165 -7.955 1.00 0.00 H new ATOM 0 HA MET A 56 119.270 -6.236 -7.605 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.011 -7.454 -5.936 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.089 -6.237 -5.281 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.464 -4.677 -7.140 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.397 -5.895 -7.810 1.00 0.00 H new ATOM 0 HE1 MET A 56 113.551 -3.999 -6.715 1.00 0.00 H new ATOM 0 HE2 MET A 56 114.959 -2.917 -6.828 1.00 0.00 H new ATOM 0 HE3 MET A 56 114.807 -4.298 -7.940 1.00 0.00 H new ATOM 901 N ASP A 57 119.567 -9.192 -6.275 1.00 0.00 N ATOM 902 CA ASP A 57 120.547 -10.065 -5.566 1.00 0.00 C ATOM 903 C ASP A 57 121.844 -10.163 -6.383 1.00 0.00 C ATOM 904 O ASP A 57 122.836 -10.682 -5.907 1.00 0.00 O ATOM 905 CB ASP A 57 119.839 -11.426 -5.473 1.00 0.00 C ATOM 906 CG ASP A 57 120.619 -12.393 -4.571 1.00 0.00 C ATOM 907 OD1 ASP A 57 121.765 -12.109 -4.273 1.00 0.00 O ATOM 908 OD2 ASP A 57 120.049 -13.405 -4.196 1.00 0.00 O1- ATOM 0 H ASP A 57 118.742 -9.672 -6.636 1.00 0.00 H new ATOM 0 HA ASP A 57 120.831 -9.687 -4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 57 118.832 -11.289 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 57 119.737 -11.855 -6.470 1.00 0.00 H new ATOM 913 N ASN A 58 121.864 -9.675 -7.603 1.00 0.00 N ATOM 914 CA ASN A 58 123.122 -9.776 -8.402 1.00 0.00 C ATOM 915 C ASN A 58 124.069 -8.615 -8.081 1.00 0.00 C ATOM 916 O ASN A 58 124.127 -7.617 -8.774 1.00 0.00 O ATOM 917 CB ASN A 58 122.682 -9.754 -9.865 1.00 0.00 C ATOM 918 CG ASN A 58 123.900 -9.939 -10.767 1.00 0.00 C ATOM 919 OD1 ASN A 58 125.022 -9.746 -10.343 1.00 0.00 O ATOM 920 ND2 ASN A 58 123.725 -10.309 -12.006 1.00 0.00 N ATOM 0 H ASN A 58 121.079 -9.221 -8.070 1.00 0.00 H new ATOM 0 HA ASN A 58 123.677 -10.685 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN A 58 121.956 -10.546 -10.049 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.188 -8.810 -10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.530 -10.436 -12.619 1.00 0.00 H new ATOM 0 HD22 ASN A 58 122.783 -10.471 -12.362 1.00 0.00 H new ATOM 927 N THR A 59 124.837 -8.782 -7.039 1.00 0.00 N ATOM 928 CA THR A 59 125.837 -7.753 -6.630 1.00 0.00 C ATOM 929 C THR A 59 127.136 -8.493 -6.302 1.00 0.00 C ATOM 930 O THR A 59 127.125 -9.652 -5.938 1.00 0.00 O ATOM 931 CB THR A 59 125.238 -7.071 -5.392 1.00 0.00 C ATOM 932 OG1 THR A 59 124.018 -6.440 -5.746 1.00 0.00 O ATOM 933 CG2 THR A 59 126.210 -6.026 -4.844 1.00 0.00 C ATOM 0 H THR A 59 124.813 -9.607 -6.440 1.00 0.00 H new ATOM 0 HA THR A 59 126.054 -7.007 -7.394 1.00 0.00 H new ATOM 0 HB THR A 59 125.056 -7.823 -4.625 1.00 0.00 H new ATOM 0 HG1 THR A 59 123.633 -6.005 -4.956 1.00 0.00 H new ATOM 0 HG21 THR A 59 125.774 -5.549 -3.966 1.00 0.00 H new ATOM 0 HG22 THR A 59 127.146 -6.510 -4.567 1.00 0.00 H new ATOM 0 HG23 THR A 59 126.403 -5.273 -5.608 1.00 0.00 H new ATOM 941 N LYS A 60 128.260 -7.846 -6.466 1.00 0.00 N ATOM 942 CA LYS A 60 129.560 -8.532 -6.207 1.00 0.00 C ATOM 943 C LYS A 60 129.655 -9.002 -4.752 1.00 0.00 C ATOM 944 O LYS A 60 130.097 -10.101 -4.478 1.00 0.00 O ATOM 945 CB LYS A 60 130.633 -7.481 -6.501 1.00 0.00 C ATOM 946 CG LYS A 60 130.585 -7.089 -7.981 1.00 0.00 C ATOM 947 CD LYS A 60 131.029 -8.273 -8.844 1.00 0.00 C ATOM 948 CE LYS A 60 130.984 -7.875 -10.323 1.00 0.00 C ATOM 949 NZ LYS A 60 131.563 -9.040 -11.047 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.334 -6.874 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 60 129.674 -9.422 -6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.474 -6.601 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 60 131.618 -7.875 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 60 129.574 -6.787 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 60 131.234 -6.232 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 60 132.039 -8.578 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 60 130.378 -9.129 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 60 129.963 -7.675 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 60 131.561 -6.968 -10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 131.568 -8.846 -12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 132.537 -9.202 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 130.989 -9.886 -10.858 1.00 0.00 H new ATOM 963 N LEU A 61 129.239 -8.191 -3.818 1.00 0.00 N ATOM 964 CA LEU A 61 129.301 -8.618 -2.389 1.00 0.00 C ATOM 965 C LEU A 61 127.924 -9.107 -1.895 1.00 0.00 C ATOM 966 O LEU A 61 127.779 -9.497 -0.754 1.00 0.00 O ATOM 967 CB LEU A 61 129.740 -7.378 -1.608 1.00 0.00 C ATOM 968 CG LEU A 61 131.129 -6.932 -2.064 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.484 -5.605 -1.386 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.162 -7.992 -1.676 1.00 0.00 C ATOM 0 H LEU A 61 128.861 -7.257 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 61 129.992 -9.450 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 61 129.023 -6.571 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.753 -7.597 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 61 131.131 -6.803 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.474 -5.285 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.750 -4.848 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.481 -5.737 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.152 -7.672 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.161 -8.122 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.910 -8.938 -2.155 1.00 0.00 H new ATOM 982 N GLN A 62 126.920 -9.098 -2.745 1.00 0.00 N ATOM 983 CA GLN A 62 125.559 -9.577 -2.343 1.00 0.00 C ATOM 984 C GLN A 62 125.022 -8.813 -1.127 1.00 0.00 C ATOM 985 O GLN A 62 124.274 -9.326 -0.319 1.00 0.00 O ATOM 986 CB GLN A 62 125.735 -11.064 -2.020 1.00 0.00 C ATOM 987 CG GLN A 62 126.085 -11.816 -3.306 1.00 0.00 C ATOM 988 CD GLN A 62 126.354 -13.288 -2.985 1.00 0.00 C ATOM 989 OE1 GLN A 62 127.222 -13.602 -2.196 1.00 0.00 O ATOM 990 NE2 GLN A 62 125.642 -14.210 -3.573 1.00 0.00 N ATOM 0 H GLN A 62 126.989 -8.775 -3.710 1.00 0.00 H new ATOM 0 HA GLN A 62 124.831 -9.412 -3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.524 -11.197 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.819 -11.466 -1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.267 -11.733 -4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 62 126.963 -11.369 -3.773 1.00 0.00 H new ATOM 0 HE21 GLN A 62 124.913 -13.946 -4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 62 125.815 -15.195 -3.370 1.00 0.00 H new ATOM 999 N ASN A 63 125.393 -7.567 -1.036 1.00 0.00 N ATOM 1000 CA ASN A 63 124.924 -6.680 0.066 1.00 0.00 C ATOM 1001 C ASN A 63 123.910 -5.675 -0.490 1.00 0.00 C ATOM 1002 O ASN A 63 124.008 -4.481 -0.277 1.00 0.00 O ATOM 1003 CB ASN A 63 126.181 -5.968 0.571 1.00 0.00 C ATOM 1004 CG ASN A 63 127.074 -6.976 1.302 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.609 -8.013 1.733 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.344 -6.715 1.461 1.00 0.00 N ATOM 0 H ASN A 63 126.021 -7.113 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 63 124.431 -7.227 0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.722 -5.524 -0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.907 -5.154 1.242 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.945 -7.381 1.947 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.735 -5.845 1.100 1.00 0.00 H new ATOM 1013 N GLY A 64 122.915 -6.169 -1.179 1.00 0.00 N ATOM 1014 CA GLY A 64 121.857 -5.279 -1.732 1.00 0.00 C ATOM 1015 C GLY A 64 120.643 -5.338 -0.800 1.00 0.00 C ATOM 1016 O GLY A 64 120.311 -6.380 -0.270 1.00 0.00 O ATOM 0 H GLY A 64 122.791 -7.161 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.225 -4.256 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.580 -5.598 -2.737 1.00 0.00 H new ATOM 1020 N VAL A 65 119.981 -4.237 -0.593 1.00 0.00 N ATOM 1021 CA VAL A 65 118.792 -4.253 0.313 1.00 0.00 C ATOM 1022 C VAL A 65 117.556 -3.736 -0.428 1.00 0.00 C ATOM 1023 O VAL A 65 117.595 -2.726 -1.094 1.00 0.00 O ATOM 1024 CB VAL A 65 119.159 -3.324 1.490 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.931 -3.054 2.373 1.00 0.00 C ATOM 1026 CG2 VAL A 65 120.242 -3.986 2.342 1.00 0.00 C ATOM 0 H VAL A 65 120.205 -3.332 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 65 118.553 -5.258 0.660 1.00 0.00 H new ATOM 0 HB VAL A 65 119.520 -2.379 1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.212 -2.397 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 65 117.153 -2.577 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.556 -3.996 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.502 -3.331 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.871 -4.935 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 65 121.127 -4.165 1.731 1.00 0.00 H new ATOM 1036 N LEU A 66 116.455 -4.426 -0.303 1.00 0.00 N ATOM 1037 CA LEU A 66 115.211 -3.971 -0.980 1.00 0.00 C ATOM 1038 C LEU A 66 114.167 -3.605 0.078 1.00 0.00 C ATOM 1039 O LEU A 66 113.818 -4.410 0.921 1.00 0.00 O ATOM 1040 CB LEU A 66 114.736 -5.184 -1.787 1.00 0.00 C ATOM 1041 CG LEU A 66 113.376 -4.874 -2.424 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.528 -3.718 -3.412 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.856 -6.112 -3.160 1.00 0.00 C ATOM 0 H LEU A 66 116.365 -5.285 0.239 1.00 0.00 H new ATOM 0 HA LEU A 66 115.370 -3.097 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.465 -5.428 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.655 -6.057 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 66 112.667 -4.595 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.562 -3.497 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.892 -2.835 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.239 -3.996 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.889 -5.888 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.563 -6.396 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.745 -6.935 -2.454 1.00 0.00 H new ATOM 1055 N ILE A 67 113.664 -2.406 0.035 1.00 0.00 N ATOM 1056 CA ILE A 67 112.639 -2.018 1.043 1.00 0.00 C ATOM 1057 C ILE A 67 111.265 -1.972 0.369 1.00 0.00 C ATOM 1058 O ILE A 67 110.976 -1.083 -0.403 1.00 0.00 O ATOM 1059 CB ILE A 67 113.051 -0.637 1.555 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.481 -0.695 2.103 1.00 0.00 C ATOM 1061 CG2 ILE A 67 112.100 -0.211 2.678 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.974 0.727 2.379 1.00 0.00 C ATOM 0 H ILE A 67 113.912 -1.686 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 67 112.575 -2.727 1.868 1.00 0.00 H new ATOM 0 HB ILE A 67 113.004 0.081 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.508 -1.286 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 67 115.138 -1.187 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 67 112.390 0.773 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 67 111.080 -0.169 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 67 112.152 -0.933 3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.991 0.690 2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.961 1.303 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 67 114.322 1.203 3.111 1.00 0.00 H new ATOM 1074 N TYR A 68 110.419 -2.926 0.648 1.00 0.00 N ATOM 1075 CA TYR A 68 109.071 -2.934 0.011 1.00 0.00 C ATOM 1076 C TYR A 68 108.056 -2.247 0.921 1.00 0.00 C ATOM 1077 O TYR A 68 107.916 -2.580 2.078 1.00 0.00 O ATOM 1078 CB TYR A 68 108.716 -4.414 -0.155 1.00 0.00 C ATOM 1079 CG TYR A 68 107.355 -4.540 -0.799 1.00 0.00 C ATOM 1080 CD1 TYR A 68 106.198 -4.353 -0.033 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.248 -4.853 -2.161 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.935 -4.474 -0.627 1.00 0.00 C ATOM 1083 CE2 TYR A 68 105.985 -4.974 -2.755 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.829 -4.784 -1.989 1.00 0.00 C ATOM 1085 OH TYR A 68 103.585 -4.901 -2.574 1.00 0.00 O ATOM 0 H TYR A 68 110.602 -3.699 1.288 1.00 0.00 H new ATOM 0 HA TYR A 68 109.063 -2.402 -0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.467 -4.912 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.717 -4.910 0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.279 -4.115 1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.139 -5.001 -2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 68 104.043 -4.328 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 68 105.903 -5.214 -3.805 1.00 0.00 H new ATOM 0 HH TYR A 68 103.665 -4.767 -3.542 1.00 0.00 H new ATOM 1095 N VAL A 69 107.362 -1.276 0.404 1.00 0.00 N ATOM 1096 CA VAL A 69 106.367 -0.545 1.235 1.00 0.00 C ATOM 1097 C VAL A 69 104.968 -0.660 0.617 1.00 0.00 C ATOM 1098 O VAL A 69 104.771 -0.464 -0.566 1.00 0.00 O ATOM 1099 CB VAL A 69 106.850 0.912 1.231 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.808 1.813 1.906 1.00 0.00 C ATOM 1101 CG2 VAL A 69 108.176 1.013 1.990 1.00 0.00 C ATOM 0 H VAL A 69 107.440 -0.955 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 69 106.292 -0.947 2.246 1.00 0.00 H new ATOM 0 HB VAL A 69 106.991 1.237 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 69 106.160 2.845 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.864 1.747 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.659 1.488 2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.519 2.048 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 69 108.033 0.681 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.921 0.382 1.506 1.00 0.00 H new ATOM 1111 N ALA A 70 103.999 -0.971 1.432 1.00 0.00 N ATOM 1112 CA ALA A 70 102.601 -1.097 0.942 1.00 0.00 C ATOM 1113 C ALA A 70 101.817 0.161 1.316 1.00 0.00 C ATOM 1114 O ALA A 70 101.274 0.264 2.396 1.00 0.00 O ATOM 1115 CB ALA A 70 102.037 -2.308 1.683 1.00 0.00 C ATOM 0 H ALA A 70 104.120 -1.145 2.430 1.00 0.00 H new ATOM 0 HA ALA A 70 102.541 -1.214 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 70 101.003 -2.472 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.631 -3.190 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 70 102.074 -2.127 2.757 1.00 0.00 H new ATOM 1121 N VAL A 71 101.770 1.124 0.443 1.00 0.00 N ATOM 1122 CA VAL A 71 101.036 2.385 0.764 1.00 0.00 C ATOM 1123 C VAL A 71 99.535 2.120 0.930 1.00 0.00 C ATOM 1124 O VAL A 71 98.847 2.872 1.593 1.00 0.00 O ATOM 1125 CB VAL A 71 101.291 3.320 -0.418 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.777 3.665 -0.483 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.882 2.621 -1.715 1.00 0.00 C ATOM 0 H VAL A 71 102.206 1.097 -0.479 1.00 0.00 H new ATOM 0 HA VAL A 71 101.379 2.818 1.704 1.00 0.00 H new ATOM 0 HB VAL A 71 100.708 4.232 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.959 4.332 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 71 103.077 4.159 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 71 103.357 2.751 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 71 101.063 3.286 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 71 101.468 1.710 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.823 2.368 -1.673 1.00 0.00 H new ATOM 1137 N GLU A 72 99.014 1.061 0.359 1.00 0.00 N ATOM 1138 CA GLU A 72 97.556 0.783 0.534 1.00 0.00 C ATOM 1139 C GLU A 72 97.301 0.418 2.000 1.00 0.00 C ATOM 1140 O GLU A 72 96.370 0.896 2.615 1.00 0.00 O ATOM 1141 CB GLU A 72 97.258 -0.405 -0.381 1.00 0.00 C ATOM 1142 CG GLU A 72 95.756 -0.713 -0.357 1.00 0.00 C ATOM 1143 CD GLU A 72 94.966 0.414 -1.034 1.00 0.00 C ATOM 1144 OE1 GLU A 72 95.588 1.278 -1.629 1.00 0.00 O1- ATOM 1145 OE2 GLU A 72 93.747 0.389 -0.945 1.00 0.00 O ATOM 0 H GLU A 72 99.526 0.388 -0.211 1.00 0.00 H new ATOM 0 HA GLU A 72 96.924 1.636 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.577 -0.181 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 72 97.823 -1.278 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 72 95.564 -1.657 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 72 95.420 -0.833 0.673 1.00 0.00 H new ATOM 1152 N ASP A 73 98.135 -0.407 2.570 1.00 0.00 N ATOM 1153 CA ASP A 73 97.951 -0.778 4.005 1.00 0.00 C ATOM 1154 C ASP A 73 98.918 0.020 4.898 1.00 0.00 C ATOM 1155 O ASP A 73 99.035 -0.241 6.080 1.00 0.00 O ATOM 1156 CB ASP A 73 98.256 -2.274 4.080 1.00 0.00 C ATOM 1157 CG ASP A 73 97.129 -3.055 3.401 1.00 0.00 C ATOM 1158 OD1 ASP A 73 96.036 -2.520 3.313 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 97.374 -4.178 2.993 1.00 0.00 O ATOM 0 H ASP A 73 98.934 -0.840 2.108 1.00 0.00 H new ATOM 0 HA ASP A 73 96.944 -0.554 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.207 -2.488 3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.354 -2.585 5.120 1.00 0.00 H new ATOM 1164 N LYS A 74 99.611 0.990 4.349 1.00 0.00 N ATOM 1165 CA LYS A 74 100.564 1.790 5.170 1.00 0.00 C ATOM 1166 C LYS A 74 101.510 0.865 5.949 1.00 0.00 C ATOM 1167 O LYS A 74 101.769 1.066 7.120 1.00 0.00 O ATOM 1168 CB LYS A 74 99.689 2.607 6.121 1.00 0.00 C ATOM 1169 CG LYS A 74 100.252 4.027 6.216 1.00 0.00 C ATOM 1170 CD LYS A 74 99.318 4.913 7.046 1.00 0.00 C ATOM 1171 CE LYS A 74 99.898 6.329 7.110 1.00 0.00 C ATOM 1172 NZ LYS A 74 98.901 7.125 7.876 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.555 1.259 3.367 1.00 0.00 H new ATOM 0 HA LYS A 74 101.196 2.432 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.661 2.632 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.669 2.143 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.242 4.004 6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.370 4.447 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.324 4.934 6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.208 4.506 8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 74 100.870 6.335 7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.046 6.739 6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.232 8.107 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 97.988 7.108 7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 98.786 6.716 8.825 1.00 0.00 H new ATOM 1186 N THR A 75 102.024 -0.148 5.301 1.00 0.00 N ATOM 1187 CA THR A 75 102.955 -1.096 5.993 1.00 0.00 C ATOM 1188 C THR A 75 104.300 -1.111 5.258 1.00 0.00 C ATOM 1189 O THR A 75 104.416 -0.621 4.152 1.00 0.00 O ATOM 1190 CB THR A 75 102.288 -2.483 5.918 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.365 -2.966 4.583 1.00 0.00 O ATOM 1192 CG2 THR A 75 100.815 -2.404 6.344 1.00 0.00 C ATOM 0 H THR A 75 101.840 -0.362 4.321 1.00 0.00 H new ATOM 0 HA THR A 75 103.140 -0.806 7.027 1.00 0.00 H new ATOM 0 HB THR A 75 102.810 -3.159 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.944 -3.849 4.530 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.365 -3.395 6.283 1.00 0.00 H new ATOM 0 HG22 THR A 75 100.752 -2.039 7.369 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.281 -1.722 5.683 1.00 0.00 H new ATOM 1200 N PHE A 76 105.321 -1.663 5.862 1.00 0.00 N ATOM 1201 CA PHE A 76 106.657 -1.698 5.196 1.00 0.00 C ATOM 1202 C PHE A 76 107.400 -2.994 5.549 1.00 0.00 C ATOM 1203 O PHE A 76 107.409 -3.426 6.684 1.00 0.00 O ATOM 1204 CB PHE A 76 107.403 -0.492 5.774 1.00 0.00 C ATOM 1205 CG PHE A 76 107.511 -0.644 7.274 1.00 0.00 C ATOM 1206 CD1 PHE A 76 106.460 -0.223 8.098 1.00 0.00 C ATOM 1207 CD2 PHE A 76 108.654 -1.224 7.840 1.00 0.00 C ATOM 1208 CE1 PHE A 76 106.552 -0.380 9.485 1.00 0.00 C ATOM 1209 CE2 PHE A 76 108.745 -1.382 9.228 1.00 0.00 C ATOM 1210 CZ PHE A 76 107.693 -0.961 10.052 1.00 0.00 C ATOM 0 H PHE A 76 105.287 -2.091 6.787 1.00 0.00 H new ATOM 0 HA PHE A 76 106.578 -1.664 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.397 -0.418 5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.875 0.429 5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 76 105.578 0.223 7.663 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.465 -1.549 7.205 1.00 0.00 H new ATOM 0 HE1 PHE A 76 105.742 -0.053 10.120 1.00 0.00 H new ATOM 0 HE2 PHE A 76 109.626 -1.829 9.664 1.00 0.00 H new ATOM 0 HZ PHE A 76 107.762 -1.084 11.123 1.00 0.00 H new ATOM 1220 N VAL A 77 108.046 -3.600 4.591 1.00 0.00 N ATOM 1221 CA VAL A 77 108.811 -4.848 4.869 1.00 0.00 C ATOM 1222 C VAL A 77 110.236 -4.661 4.343 1.00 0.00 C ATOM 1223 O VAL A 77 110.424 -4.175 3.244 1.00 0.00 O ATOM 1224 CB VAL A 77 108.073 -5.947 4.091 1.00 0.00 C ATOM 1225 CG1 VAL A 77 108.906 -7.235 4.053 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.737 -6.233 4.778 1.00 0.00 C ATOM 0 H VAL A 77 108.077 -3.282 3.622 1.00 0.00 H new ATOM 0 HA VAL A 77 108.875 -5.097 5.928 1.00 0.00 H new ATOM 0 HB VAL A 77 107.908 -5.606 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.366 -8.001 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 77 109.860 -7.037 3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.085 -7.583 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.206 -7.013 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 77 106.917 -6.565 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.134 -5.325 4.792 1.00 0.00 H new ATOM 1236 N ILE A 78 111.240 -5.036 5.090 1.00 0.00 N ATOM 1237 CA ILE A 78 112.628 -4.863 4.577 1.00 0.00 C ATOM 1238 C ILE A 78 113.281 -6.242 4.359 1.00 0.00 C ATOM 1239 O ILE A 78 113.381 -7.051 5.260 1.00 0.00 O ATOM 1240 CB ILE A 78 113.352 -4.042 5.654 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.589 -2.734 5.889 1.00 0.00 C ATOM 1242 CG2 ILE A 78 114.766 -3.697 5.181 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.196 -1.992 7.081 1.00 0.00 C ATOM 0 H ILE A 78 111.161 -5.449 6.019 1.00 0.00 H new ATOM 0 HA ILE A 78 112.667 -4.355 3.613 1.00 0.00 H new ATOM 0 HB ILE A 78 113.401 -4.626 6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 78 112.635 -2.109 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.536 -2.944 6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.275 -3.115 5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.322 -4.616 4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 78 114.710 -3.114 4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.652 -1.062 7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.127 -2.616 7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.243 -1.768 6.876 1.00 0.00 H new ATOM 1255 N TYR A 79 113.706 -6.509 3.152 1.00 0.00 N ATOM 1256 CA TYR A 79 114.343 -7.826 2.836 1.00 0.00 C ATOM 1257 C TYR A 79 115.686 -7.601 2.129 1.00 0.00 C ATOM 1258 O TYR A 79 115.735 -7.118 1.016 1.00 0.00 O ATOM 1259 CB TYR A 79 113.348 -8.536 1.906 1.00 0.00 C ATOM 1260 CG TYR A 79 113.801 -9.960 1.659 1.00 0.00 C ATOM 1261 CD1 TYR A 79 113.640 -10.929 2.659 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.381 -10.312 0.431 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.060 -12.248 2.432 1.00 0.00 C ATOM 1264 CE2 TYR A 79 114.800 -11.630 0.206 1.00 0.00 C ATOM 1265 CZ TYR A 79 114.641 -12.599 1.204 1.00 0.00 C ATOM 1266 OH TYR A 79 115.059 -13.902 0.971 1.00 0.00 O ATOM 0 H TYR A 79 113.639 -5.866 2.363 1.00 0.00 H new ATOM 0 HA TYR A 79 114.550 -8.415 3.729 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.354 -8.534 2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.274 -7.999 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 79 113.193 -10.660 3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.505 -9.567 -0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 79 113.936 -12.994 3.203 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.247 -11.899 -0.740 1.00 0.00 H new ATOM 0 HH TYR A 79 115.437 -13.968 0.069 1.00 0.00 H new ATOM 1276 N GLY A 80 116.777 -7.936 2.772 1.00 0.00 N ATOM 1277 CA GLY A 80 118.110 -7.728 2.136 1.00 0.00 C ATOM 1278 C GLY A 80 118.621 -9.044 1.551 1.00 0.00 C ATOM 1279 O GLY A 80 118.014 -10.086 1.699 1.00 0.00 O ATOM 0 H GLY A 80 116.800 -8.343 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.034 -6.976 1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 80 118.818 -7.349 2.872 1.00 0.00 H new ATOM 1283 N ASP A 81 119.737 -8.993 0.876 1.00 0.00 N ATOM 1284 CA ASP A 81 120.296 -10.229 0.260 1.00 0.00 C ATOM 1285 C ASP A 81 121.057 -11.050 1.309 1.00 0.00 C ATOM 1286 O ASP A 81 121.234 -10.629 2.436 1.00 0.00 O ATOM 1287 CB ASP A 81 121.237 -9.724 -0.834 1.00 0.00 C ATOM 1288 CG ASP A 81 121.700 -10.887 -1.714 1.00 0.00 C ATOM 1289 OD1 ASP A 81 121.142 -11.966 -1.586 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 122.610 -10.680 -2.499 1.00 0.00 O ATOM 0 H ASP A 81 120.286 -8.147 0.725 1.00 0.00 H new ATOM 0 HA ASP A 81 119.523 -10.885 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 81 120.729 -8.977 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.100 -9.234 -0.383 1.00 0.00 H new ATOM 1295 N LYS A 82 121.504 -12.219 0.946 1.00 0.00 N ATOM 1296 CA LYS A 82 122.247 -13.074 1.913 1.00 0.00 C ATOM 1297 C LYS A 82 123.501 -12.354 2.403 1.00 0.00 C ATOM 1298 O LYS A 82 124.009 -12.629 3.470 1.00 0.00 O ATOM 1299 CB LYS A 82 122.626 -14.327 1.128 1.00 0.00 C ATOM 1300 CG LYS A 82 123.285 -15.343 2.062 1.00 0.00 C ATOM 1301 CD LYS A 82 123.621 -16.609 1.272 1.00 0.00 C ATOM 1302 CE LYS A 82 124.260 -17.644 2.202 1.00 0.00 C ATOM 1303 NZ LYS A 82 124.512 -18.833 1.341 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.386 -12.621 0.016 1.00 0.00 H new ATOM 0 HA LYS A 82 121.650 -13.309 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 82 121.738 -14.763 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.308 -14.068 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 82 124.191 -14.921 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 82 122.616 -15.583 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.717 -17.019 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 82 124.303 -16.370 0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 82 125.187 -17.267 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 82 123.598 -17.891 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 124.950 -19.586 1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 123.612 -19.174 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 125.151 -18.570 0.564 1.00 0.00 H new ATOM 1317 N GLY A 83 124.020 -11.449 1.620 1.00 0.00 N ATOM 1318 CA GLY A 83 125.254 -10.738 2.040 1.00 0.00 C ATOM 1319 C GLY A 83 124.977 -9.892 3.281 1.00 0.00 C ATOM 1320 O GLY A 83 125.660 -10.022 4.280 1.00 0.00 O ATOM 0 H GLY A 83 123.644 -11.174 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.044 -11.459 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 83 125.610 -10.102 1.229 1.00 0.00 H new ATOM 1324 N ILE A 84 123.978 -9.043 3.255 1.00 0.00 N ATOM 1325 CA ILE A 84 123.692 -8.229 4.471 1.00 0.00 C ATOM 1326 C ILE A 84 123.254 -9.185 5.582 1.00 0.00 C ATOM 1327 O ILE A 84 123.654 -9.070 6.719 1.00 0.00 O ATOM 1328 CB ILE A 84 122.535 -7.302 4.086 1.00 0.00 C ATOM 1329 CG1 ILE A 84 122.984 -6.320 2.997 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.090 -6.518 5.323 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.061 -6.466 1.786 1.00 0.00 C ATOM 0 H ILE A 84 123.361 -8.882 2.459 1.00 0.00 H new ATOM 0 HA ILE A 84 124.553 -7.656 4.816 1.00 0.00 H new ATOM 0 HB ILE A 84 121.707 -7.900 3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 84 122.951 -5.298 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.016 -6.521 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.266 -5.856 5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 84 121.762 -7.213 6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 84 122.925 -5.926 5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.372 -5.772 1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 84 122.117 -7.486 1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.035 -6.244 2.081 1.00 0.00 H new ATOM 1343 N ASN A 85 122.393 -10.104 5.260 1.00 0.00 N ATOM 1344 CA ASN A 85 121.869 -11.039 6.293 1.00 0.00 C ATOM 1345 C ASN A 85 122.987 -11.893 6.892 1.00 0.00 C ATOM 1346 O ASN A 85 122.976 -12.208 8.064 1.00 0.00 O ATOM 1347 CB ASN A 85 120.854 -11.910 5.552 1.00 0.00 C ATOM 1348 CG ASN A 85 119.594 -11.090 5.264 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.396 -10.039 5.840 1.00 0.00 O ATOM 1350 ND2 ASN A 85 118.726 -11.528 4.394 1.00 0.00 N ATOM 0 H ASN A 85 122.026 -10.250 4.320 1.00 0.00 H new ATOM 0 HA ASN A 85 121.422 -10.506 7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.284 -12.276 4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 85 120.603 -12.785 6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 85 117.883 -10.988 4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 85 118.890 -12.410 3.909 1.00 0.00 H new ATOM 1357 N ASP A 86 123.943 -12.281 6.102 1.00 0.00 N ATOM 1358 CA ASP A 86 125.060 -13.125 6.616 1.00 0.00 C ATOM 1359 C ASP A 86 126.078 -12.296 7.414 1.00 0.00 C ATOM 1360 O ASP A 86 126.820 -12.827 8.215 1.00 0.00 O ATOM 1361 CB ASP A 86 125.708 -13.684 5.342 1.00 0.00 C ATOM 1362 CG ASP A 86 126.789 -14.707 5.695 1.00 0.00 C ATOM 1363 OD1 ASP A 86 127.109 -14.826 6.865 1.00 0.00 O ATOM 1364 OD2 ASP A 86 127.274 -15.360 4.784 1.00 0.00 O1- ATOM 0 H ASP A 86 124.002 -12.049 5.111 1.00 0.00 H new ATOM 0 HA ASP A 86 124.710 -13.898 7.300 1.00 0.00 H new ATOM 0 HB2 ASP A 86 124.948 -14.151 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 86 126.144 -12.871 4.762 1.00 0.00 H new ATOM 1369 N VAL A 87 126.145 -11.007 7.187 1.00 0.00 N ATOM 1370 CA VAL A 87 127.150 -10.180 7.923 1.00 0.00 C ATOM 1371 C VAL A 87 126.524 -9.369 9.080 1.00 0.00 C ATOM 1372 O VAL A 87 127.212 -9.003 10.015 1.00 0.00 O ATOM 1373 CB VAL A 87 127.741 -9.260 6.849 1.00 0.00 C ATOM 1374 CG1 VAL A 87 126.686 -8.260 6.383 1.00 0.00 C ATOM 1375 CG2 VAL A 87 128.944 -8.506 7.417 1.00 0.00 C ATOM 0 H VAL A 87 125.554 -10.496 6.531 1.00 0.00 H new ATOM 0 HA VAL A 87 127.903 -10.803 8.407 1.00 0.00 H new ATOM 0 HB VAL A 87 128.062 -9.866 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.113 -7.610 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 87 125.834 -8.797 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.356 -7.658 7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.360 -7.854 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.628 -7.906 8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.703 -9.220 7.737 1.00 0.00 H new ATOM 1385 N VAL A 88 125.245 -9.076 9.042 1.00 0.00 N ATOM 1386 CA VAL A 88 124.641 -8.282 10.166 1.00 0.00 C ATOM 1387 C VAL A 88 123.543 -9.078 10.891 1.00 0.00 C ATOM 1388 O VAL A 88 123.089 -10.101 10.421 1.00 0.00 O ATOM 1389 CB VAL A 88 124.055 -7.017 9.530 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.133 -6.300 8.716 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.873 -7.373 8.621 1.00 0.00 C ATOM 0 H VAL A 88 124.602 -9.345 8.298 1.00 0.00 H new ATOM 0 HA VAL A 88 125.395 -8.043 10.916 1.00 0.00 H new ATOM 0 HB VAL A 88 123.702 -6.359 10.324 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.711 -5.401 8.266 1.00 0.00 H new ATOM 0 HG12 VAL A 88 125.960 -6.024 9.370 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.497 -6.963 7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.468 -6.463 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.211 -8.043 7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.098 -7.866 9.208 1.00 0.00 H new ATOM 1401 N SER A 89 123.144 -8.628 12.054 1.00 0.00 N ATOM 1402 CA SER A 89 122.107 -9.372 12.838 1.00 0.00 C ATOM 1403 C SER A 89 120.764 -8.619 12.902 1.00 0.00 C ATOM 1404 O SER A 89 120.610 -7.539 12.359 1.00 0.00 O ATOM 1405 CB SER A 89 122.712 -9.497 14.240 1.00 0.00 C ATOM 1406 OG SER A 89 122.370 -8.355 15.016 1.00 0.00 O ATOM 0 H SER A 89 123.491 -7.777 12.496 1.00 0.00 H new ATOM 0 HA SER A 89 121.878 -10.333 12.377 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.344 -10.401 14.725 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.796 -9.590 14.171 1.00 0.00 H new ATOM 0 HG SER A 89 122.758 -8.440 15.912 1.00 0.00 H new ATOM 1412 N ASP A 90 119.795 -9.183 13.585 1.00 0.00 N ATOM 1413 CA ASP A 90 118.467 -8.506 13.721 1.00 0.00 C ATOM 1414 C ASP A 90 118.631 -7.193 14.484 1.00 0.00 C ATOM 1415 O ASP A 90 117.962 -6.216 14.212 1.00 0.00 O ATOM 1416 CB ASP A 90 117.594 -9.473 14.525 1.00 0.00 C ATOM 1417 CG ASP A 90 116.954 -10.510 13.594 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.104 -10.377 12.390 1.00 0.00 O ATOM 1419 OD2 ASP A 90 116.320 -11.419 14.105 1.00 0.00 O1- ATOM 0 H ASP A 90 119.868 -10.085 14.055 1.00 0.00 H new ATOM 0 HA ASP A 90 118.026 -8.273 12.752 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.197 -9.976 15.281 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.817 -8.920 15.053 1.00 0.00 H new ATOM 1424 N ASP A 91 119.517 -7.161 15.442 1.00 0.00 N ATOM 1425 CA ASP A 91 119.723 -5.906 16.215 1.00 0.00 C ATOM 1426 C ASP A 91 120.205 -4.812 15.261 1.00 0.00 C ATOM 1427 O ASP A 91 119.802 -3.671 15.355 1.00 0.00 O ATOM 1428 CB ASP A 91 120.789 -6.241 17.263 1.00 0.00 C ATOM 1429 CG ASP A 91 120.139 -6.918 18.479 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.923 -7.026 18.502 1.00 0.00 O1- ATOM 1431 OD2 ASP A 91 120.875 -7.333 19.360 1.00 0.00 O ATOM 0 H ASP A 91 120.104 -7.947 15.721 1.00 0.00 H new ATOM 0 HA ASP A 91 118.813 -5.544 16.694 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.542 -6.899 16.830 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.302 -5.331 17.575 1.00 0.00 H new ATOM 1436 N PHE A 92 121.041 -5.160 14.320 1.00 0.00 N ATOM 1437 CA PHE A 92 121.519 -4.147 13.336 1.00 0.00 C ATOM 1438 C PHE A 92 120.365 -3.740 12.415 1.00 0.00 C ATOM 1439 O PHE A 92 120.336 -2.652 11.875 1.00 0.00 O ATOM 1440 CB PHE A 92 122.650 -4.829 12.566 1.00 0.00 C ATOM 1441 CG PHE A 92 123.096 -3.973 11.405 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.032 -2.955 11.607 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.593 -4.219 10.122 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.464 -2.179 10.526 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.029 -3.449 9.039 1.00 0.00 C ATOM 1446 CZ PHE A 92 123.966 -2.428 9.241 1.00 0.00 C ATOM 0 H PHE A 92 121.413 -6.101 14.190 1.00 0.00 H new ATOM 0 HA PHE A 92 121.875 -3.232 13.810 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.492 -5.013 13.233 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.315 -5.800 12.201 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.421 -2.768 12.597 1.00 0.00 H new ATOM 0 HD2 PHE A 92 121.868 -5.004 9.968 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.182 -1.388 10.683 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.644 -3.641 8.049 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.305 -1.833 8.406 1.00 0.00 H new ATOM 1456 N TRP A 93 119.409 -4.615 12.244 1.00 0.00 N ATOM 1457 CA TRP A 93 118.241 -4.302 11.369 1.00 0.00 C ATOM 1458 C TRP A 93 117.163 -3.555 12.166 1.00 0.00 C ATOM 1459 O TRP A 93 116.352 -2.827 11.627 1.00 0.00 O ATOM 1460 CB TRP A 93 117.711 -5.670 10.925 1.00 0.00 C ATOM 1461 CG TRP A 93 118.286 -6.041 9.594 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.571 -6.392 9.371 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.612 -6.120 8.307 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.731 -6.675 8.027 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.551 -6.520 7.325 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.290 -5.882 7.903 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.185 -6.676 5.984 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 115.917 -6.039 6.563 1.00 0.00 C ATOM 1469 CH2 TRP A 93 116.861 -6.435 5.604 1.00 0.00 C ATOM 0 H TRP A 93 119.387 -5.539 12.676 1.00 0.00 H new ATOM 0 HA TRP A 93 118.515 -3.667 10.527 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.971 -6.427 11.665 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.623 -5.644 10.865 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.347 -6.443 10.120 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.614 -6.963 7.605 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.554 -5.575 8.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 118.917 -6.979 5.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 114.895 -5.854 6.265 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.565 -6.554 4.572 1.00 0.00 H new ATOM 1480 N ASP A 94 117.121 -3.790 13.448 1.00 0.00 N ATOM 1481 CA ASP A 94 116.064 -3.171 14.300 1.00 0.00 C ATOM 1482 C ASP A 94 116.023 -1.647 14.151 1.00 0.00 C ATOM 1483 O ASP A 94 114.955 -1.064 14.120 1.00 0.00 O ATOM 1484 CB ASP A 94 116.437 -3.562 15.734 1.00 0.00 C ATOM 1485 CG ASP A 94 115.380 -3.047 16.717 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.498 -2.320 16.290 1.00 0.00 O ATOM 1487 OD2 ASP A 94 115.474 -3.389 17.886 1.00 0.00 O1- ATOM 0 H ASP A 94 117.779 -4.389 13.947 1.00 0.00 H new ATOM 0 HA ASP A 94 115.072 -3.519 14.013 1.00 0.00 H new ATOM 0 HB2 ASP A 94 116.520 -4.646 15.813 1.00 0.00 H new ATOM 0 HB3 ASP A 94 117.413 -3.149 15.989 1.00 0.00 H new ATOM 1492 N THR A 95 117.150 -0.987 14.090 1.00 0.00 N ATOM 1493 CA THR A 95 117.109 0.503 13.984 1.00 0.00 C ATOM 1494 C THR A 95 116.456 0.908 12.658 1.00 0.00 C ATOM 1495 O THR A 95 115.785 1.917 12.552 1.00 0.00 O ATOM 1496 CB THR A 95 118.568 0.952 14.039 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.276 0.374 12.950 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.194 0.488 15.353 1.00 0.00 C ATOM 0 H THR A 95 118.081 -1.404 14.108 1.00 0.00 H new ATOM 0 HA THR A 95 116.525 0.964 14.780 1.00 0.00 H new ATOM 0 HB THR A 95 118.619 2.039 13.976 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.213 0.660 12.980 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.235 0.808 15.393 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.648 0.924 16.190 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.146 -0.599 15.415 1.00 0.00 H new ATOM 1506 N THR A 96 116.665 0.101 11.654 1.00 0.00 N ATOM 1507 CA THR A 96 116.091 0.368 10.297 1.00 0.00 C ATOM 1508 C THR A 96 114.568 0.454 10.351 1.00 0.00 C ATOM 1509 O THR A 96 113.949 1.374 9.846 1.00 0.00 O ATOM 1510 CB THR A 96 116.463 -0.892 9.505 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.827 -1.204 9.745 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.256 -0.644 8.008 1.00 0.00 C ATOM 0 H THR A 96 117.221 -0.752 11.715 1.00 0.00 H new ATOM 0 HA THR A 96 116.460 1.303 9.875 1.00 0.00 H new ATOM 0 HB THR A 96 115.830 -1.721 9.822 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.115 -1.907 9.127 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.522 -1.542 7.450 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.211 -0.397 7.821 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.888 0.184 7.686 1.00 0.00 H new ATOM 1520 N ARG A 97 113.970 -0.526 10.975 1.00 0.00 N ATOM 1521 CA ARG A 97 112.486 -0.571 11.097 1.00 0.00 C ATOM 1522 C ARG A 97 111.945 0.534 12.002 1.00 0.00 C ATOM 1523 O ARG A 97 110.895 1.088 11.741 1.00 0.00 O ATOM 1524 CB ARG A 97 112.191 -1.928 11.719 1.00 0.00 C ATOM 1525 CG ARG A 97 112.452 -3.025 10.696 1.00 0.00 C ATOM 1526 CD ARG A 97 112.172 -4.376 11.346 1.00 0.00 C ATOM 1527 NE ARG A 97 112.424 -5.380 10.282 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.388 -6.646 10.576 1.00 0.00 C ATOM 1529 NH1 ARG A 97 111.339 -7.142 11.172 1.00 0.00 N ATOM 1530 NH2 ARG A 97 113.404 -7.412 10.286 1.00 0.00 N1+ ATOM 0 H ARG A 97 114.456 -1.309 11.412 1.00 0.00 H new ATOM 0 HA ARG A 97 112.013 -0.425 10.126 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.817 -2.080 12.598 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.155 -1.968 12.054 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.815 -2.887 9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.484 -2.980 10.348 1.00 0.00 H new ATOM 0 HD2 ARG A 97 112.822 -4.542 12.205 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.145 -4.434 11.707 1.00 0.00 H new ATOM 0 HE ARG A 97 112.624 -5.079 9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 97 110.551 -6.537 11.405 1.00 0.00 H new ATOM 0 HH12 ARG A 97 111.306 -8.135 11.405 1.00 0.00 H new ATOM 0 HH21 ARG A 97 114.226 -7.017 9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 97 113.376 -8.405 10.517 1.00 0.00 H new ATOM 1544 N ASN A 98 112.622 0.842 13.074 1.00 0.00 N ATOM 1545 CA ASN A 98 112.093 1.896 13.986 1.00 0.00 C ATOM 1546 C ASN A 98 112.042 3.247 13.267 1.00 0.00 C ATOM 1547 O ASN A 98 111.080 3.979 13.389 1.00 0.00 O ATOM 1548 CB ASN A 98 113.059 1.935 15.168 1.00 0.00 C ATOM 1549 CG ASN A 98 112.828 0.713 16.058 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.765 0.124 16.038 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.790 0.295 16.834 1.00 0.00 N ATOM 0 H ASN A 98 113.506 0.417 13.356 1.00 0.00 H new ATOM 0 HA ASN A 98 111.076 1.682 14.314 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.088 1.947 14.810 1.00 0.00 H new ATOM 0 HB3 ASN A 98 112.910 2.849 15.742 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.650 -0.526 17.423 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.682 0.789 16.851 1.00 0.00 H new ATOM 1558 N ALA A 99 113.057 3.594 12.521 1.00 0.00 N ATOM 1559 CA ALA A 99 113.040 4.906 11.807 1.00 0.00 C ATOM 1560 C ALA A 99 111.894 4.974 10.798 1.00 0.00 C ATOM 1561 O ALA A 99 111.121 5.913 10.788 1.00 0.00 O ATOM 1562 CB ALA A 99 114.373 4.960 11.063 1.00 0.00 C ATOM 0 H ALA A 99 113.894 3.029 12.375 1.00 0.00 H new ATOM 0 HA ALA A 99 112.901 5.735 12.501 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.443 5.896 10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.192 4.900 11.779 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.436 4.122 10.368 1.00 0.00 H new ATOM 1568 N ILE A 100 111.770 3.990 9.951 1.00 0.00 N ATOM 1569 CA ILE A 100 110.668 4.016 8.951 1.00 0.00 C ATOM 1570 C ILE A 100 109.322 3.881 9.658 1.00 0.00 C ATOM 1571 O ILE A 100 108.374 4.564 9.342 1.00 0.00 O ATOM 1572 CB ILE A 100 110.935 2.821 8.030 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.221 3.083 7.241 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.776 2.650 7.037 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.688 1.787 6.577 1.00 0.00 C ATOM 0 H ILE A 100 112.380 3.174 9.908 1.00 0.00 H new ATOM 0 HA ILE A 100 110.633 4.949 8.389 1.00 0.00 H new ATOM 0 HB ILE A 100 111.031 1.918 8.633 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.046 3.848 6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 100 112.997 3.463 7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 100 109.976 1.798 6.387 1.00 0.00 H new ATOM 0 HG22 ILE A 100 108.850 2.479 7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.679 3.552 6.433 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.603 1.975 6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 100 112.880 1.035 7.342 1.00 0.00 H new ATOM 0 HD13 ILE A 100 111.914 1.426 5.899 1.00 0.00 H new ATOM 1587 N GLN A 101 109.242 3.000 10.617 1.00 0.00 N ATOM 1588 CA GLN A 101 107.958 2.799 11.352 1.00 0.00 C ATOM 1589 C GLN A 101 107.544 4.068 12.109 1.00 0.00 C ATOM 1590 O GLN A 101 106.398 4.468 12.078 1.00 0.00 O ATOM 1591 CB GLN A 101 108.251 1.656 12.330 1.00 0.00 C ATOM 1592 CG GLN A 101 107.008 1.367 13.173 1.00 0.00 C ATOM 1593 CD GLN A 101 107.307 0.241 14.170 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.168 0.377 15.017 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.626 -0.873 14.106 1.00 0.00 N ATOM 0 H GLN A 101 110.013 2.408 10.925 1.00 0.00 H new ATOM 0 HA GLN A 101 107.133 2.571 10.677 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.546 0.762 11.781 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.087 1.923 12.977 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.702 2.267 13.707 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.177 1.082 12.527 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.903 -0.989 13.396 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.818 -1.626 14.766 1.00 0.00 H new ATOM 1604 N LEU A 102 108.453 4.697 12.796 1.00 0.00 N ATOM 1605 CA LEU A 102 108.086 5.921 13.570 1.00 0.00 C ATOM 1606 C LEU A 102 107.582 7.044 12.652 1.00 0.00 C ATOM 1607 O LEU A 102 106.613 7.722 12.956 1.00 0.00 O ATOM 1608 CB LEU A 102 109.381 6.329 14.283 1.00 0.00 C ATOM 1609 CG LEU A 102 109.079 7.257 15.471 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.506 8.581 14.961 1.00 0.00 C ATOM 1611 CD2 LEU A 102 108.069 6.593 16.414 1.00 0.00 C ATOM 0 H LEU A 102 109.433 4.421 12.858 1.00 0.00 H new ATOM 0 HA LEU A 102 107.270 5.730 14.267 1.00 0.00 H new ATOM 0 HB2 LEU A 102 109.904 5.440 14.634 1.00 0.00 H new ATOM 0 HB3 LEU A 102 110.045 6.833 13.581 1.00 0.00 H new ATOM 0 HG LEU A 102 110.005 7.447 16.014 1.00 0.00 H new ATOM 0 HD11 LEU A 102 108.294 9.235 15.807 1.00 0.00 H new ATOM 0 HD12 LEU A 102 109.230 9.062 14.303 1.00 0.00 H new ATOM 0 HD13 LEU A 102 107.585 8.391 14.409 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.862 7.258 17.252 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.144 6.392 15.873 1.00 0.00 H new ATOM 0 HD23 LEU A 102 108.482 5.656 16.788 1.00 0.00 H new ATOM 1623 N GLN A 103 108.215 7.239 11.527 1.00 0.00 N ATOM 1624 CA GLN A 103 107.742 8.319 10.614 1.00 0.00 C ATOM 1625 C GLN A 103 106.471 7.843 9.907 1.00 0.00 C ATOM 1626 O GLN A 103 105.533 8.592 9.712 1.00 0.00 O ATOM 1627 CB GLN A 103 108.886 8.574 9.642 1.00 0.00 C ATOM 1628 CG GLN A 103 109.112 10.079 9.516 1.00 0.00 C ATOM 1629 CD GLN A 103 109.615 10.634 10.851 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.001 11.647 11.401 1.00 0.00 O flip ATOM 1631 NE2 GLN A 103 110.581 10.142 11.399 1.00 0.00 N flip ATOM 0 H GLN A 103 109.024 6.708 11.204 1.00 0.00 H new ATOM 0 HA GLN A 103 107.489 9.243 11.134 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.795 8.086 9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.653 8.146 8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 103 109.837 10.284 8.729 1.00 0.00 H new ATOM 0 HG3 GLN A 103 108.184 10.574 9.231 1.00 0.00 H new ATOM 0 HE21 GLN A 103 111.062 9.351 10.971 1.00 0.00 H new ATOM 0 HE22 GLN A 103 110.911 10.520 12.287 1.00 0.00 H new ATOM 1640 N PHE A 104 106.428 6.587 9.552 1.00 0.00 N ATOM 1641 CA PHE A 104 105.206 6.043 8.896 1.00 0.00 C ATOM 1642 C PHE A 104 104.030 6.202 9.849 1.00 0.00 C ATOM 1643 O PHE A 104 102.938 6.564 9.456 1.00 0.00 O ATOM 1644 CB PHE A 104 105.484 4.561 8.654 1.00 0.00 C ATOM 1645 CG PHE A 104 105.968 4.369 7.238 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.136 5.003 6.793 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.235 3.559 6.364 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.569 4.823 5.473 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.666 3.381 5.046 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.833 4.012 4.600 1.00 0.00 C ATOM 0 H PHE A 104 107.184 5.916 9.688 1.00 0.00 H new ATOM 0 HA PHE A 104 104.970 6.557 7.964 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.233 4.200 9.359 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.579 3.977 8.824 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.701 5.630 7.467 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.335 3.071 6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.470 5.309 5.129 1.00 0.00 H new ATOM 0 HE2 PHE A 104 105.098 2.757 4.372 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.166 3.873 3.582 1.00 0.00 H new ATOM 1660 N LYS A 105 104.251 5.944 11.108 1.00 0.00 N ATOM 1661 CA LYS A 105 103.152 6.092 12.094 1.00 0.00 C ATOM 1662 C LYS A 105 102.671 7.542 12.124 1.00 0.00 C ATOM 1663 O LYS A 105 101.501 7.803 12.326 1.00 0.00 O ATOM 1664 CB LYS A 105 103.731 5.681 13.448 1.00 0.00 C ATOM 1665 CG LYS A 105 103.786 4.154 13.543 1.00 0.00 C ATOM 1666 CD LYS A 105 104.290 3.757 14.930 1.00 0.00 C ATOM 1667 CE LYS A 105 104.261 2.233 15.070 1.00 0.00 C ATOM 1668 NZ LYS A 105 104.742 1.963 16.452 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.144 5.638 11.493 1.00 0.00 H new ATOM 0 HA LYS A 105 102.293 5.472 11.837 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.730 6.099 13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 105 103.117 6.083 14.254 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.797 3.730 13.367 1.00 0.00 H new ATOM 0 HG3 LYS A 105 104.446 3.753 12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 105 105.305 4.127 15.079 1.00 0.00 H new ATOM 0 HD3 LYS A 105 103.668 4.215 15.699 1.00 0.00 H new ATOM 0 HE2 LYS A 105 103.255 1.842 14.919 1.00 0.00 H new ATOM 0 HE3 LYS A 105 104.903 1.756 14.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 104.750 0.937 16.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 105.705 2.340 16.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.108 2.423 17.136 1.00 0.00 H new ATOM 1682 N GLN A 106 103.543 8.494 11.901 1.00 0.00 N ATOM 1683 CA GLN A 106 103.093 9.916 11.894 1.00 0.00 C ATOM 1684 C GLN A 106 102.437 10.256 10.545 1.00 0.00 C ATOM 1685 O GLN A 106 101.718 11.229 10.427 1.00 0.00 O ATOM 1686 CB GLN A 106 104.372 10.727 12.098 1.00 0.00 C ATOM 1687 CG GLN A 106 104.943 10.423 13.484 1.00 0.00 C ATOM 1688 CD GLN A 106 103.948 10.880 14.552 1.00 0.00 C ATOM 1689 OE1 GLN A 106 103.467 11.996 14.511 1.00 0.00 O ATOM 1690 NE2 GLN A 106 103.618 10.063 15.514 1.00 0.00 N ATOM 0 H GLN A 106 104.537 8.348 11.725 1.00 0.00 H new ATOM 0 HA GLN A 106 102.351 10.126 12.664 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.102 10.478 11.328 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.161 11.792 12.004 1.00 0.00 H new ATOM 0 HG2 GLN A 106 105.136 9.355 13.584 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.897 10.933 13.617 1.00 0.00 H new ATOM 0 HE21 GLN A 106 104.021 9.127 15.549 1.00 0.00 H new ATOM 0 HE22 GLN A 106 102.957 10.360 16.231 1.00 0.00 H new ATOM 1699 N GLY A 107 102.661 9.459 9.531 1.00 0.00 N ATOM 1700 CA GLY A 107 102.024 9.740 8.207 1.00 0.00 C ATOM 1701 C GLY A 107 103.031 10.348 7.221 1.00 0.00 C ATOM 1702 O GLY A 107 102.671 10.742 6.129 1.00 0.00 O ATOM 0 H GLY A 107 103.254 8.630 9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.619 8.817 7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.186 10.424 8.342 1.00 0.00 H new ATOM 1706 N ASN A 108 104.285 10.426 7.576 1.00 0.00 N ATOM 1707 CA ASN A 108 105.287 11.002 6.631 1.00 0.00 C ATOM 1708 C ASN A 108 106.109 9.879 5.993 1.00 0.00 C ATOM 1709 O ASN A 108 107.142 9.477 6.493 1.00 0.00 O ATOM 1710 CB ASN A 108 106.169 11.911 7.486 1.00 0.00 C ATOM 1711 CG ASN A 108 105.301 12.988 8.138 1.00 0.00 C ATOM 1712 OD1 ASN A 108 104.525 13.644 7.472 1.00 0.00 O ATOM 1713 ND2 ASN A 108 105.398 13.200 9.422 1.00 0.00 N ATOM 0 H ASN A 108 104.658 10.118 8.474 1.00 0.00 H new ATOM 0 HA ASN A 108 104.821 11.554 5.815 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.680 11.327 8.251 1.00 0.00 H new ATOM 0 HB3 ASN A 108 106.940 12.373 6.870 1.00 0.00 H new ATOM 0 HD21 ASN A 108 104.823 13.916 9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.049 12.650 9.982 1.00 0.00 H new ATOM 1720 N PHE A 109 105.640 9.369 4.885 1.00 0.00 N ATOM 1721 CA PHE A 109 106.358 8.264 4.186 1.00 0.00 C ATOM 1722 C PHE A 109 107.747 8.705 3.730 1.00 0.00 C ATOM 1723 O PHE A 109 108.702 7.961 3.830 1.00 0.00 O ATOM 1724 CB PHE A 109 105.497 7.942 2.951 1.00 0.00 C ATOM 1725 CG PHE A 109 104.080 7.509 3.327 1.00 0.00 C ATOM 1726 CD1 PHE A 109 103.759 7.073 4.630 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.076 7.548 2.347 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.448 6.685 4.939 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.767 7.160 2.662 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.454 6.729 3.956 1.00 0.00 C ATOM 0 H PHE A 109 104.780 9.675 4.430 1.00 0.00 H new ATOM 0 HA PHE A 109 106.495 7.407 4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.447 8.820 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 109 105.975 7.150 2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.525 7.038 5.391 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.313 7.878 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.205 6.352 5.937 1.00 0.00 H new ATOM 0 HE2 PHE A 109 100.998 7.194 1.904 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.444 6.430 4.196 1.00 0.00 H new ATOM 1740 N LYS A 110 107.866 9.886 3.193 1.00 0.00 N ATOM 1741 CA LYS A 110 109.199 10.326 2.696 1.00 0.00 C ATOM 1742 C LYS A 110 110.221 10.406 3.832 1.00 0.00 C ATOM 1743 O LYS A 110 111.335 9.936 3.700 1.00 0.00 O ATOM 1744 CB LYS A 110 108.989 11.714 2.092 1.00 0.00 C ATOM 1745 CG LYS A 110 110.328 12.242 1.575 1.00 0.00 C ATOM 1746 CD LYS A 110 110.160 13.680 1.098 1.00 0.00 C ATOM 1747 CE LYS A 110 111.506 14.200 0.575 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.294 15.640 0.211 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.108 10.559 3.077 1.00 0.00 H new ATOM 0 HA LYS A 110 109.589 9.615 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.265 11.665 1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.581 12.392 2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.078 12.195 2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.686 11.616 0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.407 13.729 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.807 14.308 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.281 14.102 1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.834 13.625 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.907 15.889 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.299 15.788 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.528 16.242 1.026 1.00 0.00 H new ATOM 1762 N GLN A 111 109.877 11.032 4.920 1.00 0.00 N ATOM 1763 CA GLN A 111 110.870 11.173 6.019 1.00 0.00 C ATOM 1764 C GLN A 111 111.227 9.804 6.611 1.00 0.00 C ATOM 1765 O GLN A 111 112.366 9.555 6.955 1.00 0.00 O ATOM 1766 CB GLN A 111 110.223 12.100 7.051 1.00 0.00 C ATOM 1767 CG GLN A 111 111.235 12.395 8.158 1.00 0.00 C ATOM 1768 CD GLN A 111 110.594 13.270 9.235 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.556 13.863 9.018 1.00 0.00 O ATOM 1770 NE2 GLN A 111 111.180 13.379 10.397 1.00 0.00 N ATOM 0 H GLN A 111 108.962 11.448 5.096 1.00 0.00 H new ATOM 0 HA GLN A 111 111.812 11.592 5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.903 13.028 6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 111 109.332 11.633 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.587 11.462 8.598 1.00 0.00 H new ATOM 0 HG3 GLN A 111 112.107 12.899 7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 111 112.051 12.880 10.578 1.00 0.00 H new ATOM 0 HE22 GLN A 111 110.766 13.963 11.124 1.00 0.00 H new ATOM 1779 N GLY A 112 110.281 8.913 6.736 1.00 0.00 N ATOM 1780 CA GLY A 112 110.604 7.575 7.310 1.00 0.00 C ATOM 1781 C GLY A 112 111.582 6.833 6.396 1.00 0.00 C ATOM 1782 O GLY A 112 112.602 6.341 6.835 1.00 0.00 O ATOM 0 H GLY A 112 109.307 9.051 6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.039 7.692 8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.691 6.992 7.429 1.00 0.00 H new ATOM 1786 N LEU A 113 111.281 6.739 5.129 1.00 0.00 N ATOM 1787 CA LEU A 113 112.201 6.018 4.206 1.00 0.00 C ATOM 1788 C LEU A 113 113.549 6.737 4.103 1.00 0.00 C ATOM 1789 O LEU A 113 114.585 6.111 4.135 1.00 0.00 O ATOM 1790 CB LEU A 113 111.484 6.001 2.855 1.00 0.00 C ATOM 1791 CG LEU A 113 110.420 4.900 2.873 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.493 5.054 1.665 1.00 0.00 C ATOM 1793 CD2 LEU A 113 111.108 3.532 2.821 1.00 0.00 C ATOM 0 H LEU A 113 110.443 7.128 4.696 1.00 0.00 H new ATOM 0 HA LEU A 113 112.421 5.011 4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.022 6.969 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.198 5.822 2.051 1.00 0.00 H new ATOM 0 HG LEU A 113 109.831 4.980 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.738 4.268 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.004 6.028 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.076 4.976 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 113 110.354 2.745 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.697 3.456 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.763 3.421 3.685 1.00 0.00 H new ATOM 1805 N VAL A 114 113.555 8.039 3.980 1.00 0.00 N ATOM 1806 CA VAL A 114 114.863 8.757 3.869 1.00 0.00 C ATOM 1807 C VAL A 114 115.680 8.585 5.154 1.00 0.00 C ATOM 1808 O VAL A 114 116.848 8.253 5.112 1.00 0.00 O ATOM 1809 CB VAL A 114 114.506 10.230 3.642 1.00 0.00 C ATOM 1810 CG1 VAL A 114 115.784 11.077 3.634 1.00 0.00 C ATOM 1811 CG2 VAL A 114 113.792 10.385 2.295 1.00 0.00 C ATOM 0 H VAL A 114 112.725 8.631 3.952 1.00 0.00 H new ATOM 0 HA VAL A 114 115.473 8.365 3.056 1.00 0.00 H new ATOM 0 HB VAL A 114 113.850 10.566 4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.526 12.124 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.295 10.973 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.441 10.737 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.539 11.433 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.448 10.044 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 114 112.880 9.788 2.296 1.00 0.00 H new ATOM 1821 N ASP A 115 115.085 8.808 6.297 1.00 0.00 N ATOM 1822 CA ASP A 115 115.857 8.653 7.566 1.00 0.00 C ATOM 1823 C ASP A 115 116.294 7.198 7.741 1.00 0.00 C ATOM 1824 O ASP A 115 117.395 6.920 8.171 1.00 0.00 O ATOM 1825 CB ASP A 115 114.903 9.085 8.682 1.00 0.00 C ATOM 1826 CG ASP A 115 114.958 10.609 8.857 1.00 0.00 C ATOM 1827 OD1 ASP A 115 115.794 11.235 8.222 1.00 0.00 O ATOM 1828 OD2 ASP A 115 114.161 11.125 9.622 1.00 0.00 O1- ATOM 0 H ASP A 115 114.110 9.087 6.407 1.00 0.00 H new ATOM 0 HA ASP A 115 116.766 9.254 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 115 113.886 8.774 8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.176 8.593 9.616 1.00 0.00 H new ATOM 1833 N GLY A 116 115.446 6.265 7.407 1.00 0.00 N ATOM 1834 CA GLY A 116 115.829 4.834 7.552 1.00 0.00 C ATOM 1835 C GLY A 116 117.017 4.541 6.637 1.00 0.00 C ATOM 1836 O GLY A 116 117.948 3.857 7.015 1.00 0.00 O ATOM 0 H GLY A 116 114.508 6.431 7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.089 4.617 8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 116 114.987 4.191 7.294 1.00 0.00 H new ATOM 1840 N ILE A 117 116.998 5.058 5.434 1.00 0.00 N ATOM 1841 CA ILE A 117 118.138 4.812 4.502 1.00 0.00 C ATOM 1842 C ILE A 117 119.420 5.443 5.066 1.00 0.00 C ATOM 1843 O ILE A 117 120.473 4.839 5.051 1.00 0.00 O ATOM 1844 CB ILE A 117 117.736 5.485 3.182 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.558 4.737 2.557 1.00 0.00 C ATOM 1846 CG2 ILE A 117 118.916 5.458 2.200 1.00 0.00 C ATOM 1847 CD1 ILE A 117 115.933 5.609 1.467 1.00 0.00 C ATOM 0 H ILE A 117 116.246 5.637 5.059 1.00 0.00 H new ATOM 0 HA ILE A 117 118.338 3.749 4.364 1.00 0.00 H new ATOM 0 HB ILE A 117 117.452 6.517 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 117 116.895 3.791 2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 117 115.816 4.499 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 117 118.623 5.937 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 117 119.762 5.993 2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.202 4.425 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.092 5.082 1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.583 6.544 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 117 116.678 5.824 0.701 1.00 0.00 H new ATOM 1859 N GLU A 118 119.342 6.654 5.557 1.00 0.00 N ATOM 1860 CA GLU A 118 120.569 7.301 6.106 1.00 0.00 C ATOM 1861 C GLU A 118 121.150 6.421 7.215 1.00 0.00 C ATOM 1862 O GLU A 118 122.333 6.139 7.243 1.00 0.00 O ATOM 1863 CB GLU A 118 120.100 8.653 6.653 1.00 0.00 C ATOM 1864 CG GLU A 118 121.302 9.428 7.199 1.00 0.00 C ATOM 1865 CD GLU A 118 120.850 10.812 7.671 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.785 11.242 7.257 1.00 0.00 O1- ATOM 1867 OE2 GLU A 118 121.584 11.423 8.429 1.00 0.00 O ATOM 0 H GLU A 118 118.492 7.216 5.601 1.00 0.00 H new ATOM 0 HA GLU A 118 121.352 7.433 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.612 9.226 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.363 8.502 7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.755 8.881 8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.065 9.527 6.427 1.00 0.00 H new ATOM 1874 N LYS A 119 120.324 5.967 8.116 1.00 0.00 N ATOM 1875 CA LYS A 119 120.830 5.085 9.205 1.00 0.00 C ATOM 1876 C LYS A 119 121.367 3.788 8.590 1.00 0.00 C ATOM 1877 O LYS A 119 122.425 3.309 8.949 1.00 0.00 O ATOM 1878 CB LYS A 119 119.620 4.798 10.100 1.00 0.00 C ATOM 1879 CG LYS A 119 119.173 6.082 10.806 1.00 0.00 C ATOM 1880 CD LYS A 119 117.967 5.781 11.705 1.00 0.00 C ATOM 1881 CE LYS A 119 117.481 7.078 12.363 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.362 6.668 13.263 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.324 6.167 8.146 1.00 0.00 H new ATOM 0 HA LYS A 119 121.639 5.544 9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.801 4.399 9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.876 4.038 10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 119 119.992 6.486 11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 119 118.910 6.841 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.164 5.336 11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.242 5.054 12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.282 7.558 12.925 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.142 7.795 11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.379 7.250 14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.455 6.802 12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.472 5.666 13.519 1.00 0.00 H new ATOM 1896 N ALA A 120 120.661 3.238 7.641 1.00 0.00 N ATOM 1897 CA ALA A 120 121.141 1.995 6.974 1.00 0.00 C ATOM 1898 C ALA A 120 122.554 2.208 6.421 1.00 0.00 C ATOM 1899 O ALA A 120 123.429 1.383 6.588 1.00 0.00 O ATOM 1900 CB ALA A 120 120.145 1.751 5.836 1.00 0.00 C ATOM 0 H ALA A 120 119.770 3.597 7.298 1.00 0.00 H new ATOM 0 HA ALA A 120 121.193 1.147 7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.428 0.850 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.144 1.627 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.154 2.603 5.156 1.00 0.00 H new ATOM 1906 N GLY A 121 122.782 3.305 5.752 1.00 0.00 N ATOM 1907 CA GLY A 121 124.134 3.560 5.177 1.00 0.00 C ATOM 1908 C GLY A 121 125.179 3.708 6.289 1.00 0.00 C ATOM 1909 O GLY A 121 126.269 3.184 6.189 1.00 0.00 O ATOM 0 H GLY A 121 122.091 4.035 5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.414 2.740 4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.111 4.465 4.570 1.00 0.00 H new ATOM 1913 N MET A 122 124.868 4.412 7.346 1.00 0.00 N ATOM 1914 CA MET A 122 125.869 4.566 8.444 1.00 0.00 C ATOM 1915 C MET A 122 126.122 3.218 9.113 1.00 0.00 C ATOM 1916 O MET A 122 127.247 2.836 9.381 1.00 0.00 O ATOM 1917 CB MET A 122 125.234 5.529 9.442 1.00 0.00 C ATOM 1918 CG MET A 122 125.372 6.965 8.941 1.00 0.00 C ATOM 1919 SD MET A 122 124.523 8.075 10.089 1.00 0.00 S ATOM 1920 CE MET A 122 125.645 7.833 11.487 1.00 0.00 C ATOM 0 H MET A 122 123.975 4.882 7.496 1.00 0.00 H new ATOM 0 HA MET A 122 126.825 4.935 8.073 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.181 5.282 9.579 1.00 0.00 H new ATOM 0 HB3 MET A 122 125.714 5.427 10.415 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.425 7.237 8.864 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.945 7.058 7.943 1.00 0.00 H new ATOM 0 HE1 MET A 122 125.661 8.733 12.101 1.00 0.00 H new ATOM 0 HE2 MET A 122 125.302 6.990 12.087 1.00 0.00 H new ATOM 0 HE3 MET A 122 126.650 7.629 11.116 1.00 0.00 H new ATOM 1930 N ALA A 123 125.074 2.495 9.383 1.00 0.00 N ATOM 1931 CA ALA A 123 125.241 1.171 10.032 1.00 0.00 C ATOM 1932 C ALA A 123 125.977 0.248 9.070 1.00 0.00 C ATOM 1933 O ALA A 123 126.920 -0.427 9.435 1.00 0.00 O ATOM 1934 CB ALA A 123 123.817 0.687 10.309 1.00 0.00 C ATOM 0 H ALA A 123 124.111 2.764 9.182 1.00 0.00 H new ATOM 0 HA ALA A 123 125.822 1.203 10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 123 123.852 -0.290 10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.313 1.397 10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.270 0.609 9.369 1.00 0.00 H new ATOM 1940 N LEU A 124 125.577 0.244 7.833 1.00 0.00 N ATOM 1941 CA LEU A 124 126.279 -0.598 6.838 1.00 0.00 C ATOM 1942 C LEU A 124 127.720 -0.106 6.719 1.00 0.00 C ATOM 1943 O LEU A 124 128.640 -0.887 6.588 1.00 0.00 O ATOM 1944 CB LEU A 124 125.512 -0.399 5.534 1.00 0.00 C ATOM 1945 CG LEU A 124 124.146 -1.072 5.652 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.260 -0.634 4.487 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.323 -2.591 5.617 1.00 0.00 C ATOM 0 H LEU A 124 124.794 0.788 7.470 1.00 0.00 H new ATOM 0 HA LEU A 124 126.313 -1.654 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.391 0.664 5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.070 -0.825 4.700 1.00 0.00 H new ATOM 0 HG LEU A 124 123.677 -0.782 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.285 -1.114 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.135 0.448 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.727 -0.923 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.349 -3.073 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.791 -2.881 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.955 -2.903 6.448 1.00 0.00 H new ATOM 1959 N ALA A 125 127.927 1.188 6.751 1.00 0.00 N ATOM 1960 CA ALA A 125 129.312 1.721 6.626 1.00 0.00 C ATOM 1961 C ALA A 125 130.213 1.083 7.682 1.00 0.00 C ATOM 1962 O ALA A 125 131.379 0.833 7.445 1.00 0.00 O ATOM 1963 CB ALA A 125 129.192 3.230 6.853 1.00 0.00 C ATOM 0 H ALA A 125 127.197 1.893 6.858 1.00 0.00 H new ATOM 0 HA ALA A 125 129.753 1.500 5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.178 3.689 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.531 3.660 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 125 128.782 3.417 7.845 1.00 0.00 H new ATOM 1969 N LYS A 126 129.681 0.793 8.840 1.00 0.00 N ATOM 1970 CA LYS A 126 130.517 0.149 9.892 1.00 0.00 C ATOM 1971 C LYS A 126 131.008 -1.201 9.368 1.00 0.00 C ATOM 1972 O LYS A 126 132.148 -1.577 9.554 1.00 0.00 O ATOM 1973 CB LYS A 126 129.585 -0.044 11.091 1.00 0.00 C ATOM 1974 CG LYS A 126 129.202 1.315 11.680 1.00 0.00 C ATOM 1975 CD LYS A 126 128.260 1.102 12.870 1.00 0.00 C ATOM 1976 CE LYS A 126 127.842 2.458 13.446 1.00 0.00 C ATOM 1977 NZ LYS A 126 126.913 2.128 14.565 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.711 0.973 9.101 1.00 0.00 H new ATOM 0 HA LYS A 126 131.390 0.742 10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 126 128.688 -0.582 10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 126 130.076 -0.653 11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 126 130.096 1.851 12.000 1.00 0.00 H new ATOM 0 HG3 LYS A 126 128.716 1.929 10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 126 127.379 0.543 12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 126 128.756 0.507 13.637 1.00 0.00 H new ATOM 0 HE2 LYS A 126 128.706 3.020 13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 126 127.350 3.073 12.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 126.582 3.007 15.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 126.098 1.599 14.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 127.411 1.548 15.270 1.00 0.00 H new ATOM 1991 N TYR A 127 130.156 -1.921 8.693 1.00 0.00 N ATOM 1992 CA TYR A 127 130.573 -3.235 8.128 1.00 0.00 C ATOM 1993 C TYR A 127 131.385 -3.023 6.845 1.00 0.00 C ATOM 1994 O TYR A 127 132.318 -3.751 6.565 1.00 0.00 O ATOM 1995 CB TYR A 127 129.274 -3.994 7.842 1.00 0.00 C ATOM 1996 CG TYR A 127 128.677 -4.475 9.145 1.00 0.00 C ATOM 1997 CD1 TYR A 127 129.113 -5.681 9.714 1.00 0.00 C ATOM 1998 CD2 TYR A 127 127.690 -3.719 9.785 1.00 0.00 C ATOM 1999 CE1 TYR A 127 128.560 -6.126 10.923 1.00 0.00 C ATOM 2000 CE2 TYR A 127 127.138 -4.166 10.993 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.572 -5.369 11.561 1.00 0.00 C ATOM 2002 OH TYR A 127 127.028 -5.806 12.752 1.00 0.00 O ATOM 0 H TYR A 127 129.188 -1.656 8.508 1.00 0.00 H new ATOM 0 HA TYR A 127 131.210 -3.793 8.814 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.568 -3.346 7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.472 -4.841 7.185 1.00 0.00 H new ATOM 0 HD1 TYR A 127 129.875 -6.267 9.221 1.00 0.00 H new ATOM 0 HD2 TYR A 127 127.353 -2.790 9.348 1.00 0.00 H new ATOM 0 HE1 TYR A 127 128.897 -7.054 11.362 1.00 0.00 H new ATOM 0 HE2 TYR A 127 126.376 -3.581 11.487 1.00 0.00 H new ATOM 0 HH TYR A 127 126.357 -5.162 13.061 1.00 0.00 H new ATOM 2012 N PHE A 128 131.046 -2.027 6.061 1.00 0.00 N ATOM 2013 CA PHE A 128 131.809 -1.777 4.805 1.00 0.00 C ATOM 2014 C PHE A 128 132.139 -0.281 4.660 1.00 0.00 C ATOM 2015 O PHE A 128 131.321 0.485 4.188 1.00 0.00 O ATOM 2016 CB PHE A 128 130.885 -2.238 3.678 1.00 0.00 C ATOM 2017 CG PHE A 128 130.626 -3.720 3.820 1.00 0.00 C ATOM 2018 CD1 PHE A 128 129.677 -4.177 4.742 1.00 0.00 C ATOM 2019 CD2 PHE A 128 131.336 -4.637 3.034 1.00 0.00 C ATOM 2020 CE1 PHE A 128 129.436 -5.549 4.878 1.00 0.00 C ATOM 2021 CE2 PHE A 128 131.095 -6.011 3.169 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.145 -6.466 4.092 1.00 0.00 C ATOM 0 H PHE A 128 130.277 -1.381 6.239 1.00 0.00 H new ATOM 0 HA PHE A 128 132.761 -2.308 4.793 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.945 -1.688 3.715 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.340 -2.028 2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 128 129.130 -3.470 5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 128 132.069 -4.285 2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 128 128.703 -5.901 5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 128 131.641 -6.718 2.562 1.00 0.00 H new ATOM 0 HZ PHE A 128 129.959 -7.525 4.198 1.00 0.00 H new ATOM 2032 N PRO A 129 133.337 0.091 5.061 1.00 0.00 N ATOM 2033 CA PRO A 129 133.772 1.509 4.957 1.00 0.00 C ATOM 2034 C PRO A 129 133.960 1.907 3.491 1.00 0.00 C ATOM 2035 O PRO A 129 134.223 1.084 2.637 1.00 0.00 O ATOM 2036 CB PRO A 129 135.097 1.541 5.718 1.00 0.00 C ATOM 2037 CG PRO A 129 135.606 0.141 5.661 1.00 0.00 C ATOM 2038 CD PRO A 129 134.396 -0.757 5.640 1.00 0.00 C ATOM 0 HA PRO A 129 133.044 2.211 5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.800 2.236 5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.953 1.868 6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.218 -0.013 4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.236 -0.078 6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.570 -1.648 5.036 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.133 -1.097 6.642 1.00 0.00 H new ATOM 2046 N TRP A 130 133.802 3.168 3.195 1.00 0.00 N ATOM 2047 CA TRP A 130 133.945 3.627 1.786 1.00 0.00 C ATOM 2048 C TRP A 130 135.405 3.654 1.344 1.00 0.00 C ATOM 2049 O TRP A 130 136.264 4.181 2.022 1.00 0.00 O ATOM 2050 CB TRP A 130 133.400 5.049 1.757 1.00 0.00 C ATOM 2051 CG TRP A 130 133.313 5.465 0.328 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.366 5.046 -0.538 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.199 6.344 -0.422 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.607 5.618 -1.774 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.727 6.426 -1.754 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.353 7.072 -0.081 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.379 7.203 -2.714 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 136.011 7.855 -1.044 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.526 7.920 -2.357 1.00 0.00 C ATOM 0 H TRP A 130 133.580 3.900 3.869 1.00 0.00 H new ATOM 0 HA TRP A 130 133.416 2.950 1.115 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.419 5.094 2.230 1.00 0.00 H new ATOM 0 HB3 TRP A 130 134.053 5.722 2.313 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.553 4.374 -0.304 1.00 0.00 H new ATOM 0 HE1 TRP A 130 132.028 5.462 -2.599 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.736 7.029 0.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 134.001 7.250 -3.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.896 8.410 -0.771 1.00 0.00 H new ATOM 0 HH2 TRP A 130 136.037 8.523 -3.093 1.00 0.00 H new ATOM 2070 N LYS A 131 135.682 3.129 0.186 1.00 0.00 N ATOM 2071 CA LYS A 131 137.072 3.161 -0.334 1.00 0.00 C ATOM 2072 C LYS A 131 137.109 4.092 -1.553 1.00 0.00 C ATOM 2073 O LYS A 131 136.109 4.296 -2.213 1.00 0.00 O ATOM 2074 CB LYS A 131 137.405 1.710 -0.695 1.00 0.00 C ATOM 2075 CG LYS A 131 137.343 0.856 0.575 1.00 0.00 C ATOM 2076 CD LYS A 131 137.651 -0.607 0.241 1.00 0.00 C ATOM 2077 CE LYS A 131 137.450 -1.473 1.490 1.00 0.00 C ATOM 2078 NZ LYS A 131 138.522 -1.054 2.438 1.00 0.00 N1+ ATOM 0 H LYS A 131 135.001 2.677 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 131 137.802 3.541 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.700 1.335 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.398 1.651 -1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.059 1.228 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.354 0.934 1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 131 137.000 -0.952 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.676 -0.701 -0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 131 136.461 -1.317 1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 131 137.530 -2.533 1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 138.681 -1.807 3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 139.402 -0.879 1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 138.232 -0.183 2.927 1.00 0.00 H new ATOM 2092 N LYS A 132 138.226 4.706 -1.823 1.00 0.00 N ATOM 2093 CA LYS A 132 138.285 5.676 -2.959 1.00 0.00 C ATOM 2094 C LYS A 132 137.941 5.003 -4.287 1.00 0.00 C ATOM 2095 O LYS A 132 137.367 5.622 -5.165 1.00 0.00 O ATOM 2096 CB LYS A 132 139.721 6.200 -2.975 1.00 0.00 C ATOM 2097 CG LYS A 132 139.971 7.042 -1.724 1.00 0.00 C ATOM 2098 CD LYS A 132 141.423 7.523 -1.714 1.00 0.00 C ATOM 2099 CE LYS A 132 141.678 8.360 -0.458 1.00 0.00 C ATOM 2100 NZ LYS A 132 143.098 8.798 -0.571 1.00 0.00 N1+ ATOM 0 H LYS A 132 139.099 4.581 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 132 137.559 6.479 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.423 5.367 -3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.891 6.799 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.294 7.896 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.766 6.454 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 132 142.100 6.669 -1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.626 8.116 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 132 141.004 9.215 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.516 7.774 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 143.349 9.378 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.717 7.963 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.220 9.359 -1.438 1.00 0.00 H new ATOM 2114 N ASP A 133 138.269 3.753 -4.444 1.00 0.00 N ATOM 2115 CA ASP A 133 137.929 3.074 -5.727 1.00 0.00 C ATOM 2116 C ASP A 133 136.530 2.434 -5.654 1.00 0.00 C ATOM 2117 O ASP A 133 136.130 1.708 -6.543 1.00 0.00 O ATOM 2118 CB ASP A 133 139.014 2.023 -5.950 1.00 0.00 C ATOM 2119 CG ASP A 133 140.361 2.711 -6.178 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.360 3.890 -6.493 1.00 0.00 O ATOM 2121 OD2 ASP A 133 141.372 2.045 -6.033 1.00 0.00 O1- ATOM 0 H ASP A 133 138.750 3.178 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 133 137.896 3.780 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 133 139.075 1.361 -5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.762 1.403 -6.810 1.00 0.00 H new ATOM 2126 N ASP A 134 135.784 2.704 -4.592 1.00 0.00 N ATOM 2127 CA ASP A 134 134.409 2.132 -4.437 1.00 0.00 C ATOM 2128 C ASP A 134 133.635 2.185 -5.749 1.00 0.00 C ATOM 2129 O ASP A 134 133.717 3.140 -6.500 1.00 0.00 O ATOM 2130 CB ASP A 134 133.739 3.030 -3.402 1.00 0.00 C ATOM 2131 CG ASP A 134 132.349 2.479 -3.085 1.00 0.00 C ATOM 2132 OD1 ASP A 134 132.162 1.281 -3.224 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.495 3.264 -2.708 1.00 0.00 O ATOM 0 H ASP A 134 136.082 3.304 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 134 134.439 1.084 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.342 3.073 -2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.662 4.049 -3.782 1.00 0.00 H new ATOM 2138 N ILE A 135 132.933 1.132 -6.042 1.00 0.00 N ATOM 2139 CA ILE A 135 132.186 1.064 -7.333 1.00 0.00 C ATOM 2140 C ILE A 135 130.669 1.095 -7.083 1.00 0.00 C ATOM 2141 O ILE A 135 130.164 0.452 -6.183 1.00 0.00 O ATOM 2142 CB ILE A 135 132.642 -0.263 -8.045 1.00 0.00 C ATOM 2143 CG1 ILE A 135 131.844 -1.497 -7.555 1.00 0.00 C ATOM 2144 CG2 ILE A 135 134.146 -0.541 -7.837 1.00 0.00 C ATOM 2145 CD1 ILE A 135 132.104 -1.785 -6.071 1.00 0.00 C ATOM 0 H ILE A 135 132.841 0.310 -5.445 1.00 0.00 H new ATOM 0 HA ILE A 135 132.403 1.923 -7.968 1.00 0.00 H new ATOM 0 HB ILE A 135 132.443 -0.107 -9.105 1.00 0.00 H new ATOM 0 HG12 ILE A 135 130.779 -1.328 -7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 135 132.119 -2.368 -8.149 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.419 -1.466 -8.345 1.00 0.00 H new ATOM 0 HG22 ILE A 135 134.729 0.284 -8.248 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.354 -0.637 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.527 -2.657 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 135 133.166 -1.980 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 135 131.804 -0.923 -5.475 1.00 0.00 H new ATOM 2157 N ASP A 136 129.937 1.828 -7.883 1.00 0.00 N ATOM 2158 CA ASP A 136 128.464 1.874 -7.687 1.00 0.00 C ATOM 2159 C ASP A 136 127.794 0.840 -8.608 1.00 0.00 C ATOM 2160 O ASP A 136 127.465 1.116 -9.747 1.00 0.00 O ATOM 2161 CB ASP A 136 128.066 3.302 -8.063 1.00 0.00 C ATOM 2162 CG ASP A 136 126.637 3.580 -7.600 1.00 0.00 C ATOM 2163 OD1 ASP A 136 125.902 2.627 -7.410 1.00 0.00 O ATOM 2164 OD2 ASP A 136 126.303 4.742 -7.442 1.00 0.00 O1- ATOM 0 H ASP A 136 130.295 2.390 -8.655 1.00 0.00 H new ATOM 0 HA ASP A 136 128.157 1.634 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.752 4.013 -7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 136 128.141 3.438 -9.142 1.00 0.00 H new ATOM 2169 N GLU A 137 127.617 -0.362 -8.112 1.00 0.00 N ATOM 2170 CA GLU A 137 126.997 -1.460 -8.922 1.00 0.00 C ATOM 2171 C GLU A 137 125.528 -1.194 -9.239 1.00 0.00 C ATOM 2172 O GLU A 137 125.071 -1.448 -10.336 1.00 0.00 O ATOM 2173 CB GLU A 137 127.122 -2.709 -8.042 1.00 0.00 C ATOM 2174 CG GLU A 137 128.587 -3.138 -8.007 1.00 0.00 C ATOM 2175 CD GLU A 137 128.768 -4.361 -7.106 1.00 0.00 C ATOM 2176 OE1 GLU A 137 127.771 -4.966 -6.744 1.00 0.00 O1- ATOM 2177 OE2 GLU A 137 129.905 -4.683 -6.805 1.00 0.00 O ATOM 0 H GLU A 137 127.880 -0.633 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 137 127.494 -1.558 -9.887 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.766 -2.498 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.502 -3.514 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.928 -3.369 -9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 137 129.204 -2.316 -7.642 1.00 0.00 H new ATOM 2184 N LEU A 138 124.777 -0.705 -8.297 1.00 0.00 N ATOM 2185 CA LEU A 138 123.331 -0.453 -8.567 1.00 0.00 C ATOM 2186 C LEU A 138 123.055 1.042 -8.770 1.00 0.00 C ATOM 2187 O LEU A 138 123.739 1.873 -8.206 1.00 0.00 O ATOM 2188 CB LEU A 138 122.607 -0.948 -7.316 1.00 0.00 C ATOM 2189 CG LEU A 138 122.138 -2.389 -7.531 1.00 0.00 C ATOM 2190 CD1 LEU A 138 121.921 -3.056 -6.173 1.00 0.00 C ATOM 2191 CD2 LEU A 138 120.823 -2.388 -8.317 1.00 0.00 C ATOM 0 H LEU A 138 125.095 -0.469 -7.357 1.00 0.00 H new ATOM 0 HA LEU A 138 123.001 -0.958 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.272 -0.896 -6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.754 -0.306 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 138 122.893 -2.939 -8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 138 121.587 -4.083 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 138 122.857 -3.056 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 138 121.164 -2.505 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 138 120.490 -3.414 -8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 138 120.065 -1.840 -7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 138 120.977 -1.909 -9.284 1.00 0.00 H new ATOM 2203 N PRO A 139 122.038 1.346 -9.544 1.00 0.00 N ATOM 2204 CA PRO A 139 121.674 2.762 -9.767 1.00 0.00 C ATOM 2205 C PRO A 139 120.981 3.283 -8.510 1.00 0.00 C ATOM 2206 O PRO A 139 120.858 2.565 -7.537 1.00 0.00 O ATOM 2207 CB PRO A 139 120.705 2.709 -10.944 1.00 0.00 C ATOM 2208 CG PRO A 139 120.120 1.334 -10.908 1.00 0.00 C ATOM 2209 CD PRO A 139 121.143 0.429 -10.270 1.00 0.00 C ATOM 0 HA PRO A 139 122.522 3.417 -9.971 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.930 3.469 -10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 139 121.220 2.893 -11.887 1.00 0.00 H new ATOM 0 HG2 PRO A 139 119.191 1.326 -10.338 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.879 0.992 -11.915 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.675 -0.287 -9.595 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.686 -0.147 -11.019 1.00 0.00 H new ATOM 2217 N ASN A 140 120.498 4.493 -8.508 1.00 0.00 N ATOM 2218 CA ASN A 140 119.783 5.000 -7.304 1.00 0.00 C ATOM 2219 C ASN A 140 118.317 5.321 -7.662 1.00 0.00 C ATOM 2220 O ASN A 140 117.565 5.811 -6.842 1.00 0.00 O ATOM 2221 CB ASN A 140 120.543 6.264 -6.908 1.00 0.00 C ATOM 2222 CG ASN A 140 121.984 5.889 -6.568 1.00 0.00 C ATOM 2223 OD1 ASN A 140 122.911 6.543 -7.000 1.00 0.00 O ATOM 2224 ND2 ASN A 140 122.211 4.853 -5.805 1.00 0.00 N ATOM 0 H ASN A 140 120.567 5.151 -9.284 1.00 0.00 H new ATOM 0 HA ASN A 140 119.754 4.276 -6.490 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.524 6.986 -7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 140 120.065 6.738 -6.051 1.00 0.00 H new ATOM 0 HD21 ASN A 140 123.169 4.592 -5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 140 121.430 4.305 -5.443 1.00 0.00 H new ATOM 2231 N THR A 141 117.899 5.045 -8.880 1.00 0.00 N ATOM 2232 CA THR A 141 116.491 5.329 -9.275 1.00 0.00 C ATOM 2233 C THR A 141 115.533 4.531 -8.389 1.00 0.00 C ATOM 2234 O THR A 141 115.756 3.376 -8.092 1.00 0.00 O ATOM 2235 CB THR A 141 116.396 4.872 -10.731 1.00 0.00 C ATOM 2236 OG1 THR A 141 117.426 5.498 -11.487 1.00 0.00 O ATOM 2237 CG2 THR A 141 115.032 5.255 -11.306 1.00 0.00 C ATOM 0 H THR A 141 118.478 4.635 -9.613 1.00 0.00 H new ATOM 0 HA THR A 141 116.224 6.380 -9.163 1.00 0.00 H new ATOM 0 HB THR A 141 116.512 3.789 -10.780 1.00 0.00 H new ATOM 0 HG1 THR A 141 117.370 5.206 -12.421 1.00 0.00 H new ATOM 0 HG21 THR A 141 114.970 4.927 -12.344 1.00 0.00 H new ATOM 0 HG22 THR A 141 114.244 4.774 -10.726 1.00 0.00 H new ATOM 0 HG23 THR A 141 114.908 6.337 -11.259 1.00 0.00 H new ATOM 2245 N ILE A 142 114.477 5.153 -7.953 1.00 0.00 N ATOM 2246 CA ILE A 142 113.502 4.457 -7.069 1.00 0.00 C ATOM 2247 C ILE A 142 112.752 3.363 -7.835 1.00 0.00 C ATOM 2248 O ILE A 142 112.341 3.548 -8.964 1.00 0.00 O ATOM 2249 CB ILE A 142 112.552 5.564 -6.615 1.00 0.00 C ATOM 2250 CG1 ILE A 142 113.334 6.566 -5.764 1.00 0.00 C ATOM 2251 CG2 ILE A 142 111.415 4.964 -5.784 1.00 0.00 C ATOM 2252 CD1 ILE A 142 112.505 7.834 -5.562 1.00 0.00 C ATOM 0 H ILE A 142 114.244 6.122 -8.172 1.00 0.00 H new ATOM 0 HA ILE A 142 113.983 3.954 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 142 112.128 6.065 -7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.579 6.123 -4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 142 114.278 6.812 -6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.741 5.758 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.865 4.243 -6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.829 4.464 -4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 142 113.067 8.544 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 142 112.282 8.281 -6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 142 111.573 7.583 -5.056 1.00 0.00 H new ATOM 2264 N SER A 143 112.547 2.232 -7.214 1.00 0.00 N ATOM 2265 CA SER A 143 111.798 1.134 -7.888 1.00 0.00 C ATOM 2266 C SER A 143 110.305 1.270 -7.558 1.00 0.00 C ATOM 2267 O SER A 143 109.928 1.456 -6.418 1.00 0.00 O ATOM 2268 CB SER A 143 112.366 -0.160 -7.303 1.00 0.00 C ATOM 2269 OG SER A 143 113.655 -0.403 -7.854 1.00 0.00 O ATOM 0 H SER A 143 112.866 2.022 -6.268 1.00 0.00 H new ATOM 0 HA SER A 143 111.900 1.155 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 143 112.431 -0.083 -6.218 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.701 -0.995 -7.524 1.00 0.00 H new ATOM 0 HG SER A 143 113.953 -1.303 -7.606 1.00 0.00 H new ATOM 2275 N LYS A 144 109.454 1.203 -8.544 1.00 0.00 N ATOM 2276 CA LYS A 144 107.994 1.354 -8.274 1.00 0.00 C ATOM 2277 C LYS A 144 107.213 0.177 -8.866 1.00 0.00 C ATOM 2278 O LYS A 144 107.337 -0.136 -10.033 1.00 0.00 O ATOM 2279 CB LYS A 144 107.607 2.653 -8.977 1.00 0.00 C ATOM 2280 CG LYS A 144 106.141 2.981 -8.694 1.00 0.00 C ATOM 2281 CD LYS A 144 105.760 4.257 -9.448 1.00 0.00 C ATOM 2282 CE LYS A 144 104.300 4.612 -9.158 1.00 0.00 C ATOM 2283 NZ LYS A 144 104.033 5.827 -9.977 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.703 1.051 -9.521 1.00 0.00 H new ATOM 0 HA LYS A 144 107.771 1.374 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 144 108.244 3.467 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 144 107.766 2.557 -10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 144 105.503 2.154 -9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 144 105.985 3.116 -7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 144 106.411 5.078 -9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 144 105.904 4.115 -10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 144 103.632 3.795 -9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 144 104.144 4.808 -8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 103.050 6.134 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 104.679 6.589 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 104.183 5.608 -10.982 1.00 0.00 H new ATOM 2297 N GLY A 145 106.400 -0.466 -8.074 1.00 0.00 N ATOM 2298 CA GLY A 145 105.604 -1.611 -8.597 1.00 0.00 C ATOM 2299 C GLY A 145 104.412 -1.076 -9.390 1.00 0.00 C ATOM 2300 O GLY A 145 103.459 -0.641 -8.765 1.00 0.00 O ATOM 2301 OXT GLY A 145 104.475 -1.104 -10.607 1.00 0.00 O ATOM 0 H GLY A 145 106.253 -0.248 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 145 106.226 -2.241 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 145 105.257 -2.234 -7.773 1.00 0.00 H new