USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=22 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 : amide:sc= -0.195 K(o=-5.5,f=-6.5) USER MOD Set 1.2: A 106 GLN : amide:sc= 0 K(o=-5.5,f=-6.8!) USER MOD Set 1.3: A 108 ASN : amide:sc= -3.51 K(o=-5.5,f=-7.2!) USER MOD Set 1.4: A 111 GLN : amide:sc= -1.74 X(o=-5.5,f=-5.8!) USER MOD Set 2.1: A 28 SER OG : rot -170:sc= 0 USER MOD Set 2.2: A 63 ASN : amide:sc= -3.23! C(o=-3.2!,f=-9!) USER MOD Set 3.1: A 39 SER OG : rot 150:sc= -1.14 USER MOD Set 3.2: A 68 TYR OH : rot -33:sc= 0.968 USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.2 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= -0.0112 K(o=-0.011,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot 55:sc= 0.16 USER MOD Single : A 34 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-0.84) 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 48 MET CE :methyl 156:sc= -0.0929 (180deg=-0.836) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.0796 F(o=-1.4,f=-0.08) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.62 F(o=-3.1,f=-1.6) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= -1.98 (180deg=-1.98) USER MOD Single : A 58 ASN : amide:sc= -4.01! C(o=-4!,f=-9.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.08 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) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.98! 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= -0.0516 K(o=-0.052,f=-2.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -179:sc= 0.048 USER MOD Single : A 98 ASN : amide:sc= -0.0446 K(o=-0.045,f=-2.1!) 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 110 LYS NZ :NH3+ -116:sc= -3.09! (180deg=-8.11!) USER MOD Single : A 119 LYS NZ :NH3+ 160:sc= -0.0204 (180deg=-0.772) USER MOD Single : A 122 MET CE :methyl 156:sc= -0.0484 (180deg=-0.725) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -9.23! C(o=-9.2!,f=-22!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 143 SER OG : rot -90:sc= -1.43 USER MOD Single : A 144 LYS NZ :NH3+ 154:sc= 1.25 (180deg=0.599) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.644 13.993 -5.032 1.00 0.00 N ATOM 142 CA THR A 9 105.855 14.896 -6.197 1.00 0.00 C ATOM 143 C THR A 9 107.323 14.833 -6.624 1.00 0.00 C ATOM 144 O THR A 9 108.151 14.275 -5.931 1.00 0.00 O ATOM 145 CB THR A 9 105.501 16.292 -5.679 1.00 0.00 C ATOM 146 OG1 THR A 9 106.436 16.661 -4.671 1.00 0.00 O ATOM 147 CG2 THR A 9 104.081 16.282 -5.099 1.00 0.00 C ATOM 0 HA THR A 9 105.252 14.624 -7.063 1.00 0.00 H new ATOM 0 HB THR A 9 105.542 17.012 -6.496 1.00 0.00 H new ATOM 0 HG1 THR A 9 106.218 17.555 -4.334 1.00 0.00 H new ATOM 0 HG21 THR A 9 103.831 17.277 -4.731 1.00 0.00 H new ATOM 0 HG22 THR A 9 103.373 15.994 -5.876 1.00 0.00 H new ATOM 0 HG23 THR A 9 104.029 15.568 -4.278 1.00 0.00 H new ATOM 155 N ALA A 10 107.660 15.391 -7.754 1.00 0.00 N ATOM 156 CA ALA A 10 109.083 15.342 -8.201 1.00 0.00 C ATOM 157 C ALA A 10 109.982 15.945 -7.121 1.00 0.00 C ATOM 158 O ALA A 10 111.077 15.477 -6.879 1.00 0.00 O ATOM 159 CB ALA A 10 109.135 16.183 -9.477 1.00 0.00 C ATOM 0 H ALA A 10 107.019 15.875 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 10 109.429 14.324 -8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 10 110.154 16.193 -9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.467 15.753 -10.223 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.822 17.203 -9.254 1.00 0.00 H new ATOM 165 N GLU A 11 109.519 16.964 -6.452 1.00 0.00 N ATOM 166 CA GLU A 11 110.341 17.575 -5.372 1.00 0.00 C ATOM 167 C GLU A 11 110.542 16.557 -4.247 1.00 0.00 C ATOM 168 O GLU A 11 111.616 16.437 -3.687 1.00 0.00 O ATOM 169 CB GLU A 11 109.522 18.765 -4.866 1.00 0.00 C ATOM 170 CG GLU A 11 110.323 19.512 -3.796 1.00 0.00 C ATOM 171 CD GLU A 11 109.519 20.710 -3.279 1.00 0.00 C ATOM 172 OE1 GLU A 11 108.332 20.767 -3.553 1.00 0.00 O ATOM 173 OE2 GLU A 11 110.108 21.550 -2.618 1.00 0.00 O1- ATOM 0 H GLU A 11 108.609 17.399 -6.606 1.00 0.00 H new ATOM 0 HA GLU A 11 111.326 17.882 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 11 109.284 19.435 -5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 11 108.575 18.420 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.559 18.839 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 11 111.271 19.852 -4.212 1.00 0.00 H new ATOM 180 N GLU A 12 109.519 15.815 -3.919 1.00 0.00 N ATOM 181 CA GLU A 12 109.649 14.799 -2.835 1.00 0.00 C ATOM 182 C GLU A 12 110.537 13.635 -3.289 1.00 0.00 C ATOM 183 O GLU A 12 111.479 13.254 -2.621 1.00 0.00 O ATOM 184 CB GLU A 12 108.222 14.303 -2.598 1.00 0.00 C ATOM 185 CG GLU A 12 107.360 15.433 -2.029 1.00 0.00 C ATOM 186 CD GLU A 12 107.909 15.870 -0.671 1.00 0.00 C ATOM 187 OE1 GLU A 12 108.111 15.009 0.170 1.00 0.00 O ATOM 188 OE2 GLU A 12 108.115 17.058 -0.494 1.00 0.00 O1- ATOM 0 H GLU A 12 108.598 15.868 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 12 110.105 15.215 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.793 13.944 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.232 13.460 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 12 107.352 16.278 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 12 106.328 15.098 -1.924 1.00 0.00 H new ATOM 195 N GLU A 13 110.246 13.080 -4.433 1.00 0.00 N ATOM 196 CA GLU A 13 111.067 11.952 -4.956 1.00 0.00 C ATOM 197 C GLU A 13 112.492 12.421 -5.252 1.00 0.00 C ATOM 198 O GLU A 13 113.437 11.672 -5.106 1.00 0.00 O ATOM 199 CB GLU A 13 110.378 11.518 -6.250 1.00 0.00 C ATOM 200 CG GLU A 13 109.014 10.898 -5.927 1.00 0.00 C ATOM 201 CD GLU A 13 108.302 10.481 -7.221 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.863 10.692 -8.284 1.00 0.00 O1- ATOM 203 OE2 GLU A 13 107.205 9.955 -7.124 1.00 0.00 O ATOM 0 H GLU A 13 109.470 13.361 -5.032 1.00 0.00 H new ATOM 0 HA GLU A 13 111.140 11.137 -4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.251 12.375 -6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 13 111.000 10.796 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.145 10.031 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.401 11.615 -5.381 1.00 0.00 H new ATOM 210 N LYS A 14 112.664 13.647 -5.672 1.00 0.00 N ATOM 211 CA LYS A 14 114.044 14.127 -5.974 1.00 0.00 C ATOM 212 C LYS A 14 114.907 14.098 -4.710 1.00 0.00 C ATOM 213 O LYS A 14 116.044 13.673 -4.736 1.00 0.00 O ATOM 214 CB LYS A 14 113.900 15.565 -6.477 1.00 0.00 C ATOM 215 CG LYS A 14 115.279 16.074 -6.914 1.00 0.00 C ATOM 216 CD LYS A 14 115.172 17.505 -7.449 1.00 0.00 C ATOM 217 CE LYS A 14 116.560 17.982 -7.893 1.00 0.00 C ATOM 218 NZ LYS A 14 116.358 19.376 -8.377 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.919 14.329 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 14 114.527 13.491 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.201 15.605 -7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.494 16.201 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.969 16.044 -6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.688 15.420 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.476 17.542 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.777 18.166 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 14 117.270 17.951 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.961 17.346 -8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 117.267 19.767 -8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.683 19.374 -9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.983 19.961 -7.603 1.00 0.00 H new ATOM 232 N ALA A 15 114.387 14.569 -3.606 1.00 0.00 N ATOM 233 CA ALA A 15 115.205 14.583 -2.360 1.00 0.00 C ATOM 234 C ALA A 15 115.515 13.161 -1.870 1.00 0.00 C ATOM 235 O ALA A 15 116.622 12.883 -1.449 1.00 0.00 O ATOM 236 CB ALA A 15 114.371 15.343 -1.329 1.00 0.00 C ATOM 0 H ALA A 15 113.441 14.940 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 15 116.171 15.057 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.915 15.391 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.180 16.354 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.423 14.827 -1.176 1.00 0.00 H new ATOM 242 N ILE A 16 114.565 12.255 -1.899 1.00 0.00 N ATOM 243 CA ILE A 16 114.861 10.873 -1.406 1.00 0.00 C ATOM 244 C ILE A 16 115.838 10.150 -2.340 1.00 0.00 C ATOM 245 O ILE A 16 116.735 9.457 -1.897 1.00 0.00 O ATOM 246 CB ILE A 16 113.512 10.143 -1.327 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.719 8.789 -0.645 1.00 0.00 C ATOM 248 CG2 ILE A 16 112.938 9.923 -2.728 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.365 8.167 -0.300 1.00 0.00 C ATOM 0 H ILE A 16 113.615 12.409 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 16 115.344 10.899 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 16 112.811 10.751 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.278 8.123 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.312 8.915 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 16 111.982 9.405 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.791 10.886 -3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.632 9.321 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.520 7.203 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 16 111.822 8.829 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.787 8.025 -1.213 1.00 0.00 H new ATOM 261 N VAL A 17 115.698 10.323 -3.625 1.00 0.00 N ATOM 262 CA VAL A 17 116.647 9.663 -4.564 1.00 0.00 C ATOM 263 C VAL A 17 118.049 10.215 -4.309 1.00 0.00 C ATOM 264 O VAL A 17 119.028 9.496 -4.348 1.00 0.00 O ATOM 265 CB VAL A 17 116.168 10.032 -5.969 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.160 9.488 -6.998 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.789 9.416 -6.218 1.00 0.00 C ATOM 0 H VAL A 17 114.972 10.889 -4.063 1.00 0.00 H new ATOM 0 HA VAL A 17 116.681 8.581 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 17 116.102 11.116 -6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.823 9.748 -8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.143 9.924 -6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.222 8.404 -6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.448 9.679 -7.219 1.00 0.00 H new ATOM 0 HG22 VAL A 17 114.854 8.331 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.082 9.798 -5.482 1.00 0.00 H new ATOM 277 N ASP A 18 118.152 11.489 -4.052 1.00 0.00 N ATOM 278 CA ASP A 18 119.499 12.077 -3.808 1.00 0.00 C ATOM 279 C ASP A 18 120.104 11.448 -2.548 1.00 0.00 C ATOM 280 O ASP A 18 121.293 11.209 -2.472 1.00 0.00 O ATOM 281 CB ASP A 18 119.277 13.580 -3.621 1.00 0.00 C ATOM 282 CG ASP A 18 119.244 14.283 -4.983 1.00 0.00 C ATOM 283 OD1 ASP A 18 119.473 13.621 -5.983 1.00 0.00 O ATOM 284 OD2 ASP A 18 118.993 15.477 -5.001 1.00 0.00 O1- ATOM 0 H ASP A 18 117.371 12.143 -4.001 1.00 0.00 H new ATOM 0 HA ASP A 18 120.189 11.891 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.340 13.754 -3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 18 120.074 13.999 -3.006 1.00 0.00 H new ATOM 289 N ALA A 19 119.291 11.167 -1.565 1.00 0.00 N ATOM 290 CA ALA A 19 119.819 10.541 -0.319 1.00 0.00 C ATOM 291 C ALA A 19 120.440 9.185 -0.652 1.00 0.00 C ATOM 292 O ALA A 19 121.483 8.824 -0.144 1.00 0.00 O ATOM 293 CB ALA A 19 118.595 10.358 0.578 1.00 0.00 C ATOM 0 H ALA A 19 118.286 11.344 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 19 120.589 11.145 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 19 118.899 9.901 1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.141 11.329 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 19 117.871 9.714 0.079 1.00 0.00 H new ATOM 299 N ILE A 20 119.802 8.432 -1.504 1.00 0.00 N ATOM 300 CA ILE A 20 120.344 7.093 -1.880 1.00 0.00 C ATOM 301 C ILE A 20 121.687 7.266 -2.599 1.00 0.00 C ATOM 302 O ILE A 20 122.635 6.546 -2.350 1.00 0.00 O ATOM 303 CB ILE A 20 119.291 6.493 -2.812 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.002 6.247 -2.026 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.788 5.156 -3.372 1.00 0.00 C ATOM 306 CD1 ILE A 20 116.872 5.907 -2.998 1.00 0.00 C ATOM 0 H ILE A 20 118.925 8.686 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 20 120.527 6.450 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 20 119.107 7.187 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.145 5.431 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.743 7.132 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.032 4.736 -4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.711 5.316 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 20 119.975 4.465 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 20 115.952 5.731 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.724 6.737 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.133 5.010 -3.559 1.00 0.00 H new ATOM 318 N ARG A 21 121.771 8.217 -3.491 1.00 0.00 N ATOM 319 CA ARG A 21 123.049 8.439 -4.227 1.00 0.00 C ATOM 320 C ARG A 21 124.179 8.728 -3.234 1.00 0.00 C ATOM 321 O ARG A 21 125.277 8.224 -3.363 1.00 0.00 O ATOM 322 CB ARG A 21 122.791 9.670 -5.102 1.00 0.00 C ATOM 323 CG ARG A 21 121.828 9.311 -6.239 1.00 0.00 C ATOM 324 CD ARG A 21 121.547 10.560 -7.084 1.00 0.00 C ATOM 325 NE ARG A 21 120.624 10.103 -8.163 1.00 0.00 N ATOM 326 CZ ARG A 21 120.190 10.951 -9.059 1.00 0.00 C ATOM 327 NH1 ARG A 21 119.612 12.060 -8.683 1.00 0.00 N1+ ATOM 328 NH2 ARG A 21 120.335 10.689 -10.329 1.00 0.00 N ATOM 0 H ARG A 21 121.010 8.849 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 21 123.345 7.570 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.370 10.474 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 21 123.731 10.038 -5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.259 8.527 -6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 21 120.897 8.918 -5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.091 11.347 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 21 122.468 10.969 -7.500 1.00 0.00 H new ATOM 0 HE ARG A 21 120.331 9.127 -8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 21 119.499 12.265 -7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 21 119.274 12.721 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 21 120.787 9.823 -10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 21 119.997 11.350 -11.028 1.00 0.00 H new ATOM 342 N ASP A 22 123.915 9.539 -2.248 1.00 0.00 N ATOM 343 CA ASP A 22 124.965 9.868 -1.240 1.00 0.00 C ATOM 344 C ASP A 22 125.373 8.624 -0.441 1.00 0.00 C ATOM 345 O ASP A 22 126.518 8.471 -0.065 1.00 0.00 O ATOM 346 CB ASP A 22 124.319 10.900 -0.312 1.00 0.00 C ATOM 347 CG ASP A 22 124.463 12.308 -0.903 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.123 12.445 -1.921 1.00 0.00 O ATOM 349 OD2 ASP A 22 123.916 13.230 -0.320 1.00 0.00 O1- ATOM 0 H ASP A 22 123.013 9.991 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 22 125.871 10.245 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.264 10.663 -0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.789 10.860 0.671 1.00 0.00 H new ATOM 354 N ALA A 23 124.447 7.742 -0.158 1.00 0.00 N ATOM 355 CA ALA A 23 124.813 6.530 0.638 1.00 0.00 C ATOM 356 C ALA A 23 125.795 5.657 -0.150 1.00 0.00 C ATOM 357 O ALA A 23 126.732 5.111 0.401 1.00 0.00 O ATOM 358 CB ALA A 23 123.505 5.785 0.899 1.00 0.00 C ATOM 0 H ALA A 23 123.468 7.806 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 23 125.305 6.794 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.708 4.885 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.824 6.429 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.048 5.508 -0.051 1.00 0.00 H new ATOM 364 N GLU A 24 125.599 5.525 -1.438 1.00 0.00 N ATOM 365 CA GLU A 24 126.535 4.691 -2.256 1.00 0.00 C ATOM 366 C GLU A 24 127.969 5.243 -2.186 1.00 0.00 C ATOM 367 O GLU A 24 128.925 4.550 -2.475 1.00 0.00 O ATOM 368 CB GLU A 24 125.990 4.769 -3.680 1.00 0.00 C ATOM 369 CG GLU A 24 124.635 4.056 -3.744 1.00 0.00 C ATOM 370 CD GLU A 24 124.034 4.190 -5.150 1.00 0.00 C ATOM 371 OE1 GLU A 24 124.618 4.886 -5.965 1.00 0.00 O ATOM 372 OE2 GLU A 24 123.000 3.586 -5.387 1.00 0.00 O1- ATOM 0 H GLU A 24 124.835 5.956 -1.958 1.00 0.00 H new ATOM 0 HA GLU A 24 126.588 3.664 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 24 125.881 5.810 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.690 4.306 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.757 3.003 -3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 24 123.955 4.484 -3.007 1.00 0.00 H new ATOM 379 N LYS A 25 128.127 6.464 -1.751 1.00 0.00 N ATOM 380 CA LYS A 25 129.492 7.026 -1.602 1.00 0.00 C ATOM 381 C LYS A 25 129.974 6.834 -0.148 1.00 0.00 C ATOM 382 O LYS A 25 131.072 7.222 0.203 1.00 0.00 O ATOM 383 CB LYS A 25 129.337 8.499 -1.947 1.00 0.00 C ATOM 384 CG LYS A 25 128.879 8.625 -3.397 1.00 0.00 C ATOM 385 CD LYS A 25 128.590 10.089 -3.700 1.00 0.00 C ATOM 386 CE LYS A 25 128.139 10.231 -5.154 1.00 0.00 C ATOM 387 NZ LYS A 25 127.807 11.674 -5.312 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.367 7.094 -1.493 1.00 0.00 H new ATOM 0 HA LYS A 25 130.230 6.542 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.612 8.967 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.284 9.020 -1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.649 8.246 -4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 25 127.986 8.023 -3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 25 127.816 10.464 -3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.482 10.690 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 25 128.927 9.929 -5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.274 9.601 -5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.488 11.852 -6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.049 11.931 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 128.651 12.248 -5.113 1.00 0.00 H new ATOM 401 N ASN A 26 129.167 6.226 0.699 1.00 0.00 N ATOM 402 CA ASN A 26 129.579 5.990 2.109 1.00 0.00 C ATOM 403 C ASN A 26 129.753 4.474 2.353 1.00 0.00 C ATOM 404 O ASN A 26 130.377 4.057 3.310 1.00 0.00 O ATOM 405 CB ASN A 26 128.418 6.540 2.943 1.00 0.00 C ATOM 406 CG ASN A 26 128.397 8.067 2.846 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.379 8.677 2.468 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.312 8.716 3.173 1.00 0.00 N ATOM 0 H ASN A 26 128.235 5.884 0.463 1.00 0.00 H new ATOM 0 HA ASN A 26 130.527 6.466 2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.474 6.129 2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.526 6.233 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.288 9.734 3.111 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.488 8.205 3.490 1.00 0.00 H new ATOM 415 N THR A 27 129.212 3.643 1.481 1.00 0.00 N ATOM 416 CA THR A 27 129.355 2.158 1.645 1.00 0.00 C ATOM 417 C THR A 27 129.239 1.470 0.270 1.00 0.00 C ATOM 418 O THR A 27 128.685 2.014 -0.665 1.00 0.00 O ATOM 419 CB THR A 27 128.217 1.745 2.593 1.00 0.00 C ATOM 420 OG1 THR A 27 128.386 0.388 2.989 1.00 0.00 O ATOM 421 CG2 THR A 27 126.859 1.913 1.906 1.00 0.00 C ATOM 0 H THR A 27 128.677 3.934 0.663 1.00 0.00 H new ATOM 0 HA THR A 27 130.323 1.866 2.054 1.00 0.00 H new ATOM 0 HB THR A 27 128.248 2.388 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 27 129.276 0.270 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.065 1.616 2.591 1.00 0.00 H new ATOM 0 HG22 THR A 27 126.722 2.956 1.622 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.822 1.286 1.015 1.00 0.00 H new ATOM 429 N SER A 28 129.743 0.269 0.153 1.00 0.00 N ATOM 430 CA SER A 28 129.651 -0.458 -1.149 1.00 0.00 C ATOM 431 C SER A 28 128.316 -1.214 -1.253 1.00 0.00 C ATOM 432 O SER A 28 127.993 -1.768 -2.285 1.00 0.00 O ATOM 433 CB SER A 28 130.828 -1.434 -1.155 1.00 0.00 C ATOM 434 OG SER A 28 130.524 -2.543 -0.320 1.00 0.00 O ATOM 0 H SER A 28 130.214 -0.240 0.901 1.00 0.00 H new ATOM 0 HA SER A 28 129.690 0.225 -1.998 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.028 -1.774 -2.171 1.00 0.00 H new ATOM 0 HB3 SER A 28 131.731 -0.935 -0.802 1.00 0.00 H new ATOM 0 HG SER A 28 131.328 -3.089 -0.195 1.00 0.00 H new ATOM 440 N GLY A 29 127.531 -1.243 -0.203 1.00 0.00 N ATOM 441 CA GLY A 29 126.233 -1.960 -0.273 1.00 0.00 C ATOM 442 C GLY A 29 125.258 -1.165 -1.133 1.00 0.00 C ATOM 443 O GLY A 29 125.518 -0.035 -1.501 1.00 0.00 O ATOM 0 H GLY A 29 127.737 -0.801 0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.378 -2.955 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 29 125.825 -2.094 0.729 1.00 0.00 H new ATOM 447 N GLU A 30 124.136 -1.737 -1.459 1.00 0.00 N ATOM 448 CA GLU A 30 123.152 -0.991 -2.303 1.00 0.00 C ATOM 449 C GLU A 30 121.754 -1.024 -1.682 1.00 0.00 C ATOM 450 O GLU A 30 121.259 -2.052 -1.272 1.00 0.00 O ATOM 451 CB GLU A 30 123.161 -1.678 -3.670 1.00 0.00 C ATOM 452 CG GLU A 30 124.526 -1.487 -4.342 1.00 0.00 C ATOM 453 CD GLU A 30 124.777 0.002 -4.608 1.00 0.00 C ATOM 454 OE1 GLU A 30 123.853 0.782 -4.445 1.00 0.00 O ATOM 455 OE2 GLU A 30 125.892 0.336 -4.976 1.00 0.00 O1- ATOM 0 H GLU A 30 123.855 -2.678 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 30 123.423 0.061 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 30 122.949 -2.741 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.375 -1.263 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 30 125.314 -1.889 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 30 124.560 -2.043 -5.279 1.00 0.00 H new ATOM 462 N ILE A 31 121.124 0.118 -1.622 1.00 0.00 N ATOM 463 CA ILE A 31 119.754 0.209 -1.041 1.00 0.00 C ATOM 464 C ILE A 31 118.761 0.637 -2.127 1.00 0.00 C ATOM 465 O ILE A 31 119.006 1.570 -2.865 1.00 0.00 O ATOM 466 CB ILE A 31 119.860 1.269 0.058 1.00 0.00 C ATOM 467 CG1 ILE A 31 120.804 0.766 1.153 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.478 1.534 0.659 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.091 1.895 2.145 1.00 0.00 C ATOM 0 H ILE A 31 121.506 1.003 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 31 119.399 -0.742 -0.644 1.00 0.00 H new ATOM 0 HB ILE A 31 120.248 2.194 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.356 -0.082 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 31 121.735 0.413 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.560 2.289 1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 31 117.804 1.890 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.084 0.612 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 31 121.763 1.533 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.557 2.730 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.157 2.227 2.598 1.00 0.00 H new ATOM 481 N ARG A 32 117.644 -0.032 -2.232 1.00 0.00 N ATOM 482 CA ARG A 32 116.646 0.351 -3.273 1.00 0.00 C ATOM 483 C ARG A 32 115.232 0.277 -2.689 1.00 0.00 C ATOM 484 O ARG A 32 114.960 -0.496 -1.792 1.00 0.00 O ATOM 485 CB ARG A 32 116.837 -0.660 -4.406 1.00 0.00 C ATOM 486 CG ARG A 32 115.940 -0.295 -5.593 1.00 0.00 C ATOM 487 CD ARG A 32 116.233 -1.250 -6.756 1.00 0.00 C ATOM 488 NE ARG A 32 115.471 -0.705 -7.916 1.00 0.00 N ATOM 489 CZ ARG A 32 115.499 -1.329 -9.064 1.00 0.00 C ATOM 490 NH1 ARG A 32 115.570 -2.632 -9.096 1.00 0.00 N ATOM 491 NH2 ARG A 32 115.458 -0.652 -10.178 1.00 0.00 N1+ ATOM 0 H ARG A 32 117.380 -0.823 -1.645 1.00 0.00 H new ATOM 0 HA ARG A 32 116.783 1.371 -3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 32 117.881 -0.674 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.597 -1.663 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 32 114.891 -0.363 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.121 0.736 -5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.301 -1.291 -6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 32 115.916 -2.266 -6.520 1.00 0.00 H new ATOM 0 HE ARG A 32 114.929 0.153 -7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 32 115.604 -3.162 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 32 115.592 -3.120 -9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 32 115.404 0.366 -10.154 1.00 0.00 H new ATOM 0 HH22 ARG A 32 115.480 -1.141 -11.073 1.00 0.00 H new ATOM 505 N VAL A 33 114.338 1.096 -3.176 1.00 0.00 N ATOM 506 CA VAL A 33 112.948 1.098 -2.628 1.00 0.00 C ATOM 507 C VAL A 33 111.929 0.717 -3.711 1.00 0.00 C ATOM 508 O VAL A 33 111.971 1.199 -4.826 1.00 0.00 O ATOM 509 CB VAL A 33 112.718 2.545 -2.141 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.242 2.769 -1.766 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.588 2.818 -0.913 1.00 0.00 C ATOM 0 H VAL A 33 114.509 1.763 -3.928 1.00 0.00 H new ATOM 0 HA VAL A 33 112.824 0.370 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 33 112.985 3.224 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.105 3.795 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.614 2.589 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 33 110.961 2.082 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.424 3.840 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.323 2.122 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.638 2.687 -1.175 1.00 0.00 H new ATOM 521 N HIS A 34 110.985 -0.112 -3.358 1.00 0.00 N ATOM 522 CA HIS A 34 109.911 -0.501 -4.315 1.00 0.00 C ATOM 523 C HIS A 34 108.557 -0.131 -3.700 1.00 0.00 C ATOM 524 O HIS A 34 108.205 -0.583 -2.629 1.00 0.00 O ATOM 525 CB HIS A 34 110.026 -2.013 -4.493 1.00 0.00 C ATOM 526 CG HIS A 34 108.940 -2.476 -5.423 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.064 -2.391 -6.800 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.698 -3.014 -5.192 1.00 0.00 C ATOM 529 CE1 HIS A 34 107.927 -2.864 -7.341 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.060 -3.258 -6.405 1.00 0.00 N ATOM 0 H HIS A 34 110.912 -0.541 -2.436 1.00 0.00 H new ATOM 0 HA HIS A 34 110.002 0.005 -5.276 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.005 -2.272 -4.897 1.00 0.00 H new ATOM 0 HB3 HIS A 34 109.936 -2.514 -3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.280 -3.217 -4.217 1.00 0.00 H new ATOM 0 HE1 HIS A 34 107.738 -2.918 -8.403 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.130 -3.653 -6.548 1.00 0.00 H new ATOM 538 N LEU A 35 107.813 0.707 -4.362 1.00 0.00 N ATOM 539 CA LEU A 35 106.492 1.144 -3.821 1.00 0.00 C ATOM 540 C LEU A 35 105.334 0.607 -4.671 1.00 0.00 C ATOM 541 O LEU A 35 105.269 0.820 -5.864 1.00 0.00 O ATOM 542 CB LEU A 35 106.540 2.666 -3.907 1.00 0.00 C ATOM 543 CG LEU A 35 105.319 3.247 -3.204 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.369 2.901 -1.714 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.315 4.763 -3.375 1.00 0.00 C ATOM 0 H LEU A 35 108.063 1.113 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 35 106.324 0.775 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.453 3.040 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.559 2.983 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 35 104.413 2.826 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.495 3.318 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.375 1.818 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.273 3.321 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.443 5.183 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.222 5.181 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.277 5.009 -4.436 1.00 0.00 H new ATOM 557 N GLU A 36 104.402 -0.066 -4.040 1.00 0.00 N ATOM 558 CA GLU A 36 103.214 -0.608 -4.770 1.00 0.00 C ATOM 559 C GLU A 36 101.970 -0.455 -3.883 1.00 0.00 C ATOM 560 O GLU A 36 102.068 -0.122 -2.716 1.00 0.00 O ATOM 561 CB GLU A 36 103.533 -2.077 -5.062 1.00 0.00 C ATOM 562 CG GLU A 36 102.412 -2.700 -5.903 1.00 0.00 C ATOM 563 CD GLU A 36 102.741 -4.162 -6.219 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.877 -4.554 -6.007 1.00 0.00 O1- ATOM 565 OE2 GLU A 36 101.850 -4.865 -6.669 1.00 0.00 O ATOM 0 H GLU A 36 104.415 -0.265 -3.040 1.00 0.00 H new ATOM 0 HA GLU A 36 103.009 -0.079 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.482 -2.153 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.646 -2.626 -4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.466 -2.640 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.287 -2.139 -6.829 1.00 0.00 H new ATOM 572 N LYS A 37 100.796 -0.641 -4.434 1.00 0.00 N ATOM 573 CA LYS A 37 99.555 -0.444 -3.625 1.00 0.00 C ATOM 574 C LYS A 37 99.240 -1.625 -2.692 1.00 0.00 C ATOM 575 O LYS A 37 99.423 -1.539 -1.491 1.00 0.00 O ATOM 576 CB LYS A 37 98.427 -0.249 -4.642 1.00 0.00 C ATOM 577 CG LYS A 37 98.647 1.051 -5.422 1.00 0.00 C ATOM 578 CD LYS A 37 97.540 1.215 -6.470 1.00 0.00 C ATOM 579 CE LYS A 37 97.739 2.532 -7.229 1.00 0.00 C ATOM 580 NZ LYS A 37 96.612 2.593 -8.204 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.644 -0.919 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 37 99.678 0.412 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.395 -1.095 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.465 -0.218 -4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.645 1.901 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.622 1.035 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.558 0.376 -7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.563 1.207 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.720 3.385 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.702 2.552 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.682 3.469 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.660 1.773 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.708 2.580 -7.691 1.00 0.00 H new ATOM 594 N THR A 38 98.745 -2.712 -3.224 1.00 0.00 N ATOM 595 CA THR A 38 98.398 -3.881 -2.356 1.00 0.00 C ATOM 596 C THR A 38 98.748 -5.188 -3.071 1.00 0.00 C ATOM 597 O THR A 38 98.861 -5.239 -4.279 1.00 0.00 O ATOM 598 CB THR A 38 96.881 -3.777 -2.126 1.00 0.00 C ATOM 599 OG1 THR A 38 96.424 -4.939 -1.449 1.00 0.00 O ATOM 600 CG2 THR A 38 96.150 -3.651 -3.469 1.00 0.00 C ATOM 0 H THR A 38 98.566 -2.843 -4.220 1.00 0.00 H new ATOM 0 HA THR A 38 98.949 -3.875 -1.416 1.00 0.00 H new ATOM 0 HB THR A 38 96.674 -2.893 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.458 -4.872 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.077 -3.578 -3.294 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.494 -2.757 -3.988 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.359 -4.529 -4.081 1.00 0.00 H new ATOM 608 N SER A 39 98.935 -6.246 -2.324 1.00 0.00 N ATOM 609 CA SER A 39 99.293 -7.548 -2.949 1.00 0.00 C ATOM 610 C SER A 39 98.137 -8.547 -2.837 1.00 0.00 C ATOM 611 O SER A 39 97.168 -8.322 -2.138 1.00 0.00 O ATOM 612 CB SER A 39 100.504 -8.043 -2.162 1.00 0.00 C ATOM 613 OG SER A 39 101.537 -7.068 -2.227 1.00 0.00 O ATOM 0 H SER A 39 98.854 -6.261 -1.307 1.00 0.00 H new ATOM 0 HA SER A 39 99.506 -7.441 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.227 -8.227 -1.124 1.00 0.00 H new ATOM 0 HB3 SER A 39 100.856 -8.990 -2.571 1.00 0.00 H new ATOM 0 HG SER A 39 102.077 -7.108 -1.410 1.00 0.00 H new ATOM 619 N GLU A 40 98.246 -9.658 -3.509 1.00 0.00 N ATOM 620 CA GLU A 40 97.175 -10.694 -3.446 1.00 0.00 C ATOM 621 C GLU A 40 97.649 -11.913 -2.633 1.00 0.00 C ATOM 622 O GLU A 40 96.878 -12.800 -2.324 1.00 0.00 O ATOM 623 CB GLU A 40 96.941 -11.078 -4.911 1.00 0.00 C ATOM 624 CG GLU A 40 95.838 -12.140 -5.016 1.00 0.00 C ATOM 625 CD GLU A 40 95.587 -12.477 -6.490 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.027 -11.717 -7.339 1.00 0.00 O1- ATOM 627 OE2 GLU A 40 94.956 -13.490 -6.747 1.00 0.00 O ATOM 0 H GLU A 40 99.039 -9.896 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 40 96.269 -10.334 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 40 96.660 -10.195 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 40 97.865 -11.460 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 40 96.131 -13.038 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 40 94.921 -11.773 -4.555 1.00 0.00 H new ATOM 634 N ILE A 41 98.916 -11.975 -2.290 1.00 0.00 N ATOM 635 CA ILE A 41 99.432 -13.142 -1.514 1.00 0.00 C ATOM 636 C ILE A 41 100.189 -12.661 -0.252 1.00 0.00 C ATOM 637 O ILE A 41 99.629 -11.948 0.558 1.00 0.00 O ATOM 638 CB ILE A 41 100.337 -13.881 -2.505 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.418 -12.934 -3.036 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.494 -14.384 -3.677 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.530 -13.756 -3.692 1.00 0.00 C ATOM 0 H ILE A 41 99.613 -11.265 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 41 98.645 -13.796 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 41 100.812 -14.721 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 41 100.988 -12.240 -3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.825 -12.334 -2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.133 -14.911 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.725 -15.063 -3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.021 -13.537 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.302 -13.086 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 41 102.966 -14.432 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.116 -14.336 -4.516 1.00 0.00 H new ATOM 653 N ASP A 42 101.445 -13.013 -0.066 1.00 0.00 N ATOM 654 CA ASP A 42 102.171 -12.527 1.146 1.00 0.00 C ATOM 655 C ASP A 42 103.259 -11.530 0.733 1.00 0.00 C ATOM 656 O ASP A 42 103.944 -11.712 -0.253 1.00 0.00 O ATOM 657 CB ASP A 42 102.766 -13.778 1.793 1.00 0.00 C ATOM 658 CG ASP A 42 101.644 -14.634 2.395 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.544 -14.125 2.538 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 101.909 -15.785 2.706 1.00 0.00 O ATOM 0 H ASP A 42 101.987 -13.607 -0.694 1.00 0.00 H new ATOM 0 HA ASP A 42 101.519 -12.003 1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.318 -14.355 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.476 -13.494 2.570 1.00 0.00 H new ATOM 665 N VAL A 43 103.399 -10.463 1.472 1.00 0.00 N ATOM 666 CA VAL A 43 104.415 -9.427 1.124 1.00 0.00 C ATOM 667 C VAL A 43 105.843 -9.981 1.238 1.00 0.00 C ATOM 668 O VAL A 43 106.676 -9.732 0.394 1.00 0.00 O ATOM 669 CB VAL A 43 104.181 -8.290 2.123 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.202 -7.176 1.884 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.768 -7.732 1.934 1.00 0.00 C ATOM 0 H VAL A 43 102.850 -10.263 2.308 1.00 0.00 H new ATOM 0 HA VAL A 43 104.312 -9.091 0.092 1.00 0.00 H new ATOM 0 HB VAL A 43 104.293 -8.671 3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.033 -6.368 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.209 -7.571 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.092 -6.794 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.599 -6.922 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.660 -7.352 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.038 -8.523 2.105 1.00 0.00 H new ATOM 681 N PHE A 44 106.135 -10.729 2.269 1.00 0.00 N ATOM 682 CA PHE A 44 107.514 -11.294 2.414 1.00 0.00 C ATOM 683 C PHE A 44 107.855 -12.188 1.214 1.00 0.00 C ATOM 684 O PHE A 44 108.913 -12.067 0.627 1.00 0.00 O ATOM 685 CB PHE A 44 107.469 -12.123 3.700 1.00 0.00 C ATOM 686 CG PHE A 44 108.827 -12.733 3.966 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.878 -11.930 4.426 1.00 0.00 C ATOM 688 CD2 PHE A 44 109.032 -14.105 3.762 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.133 -12.496 4.677 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.288 -14.670 4.016 1.00 0.00 C ATOM 691 CZ PHE A 44 111.338 -13.865 4.474 1.00 0.00 C ATOM 0 H PHE A 44 105.484 -10.974 3.015 1.00 0.00 H new ATOM 0 HA PHE A 44 108.274 -10.514 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.173 -11.493 4.539 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.719 -12.909 3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.720 -10.874 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.222 -14.726 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.944 -11.875 5.028 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.447 -15.727 3.859 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.306 -14.301 4.671 1.00 0.00 H new ATOM 701 N ASP A 45 106.964 -13.058 0.821 1.00 0.00 N ATOM 702 CA ASP A 45 107.250 -13.921 -0.365 1.00 0.00 C ATOM 703 C ASP A 45 107.190 -13.046 -1.622 1.00 0.00 C ATOM 704 O ASP A 45 108.000 -13.173 -2.520 1.00 0.00 O ATOM 705 CB ASP A 45 106.124 -14.957 -0.379 1.00 0.00 C ATOM 706 CG ASP A 45 106.470 -16.130 0.544 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.572 -16.147 1.069 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.621 -16.990 0.715 1.00 0.00 O ATOM 0 H ASP A 45 106.058 -13.209 1.264 1.00 0.00 H new ATOM 0 HA ASP A 45 108.229 -14.399 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.191 -14.495 -0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.966 -15.319 -1.395 1.00 0.00 H new ATOM 713 N ARG A 46 106.244 -12.157 -1.684 1.00 0.00 N ATOM 714 CA ARG A 46 106.128 -11.262 -2.868 1.00 0.00 C ATOM 715 C ARG A 46 107.383 -10.396 -3.026 1.00 0.00 C ATOM 716 O ARG A 46 107.863 -10.202 -4.124 1.00 0.00 O ATOM 717 CB ARG A 46 104.896 -10.399 -2.598 1.00 0.00 C ATOM 718 CG ARG A 46 104.647 -9.500 -3.809 1.00 0.00 C ATOM 719 CD ARG A 46 103.350 -8.716 -3.614 1.00 0.00 C ATOM 720 NE ARG A 46 103.249 -7.850 -4.821 1.00 0.00 N ATOM 721 CZ ARG A 46 102.668 -8.300 -5.901 1.00 0.00 C ATOM 722 NH1 ARG A 46 101.455 -8.776 -5.839 1.00 0.00 N1+ ATOM 723 NH2 ARG A 46 103.302 -8.277 -7.041 1.00 0.00 N ATOM 0 H ARG A 46 105.540 -12.009 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 46 106.031 -11.826 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 46 104.027 -11.030 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.048 -9.794 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.482 -8.812 -3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.585 -10.103 -4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.492 -9.383 -3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.380 -8.121 -2.701 1.00 0.00 H new ATOM 0 HE ARG A 46 103.633 -6.905 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 46 100.960 -8.797 -4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 46 101.001 -9.127 -6.682 1.00 0.00 H new ATOM 0 HH21 ARG A 46 104.252 -7.908 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 46 102.848 -8.628 -7.884 1.00 0.00 H new ATOM 737 N ALA A 47 107.934 -9.880 -1.957 1.00 0.00 N ATOM 738 CA ALA A 47 109.165 -9.047 -2.095 1.00 0.00 C ATOM 739 C ALA A 47 110.337 -9.927 -2.538 1.00 0.00 C ATOM 740 O ALA A 47 111.160 -9.524 -3.332 1.00 0.00 O ATOM 741 CB ALA A 47 109.419 -8.445 -0.710 1.00 0.00 C ATOM 0 H ALA A 47 107.589 -9.998 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 47 109.052 -8.264 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.312 -7.820 -0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.563 -7.839 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.564 -9.247 0.014 1.00 0.00 H new ATOM 747 N MET A 48 110.405 -11.137 -2.047 1.00 0.00 N ATOM 748 CA MET A 48 111.510 -12.048 -2.463 1.00 0.00 C ATOM 749 C MET A 48 111.412 -12.330 -3.967 1.00 0.00 C ATOM 750 O MET A 48 112.398 -12.297 -4.674 1.00 0.00 O ATOM 751 CB MET A 48 111.298 -13.330 -1.648 1.00 0.00 C ATOM 752 CG MET A 48 112.422 -14.325 -1.945 1.00 0.00 C ATOM 753 SD MET A 48 112.289 -15.743 -0.824 1.00 0.00 S ATOM 754 CE MET A 48 110.746 -16.420 -1.483 1.00 0.00 C ATOM 0 H MET A 48 109.744 -11.532 -1.378 1.00 0.00 H new ATOM 0 HA MET A 48 112.497 -11.620 -2.285 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.279 -13.096 -0.584 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.333 -13.773 -1.894 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.361 -14.660 -2.980 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.391 -13.842 -1.823 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.689 -17.484 -1.255 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.899 -15.905 -1.028 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.719 -16.279 -2.563 1.00 0.00 H new ATOM 764 N ASP A 49 110.233 -12.580 -4.469 1.00 0.00 N ATOM 765 CA ASP A 49 110.095 -12.835 -5.932 1.00 0.00 C ATOM 766 C ASP A 49 110.488 -11.579 -6.716 1.00 0.00 C ATOM 767 O ASP A 49 111.222 -11.641 -7.679 1.00 0.00 O ATOM 768 CB ASP A 49 108.624 -13.187 -6.149 1.00 0.00 C ATOM 769 CG ASP A 49 108.406 -14.675 -5.879 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.371 -15.418 -5.966 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.281 -15.050 -5.599 1.00 0.00 O ATOM 0 H ASP A 49 109.365 -12.619 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 49 110.744 -13.639 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 49 107.996 -12.591 -5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.329 -12.946 -7.170 1.00 0.00 H new ATOM 776 N VAL A 50 110.021 -10.437 -6.292 1.00 0.00 N ATOM 777 CA VAL A 50 110.388 -9.167 -6.988 1.00 0.00 C ATOM 778 C VAL A 50 111.889 -8.901 -6.836 1.00 0.00 C ATOM 779 O VAL A 50 112.553 -8.530 -7.782 1.00 0.00 O ATOM 780 CB VAL A 50 109.561 -8.076 -6.302 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.972 -6.696 -6.824 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.078 -8.304 -6.591 1.00 0.00 C ATOM 0 H VAL A 50 109.399 -10.326 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 50 110.183 -9.205 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 50 109.739 -8.119 -5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.377 -5.928 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 50 111.028 -6.528 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.803 -6.649 -7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.489 -7.528 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.907 -8.267 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.779 -9.280 -6.210 1.00 0.00 H new ATOM 792 N PHE A 51 112.435 -9.089 -5.669 1.00 0.00 N ATOM 793 CA PHE A 51 113.896 -8.839 -5.492 1.00 0.00 C ATOM 794 C PHE A 51 114.687 -9.714 -6.467 1.00 0.00 C ATOM 795 O PHE A 51 115.573 -9.242 -7.153 1.00 0.00 O ATOM 796 CB PHE A 51 114.196 -9.244 -4.046 1.00 0.00 C ATOM 797 CG PHE A 51 115.602 -8.831 -3.679 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.708 -9.446 -4.283 1.00 0.00 C ATOM 799 CD2 PHE A 51 115.797 -7.821 -2.735 1.00 0.00 C ATOM 800 CE1 PHE A 51 118.006 -9.042 -3.939 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.092 -7.420 -2.389 1.00 0.00 C ATOM 802 CZ PHE A 51 118.197 -8.029 -2.993 1.00 0.00 C ATOM 0 H PHE A 51 111.940 -9.402 -4.834 1.00 0.00 H new ATOM 0 HA PHE A 51 114.171 -7.802 -5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.481 -8.773 -3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.082 -10.322 -3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.560 -10.229 -5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 51 114.945 -7.347 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.859 -9.513 -4.405 1.00 0.00 H new ATOM 0 HE2 PHE A 51 117.238 -6.641 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.197 -7.717 -2.729 1.00 0.00 H new ATOM 812 N HIS A 52 114.375 -10.973 -6.550 1.00 0.00 N ATOM 813 CA HIS A 52 115.109 -11.857 -7.500 1.00 0.00 C ATOM 814 C HIS A 52 114.664 -11.560 -8.937 1.00 0.00 C ATOM 815 O HIS A 52 115.453 -11.610 -9.861 1.00 0.00 O ATOM 816 CB HIS A 52 114.748 -13.281 -7.082 1.00 0.00 C ATOM 817 CG HIS A 52 115.376 -13.579 -5.747 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.230 -12.995 -4.510 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.304 -14.594 -5.578 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.054 -13.636 -3.590 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.678 -14.590 -4.285 1.00 0.00 N flip ATOM 0 H HIS A 52 113.645 -11.431 -6.004 1.00 0.00 H new ATOM 0 HA HIS A 52 116.188 -11.703 -7.472 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.665 -13.391 -7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.099 -13.992 -7.829 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.662 -15.266 -6.344 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.165 -13.410 -2.540 1.00 0.00 H new ATOM 0 HE2 HIS A 52 117.356 -15.238 -3.884 1.00 0.00 H new ATOM 829 N ASN A 53 113.415 -11.248 -9.134 1.00 0.00 N ATOM 830 CA ASN A 53 112.934 -10.938 -10.513 1.00 0.00 C ATOM 831 C ASN A 53 113.699 -9.722 -11.036 1.00 0.00 C ATOM 832 O ASN A 53 114.088 -9.663 -12.185 1.00 0.00 O ATOM 833 CB ASN A 53 111.447 -10.620 -10.364 1.00 0.00 C ATOM 834 CG ASN A 53 110.621 -11.916 -10.316 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.170 -13.034 -9.914 1.00 0.00 O flip ATOM 836 ND2 ASN A 53 109.453 -11.906 -10.651 1.00 0.00 N flip ATOM 0 H ASN A 53 112.705 -11.194 -8.403 1.00 0.00 H new ATOM 0 HA ASN A 53 113.089 -11.759 -11.213 1.00 0.00 H new ATOM 0 HB2 ASN A 53 111.282 -10.043 -9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.116 -10.002 -11.198 1.00 0.00 H new ATOM 0 HD21 ASN A 53 109.020 -11.038 -10.965 1.00 0.00 H new ATOM 0 HD22 ASN A 53 108.906 -12.766 -10.618 1.00 0.00 H new ATOM 843 N LEU A 54 113.947 -8.767 -10.187 1.00 0.00 N ATOM 844 CA LEU A 54 114.725 -7.575 -10.617 1.00 0.00 C ATOM 845 C LEU A 54 116.235 -7.897 -10.616 1.00 0.00 C ATOM 846 O LEU A 54 117.053 -7.042 -10.894 1.00 0.00 O ATOM 847 CB LEU A 54 114.400 -6.501 -9.581 1.00 0.00 C ATOM 848 CG LEU A 54 112.899 -6.205 -9.604 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.562 -5.201 -8.502 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.515 -5.616 -10.965 1.00 0.00 C ATOM 0 H LEU A 54 113.644 -8.760 -9.213 1.00 0.00 H new ATOM 0 HA LEU A 54 114.472 -7.255 -11.628 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.700 -6.836 -8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.964 -5.593 -9.794 1.00 0.00 H new ATOM 0 HG LEU A 54 112.344 -7.128 -9.438 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.493 -4.989 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.835 -5.619 -7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.117 -4.278 -8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.446 -5.405 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.070 -4.693 -11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.756 -6.331 -11.752 1.00 0.00 H new ATOM 862 N LYS A 55 116.612 -9.125 -10.321 1.00 0.00 N ATOM 863 CA LYS A 55 118.059 -9.503 -10.321 1.00 0.00 C ATOM 864 C LYS A 55 118.871 -8.627 -9.372 1.00 0.00 C ATOM 865 O LYS A 55 120.031 -8.366 -9.619 1.00 0.00 O ATOM 866 CB LYS A 55 118.537 -9.294 -11.756 1.00 0.00 C ATOM 867 CG LYS A 55 119.473 -10.431 -12.161 1.00 0.00 C ATOM 868 CD LYS A 55 119.827 -10.283 -13.640 1.00 0.00 C ATOM 869 CE LYS A 55 120.817 -11.377 -14.041 1.00 0.00 C ATOM 870 NZ LYS A 55 121.058 -11.161 -15.495 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.972 -9.882 -10.080 1.00 0.00 H new ATOM 0 HA LYS A 55 118.189 -10.531 -9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 55 117.683 -9.256 -12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.053 -8.338 -11.841 1.00 0.00 H new ATOM 0 HG2 LYS A 55 120.378 -10.408 -11.553 1.00 0.00 H new ATOM 0 HG3 LYS A 55 118.994 -11.394 -11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 55 118.926 -10.353 -14.249 1.00 0.00 H new ATOM 0 HD3 LYS A 55 120.261 -9.300 -13.824 1.00 0.00 H new ATOM 0 HE2 LYS A 55 121.743 -11.300 -13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 55 120.408 -12.369 -13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 121.729 -11.874 -15.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 120.160 -11.247 -16.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 121.454 -10.211 -15.644 1.00 0.00 H new ATOM 884 N MET A 56 118.295 -8.184 -8.288 1.00 0.00 N ATOM 885 CA MET A 56 119.082 -7.338 -7.349 1.00 0.00 C ATOM 886 C MET A 56 120.211 -8.158 -6.711 1.00 0.00 C ATOM 887 O MET A 56 121.129 -7.604 -6.137 1.00 0.00 O ATOM 888 CB MET A 56 118.093 -6.837 -6.313 1.00 0.00 C ATOM 889 CG MET A 56 117.140 -5.845 -6.981 1.00 0.00 C ATOM 890 SD MET A 56 115.944 -5.244 -5.763 1.00 0.00 S ATOM 891 CE MET A 56 117.100 -4.254 -4.780 1.00 0.00 C ATOM 0 H MET A 56 117.329 -8.368 -8.015 1.00 0.00 H new ATOM 0 HA MET A 56 119.563 -6.502 -7.856 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.534 -7.672 -5.891 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.621 -6.357 -5.489 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.702 -5.009 -7.398 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.621 -6.325 -7.810 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.565 -3.782 -3.956 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.884 -4.898 -4.382 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.547 -3.485 -5.410 1.00 0.00 H new ATOM 901 N ASP A 57 120.194 -9.459 -6.854 1.00 0.00 N ATOM 902 CA ASP A 57 121.317 -10.268 -6.307 1.00 0.00 C ATOM 903 C ASP A 57 122.548 -10.141 -7.238 1.00 0.00 C ATOM 904 O ASP A 57 123.598 -10.684 -6.958 1.00 0.00 O ATOM 905 CB ASP A 57 120.810 -11.709 -6.278 1.00 0.00 C ATOM 906 CG ASP A 57 119.699 -11.844 -5.237 1.00 0.00 C ATOM 907 OD1 ASP A 57 119.940 -11.490 -4.095 1.00 0.00 O1- ATOM 908 OD2 ASP A 57 118.629 -12.303 -5.599 1.00 0.00 O ATOM 0 H ASP A 57 119.458 -9.989 -7.321 1.00 0.00 H new ATOM 0 HA ASP A 57 121.622 -9.936 -5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 57 120.436 -11.993 -7.262 1.00 0.00 H new ATOM 0 HB3 ASP A 57 121.629 -12.388 -6.040 1.00 0.00 H new ATOM 913 N ASN A 58 122.432 -9.413 -8.335 1.00 0.00 N ATOM 914 CA ASN A 58 123.584 -9.232 -9.258 1.00 0.00 C ATOM 915 C ASN A 58 124.588 -8.242 -8.660 1.00 0.00 C ATOM 916 O ASN A 58 124.857 -7.198 -9.219 1.00 0.00 O ATOM 917 CB ASN A 58 122.960 -8.664 -10.542 1.00 0.00 C ATOM 918 CG ASN A 58 122.373 -7.271 -10.281 1.00 0.00 C ATOM 919 OD1 ASN A 58 122.393 -6.791 -9.165 1.00 0.00 O ATOM 920 ND2 ASN A 58 121.845 -6.602 -11.270 1.00 0.00 N ATOM 0 H ASN A 58 121.576 -8.938 -8.622 1.00 0.00 H new ATOM 0 HA ASN A 58 124.128 -10.159 -9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 58 123.715 -8.606 -11.326 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.178 -9.334 -10.901 1.00 0.00 H new ATOM 0 HD21 ASN A 58 121.449 -5.676 -11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 58 121.828 -7.005 -12.207 1.00 0.00 H new ATOM 927 N THR A 59 125.165 -8.582 -7.548 1.00 0.00 N ATOM 928 CA THR A 59 126.175 -7.687 -6.933 1.00 0.00 C ATOM 929 C THR A 59 127.367 -8.536 -6.504 1.00 0.00 C ATOM 930 O THR A 59 127.236 -9.706 -6.204 1.00 0.00 O ATOM 931 CB THR A 59 125.484 -7.048 -5.723 1.00 0.00 C ATOM 932 OG1 THR A 59 124.893 -8.064 -4.923 1.00 0.00 O ATOM 933 CG2 THR A 59 124.407 -6.069 -6.198 1.00 0.00 C ATOM 0 H THR A 59 124.980 -9.445 -7.036 1.00 0.00 H new ATOM 0 HA THR A 59 126.538 -6.916 -7.613 1.00 0.00 H new ATOM 0 HB THR A 59 126.221 -6.505 -5.131 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.453 -7.656 -4.148 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.919 -5.618 -5.334 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.867 -5.288 -6.804 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.667 -6.603 -6.795 1.00 0.00 H new ATOM 941 N LYS A 60 128.527 -7.962 -6.507 1.00 0.00 N ATOM 942 CA LYS A 60 129.749 -8.728 -6.139 1.00 0.00 C ATOM 943 C LYS A 60 129.737 -9.181 -4.676 1.00 0.00 C ATOM 944 O LYS A 60 130.097 -10.300 -4.365 1.00 0.00 O ATOM 945 CB LYS A 60 130.890 -7.750 -6.386 1.00 0.00 C ATOM 946 CG LYS A 60 130.968 -7.453 -7.881 1.00 0.00 C ATOM 947 CD LYS A 60 132.047 -6.403 -8.137 1.00 0.00 C ATOM 948 CE LYS A 60 132.080 -6.069 -9.629 1.00 0.00 C ATOM 949 NZ LYS A 60 133.112 -5.005 -9.761 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.688 -6.985 -6.750 1.00 0.00 H new ATOM 0 HA LYS A 60 129.834 -9.646 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.726 -6.829 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 60 131.832 -8.172 -6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 60 131.196 -8.365 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 60 130.004 -7.095 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 60 131.842 -5.504 -7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.019 -6.777 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 60 132.338 -6.945 -10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 60 131.107 -5.721 -9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 133.193 -4.722 -10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 132.837 -4.181 -9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 134.028 -5.367 -9.428 1.00 0.00 H new ATOM 963 N LEU A 61 129.334 -8.328 -3.769 1.00 0.00 N ATOM 964 CA LEU A 61 129.319 -8.734 -2.332 1.00 0.00 C ATOM 965 C LEU A 61 127.925 -9.218 -1.897 1.00 0.00 C ATOM 966 O LEU A 61 127.734 -9.611 -0.763 1.00 0.00 O ATOM 967 CB LEU A 61 129.704 -7.480 -1.538 1.00 0.00 C ATOM 968 CG LEU A 61 131.099 -6.998 -1.936 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.420 -5.709 -1.170 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.134 -8.068 -1.584 1.00 0.00 C ATOM 0 H LEU A 61 129.018 -7.377 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 61 130.007 -9.561 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 61 128.975 -6.690 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.679 -7.697 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 61 131.128 -6.809 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.414 -5.358 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.683 -4.945 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.392 -5.906 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.127 -7.721 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.110 -8.258 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.903 -8.988 -2.121 1.00 0.00 H new ATOM 982 N GLN A 62 126.952 -9.186 -2.774 1.00 0.00 N ATOM 983 CA GLN A 62 125.572 -9.643 -2.403 1.00 0.00 C ATOM 984 C GLN A 62 125.044 -8.856 -1.211 1.00 0.00 C ATOM 985 O GLN A 62 124.552 -9.392 -0.243 1.00 0.00 O ATOM 986 CB GLN A 62 125.693 -11.127 -2.055 1.00 0.00 C ATOM 987 CG GLN A 62 126.148 -11.902 -3.292 1.00 0.00 C ATOM 988 CD GLN A 62 126.241 -13.388 -2.948 1.00 0.00 C ATOM 989 OE1 GLN A 62 127.016 -13.780 -2.100 1.00 0.00 O ATOM 990 NE2 GLN A 62 125.472 -14.237 -3.575 1.00 0.00 N ATOM 0 H GLN A 62 127.053 -8.862 -3.736 1.00 0.00 H new ATOM 0 HA GLN A 62 124.871 -9.483 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.407 -11.265 -1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.734 -11.509 -1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.445 -11.749 -4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.116 -11.534 -3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 62 124.821 -13.906 -4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 62 125.522 -15.231 -3.352 1.00 0.00 H new ATOM 999 N ASN A 63 125.178 -7.565 -1.309 1.00 0.00 N ATOM 1000 CA ASN A 63 124.725 -6.639 -0.230 1.00 0.00 C ATOM 1001 C ASN A 63 123.710 -5.626 -0.770 1.00 0.00 C ATOM 1002 O ASN A 63 123.846 -4.432 -0.589 1.00 0.00 O ATOM 1003 CB ASN A 63 125.995 -5.927 0.264 1.00 0.00 C ATOM 1004 CG ASN A 63 126.745 -5.317 -0.923 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.263 -5.346 -2.037 1.00 0.00 O ATOM 1006 ND2 ASN A 63 127.907 -4.753 -0.732 1.00 0.00 N ATOM 0 H ASN A 63 125.594 -7.098 -2.114 1.00 0.00 H new ATOM 0 HA ASN A 63 124.226 -7.177 0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 63 125.731 -5.147 0.978 1.00 0.00 H new ATOM 0 HB3 ASN A 63 126.639 -6.634 0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.408 -4.338 -1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.314 -4.727 0.203 1.00 0.00 H new ATOM 1013 N GLY A 64 122.673 -6.105 -1.406 1.00 0.00 N ATOM 1014 CA GLY A 64 121.616 -5.189 -1.938 1.00 0.00 C ATOM 1015 C GLY A 64 120.384 -5.241 -1.021 1.00 0.00 C ATOM 1016 O GLY A 64 120.072 -6.268 -0.448 1.00 0.00 O ATOM 0 H GLY A 64 122.510 -7.097 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 64 121.998 -4.170 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.341 -5.483 -2.951 1.00 0.00 H new ATOM 1020 N VAL A 65 119.677 -4.145 -0.881 1.00 0.00 N ATOM 1021 CA VAL A 65 118.463 -4.150 -0.002 1.00 0.00 C ATOM 1022 C VAL A 65 117.255 -3.598 -0.760 1.00 0.00 C ATOM 1023 O VAL A 65 117.331 -2.584 -1.424 1.00 0.00 O ATOM 1024 CB VAL A 65 118.809 -3.242 1.186 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.582 -3.027 2.079 1.00 0.00 C ATOM 1026 CG2 VAL A 65 119.904 -3.893 2.011 1.00 0.00 C ATOM 0 H VAL A 65 119.885 -3.254 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 65 118.204 -5.158 0.323 1.00 0.00 H new ATOM 0 HB VAL A 65 119.142 -2.278 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 65 117.849 -2.381 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 65 116.787 -2.559 1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.236 -3.988 2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.153 -3.251 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.557 -4.859 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.789 -4.037 1.392 1.00 0.00 H new ATOM 1036 N LEU A 66 116.139 -4.259 -0.650 1.00 0.00 N ATOM 1037 CA LEU A 66 114.919 -3.779 -1.346 1.00 0.00 C ATOM 1038 C LEU A 66 113.855 -3.414 -0.311 1.00 0.00 C ATOM 1039 O LEU A 66 113.532 -4.200 0.563 1.00 0.00 O ATOM 1040 CB LEU A 66 114.453 -4.977 -2.168 1.00 0.00 C ATOM 1041 CG LEU A 66 113.283 -4.568 -3.067 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.701 -3.418 -3.988 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.865 -5.770 -3.918 1.00 0.00 C ATOM 0 H LEU A 66 116.020 -5.114 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 66 115.101 -2.898 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.275 -5.354 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.148 -5.787 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 66 112.450 -4.239 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.861 -3.136 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 66 114.004 -2.562 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.536 -3.737 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 66 112.032 -5.488 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.706 -6.091 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.559 -6.588 -3.266 1.00 0.00 H new ATOM 1055 N ILE A 67 113.310 -2.237 -0.403 1.00 0.00 N ATOM 1056 CA ILE A 67 112.263 -1.850 0.584 1.00 0.00 C ATOM 1057 C ILE A 67 110.887 -1.954 -0.067 1.00 0.00 C ATOM 1058 O ILE A 67 110.551 -1.205 -0.959 1.00 0.00 O ATOM 1059 CB ILE A 67 112.585 -0.415 0.993 1.00 0.00 C ATOM 1060 CG1 ILE A 67 113.977 -0.375 1.629 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.545 0.073 2.006 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.434 1.077 1.776 1.00 0.00 C ATOM 0 H ILE A 67 113.537 -1.534 -1.106 1.00 0.00 H new ATOM 0 HA ILE A 67 112.250 -2.501 1.458 1.00 0.00 H new ATOM 0 HB ILE A 67 112.564 0.231 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 67 113.956 -0.860 2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.685 -0.929 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 67 111.775 1.098 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.553 0.038 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.566 -0.569 2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.425 1.102 2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.472 1.548 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.731 1.617 2.410 1.00 0.00 H new ATOM 1074 N TYR A 68 110.086 -2.882 0.374 1.00 0.00 N ATOM 1075 CA TYR A 68 108.735 -3.032 -0.226 1.00 0.00 C ATOM 1076 C TYR A 68 107.707 -2.349 0.672 1.00 0.00 C ATOM 1077 O TYR A 68 107.525 -2.717 1.815 1.00 0.00 O ATOM 1078 CB TYR A 68 108.488 -4.541 -0.275 1.00 0.00 C ATOM 1079 CG TYR A 68 107.241 -4.823 -1.078 1.00 0.00 C ATOM 1080 CD1 TYR A 68 105.988 -4.774 -0.455 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.333 -5.128 -2.444 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.827 -5.031 -1.193 1.00 0.00 C ATOM 1083 CE2 TYR A 68 106.171 -5.385 -3.181 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.918 -5.336 -2.557 1.00 0.00 C ATOM 1085 OH TYR A 68 103.773 -5.589 -3.285 1.00 0.00 O ATOM 0 H TYR A 68 110.308 -3.540 1.121 1.00 0.00 H new ATOM 0 HA TYR A 68 108.658 -2.581 -1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.344 -5.046 -0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.379 -4.935 0.735 1.00 0.00 H new ATOM 0 HD1 TYR A 68 105.917 -4.538 0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.299 -5.164 -2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.861 -4.994 -0.711 1.00 0.00 H new ATOM 0 HE2 TYR A 68 106.241 -5.621 -4.232 1.00 0.00 H new ATOM 0 HH TYR A 68 103.110 -6.026 -2.711 1.00 0.00 H new ATOM 1095 N VAL A 69 107.053 -1.347 0.172 1.00 0.00 N ATOM 1096 CA VAL A 69 106.059 -0.626 1.008 1.00 0.00 C ATOM 1097 C VAL A 69 104.663 -0.721 0.391 1.00 0.00 C ATOM 1098 O VAL A 69 104.452 -0.449 -0.776 1.00 0.00 O ATOM 1099 CB VAL A 69 106.550 0.830 1.029 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.518 1.730 1.723 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.878 0.905 1.787 1.00 0.00 C ATOM 0 H VAL A 69 107.162 -0.994 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 69 105.979 -1.047 2.010 1.00 0.00 H new ATOM 0 HB VAL A 69 106.687 1.173 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.879 2.758 1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.572 1.681 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.369 1.390 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.230 1.937 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.734 0.554 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.617 0.278 1.289 1.00 0.00 H new ATOM 1111 N ALA A 70 103.708 -1.083 1.201 1.00 0.00 N ATOM 1112 CA ALA A 70 102.300 -1.183 0.741 1.00 0.00 C ATOM 1113 C ALA A 70 101.566 0.081 1.180 1.00 0.00 C ATOM 1114 O ALA A 70 101.205 0.224 2.332 1.00 0.00 O ATOM 1115 CB ALA A 70 101.740 -2.399 1.478 1.00 0.00 C ATOM 0 H ALA A 70 103.850 -1.318 2.183 1.00 0.00 H new ATOM 0 HA ALA A 70 102.199 -1.283 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.698 -2.547 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.318 -3.284 1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.805 -2.234 2.554 1.00 0.00 H new ATOM 1121 N VAL A 71 101.367 1.012 0.293 1.00 0.00 N ATOM 1122 CA VAL A 71 100.681 2.273 0.697 1.00 0.00 C ATOM 1123 C VAL A 71 99.196 2.024 0.985 1.00 0.00 C ATOM 1124 O VAL A 71 98.566 2.797 1.680 1.00 0.00 O ATOM 1125 CB VAL A 71 100.846 3.228 -0.483 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.328 3.547 -0.689 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.289 2.570 -1.747 1.00 0.00 C ATOM 0 H VAL A 71 101.646 0.958 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 71 101.109 2.682 1.612 1.00 0.00 H new ATOM 0 HB VAL A 71 100.305 4.152 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.440 4.229 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.728 4.014 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 71 102.874 2.626 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.405 3.249 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.833 1.646 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.232 2.345 -1.605 1.00 0.00 H new ATOM 1137 N GLU A 72 98.627 0.952 0.487 1.00 0.00 N ATOM 1138 CA GLU A 72 97.185 0.691 0.789 1.00 0.00 C ATOM 1139 C GLU A 72 97.037 0.375 2.278 1.00 0.00 C ATOM 1140 O GLU A 72 96.151 0.870 2.945 1.00 0.00 O ATOM 1141 CB GLU A 72 96.797 -0.521 -0.061 1.00 0.00 C ATOM 1142 CG GLU A 72 96.897 -0.156 -1.543 1.00 0.00 C ATOM 1143 CD GLU A 72 95.903 0.960 -1.878 1.00 0.00 C ATOM 1144 OE1 GLU A 72 94.973 1.153 -1.113 1.00 0.00 O ATOM 1145 OE2 GLU A 72 96.094 1.604 -2.897 1.00 0.00 O1- ATOM 0 H GLU A 72 99.088 0.260 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 72 96.548 1.547 0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.454 -1.361 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.782 -0.837 0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.911 0.167 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.691 -1.033 -2.156 1.00 0.00 H new ATOM 1152 N ASP A 73 97.910 -0.437 2.807 1.00 0.00 N ATOM 1153 CA ASP A 73 97.830 -0.773 4.260 1.00 0.00 C ATOM 1154 C ASP A 73 98.889 0.014 5.063 1.00 0.00 C ATOM 1155 O ASP A 73 99.029 -0.169 6.257 1.00 0.00 O ATOM 1156 CB ASP A 73 98.097 -2.280 4.333 1.00 0.00 C ATOM 1157 CG ASP A 73 96.998 -3.047 3.585 1.00 0.00 C ATOM 1158 OD1 ASP A 73 96.031 -2.422 3.180 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 97.146 -4.248 3.425 1.00 0.00 O ATOM 0 H ASP A 73 98.674 -0.882 2.299 1.00 0.00 H new ATOM 0 HA ASP A 73 96.863 -0.509 4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.070 -2.506 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.131 -2.601 5.374 1.00 0.00 H new ATOM 1164 N LYS A 74 99.634 0.886 4.424 1.00 0.00 N ATOM 1165 CA LYS A 74 100.675 1.672 5.155 1.00 0.00 C ATOM 1166 C LYS A 74 101.670 0.745 5.866 1.00 0.00 C ATOM 1167 O LYS A 74 101.977 0.927 7.028 1.00 0.00 O ATOM 1168 CB LYS A 74 99.908 2.525 6.169 1.00 0.00 C ATOM 1169 CG LYS A 74 100.521 3.931 6.212 1.00 0.00 C ATOM 1170 CD LYS A 74 99.670 4.847 7.098 1.00 0.00 C ATOM 1171 CE LYS A 74 100.296 6.245 7.144 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.383 7.051 8.006 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.564 1.086 3.426 1.00 0.00 H new ATOM 0 HA LYS A 74 101.263 2.286 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.855 2.583 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.953 2.065 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.539 3.881 6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.582 4.341 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.654 4.905 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.602 4.435 8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.303 6.212 7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.376 6.674 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.747 8.022 8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.433 7.070 7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.332 6.623 8.953 1.00 0.00 H new ATOM 1186 N THR A 75 102.190 -0.236 5.176 1.00 0.00 N ATOM 1187 CA THR A 75 103.176 -1.155 5.819 1.00 0.00 C ATOM 1188 C THR A 75 104.488 -1.143 5.034 1.00 0.00 C ATOM 1189 O THR A 75 104.549 -0.688 3.909 1.00 0.00 O ATOM 1190 CB THR A 75 102.546 -2.549 5.784 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.335 -2.944 4.437 1.00 0.00 O ATOM 1192 CG2 THR A 75 101.213 -2.534 6.532 1.00 0.00 C ATOM 0 H THR A 75 101.976 -0.440 4.200 1.00 0.00 H new ATOM 0 HA THR A 75 103.402 -0.851 6.841 1.00 0.00 H new ATOM 0 HB THR A 75 103.218 -3.259 6.266 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.933 -3.838 4.417 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.769 -3.529 6.504 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.381 -2.241 7.568 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.538 -1.822 6.058 1.00 0.00 H new ATOM 1200 N PHE A 76 105.540 -1.631 5.629 1.00 0.00 N ATOM 1201 CA PHE A 76 106.858 -1.645 4.938 1.00 0.00 C ATOM 1202 C PHE A 76 107.634 -2.924 5.302 1.00 0.00 C ATOM 1203 O PHE A 76 107.617 -3.369 6.432 1.00 0.00 O ATOM 1204 CB PHE A 76 107.578 -0.397 5.480 1.00 0.00 C ATOM 1205 CG PHE A 76 107.811 -0.540 6.969 1.00 0.00 C ATOM 1206 CD1 PHE A 76 108.959 -1.193 7.430 1.00 0.00 C ATOM 1207 CD2 PHE A 76 106.880 -0.030 7.883 1.00 0.00 C ATOM 1208 CE1 PHE A 76 109.177 -1.339 8.804 1.00 0.00 C ATOM 1209 CE2 PHE A 76 107.100 -0.175 9.259 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.248 -0.831 9.719 1.00 0.00 C ATOM 0 H PHE A 76 105.543 -2.023 6.571 1.00 0.00 H new ATOM 0 HA PHE A 76 106.769 -1.634 3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.530 -0.264 4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.981 0.493 5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 76 109.677 -1.585 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 76 105.994 0.474 7.527 1.00 0.00 H new ATOM 0 HE1 PHE A 76 110.063 -1.844 9.159 1.00 0.00 H new ATOM 0 HE2 PHE A 76 106.384 0.219 9.965 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.417 -0.945 10.780 1.00 0.00 H new ATOM 1220 N VAL A 77 108.327 -3.503 4.358 1.00 0.00 N ATOM 1221 CA VAL A 77 109.119 -4.733 4.653 1.00 0.00 C ATOM 1222 C VAL A 77 110.556 -4.492 4.189 1.00 0.00 C ATOM 1223 O VAL A 77 110.778 -3.965 3.116 1.00 0.00 O ATOM 1224 CB VAL A 77 108.462 -5.853 3.834 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.324 -7.122 3.891 1.00 0.00 C ATOM 1226 CG2 VAL A 77 107.076 -6.160 4.403 1.00 0.00 C ATOM 0 H VAL A 77 108.379 -3.177 3.393 1.00 0.00 H new ATOM 0 HA VAL A 77 109.138 -4.991 5.712 1.00 0.00 H new ATOM 0 HB VAL A 77 108.371 -5.526 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.850 -7.911 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.311 -6.910 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.424 -7.448 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.611 -6.955 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.171 -6.479 5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.456 -5.265 4.354 1.00 0.00 H new ATOM 1236 N ILE A 78 111.533 -4.861 4.970 1.00 0.00 N ATOM 1237 CA ILE A 78 112.940 -4.632 4.534 1.00 0.00 C ATOM 1238 C ILE A 78 113.636 -5.978 4.300 1.00 0.00 C ATOM 1239 O ILE A 78 113.707 -6.816 5.177 1.00 0.00 O ATOM 1240 CB ILE A 78 113.593 -3.858 5.683 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.781 -2.594 5.978 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.013 -3.452 5.278 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.318 -1.929 7.246 1.00 0.00 C ATOM 0 H ILE A 78 111.421 -5.306 5.881 1.00 0.00 H new ATOM 0 HA ILE A 78 113.007 -4.078 3.597 1.00 0.00 H new ATOM 0 HB ILE A 78 113.625 -4.490 6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 78 112.845 -1.903 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.728 -2.846 6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.480 -2.901 6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.599 -4.345 5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 78 114.972 -2.821 4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.741 -1.029 7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.231 -2.621 8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.365 -1.663 7.102 1.00 0.00 H new ATOM 1255 N TYR A 79 114.141 -6.186 3.113 1.00 0.00 N ATOM 1256 CA TYR A 79 114.828 -7.474 2.798 1.00 0.00 C ATOM 1257 C TYR A 79 116.207 -7.216 2.192 1.00 0.00 C ATOM 1258 O TYR A 79 116.329 -6.727 1.087 1.00 0.00 O ATOM 1259 CB TYR A 79 113.926 -8.166 1.773 1.00 0.00 C ATOM 1260 CG TYR A 79 114.518 -9.511 1.415 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.886 -10.400 2.431 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.709 -9.868 0.070 1.00 0.00 C ATOM 1263 CE1 TYR A 79 115.441 -11.643 2.109 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.266 -11.112 -0.251 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.631 -11.999 0.769 1.00 0.00 C ATOM 1266 OH TYR A 79 116.180 -13.225 0.452 1.00 0.00 O ATOM 0 H TYR A 79 114.107 -5.516 2.344 1.00 0.00 H new ATOM 0 HA TYR A 79 114.982 -8.079 3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.923 -8.294 2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.830 -7.548 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.741 -10.126 3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.426 -9.183 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 79 115.723 -12.328 2.895 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.414 -11.387 -1.285 1.00 0.00 H new ATOM 0 HH TYR A 79 116.242 -13.314 -0.522 1.00 0.00 H new ATOM 1276 N GLY A 80 117.248 -7.568 2.895 1.00 0.00 N ATOM 1277 CA GLY A 80 118.612 -7.367 2.344 1.00 0.00 C ATOM 1278 C GLY A 80 119.071 -8.674 1.705 1.00 0.00 C ATOM 1279 O GLY A 80 118.484 -9.719 1.902 1.00 0.00 O ATOM 0 H GLY A 80 117.211 -7.985 3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.608 -6.565 1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.300 -7.069 3.135 1.00 0.00 H new ATOM 1283 N ASP A 81 120.109 -8.619 0.929 1.00 0.00 N ATOM 1284 CA ASP A 81 120.600 -9.853 0.262 1.00 0.00 C ATOM 1285 C ASP A 81 121.332 -10.734 1.282 1.00 0.00 C ATOM 1286 O ASP A 81 121.507 -10.358 2.424 1.00 0.00 O ATOM 1287 CB ASP A 81 121.543 -9.354 -0.832 1.00 0.00 C ATOM 1288 CG ASP A 81 121.944 -10.508 -1.758 1.00 0.00 C ATOM 1289 OD1 ASP A 81 121.410 -11.593 -1.598 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 122.775 -10.281 -2.621 1.00 0.00 O ATOM 0 H ASP A 81 120.641 -7.773 0.726 1.00 0.00 H new ATOM 0 HA ASP A 81 119.799 -10.464 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 81 121.057 -8.568 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.433 -8.915 -0.381 1.00 0.00 H new ATOM 1295 N LYS A 82 121.743 -11.905 0.887 1.00 0.00 N ATOM 1296 CA LYS A 82 122.443 -12.816 1.838 1.00 0.00 C ATOM 1297 C LYS A 82 123.712 -12.154 2.386 1.00 0.00 C ATOM 1298 O LYS A 82 124.171 -12.469 3.465 1.00 0.00 O ATOM 1299 CB LYS A 82 122.798 -14.056 1.018 1.00 0.00 C ATOM 1300 CG LYS A 82 123.324 -15.156 1.945 1.00 0.00 C ATOM 1301 CD LYS A 82 123.624 -16.411 1.123 1.00 0.00 C ATOM 1302 CE LYS A 82 124.130 -17.523 2.046 1.00 0.00 C ATOM 1303 NZ LYS A 82 124.352 -18.690 1.148 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.625 -12.273 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 82 121.820 -13.060 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 82 121.920 -14.411 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.551 -13.806 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 82 124.226 -14.817 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 82 122.587 -15.380 2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.725 -16.739 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 82 124.372 -16.189 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 82 125.051 -17.230 2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 82 123.401 -17.755 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 124.700 -19.496 1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 123.456 -18.949 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 125.055 -18.441 0.423 1.00 0.00 H new ATOM 1317 N GLY A 83 124.294 -11.253 1.640 1.00 0.00 N ATOM 1318 CA GLY A 83 125.547 -10.591 2.113 1.00 0.00 C ATOM 1319 C GLY A 83 125.272 -9.745 3.360 1.00 0.00 C ATOM 1320 O GLY A 83 125.930 -9.907 4.374 1.00 0.00 O ATOM 0 H GLY A 83 123.958 -10.947 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.301 -11.346 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 83 125.953 -9.961 1.322 1.00 0.00 H new ATOM 1324 N ILE A 84 124.302 -8.867 3.324 1.00 0.00 N ATOM 1325 CA ILE A 84 124.008 -8.059 4.544 1.00 0.00 C ATOM 1326 C ILE A 84 123.520 -8.998 5.643 1.00 0.00 C ATOM 1327 O ILE A 84 123.898 -8.871 6.782 1.00 0.00 O ATOM 1328 CB ILE A 84 122.928 -7.067 4.123 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.538 -6.058 3.155 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.379 -6.326 5.345 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.417 -5.297 2.467 1.00 0.00 C ATOM 0 H ILE A 84 123.710 -8.677 2.516 1.00 0.00 H new ATOM 0 HA ILE A 84 124.877 -7.529 4.934 1.00 0.00 H new ATOM 0 HB ILE A 84 122.111 -7.607 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 84 124.189 -5.367 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.155 -6.570 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.610 -5.622 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 84 121.949 -7.044 6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.187 -5.784 5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.842 -4.572 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.785 -5.996 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.819 -4.775 3.214 1.00 0.00 H new ATOM 1343 N ASN A 85 122.653 -9.913 5.323 1.00 0.00 N ATOM 1344 CA ASN A 85 122.118 -10.817 6.378 1.00 0.00 C ATOM 1345 C ASN A 85 123.234 -11.650 7.017 1.00 0.00 C ATOM 1346 O ASN A 85 123.227 -11.898 8.206 1.00 0.00 O ATOM 1347 CB ASN A 85 121.119 -11.715 5.656 1.00 0.00 C ATOM 1348 CG ASN A 85 119.819 -10.944 5.425 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.615 -9.889 5.993 1.00 0.00 O ATOM 1350 ND2 ASN A 85 118.922 -11.434 4.616 1.00 0.00 N ATOM 0 H ASN A 85 122.292 -10.075 4.383 1.00 0.00 H new ATOM 0 HA ASN A 85 121.657 -10.258 7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.533 -12.046 4.703 1.00 0.00 H new ATOM 0 HB3 ASN A 85 120.924 -12.610 6.247 1.00 0.00 H new ATOM 0 HD21 ASN A 85 118.048 -10.932 4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 85 119.094 -12.319 4.140 1.00 0.00 H new ATOM 1357 N ASP A 86 124.185 -12.091 6.245 1.00 0.00 N ATOM 1358 CA ASP A 86 125.294 -12.916 6.809 1.00 0.00 C ATOM 1359 C ASP A 86 126.280 -12.089 7.647 1.00 0.00 C ATOM 1360 O ASP A 86 126.997 -12.626 8.469 1.00 0.00 O ATOM 1361 CB ASP A 86 126.008 -13.479 5.578 1.00 0.00 C ATOM 1362 CG ASP A 86 125.303 -14.755 5.100 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.431 -15.234 5.807 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 125.659 -15.239 4.039 1.00 0.00 O ATOM 0 H ASP A 86 124.245 -11.916 5.242 1.00 0.00 H new ATOM 0 HA ASP A 86 124.907 -13.681 7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.014 -12.737 4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 86 127.048 -13.697 5.819 1.00 0.00 H new ATOM 1369 N VAL A 87 126.358 -10.801 7.430 1.00 0.00 N ATOM 1370 CA VAL A 87 127.342 -9.985 8.209 1.00 0.00 C ATOM 1371 C VAL A 87 126.681 -9.213 9.367 1.00 0.00 C ATOM 1372 O VAL A 87 127.354 -8.793 10.288 1.00 0.00 O ATOM 1373 CB VAL A 87 127.953 -9.021 7.179 1.00 0.00 C ATOM 1374 CG1 VAL A 87 126.905 -8.004 6.721 1.00 0.00 C ATOM 1375 CG2 VAL A 87 129.133 -8.279 7.807 1.00 0.00 C ATOM 0 H VAL A 87 125.792 -10.283 6.757 1.00 0.00 H new ATOM 0 HA VAL A 87 128.090 -10.618 8.686 1.00 0.00 H new ATOM 0 HB VAL A 87 128.295 -9.597 6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.350 -7.327 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 87 126.065 -8.528 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.553 -7.432 7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.565 -7.596 7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.788 -7.713 8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.889 -8.998 8.122 1.00 0.00 H new ATOM 1385 N VAL A 88 125.387 -9.012 9.338 1.00 0.00 N ATOM 1386 CA VAL A 88 124.740 -8.254 10.455 1.00 0.00 C ATOM 1387 C VAL A 88 123.689 -9.106 11.184 1.00 0.00 C ATOM 1388 O VAL A 88 123.258 -10.134 10.700 1.00 0.00 O ATOM 1389 CB VAL A 88 124.077 -7.038 9.805 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.113 -6.234 9.019 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.959 -7.496 8.871 1.00 0.00 C ATOM 0 H VAL A 88 124.758 -9.334 8.602 1.00 0.00 H new ATOM 0 HA VAL A 88 125.477 -7.968 11.205 1.00 0.00 H new ATOM 0 HB VAL A 88 123.655 -6.405 10.585 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.632 -5.371 8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 88 125.899 -5.895 9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.548 -6.862 8.242 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.490 -6.626 8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.374 -8.138 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.214 -8.051 9.441 1.00 0.00 H new ATOM 1401 N SER A 89 123.300 -8.691 12.353 1.00 0.00 N ATOM 1402 CA SER A 89 122.302 -9.477 13.136 1.00 0.00 C ATOM 1403 C SER A 89 120.942 -8.769 13.186 1.00 0.00 C ATOM 1404 O SER A 89 120.762 -7.690 12.649 1.00 0.00 O ATOM 1405 CB SER A 89 122.904 -9.565 14.535 1.00 0.00 C ATOM 1406 OG SER A 89 122.833 -8.288 15.154 1.00 0.00 O ATOM 0 H SER A 89 123.629 -7.838 12.805 1.00 0.00 H new ATOM 0 HA SER A 89 122.116 -10.454 12.690 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.365 -10.302 15.130 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.940 -9.898 14.478 1.00 0.00 H new ATOM 0 HG SER A 89 123.217 -8.339 16.054 1.00 0.00 H new ATOM 1412 N ASP A 90 119.987 -9.366 13.848 1.00 0.00 N ATOM 1413 CA ASP A 90 118.642 -8.733 13.956 1.00 0.00 C ATOM 1414 C ASP A 90 118.772 -7.395 14.686 1.00 0.00 C ATOM 1415 O ASP A 90 118.133 -6.421 14.341 1.00 0.00 O ATOM 1416 CB ASP A 90 117.805 -9.715 14.783 1.00 0.00 C ATOM 1417 CG ASP A 90 116.365 -9.201 14.918 1.00 0.00 C ATOM 1418 OD1 ASP A 90 116.090 -8.115 14.435 1.00 0.00 O1- ATOM 1419 OD2 ASP A 90 115.559 -9.912 15.497 1.00 0.00 O ATOM 0 H ASP A 90 120.081 -10.266 14.319 1.00 0.00 H new ATOM 0 HA ASP A 90 118.188 -8.537 12.985 1.00 0.00 H new ATOM 0 HB2 ASP A 90 117.806 -10.696 14.307 1.00 0.00 H new ATOM 0 HB3 ASP A 90 118.248 -9.840 15.771 1.00 0.00 H new ATOM 1424 N ASP A 91 119.611 -7.341 15.687 1.00 0.00 N ATOM 1425 CA ASP A 91 119.802 -6.066 16.434 1.00 0.00 C ATOM 1426 C ASP A 91 120.304 -4.986 15.476 1.00 0.00 C ATOM 1427 O ASP A 91 119.872 -3.851 15.532 1.00 0.00 O ATOM 1428 CB ASP A 91 120.852 -6.376 17.503 1.00 0.00 C ATOM 1429 CG ASP A 91 120.931 -5.222 18.508 1.00 0.00 C ATOM 1430 OD1 ASP A 91 120.403 -4.162 18.213 1.00 0.00 O1- ATOM 1431 OD2 ASP A 91 121.520 -5.420 19.559 1.00 0.00 O ATOM 0 H ASP A 91 120.172 -8.126 16.019 1.00 0.00 H new ATOM 0 HA ASP A 91 118.878 -5.699 16.882 1.00 0.00 H new ATOM 0 HB2 ASP A 91 120.596 -7.302 18.019 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.825 -6.530 17.036 1.00 0.00 H new ATOM 1436 N PHE A 92 121.185 -5.329 14.578 1.00 0.00 N ATOM 1437 CA PHE A 92 121.669 -4.312 13.606 1.00 0.00 C ATOM 1438 C PHE A 92 120.518 -3.892 12.689 1.00 0.00 C ATOM 1439 O PHE A 92 120.512 -2.814 12.131 1.00 0.00 O ATOM 1440 CB PHE A 92 122.795 -4.971 12.812 1.00 0.00 C ATOM 1441 CG PHE A 92 123.304 -3.993 11.782 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.201 -2.989 12.158 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.875 -4.090 10.455 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.671 -2.078 11.204 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.344 -3.179 9.500 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.243 -2.173 9.875 1.00 0.00 C ATOM 0 H PHE A 92 121.587 -6.261 14.476 1.00 0.00 H new ATOM 0 HA PHE A 92 122.033 -3.413 14.104 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.603 -5.269 13.480 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.433 -5.877 12.325 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.531 -2.916 13.184 1.00 0.00 H new ATOM 0 HD2 PHE A 92 122.182 -4.867 10.166 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.364 -1.302 11.494 1.00 0.00 H new ATOM 0 HE2 PHE A 92 123.012 -3.252 8.475 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.606 -1.471 9.139 1.00 0.00 H new ATOM 1456 N TRP A 93 119.538 -4.744 12.536 1.00 0.00 N ATOM 1457 CA TRP A 93 118.379 -4.407 11.662 1.00 0.00 C ATOM 1458 C TRP A 93 117.301 -3.661 12.457 1.00 0.00 C ATOM 1459 O TRP A 93 116.480 -2.948 11.914 1.00 0.00 O ATOM 1460 CB TRP A 93 117.857 -5.757 11.175 1.00 0.00 C ATOM 1461 CG TRP A 93 118.466 -6.062 9.845 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.753 -6.419 9.639 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.838 -6.037 8.536 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.954 -6.604 8.284 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.804 -6.383 7.564 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.538 -5.748 8.104 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.491 -6.438 6.208 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.215 -5.806 6.740 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.190 -6.150 5.795 1.00 0.00 C ATOM 0 H TRP A 93 119.492 -5.661 12.981 1.00 0.00 H new ATOM 0 HA TRP A 93 118.659 -3.752 10.837 1.00 0.00 H new ATOM 0 HB2 TRP A 93 118.108 -6.539 11.892 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.770 -5.734 11.095 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.502 -6.540 10.408 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.846 -6.872 7.869 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.780 -5.479 8.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.248 -6.701 5.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.209 -5.584 6.417 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.935 -6.192 4.747 1.00 0.00 H new ATOM 1480 N ASP A 94 117.270 -3.871 13.742 1.00 0.00 N ATOM 1481 CA ASP A 94 116.217 -3.240 14.587 1.00 0.00 C ATOM 1482 C ASP A 94 116.223 -1.711 14.466 1.00 0.00 C ATOM 1483 O ASP A 94 115.175 -1.089 14.492 1.00 0.00 O ATOM 1484 CB ASP A 94 116.558 -3.676 16.011 1.00 0.00 C ATOM 1485 CG ASP A 94 115.402 -3.339 16.955 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.320 -3.062 16.465 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 115.620 -3.365 18.155 1.00 0.00 O ATOM 0 H ASP A 94 117.934 -4.457 14.248 1.00 0.00 H new ATOM 0 HA ASP A 94 115.217 -3.548 14.281 1.00 0.00 H new ATOM 0 HB2 ASP A 94 116.756 -4.748 16.034 1.00 0.00 H new ATOM 0 HB3 ASP A 94 117.468 -3.177 16.345 1.00 0.00 H new ATOM 1492 N THR A 95 117.370 -1.086 14.353 1.00 0.00 N ATOM 1493 CA THR A 95 117.371 0.405 14.251 1.00 0.00 C ATOM 1494 C THR A 95 116.740 0.822 12.915 1.00 0.00 C ATOM 1495 O THR A 95 116.111 1.854 12.792 1.00 0.00 O ATOM 1496 CB THR A 95 118.840 0.830 14.350 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.601 0.158 13.350 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.376 0.478 15.742 1.00 0.00 C ATOM 0 H THR A 95 118.287 -1.533 14.327 1.00 0.00 H new ATOM 0 HA THR A 95 116.788 0.884 15.038 1.00 0.00 H new ATOM 0 HB THR A 95 118.922 1.906 14.194 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.540 0.432 13.414 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.421 0.779 15.816 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.793 1.002 16.500 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.296 -0.597 15.902 1.00 0.00 H new ATOM 1506 N THR A 96 116.917 -0.009 11.919 1.00 0.00 N ATOM 1507 CA THR A 96 116.358 0.262 10.555 1.00 0.00 C ATOM 1508 C THR A 96 114.833 0.361 10.595 1.00 0.00 C ATOM 1509 O THR A 96 114.223 1.273 10.065 1.00 0.00 O ATOM 1510 CB THR A 96 116.719 -1.001 9.762 1.00 0.00 C ATOM 1511 OG1 THR A 96 118.089 -1.314 9.968 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.477 -0.758 8.271 1.00 0.00 C ATOM 0 H THR A 96 117.437 -0.883 11.994 1.00 0.00 H new ATOM 0 HA THR A 96 116.744 1.193 10.139 1.00 0.00 H new ATOM 0 HB THR A 96 116.098 -1.829 10.102 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.324 -2.112 9.450 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.734 -1.656 7.710 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.427 -0.516 8.108 1.00 0.00 H new ATOM 0 HG23 THR A 96 117.098 0.072 7.932 1.00 0.00 H new ATOM 1520 N ARG A 97 114.226 -0.611 11.223 1.00 0.00 N ATOM 1521 CA ARG A 97 112.740 -0.664 11.327 1.00 0.00 C ATOM 1522 C ARG A 97 112.191 0.438 12.239 1.00 0.00 C ATOM 1523 O ARG A 97 111.142 0.994 11.976 1.00 0.00 O ATOM 1524 CB ARG A 97 112.449 -2.045 11.915 1.00 0.00 C ATOM 1525 CG ARG A 97 112.760 -3.119 10.866 1.00 0.00 C ATOM 1526 CD ARG A 97 112.524 -4.509 11.462 1.00 0.00 C ATOM 1527 NE ARG A 97 112.833 -5.460 10.356 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.543 -6.728 10.484 1.00 0.00 C ATOM 1529 NH1 ARG A 97 112.868 -7.363 11.576 1.00 0.00 N1+ ATOM 1530 NH2 ARG A 97 111.933 -7.362 9.519 1.00 0.00 N ATOM 0 H ARG A 97 114.709 -1.386 11.677 1.00 0.00 H new ATOM 0 HA ARG A 97 112.263 -0.506 10.359 1.00 0.00 H new ATOM 0 HB2 ARG A 97 113.053 -2.207 12.808 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.405 -2.110 12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.129 -2.977 9.989 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.794 -3.027 10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.168 -4.683 12.324 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.495 -4.622 11.804 1.00 0.00 H new ATOM 0 HE ARG A 97 113.271 -5.121 9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 97 113.348 -6.870 12.329 1.00 0.00 H new ATOM 0 HH12 ARG A 97 112.642 -8.353 11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 97 111.682 -6.868 8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 97 111.708 -8.352 9.621 1.00 0.00 H new ATOM 1544 N ASN A 98 112.863 0.746 13.317 1.00 0.00 N ATOM 1545 CA ASN A 98 112.329 1.800 14.233 1.00 0.00 C ATOM 1546 C ASN A 98 112.277 3.156 13.521 1.00 0.00 C ATOM 1547 O ASN A 98 111.315 3.889 13.649 1.00 0.00 O ATOM 1548 CB ASN A 98 113.284 1.832 15.426 1.00 0.00 C ATOM 1549 CG ASN A 98 112.996 0.643 16.346 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.933 0.058 16.285 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.906 0.257 17.200 1.00 0.00 N ATOM 0 H ASN A 98 113.746 0.321 13.601 1.00 0.00 H new ATOM 0 HA ASN A 98 111.309 1.584 14.552 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.317 1.795 15.079 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.166 2.766 15.975 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.724 -0.536 17.816 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.798 0.748 17.251 1.00 0.00 H new ATOM 1558 N ALA A 99 113.290 3.506 12.774 1.00 0.00 N ATOM 1559 CA ALA A 99 113.276 4.819 12.058 1.00 0.00 C ATOM 1560 C ALA A 99 112.170 4.870 11.000 1.00 0.00 C ATOM 1561 O ALA A 99 111.395 5.805 10.948 1.00 0.00 O ATOM 1562 CB ALA A 99 114.643 4.899 11.379 1.00 0.00 C ATOM 0 H ALA A 99 114.127 2.941 12.628 1.00 0.00 H new ATOM 0 HA ALA A 99 113.087 5.646 12.743 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.721 5.836 10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.428 4.856 12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.757 4.062 10.690 1.00 0.00 H new ATOM 1568 N ILE A 100 112.079 3.876 10.161 1.00 0.00 N ATOM 1569 CA ILE A 100 111.014 3.880 9.118 1.00 0.00 C ATOM 1570 C ILE A 100 109.641 3.753 9.788 1.00 0.00 C ATOM 1571 O ILE A 100 108.693 4.417 9.423 1.00 0.00 O ATOM 1572 CB ILE A 100 111.329 2.671 8.230 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.649 2.926 7.497 1.00 0.00 C ATOM 1574 CG2 ILE A 100 110.220 2.466 7.190 1.00 0.00 C ATOM 1575 CD1 ILE A 100 113.127 1.633 6.834 1.00 0.00 C ATOM 0 H ILE A 100 112.694 3.062 10.152 1.00 0.00 H new ATOM 0 HA ILE A 100 110.988 4.799 8.532 1.00 0.00 H new ATOM 0 HB ILE A 100 111.401 1.781 8.855 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.515 3.704 6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.402 3.287 8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.460 1.604 6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 100 109.271 2.294 7.699 1.00 0.00 H new ATOM 0 HG23 ILE A 100 110.140 3.354 6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 100 114.067 1.817 6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.278 0.868 7.596 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.377 1.291 6.120 1.00 0.00 H new ATOM 1587 N GLN A 101 109.534 2.899 10.767 1.00 0.00 N ATOM 1588 CA GLN A 101 108.230 2.715 11.468 1.00 0.00 C ATOM 1589 C GLN A 101 107.782 4.012 12.155 1.00 0.00 C ATOM 1590 O GLN A 101 106.628 4.387 12.097 1.00 0.00 O ATOM 1591 CB GLN A 101 108.508 1.633 12.514 1.00 0.00 C ATOM 1592 CG GLN A 101 107.264 1.413 13.382 1.00 0.00 C ATOM 1593 CD GLN A 101 107.545 0.321 14.412 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.428 0.457 15.236 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.823 -0.765 14.403 1.00 0.00 N ATOM 0 H GLN A 101 110.296 2.317 11.114 1.00 0.00 H new ATOM 0 HA GLN A 101 107.432 2.442 10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.787 0.702 12.021 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.351 1.928 13.139 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.991 2.340 13.886 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.418 1.128 12.757 1.00 0.00 H new ATOM 0 HE21 GLN A 101 106.082 -0.879 13.711 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.999 -1.500 15.088 1.00 0.00 H new ATOM 1604 N LEU A 102 108.675 4.682 12.824 1.00 0.00 N ATOM 1605 CA LEU A 102 108.284 5.930 13.537 1.00 0.00 C ATOM 1606 C LEU A 102 107.811 7.017 12.565 1.00 0.00 C ATOM 1607 O LEU A 102 106.830 7.700 12.812 1.00 0.00 O ATOM 1608 CB LEU A 102 109.548 6.377 14.276 1.00 0.00 C ATOM 1609 CG LEU A 102 109.268 7.671 15.045 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.113 7.453 16.025 1.00 0.00 C ATOM 1611 CD2 LEU A 102 110.521 8.079 15.823 1.00 0.00 C ATOM 0 H LEU A 102 109.657 4.421 12.909 1.00 0.00 H new ATOM 0 HA LEU A 102 107.447 5.755 14.213 1.00 0.00 H new ATOM 0 HB2 LEU A 102 109.873 5.597 14.964 1.00 0.00 H new ATOM 0 HB3 LEU A 102 110.360 6.534 13.566 1.00 0.00 H new ATOM 0 HG LEU A 102 108.999 8.457 14.340 1.00 0.00 H new ATOM 0 HD11 LEU A 102 107.918 8.377 16.569 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.219 7.161 15.474 1.00 0.00 H new ATOM 0 HD13 LEU A 102 108.378 6.665 16.730 1.00 0.00 H new ATOM 0 HD21 LEU A 102 110.325 9.000 16.372 1.00 0.00 H new ATOM 0 HD22 LEU A 102 110.787 7.288 16.525 1.00 0.00 H new ATOM 0 HD23 LEU A 102 111.345 8.239 15.128 1.00 0.00 H new ATOM 1623 N GLN A 103 108.488 7.181 11.459 1.00 0.00 N ATOM 1624 CA GLN A 103 108.050 8.229 10.492 1.00 0.00 C ATOM 1625 C GLN A 103 106.769 7.768 9.789 1.00 0.00 C ATOM 1626 O GLN A 103 105.821 8.518 9.635 1.00 0.00 O ATOM 1627 CB GLN A 103 109.202 8.389 9.508 1.00 0.00 C ATOM 1628 CG GLN A 103 110.400 9.046 10.197 1.00 0.00 C ATOM 1629 CD GLN A 103 110.016 10.448 10.672 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.523 11.250 9.902 1.00 0.00 O ATOM 1631 NE2 GLN A 103 110.227 10.784 11.915 1.00 0.00 N ATOM 0 H GLN A 103 109.312 6.645 11.187 1.00 0.00 H new ATOM 0 HA GLN A 103 107.824 9.180 10.975 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.490 7.415 9.113 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.884 8.995 8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.722 8.440 11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 103 111.242 9.103 9.507 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.640 10.112 12.562 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.979 11.718 12.240 1.00 0.00 H new ATOM 1640 N PHE A 104 106.726 6.525 9.379 1.00 0.00 N ATOM 1641 CA PHE A 104 105.498 6.010 8.713 1.00 0.00 C ATOM 1642 C PHE A 104 104.325 6.170 9.674 1.00 0.00 C ATOM 1643 O PHE A 104 103.228 6.527 9.293 1.00 0.00 O ATOM 1644 CB PHE A 104 105.763 4.530 8.433 1.00 0.00 C ATOM 1645 CG PHE A 104 106.187 4.363 6.991 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.512 4.611 6.611 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.247 3.963 6.031 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.896 4.456 5.272 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.633 3.809 4.694 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.956 4.056 4.315 1.00 0.00 C ATOM 0 H PHE A 104 107.485 5.851 9.477 1.00 0.00 H new ATOM 0 HA PHE A 104 105.262 6.542 7.792 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.541 4.156 9.099 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.865 3.944 8.630 1.00 0.00 H new ATOM 0 HD1 PHE A 104 108.237 4.921 7.349 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.225 3.774 6.323 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.918 4.645 4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.909 3.499 3.955 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.253 3.938 3.283 1.00 0.00 H new ATOM 1660 N LYS A 105 104.568 5.912 10.933 1.00 0.00 N ATOM 1661 CA LYS A 105 103.497 6.049 11.951 1.00 0.00 C ATOM 1662 C LYS A 105 103.002 7.495 11.977 1.00 0.00 C ATOM 1663 O LYS A 105 101.836 7.755 12.196 1.00 0.00 O ATOM 1664 CB LYS A 105 104.173 5.688 13.271 1.00 0.00 C ATOM 1665 CG LYS A 105 103.142 5.647 14.397 1.00 0.00 C ATOM 1666 CD LYS A 105 103.849 5.243 15.690 1.00 0.00 C ATOM 1667 CE LYS A 105 102.841 5.204 16.841 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.643 4.820 18.036 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.472 5.610 11.297 1.00 0.00 H new ATOM 0 HA LYS A 105 102.633 5.415 11.750 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.665 4.719 13.183 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.947 6.419 13.503 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.669 6.622 14.513 1.00 0.00 H new ATOM 0 HG3 LYS A 105 102.351 4.936 14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 105 104.316 4.265 15.570 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.646 5.951 15.916 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.362 6.173 16.981 1.00 0.00 H new ATOM 0 HE3 LYS A 105 102.048 4.482 16.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 103.023 4.771 18.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 104.081 3.891 17.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.386 5.530 18.198 1.00 0.00 H new ATOM 1682 N GLN A 106 103.872 8.444 11.727 1.00 0.00 N ATOM 1683 CA GLN A 106 103.435 9.869 11.707 1.00 0.00 C ATOM 1684 C GLN A 106 102.725 10.174 10.380 1.00 0.00 C ATOM 1685 O GLN A 106 101.992 11.138 10.271 1.00 0.00 O ATOM 1686 CB GLN A 106 104.735 10.671 11.815 1.00 0.00 C ATOM 1687 CG GLN A 106 105.349 10.460 13.201 1.00 0.00 C ATOM 1688 CD GLN A 106 106.722 11.135 13.266 1.00 0.00 C ATOM 1689 OE1 GLN A 106 107.145 11.771 12.321 1.00 0.00 O ATOM 1690 NE2 GLN A 106 107.442 11.017 14.349 1.00 0.00 N ATOM 0 H GLN A 106 104.862 8.291 11.537 1.00 0.00 H new ATOM 0 HA GLN A 106 102.737 10.109 12.509 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.436 10.354 11.043 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.537 11.730 11.650 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.693 10.874 13.967 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.447 9.394 13.407 1.00 0.00 H new ATOM 0 HE21 GLN A 106 107.087 10.483 15.142 1.00 0.00 H new ATOM 0 HE22 GLN A 106 108.360 11.459 14.402 1.00 0.00 H new ATOM 1699 N GLY A 107 102.919 9.358 9.376 1.00 0.00 N ATOM 1700 CA GLY A 107 102.232 9.606 8.074 1.00 0.00 C ATOM 1701 C GLY A 107 103.203 10.183 7.036 1.00 0.00 C ATOM 1702 O GLY A 107 102.814 10.474 5.921 1.00 0.00 O ATOM 0 H GLY A 107 103.520 8.535 9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.808 8.674 7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.402 10.297 8.223 1.00 0.00 H new ATOM 1706 N ASN A 108 104.459 10.345 7.370 1.00 0.00 N ATOM 1707 CA ASN A 108 105.418 10.893 6.362 1.00 0.00 C ATOM 1708 C ASN A 108 106.258 9.752 5.781 1.00 0.00 C ATOM 1709 O ASN A 108 107.277 9.369 6.322 1.00 0.00 O ATOM 1710 CB ASN A 108 106.296 11.883 7.130 1.00 0.00 C ATOM 1711 CG ASN A 108 106.813 12.968 6.179 1.00 0.00 C ATOM 1712 OD1 ASN A 108 106.874 14.126 6.544 1.00 0.00 O ATOM 1713 ND2 ASN A 108 107.191 12.649 4.970 1.00 0.00 N ATOM 0 H ASN A 108 104.858 10.125 8.283 1.00 0.00 H new ATOM 0 HA ASN A 108 104.914 11.380 5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 108 105.724 12.338 7.939 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.135 11.359 7.588 1.00 0.00 H new ATOM 0 HD21 ASN A 108 107.536 13.370 4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 108 107.142 11.679 4.660 1.00 0.00 H new ATOM 1720 N PHE A 109 105.827 9.218 4.671 1.00 0.00 N ATOM 1721 CA PHE A 109 106.568 8.101 4.019 1.00 0.00 C ATOM 1722 C PHE A 109 107.968 8.550 3.580 1.00 0.00 C ATOM 1723 O PHE A 109 108.931 7.822 3.725 1.00 0.00 O ATOM 1724 CB PHE A 109 105.724 7.737 2.784 1.00 0.00 C ATOM 1725 CG PHE A 109 104.323 7.247 3.163 1.00 0.00 C ATOM 1726 CD1 PHE A 109 104.029 6.767 4.458 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.310 7.272 2.192 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.735 6.324 4.766 1.00 0.00 C ATOM 1729 CE2 PHE A 109 102.019 6.829 2.504 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.731 6.354 3.790 1.00 0.00 C ATOM 0 H PHE A 109 104.982 9.512 4.182 1.00 0.00 H new ATOM 0 HA PHE A 109 106.707 7.260 4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.639 8.609 2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.235 6.963 2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.802 6.741 5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.528 7.635 1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.512 5.959 5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.244 6.854 1.752 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.735 6.011 4.029 1.00 0.00 H new ATOM 1740 N LYS A 110 108.093 9.722 3.020 1.00 0.00 N ATOM 1741 CA LYS A 110 109.438 10.171 2.551 1.00 0.00 C ATOM 1742 C LYS A 110 110.425 10.340 3.713 1.00 0.00 C ATOM 1743 O LYS A 110 111.550 9.882 3.635 1.00 0.00 O ATOM 1744 CB LYS A 110 109.207 11.511 1.857 1.00 0.00 C ATOM 1745 CG LYS A 110 110.545 12.067 1.365 1.00 0.00 C ATOM 1746 CD LYS A 110 110.325 13.464 0.781 1.00 0.00 C ATOM 1747 CE LYS A 110 111.674 14.046 0.311 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.429 15.469 -0.128 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.332 10.383 2.867 1.00 0.00 H new ATOM 0 HA LYS A 110 109.879 9.429 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.523 11.385 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.740 12.214 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.258 12.112 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.971 11.407 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.628 13.414 -0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.877 14.116 1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.406 14.015 1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 110 112.080 13.456 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.625 15.557 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.438 15.724 0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 112.055 16.108 0.402 1.00 0.00 H new ATOM 1762 N GLN A 111 110.046 11.014 4.772 1.00 0.00 N ATOM 1763 CA GLN A 111 111.023 11.213 5.885 1.00 0.00 C ATOM 1764 C GLN A 111 111.412 9.860 6.474 1.00 0.00 C ATOM 1765 O GLN A 111 112.551 9.636 6.829 1.00 0.00 O ATOM 1766 CB GLN A 111 110.332 12.102 6.926 1.00 0.00 C ATOM 1767 CG GLN A 111 110.151 13.512 6.363 1.00 0.00 C ATOM 1768 CD GLN A 111 109.467 14.396 7.409 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.253 13.977 8.530 1.00 0.00 O ATOM 1770 NE2 GLN A 111 109.110 15.610 7.087 1.00 0.00 N ATOM 0 H GLN A 111 109.124 11.426 4.912 1.00 0.00 H new ATOM 0 HA GLN A 111 111.941 11.688 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.363 11.680 7.193 1.00 0.00 H new ATOM 0 HB3 GLN A 111 110.926 12.138 7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.119 13.934 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.552 13.478 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 111 109.289 15.962 6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 111 108.652 16.206 7.776 1.00 0.00 H new ATOM 1779 N GLY A 112 110.484 8.950 6.578 1.00 0.00 N ATOM 1780 CA GLY A 112 110.826 7.616 7.139 1.00 0.00 C ATOM 1781 C GLY A 112 111.823 6.904 6.226 1.00 0.00 C ATOM 1782 O GLY A 112 112.841 6.412 6.673 1.00 0.00 O ATOM 0 H GLY A 112 109.510 9.072 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.251 7.730 8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.923 7.014 7.244 1.00 0.00 H new ATOM 1786 N LEU A 113 111.540 6.831 4.956 1.00 0.00 N ATOM 1787 CA LEU A 113 112.479 6.133 4.034 1.00 0.00 C ATOM 1788 C LEU A 113 113.825 6.861 3.960 1.00 0.00 C ATOM 1789 O LEU A 113 114.866 6.238 3.990 1.00 0.00 O ATOM 1790 CB LEU A 113 111.783 6.130 2.673 1.00 0.00 C ATOM 1791 CG LEU A 113 110.574 5.193 2.728 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.796 5.275 1.414 1.00 0.00 C ATOM 1793 CD2 LEU A 113 111.057 3.757 2.947 1.00 0.00 C ATOM 0 H LEU A 113 110.705 7.221 4.518 1.00 0.00 H new ATOM 0 HA LEU A 113 112.701 5.123 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.464 7.139 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.476 5.804 1.897 1.00 0.00 H new ATOM 0 HG LEU A 113 109.922 5.490 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.936 4.606 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.453 6.298 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.444 4.980 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 113 110.199 3.086 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.709 3.463 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.608 3.698 3.886 1.00 0.00 H new ATOM 1805 N VAL A 114 113.830 8.167 3.857 1.00 0.00 N ATOM 1806 CA VAL A 114 115.139 8.888 3.771 1.00 0.00 C ATOM 1807 C VAL A 114 115.932 8.718 5.071 1.00 0.00 C ATOM 1808 O VAL A 114 117.103 8.395 5.049 1.00 0.00 O ATOM 1809 CB VAL A 114 114.786 10.360 3.532 1.00 0.00 C ATOM 1810 CG1 VAL A 114 116.059 11.211 3.557 1.00 0.00 C ATOM 1811 CG2 VAL A 114 114.119 10.506 2.166 1.00 0.00 C ATOM 0 H VAL A 114 112.999 8.758 3.829 1.00 0.00 H new ATOM 0 HA VAL A 114 115.766 8.495 2.970 1.00 0.00 H new ATOM 0 HB VAL A 114 114.108 10.696 4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.801 12.256 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.545 11.111 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.738 10.873 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.867 11.552 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.803 10.165 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.210 9.905 2.139 1.00 0.00 H new ATOM 1821 N ASP A 115 115.314 8.938 6.200 1.00 0.00 N ATOM 1822 CA ASP A 115 116.059 8.781 7.482 1.00 0.00 C ATOM 1823 C ASP A 115 116.495 7.327 7.647 1.00 0.00 C ATOM 1824 O ASP A 115 117.579 7.046 8.117 1.00 0.00 O ATOM 1825 CB ASP A 115 115.079 9.190 8.584 1.00 0.00 C ATOM 1826 CG ASP A 115 115.114 10.710 8.764 1.00 0.00 C ATOM 1827 OD1 ASP A 115 116.090 11.315 8.351 1.00 0.00 O1- ATOM 1828 OD2 ASP A 115 114.166 11.242 9.318 1.00 0.00 O ATOM 0 H ASP A 115 114.337 9.216 6.290 1.00 0.00 H new ATOM 0 HA ASP A 115 116.961 9.393 7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.070 8.867 8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.342 8.697 9.520 1.00 0.00 H new ATOM 1833 N GLY A 116 115.664 6.396 7.259 1.00 0.00 N ATOM 1834 CA GLY A 116 116.044 4.964 7.392 1.00 0.00 C ATOM 1835 C GLY A 116 117.268 4.687 6.519 1.00 0.00 C ATOM 1836 O GLY A 116 118.188 4.005 6.924 1.00 0.00 O ATOM 0 H GLY A 116 114.742 6.567 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.264 4.729 8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.214 4.325 7.089 1.00 0.00 H new ATOM 1840 N ILE A 117 117.296 5.221 5.328 1.00 0.00 N ATOM 1841 CA ILE A 117 118.474 4.992 4.445 1.00 0.00 C ATOM 1842 C ILE A 117 119.713 5.607 5.099 1.00 0.00 C ATOM 1843 O ILE A 117 120.773 5.014 5.119 1.00 0.00 O ATOM 1844 CB ILE A 117 118.131 5.696 3.122 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.983 4.953 2.438 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.344 5.694 2.183 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.405 5.824 1.318 1.00 0.00 C ATOM 0 H ILE A 117 116.558 5.803 4.930 1.00 0.00 H new ATOM 0 HA ILE A 117 118.687 3.936 4.279 1.00 0.00 H new ATOM 0 HB ILE A 117 117.845 6.725 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.340 4.007 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.206 4.714 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 117 119.084 6.196 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.173 6.218 2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.638 4.666 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.587 5.294 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 117 116.033 6.758 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 117 117.184 6.040 0.587 1.00 0.00 H new ATOM 1859 N GLU A 118 119.593 6.796 5.632 1.00 0.00 N ATOM 1860 CA GLU A 118 120.772 7.442 6.278 1.00 0.00 C ATOM 1861 C GLU A 118 121.301 6.572 7.419 1.00 0.00 C ATOM 1862 O GLU A 118 122.478 6.277 7.489 1.00 0.00 O ATOM 1863 CB GLU A 118 120.256 8.770 6.824 1.00 0.00 C ATOM 1864 CG GLU A 118 121.418 9.533 7.462 1.00 0.00 C ATOM 1865 CD GLU A 118 120.930 10.890 7.976 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.728 11.072 8.074 1.00 0.00 O ATOM 1867 OE2 GLU A 118 121.771 11.728 8.259 1.00 0.00 O1- ATOM 0 H GLU A 118 118.733 7.344 5.647 1.00 0.00 H new ATOM 0 HA GLU A 118 121.593 7.580 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.814 9.360 6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.472 8.595 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.838 8.953 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.215 9.676 6.732 1.00 0.00 H new ATOM 1874 N LYS A 119 120.445 6.155 8.311 1.00 0.00 N ATOM 1875 CA LYS A 119 120.917 5.302 9.439 1.00 0.00 C ATOM 1876 C LYS A 119 121.485 4.000 8.876 1.00 0.00 C ATOM 1877 O LYS A 119 122.513 3.519 9.312 1.00 0.00 O ATOM 1878 CB LYS A 119 119.680 5.039 10.306 1.00 0.00 C ATOM 1879 CG LYS A 119 119.241 6.337 10.989 1.00 0.00 C ATOM 1880 CD LYS A 119 118.011 6.068 11.861 1.00 0.00 C ATOM 1881 CE LYS A 119 117.618 7.349 12.601 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.430 6.977 13.418 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.447 6.366 8.309 1.00 0.00 H new ATOM 0 HA LYS A 119 121.705 5.775 10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.869 4.649 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.905 4.280 11.056 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.053 6.731 11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 119 119.010 7.094 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.182 5.724 11.242 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.226 5.274 12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.433 7.706 13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.380 8.151 11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.308 7.666 14.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.582 6.976 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.569 6.029 13.822 1.00 0.00 H new ATOM 1896 N ALA A 120 120.840 3.440 7.893 1.00 0.00 N ATOM 1897 CA ALA A 120 121.356 2.186 7.275 1.00 0.00 C ATOM 1898 C ALA A 120 122.753 2.408 6.687 1.00 0.00 C ATOM 1899 O ALA A 120 123.625 1.576 6.811 1.00 0.00 O ATOM 1900 CB ALA A 120 120.368 1.864 6.153 1.00 0.00 C ATOM 0 H ALA A 120 119.974 3.797 7.489 1.00 0.00 H new ATOM 0 HA ALA A 120 121.439 1.381 8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.678 0.950 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.372 1.725 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.348 2.687 5.438 1.00 0.00 H new ATOM 1906 N GLY A 121 122.964 3.512 6.024 1.00 0.00 N ATOM 1907 CA GLY A 121 124.296 3.769 5.401 1.00 0.00 C ATOM 1908 C GLY A 121 125.385 3.894 6.469 1.00 0.00 C ATOM 1909 O GLY A 121 126.457 3.339 6.334 1.00 0.00 O ATOM 0 H GLY A 121 122.272 4.248 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.544 2.958 4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.255 4.684 4.810 1.00 0.00 H new ATOM 1913 N MET A 122 125.127 4.605 7.533 1.00 0.00 N ATOM 1914 CA MET A 122 126.166 4.735 8.596 1.00 0.00 C ATOM 1915 C MET A 122 126.371 3.380 9.274 1.00 0.00 C ATOM 1916 O MET A 122 127.486 2.953 9.521 1.00 0.00 O ATOM 1917 CB MET A 122 125.606 5.763 9.582 1.00 0.00 C ATOM 1918 CG MET A 122 125.633 7.150 8.934 1.00 0.00 C ATOM 1919 SD MET A 122 124.849 8.353 10.037 1.00 0.00 S ATOM 1920 CE MET A 122 126.145 8.391 11.300 1.00 0.00 C ATOM 0 H MET A 122 124.252 5.097 7.712 1.00 0.00 H new ATOM 0 HA MET A 122 127.134 5.050 8.205 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.586 5.499 9.861 1.00 0.00 H new ATOM 0 HB3 MET A 122 126.197 5.765 10.498 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.662 7.446 8.729 1.00 0.00 H new ATOM 0 HG3 MET A 122 125.112 7.125 7.977 1.00 0.00 H new ATOM 0 HE1 MET A 122 126.098 9.336 11.841 1.00 0.00 H new ATOM 0 HE2 MET A 122 125.998 7.566 11.997 1.00 0.00 H new ATOM 0 HE3 MET A 122 127.120 8.294 10.823 1.00 0.00 H new ATOM 1930 N ALA A 123 125.301 2.686 9.558 1.00 0.00 N ATOM 1931 CA ALA A 123 125.439 1.351 10.198 1.00 0.00 C ATOM 1932 C ALA A 123 126.155 0.411 9.231 1.00 0.00 C ATOM 1933 O ALA A 123 127.091 -0.276 9.588 1.00 0.00 O ATOM 1934 CB ALA A 123 124.009 0.881 10.467 1.00 0.00 C ATOM 0 H ALA A 123 124.343 2.986 9.375 1.00 0.00 H new ATOM 0 HA ALA A 123 126.020 1.377 11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 123 124.032 -0.101 10.940 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.511 1.591 11.128 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.464 0.818 9.525 1.00 0.00 H new ATOM 1940 N LEU A 124 125.734 0.400 7.997 1.00 0.00 N ATOM 1941 CA LEU A 124 126.399 -0.463 6.986 1.00 0.00 C ATOM 1942 C LEU A 124 127.856 -0.025 6.834 1.00 0.00 C ATOM 1943 O LEU A 124 128.746 -0.837 6.700 1.00 0.00 O ATOM 1944 CB LEU A 124 125.630 -0.225 5.684 1.00 0.00 C ATOM 1945 CG LEU A 124 124.244 -0.868 5.767 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.385 -0.371 4.601 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.380 -2.389 5.680 1.00 0.00 C ATOM 0 H LEU A 124 124.954 0.955 7.645 1.00 0.00 H new ATOM 0 HA LEU A 124 126.396 -1.517 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.533 0.845 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.184 -0.643 4.844 1.00 0.00 H new ATOM 0 HG LEU A 124 123.774 -0.598 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.397 -0.827 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.288 0.713 4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.858 -0.645 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.392 -2.847 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.849 -2.659 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.996 -2.747 6.505 1.00 0.00 H new ATOM 1959 N ALA A 125 128.100 1.259 6.831 1.00 0.00 N ATOM 1960 CA ALA A 125 129.496 1.756 6.659 1.00 0.00 C ATOM 1961 C ALA A 125 130.424 1.131 7.702 1.00 0.00 C ATOM 1962 O ALA A 125 131.575 0.855 7.431 1.00 0.00 O ATOM 1963 CB ALA A 125 129.407 3.271 6.849 1.00 0.00 C ATOM 0 H ALA A 125 127.392 1.985 6.940 1.00 0.00 H new ATOM 0 HA ALA A 125 129.906 1.493 5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.398 3.711 6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.736 3.693 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 125 129.023 3.491 7.845 1.00 0.00 H new ATOM 1969 N LYS A 126 129.936 0.891 8.887 1.00 0.00 N ATOM 1970 CA LYS A 126 130.802 0.267 9.927 1.00 0.00 C ATOM 1971 C LYS A 126 131.234 -1.121 9.447 1.00 0.00 C ATOM 1972 O LYS A 126 132.380 -1.510 9.565 1.00 0.00 O ATOM 1973 CB LYS A 126 129.900 0.158 11.155 1.00 0.00 C ATOM 1974 CG LYS A 126 130.699 -0.353 12.353 1.00 0.00 C ATOM 1975 CD LYS A 126 129.773 -0.412 13.571 1.00 0.00 C ATOM 1976 CE LYS A 126 130.550 -0.899 14.798 1.00 0.00 C ATOM 1977 NZ LYS A 126 129.564 -0.880 15.921 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.981 1.098 9.180 1.00 0.00 H new ATOM 0 HA LYS A 126 131.707 0.836 10.138 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.468 1.132 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 126 129.070 -0.518 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 126 131.108 -1.341 12.141 1.00 0.00 H new ATOM 0 HG3 LYS A 126 131.544 0.306 12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 126 129.351 0.574 13.765 1.00 0.00 H new ATOM 0 HD3 LYS A 126 128.937 -1.082 13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 126 130.947 -1.902 14.640 1.00 0.00 H new ATOM 0 HE3 LYS A 126 131.399 -0.249 15.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 130.027 -1.202 16.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 129.208 0.088 16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 128.770 -1.513 15.696 1.00 0.00 H new ATOM 1991 N TYR A 127 130.315 -1.858 8.881 1.00 0.00 N ATOM 1992 CA TYR A 127 130.650 -3.215 8.359 1.00 0.00 C ATOM 1993 C TYR A 127 131.434 -3.088 7.051 1.00 0.00 C ATOM 1994 O TYR A 127 132.382 -3.808 6.807 1.00 0.00 O ATOM 1995 CB TYR A 127 129.307 -3.900 8.120 1.00 0.00 C ATOM 1996 CG TYR A 127 128.700 -4.314 9.443 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.917 -3.410 10.171 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.906 -5.610 9.933 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.345 -3.802 11.388 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.331 -6.002 11.147 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.551 -5.096 11.874 1.00 0.00 C ATOM 2002 OH TYR A 127 126.979 -5.484 13.068 1.00 0.00 O ATOM 0 H TYR A 127 129.342 -1.577 8.757 1.00 0.00 H new ATOM 0 HA TYR A 127 131.270 -3.784 9.052 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.632 -3.224 7.595 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.442 -4.774 7.482 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.754 -2.411 9.794 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.510 -6.308 9.373 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.744 -3.103 11.951 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.489 -7.002 11.522 1.00 0.00 H new ATOM 0 HH TYR A 127 127.221 -6.414 13.260 1.00 0.00 H new ATOM 2012 N PHE A 128 131.050 -2.160 6.213 1.00 0.00 N ATOM 2013 CA PHE A 128 131.772 -1.963 4.926 1.00 0.00 C ATOM 2014 C PHE A 128 132.096 -0.477 4.747 1.00 0.00 C ATOM 2015 O PHE A 128 131.292 0.263 4.213 1.00 0.00 O ATOM 2016 CB PHE A 128 130.808 -2.428 3.833 1.00 0.00 C ATOM 2017 CG PHE A 128 130.385 -3.847 4.109 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.148 -4.913 3.621 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.230 -4.094 4.858 1.00 0.00 C ATOM 2020 CE1 PHE A 128 130.754 -6.230 3.883 1.00 0.00 C ATOM 2021 CE2 PHE A 128 128.836 -5.410 5.120 1.00 0.00 C ATOM 2022 CZ PHE A 128 129.598 -6.479 4.633 1.00 0.00 C ATOM 0 H PHE A 128 130.264 -1.529 6.368 1.00 0.00 H new ATOM 0 HA PHE A 128 132.710 -2.517 4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.935 -1.776 3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.289 -2.364 2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.040 -4.720 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.643 -3.269 5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 128 131.342 -7.054 3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 128 127.944 -5.602 5.698 1.00 0.00 H new ATOM 0 HZ PHE A 128 129.294 -7.495 4.836 1.00 0.00 H new ATOM 2032 N PRO A 129 133.262 -0.077 5.192 1.00 0.00 N ATOM 2033 CA PRO A 129 133.666 1.341 5.062 1.00 0.00 C ATOM 2034 C PRO A 129 133.838 1.702 3.593 1.00 0.00 C ATOM 2035 O PRO A 129 134.141 0.870 2.761 1.00 0.00 O ATOM 2036 CB PRO A 129 134.990 1.417 5.819 1.00 0.00 C ATOM 2037 CG PRO A 129 135.519 0.023 5.795 1.00 0.00 C ATOM 2038 CD PRO A 129 134.316 -0.882 5.836 1.00 0.00 C ATOM 0 HA PRO A 129 132.930 2.040 5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.681 2.111 5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.843 1.767 6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.109 -0.154 4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.173 -0.160 6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.495 -1.813 5.299 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.049 -1.150 6.858 1.00 0.00 H new ATOM 2046 N TRP A 130 133.623 2.942 3.269 1.00 0.00 N ATOM 2047 CA TRP A 130 133.750 3.374 1.857 1.00 0.00 C ATOM 2048 C TRP A 130 135.210 3.417 1.434 1.00 0.00 C ATOM 2049 O TRP A 130 136.047 3.991 2.101 1.00 0.00 O ATOM 2050 CB TRP A 130 133.173 4.781 1.816 1.00 0.00 C ATOM 2051 CG TRP A 130 133.116 5.227 0.391 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.152 4.878 -0.491 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.046 6.082 -0.334 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.421 5.478 -1.707 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.580 6.229 -1.662 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.233 6.742 0.031 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.270 7.004 -2.596 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.930 7.521 -0.907 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.448 7.654 -2.217 1.00 0.00 C ATOM 0 H TRP A 130 133.363 3.678 3.926 1.00 0.00 H new ATOM 0 HA TRP A 130 133.236 2.687 1.185 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.177 4.795 2.258 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.791 5.461 2.402 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.310 4.236 -0.280 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.835 5.378 -2.536 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.611 6.649 1.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.896 7.101 -3.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.843 8.021 -0.618 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.986 8.258 -2.932 1.00 0.00 H new ATOM 2070 N LYS A 131 135.514 2.846 0.312 1.00 0.00 N ATOM 2071 CA LYS A 131 136.909 2.887 -0.182 1.00 0.00 C ATOM 2072 C LYS A 131 136.961 3.832 -1.381 1.00 0.00 C ATOM 2073 O LYS A 131 135.980 4.004 -2.078 1.00 0.00 O ATOM 2074 CB LYS A 131 137.241 1.451 -0.588 1.00 0.00 C ATOM 2075 CG LYS A 131 137.238 0.553 0.650 1.00 0.00 C ATOM 2076 CD LYS A 131 137.512 -0.890 0.224 1.00 0.00 C ATOM 2077 CE LYS A 131 137.501 -1.800 1.450 1.00 0.00 C ATOM 2078 NZ LYS A 131 137.676 -3.174 0.902 1.00 0.00 N1+ ATOM 0 H LYS A 131 134.854 2.350 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 131 137.623 3.247 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.512 1.090 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.217 1.416 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 131 137.997 0.886 1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.277 0.618 1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 131 136.757 -1.218 -0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.477 -0.954 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.304 -1.544 2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.565 -1.710 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 137.679 -3.861 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 136.893 -3.391 0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 138.578 -3.230 0.387 1.00 0.00 H new ATOM 2092 N LYS A 132 138.066 4.483 -1.603 1.00 0.00 N ATOM 2093 CA LYS A 132 138.124 5.456 -2.729 1.00 0.00 C ATOM 2094 C LYS A 132 137.793 4.773 -4.053 1.00 0.00 C ATOM 2095 O LYS A 132 137.268 5.394 -4.958 1.00 0.00 O ATOM 2096 CB LYS A 132 139.547 6.008 -2.738 1.00 0.00 C ATOM 2097 CG LYS A 132 139.628 7.138 -3.764 1.00 0.00 C ATOM 2098 CD LYS A 132 141.024 7.758 -3.741 1.00 0.00 C ATOM 2099 CE LYS A 132 141.087 8.896 -4.761 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.454 9.467 -4.618 1.00 0.00 N1+ ATOM 0 H LYS A 132 138.924 4.386 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 132 137.393 6.255 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 132 139.816 6.377 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 132 140.257 5.219 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.407 6.754 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 132 138.879 7.898 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 132 141.251 8.135 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.774 7.003 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.917 8.529 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 132 140.323 9.647 -4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 142.573 10.254 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 142.585 9.815 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.161 8.731 -4.820 1.00 0.00 H new ATOM 2114 N ASP A 133 138.073 3.504 -4.179 1.00 0.00 N ATOM 2115 CA ASP A 133 137.736 2.816 -5.458 1.00 0.00 C ATOM 2116 C ASP A 133 136.308 2.236 -5.408 1.00 0.00 C ATOM 2117 O ASP A 133 135.899 1.508 -6.291 1.00 0.00 O ATOM 2118 CB ASP A 133 138.783 1.717 -5.644 1.00 0.00 C ATOM 2119 CG ASP A 133 140.169 2.345 -5.792 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.237 3.477 -6.241 1.00 0.00 O1- ATOM 2121 OD2 ASP A 133 141.137 1.683 -5.457 1.00 0.00 O ATOM 0 H ASP A 133 138.513 2.922 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 133 137.753 3.509 -6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.769 1.040 -4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.547 1.122 -6.526 1.00 0.00 H new ATOM 2126 N ASP A 134 135.550 2.555 -4.377 1.00 0.00 N ATOM 2127 CA ASP A 134 134.150 2.036 -4.254 1.00 0.00 C ATOM 2128 C ASP A 134 133.398 2.123 -5.581 1.00 0.00 C ATOM 2129 O ASP A 134 133.474 3.103 -6.297 1.00 0.00 O ATOM 2130 CB ASP A 134 133.494 2.960 -3.229 1.00 0.00 C ATOM 2131 CG ASP A 134 132.079 2.470 -2.927 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.952 1.395 -2.364 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.144 3.177 -3.265 1.00 0.00 O ATOM 0 H ASP A 134 135.849 3.159 -3.611 1.00 0.00 H new ATOM 0 HA ASP A 134 134.137 0.986 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.085 2.982 -2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.462 3.980 -3.612 1.00 0.00 H new ATOM 2138 N ILE A 135 132.679 1.087 -5.901 1.00 0.00 N ATOM 2139 CA ILE A 135 131.907 1.057 -7.180 1.00 0.00 C ATOM 2140 C ILE A 135 130.397 1.084 -6.905 1.00 0.00 C ATOM 2141 O ILE A 135 129.919 0.515 -5.943 1.00 0.00 O ATOM 2142 CB ILE A 135 132.307 -0.249 -7.924 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.573 -1.442 -6.967 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.574 0.012 -8.740 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.337 -1.739 -6.112 1.00 0.00 C ATOM 0 H ILE A 135 132.590 0.248 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 135 132.136 1.932 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 135 131.465 -0.523 -8.560 1.00 0.00 H new ATOM 0 HG12 ILE A 135 132.841 -2.326 -7.546 1.00 0.00 H new ATOM 0 HG13 ILE A 135 133.421 -1.214 -6.321 1.00 0.00 H new ATOM 0 HG21 ILE A 135 133.862 -0.898 -9.265 1.00 0.00 H new ATOM 0 HG22 ILE A 135 133.384 0.804 -9.464 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.380 0.317 -8.073 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.546 -2.579 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.086 -0.861 -5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 135 130.498 -1.989 -6.761 1.00 0.00 H new ATOM 2157 N ASP A 136 129.639 1.758 -7.737 1.00 0.00 N ATOM 2158 CA ASP A 136 128.167 1.819 -7.514 1.00 0.00 C ATOM 2159 C ASP A 136 127.469 0.755 -8.366 1.00 0.00 C ATOM 2160 O ASP A 136 127.167 0.962 -9.524 1.00 0.00 O ATOM 2161 CB ASP A 136 127.749 3.223 -7.956 1.00 0.00 C ATOM 2162 CG ASP A 136 126.313 3.489 -7.502 1.00 0.00 C ATOM 2163 OD1 ASP A 136 125.868 2.821 -6.584 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 125.679 4.356 -8.083 1.00 0.00 O ATOM 0 H ASP A 136 129.977 2.265 -8.555 1.00 0.00 H new ATOM 0 HA ASP A 136 127.897 1.629 -6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.421 3.967 -7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 136 127.822 3.313 -9.040 1.00 0.00 H new ATOM 2169 N GLU A 137 127.241 -0.395 -7.794 1.00 0.00 N ATOM 2170 CA GLU A 137 126.597 -1.508 -8.548 1.00 0.00 C ATOM 2171 C GLU A 137 125.135 -1.212 -8.860 1.00 0.00 C ATOM 2172 O GLU A 137 124.624 -1.606 -9.891 1.00 0.00 O ATOM 2173 CB GLU A 137 126.675 -2.712 -7.612 1.00 0.00 C ATOM 2174 CG GLU A 137 128.138 -3.104 -7.405 1.00 0.00 C ATOM 2175 CD GLU A 137 128.239 -4.298 -6.450 1.00 0.00 C ATOM 2176 OE1 GLU A 137 127.208 -4.759 -5.987 1.00 0.00 O1- ATOM 2177 OE2 GLU A 137 129.352 -4.733 -6.195 1.00 0.00 O ATOM 0 H GLU A 137 127.476 -0.613 -6.826 1.00 0.00 H new ATOM 0 HA GLU A 137 127.095 -1.667 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.213 -2.472 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.119 -3.550 -8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.593 -3.356 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 137 128.694 -2.258 -7.001 1.00 0.00 H new ATOM 2184 N LEU A 138 124.441 -0.557 -7.972 1.00 0.00 N ATOM 2185 CA LEU A 138 122.999 -0.287 -8.230 1.00 0.00 C ATOM 2186 C LEU A 138 122.726 1.207 -8.449 1.00 0.00 C ATOM 2187 O LEU A 138 123.427 2.046 -7.911 1.00 0.00 O ATOM 2188 CB LEU A 138 122.278 -0.778 -6.970 1.00 0.00 C ATOM 2189 CG LEU A 138 121.353 -1.943 -7.335 1.00 0.00 C ATOM 2190 CD1 LEU A 138 122.192 -3.137 -7.791 1.00 0.00 C ATOM 2191 CD2 LEU A 138 120.518 -2.338 -6.115 1.00 0.00 C ATOM 0 H LEU A 138 124.804 -0.200 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 138 122.659 -0.789 -9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.005 -1.096 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.701 0.034 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 138 120.688 -1.638 -8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 138 121.534 -3.966 -8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 138 122.782 -2.855 -8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 138 122.859 -3.442 -6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 138 119.861 -3.167 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 138 121.180 -2.642 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 138 119.918 -1.487 -5.794 1.00 0.00 H new ATOM 2203 N PRO A 139 121.691 1.500 -9.211 1.00 0.00 N ATOM 2204 CA PRO A 139 121.320 2.911 -9.460 1.00 0.00 C ATOM 2205 C PRO A 139 120.626 3.462 -8.215 1.00 0.00 C ATOM 2206 O PRO A 139 120.585 2.808 -7.191 1.00 0.00 O ATOM 2207 CB PRO A 139 120.361 2.831 -10.648 1.00 0.00 C ATOM 2208 CG PRO A 139 119.783 1.453 -10.601 1.00 0.00 C ATOM 2209 CD PRO A 139 120.781 0.567 -9.900 1.00 0.00 C ATOM 0 HA PRO A 139 122.165 3.567 -9.669 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.580 3.587 -10.573 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.885 3.005 -11.588 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.831 1.454 -10.069 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.585 1.086 -11.608 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.289 -0.101 -9.193 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.320 -0.061 -10.609 1.00 0.00 H new ATOM 2217 N ASN A 140 120.055 4.630 -8.280 1.00 0.00 N ATOM 2218 CA ASN A 140 119.339 5.175 -7.091 1.00 0.00 C ATOM 2219 C ASN A 140 117.873 5.495 -7.456 1.00 0.00 C ATOM 2220 O ASN A 140 117.124 6.006 -6.647 1.00 0.00 O ATOM 2221 CB ASN A 140 120.094 6.454 -6.736 1.00 0.00 C ATOM 2222 CG ASN A 140 121.516 6.091 -6.305 1.00 0.00 C ATOM 2223 OD1 ASN A 140 121.734 5.651 -5.194 1.00 0.00 O ATOM 2224 ND2 ASN A 140 122.498 6.245 -7.150 1.00 0.00 N ATOM 0 H ASN A 140 120.052 5.232 -9.103 1.00 0.00 H new ATOM 0 HA ASN A 140 119.313 4.470 -6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.121 7.126 -7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 140 119.581 6.983 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 140 123.449 5.996 -6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.315 6.614 -8.083 1.00 0.00 H new ATOM 2231 N THR A 141 117.458 5.205 -8.671 1.00 0.00 N ATOM 2232 CA THR A 141 116.052 5.498 -9.088 1.00 0.00 C ATOM 2233 C THR A 141 115.058 4.671 -8.268 1.00 0.00 C ATOM 2234 O THR A 141 115.288 3.514 -7.977 1.00 0.00 O ATOM 2235 CB THR A 141 116.005 5.100 -10.566 1.00 0.00 C ATOM 2236 OG1 THR A 141 117.106 5.687 -11.250 1.00 0.00 O ATOM 2237 CG2 THR A 141 114.699 5.581 -11.196 1.00 0.00 C ATOM 0 H THR A 141 118.039 4.776 -9.392 1.00 0.00 H new ATOM 0 HA THR A 141 115.779 6.541 -8.930 1.00 0.00 H new ATOM 0 HB THR A 141 116.060 4.014 -10.645 1.00 0.00 H new ATOM 0 HG1 THR A 141 117.078 5.431 -12.196 1.00 0.00 H new ATOM 0 HG21 THR A 141 114.675 5.293 -12.247 1.00 0.00 H new ATOM 0 HG22 THR A 141 113.855 5.127 -10.676 1.00 0.00 H new ATOM 0 HG23 THR A 141 114.634 6.666 -11.115 1.00 0.00 H new ATOM 2245 N ILE A 142 113.960 5.264 -7.885 1.00 0.00 N ATOM 2246 CA ILE A 142 112.948 4.529 -7.072 1.00 0.00 C ATOM 2247 C ILE A 142 112.189 3.516 -7.932 1.00 0.00 C ATOM 2248 O ILE A 142 111.829 3.791 -9.059 1.00 0.00 O ATOM 2249 CB ILE A 142 111.994 5.602 -6.553 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.764 6.571 -5.655 1.00 0.00 C ATOM 2251 CG2 ILE A 142 110.875 4.940 -5.746 1.00 0.00 C ATOM 2252 CD1 ILE A 142 111.895 7.797 -5.370 1.00 0.00 C ATOM 0 H ILE A 142 113.719 6.231 -8.101 1.00 0.00 H new ATOM 0 HA ILE A 142 113.415 3.966 -6.263 1.00 0.00 H new ATOM 0 HB ILE A 142 111.563 6.146 -7.393 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.037 6.080 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.692 6.874 -6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.193 5.705 -5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.329 4.245 -6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.305 4.398 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.442 8.490 -4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.644 8.291 -6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 142 110.979 7.485 -4.868 1.00 0.00 H new ATOM 2264 N SER A 143 111.919 2.361 -7.395 1.00 0.00 N ATOM 2265 CA SER A 143 111.153 1.342 -8.164 1.00 0.00 C ATOM 2266 C SER A 143 109.676 1.411 -7.766 1.00 0.00 C ATOM 2267 O SER A 143 109.347 1.587 -6.610 1.00 0.00 O ATOM 2268 CB SER A 143 111.761 -0.001 -7.767 1.00 0.00 C ATOM 2269 OG SER A 143 113.025 -0.149 -8.400 1.00 0.00 O ATOM 0 H SER A 143 112.196 2.077 -6.455 1.00 0.00 H new ATOM 0 HA SER A 143 111.207 1.498 -9.241 1.00 0.00 H new ATOM 0 HB2 SER A 143 111.875 -0.056 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.097 -0.815 -8.060 1.00 0.00 H new ATOM 0 HG SER A 143 112.906 -0.584 -9.270 1.00 0.00 H new ATOM 2275 N LYS A 144 108.784 1.285 -8.708 1.00 0.00 N ATOM 2276 CA LYS A 144 107.335 1.355 -8.363 1.00 0.00 C ATOM 2277 C LYS A 144 106.566 0.190 -8.989 1.00 0.00 C ATOM 2278 O LYS A 144 106.898 -0.288 -10.055 1.00 0.00 O ATOM 2279 CB LYS A 144 106.860 2.687 -8.941 1.00 0.00 C ATOM 2280 CG LYS A 144 107.492 3.834 -8.154 1.00 0.00 C ATOM 2281 CD LYS A 144 107.011 5.165 -8.733 1.00 0.00 C ATOM 2282 CE LYS A 144 107.578 6.324 -7.901 1.00 0.00 C ATOM 2283 NZ LYS A 144 107.081 7.574 -8.553 1.00 0.00 N1+ ATOM 0 H LYS A 144 108.992 1.138 -9.696 1.00 0.00 H new ATOM 0 HA LYS A 144 107.168 1.288 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.135 2.758 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 144 105.773 2.752 -8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.220 3.762 -7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 144 108.579 3.772 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 144 107.331 5.258 -9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 144 105.922 5.201 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 144 107.243 6.263 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 144 108.668 6.298 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 107.037 8.339 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 107.728 7.846 -9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 106.131 7.408 -8.943 1.00 0.00 H new ATOM 2297 N GLY A 145 105.536 -0.264 -8.330 1.00 0.00 N ATOM 2298 CA GLY A 145 104.735 -1.392 -8.878 1.00 0.00 C ATOM 2299 C GLY A 145 103.870 -0.888 -10.033 1.00 0.00 C ATOM 2300 O GLY A 145 104.372 -0.829 -11.142 1.00 0.00 O ATOM 2301 OXT GLY A 145 102.719 -0.564 -9.788 1.00 0.00 O ATOM 0 H GLY A 145 105.214 0.099 -7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.396 -2.187 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.105 -1.818 -8.097 1.00 0.00 H new