USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=20 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= -2.23! C(o=-4.2!,f=-8.5!) USER MOD Set 1.2: A 111 GLN : amide:sc= -1.94! C(o=-4.2!,f=-5.4!) USER MOD Single : A 9 THR OG1 : rot 24:sc= 0.513 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=-0.00981 K(o=-0.0098,f=-1.9!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.24) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 48 MET CE :methyl -117:sc= -0.0168 (180deg=-0.418) USER MOD Single : A 52 HIS :FLIP no HE2:sc= -0.094 F(o=-1.8,f=-0.094) USER MOD Single : A 53 ASN : amide:sc= -3.36! C(o=-3.4!,f=-4.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -178:sc= -3.43 (180deg=-3.56) USER MOD Single : A 58 ASN : amide:sc= -1.64! C(o=-1.6!,f=-2.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 63 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.9!) USER MOD Single : A 68 TYR OH : rot 164:sc= 1.38 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -2.87! 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= -0.0327 K(o=-0.033,f=-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 -170:sc= 0.058 USER MOD Single : A 98 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.017) USER MOD Single : A 101 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.8!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 108 ASN : amide:sc= -0.0211 K(o=-0.021,f=-2.1!) USER MOD Single : A 110 LYS NZ :NH3+ -146:sc= -0.244 (180deg=-1.59!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 150:sc= -0.132 (180deg=-1.22) 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= -6.38! C(o=-6.4!,f=-17!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 24:sc= -2.47! USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.336 14.317 -4.364 1.00 0.00 N ATOM 142 CA THR A 9 105.521 15.232 -5.528 1.00 0.00 C ATOM 143 C THR A 9 106.799 14.851 -6.266 1.00 0.00 C ATOM 144 O THR A 9 107.739 14.356 -5.675 1.00 0.00 O ATOM 145 CB THR A 9 105.652 16.635 -4.928 1.00 0.00 C ATOM 146 OG1 THR A 9 104.642 16.826 -3.950 1.00 0.00 O ATOM 147 CG2 THR A 9 105.502 17.686 -6.033 1.00 0.00 C ATOM 0 HA THR A 9 104.695 15.177 -6.238 1.00 0.00 H new ATOM 0 HB THR A 9 106.633 16.740 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 9 104.346 15.955 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 9 105.596 18.683 -5.602 1.00 0.00 H new ATOM 0 HG22 THR A 9 106.280 17.540 -6.782 1.00 0.00 H new ATOM 0 HG23 THR A 9 104.523 17.584 -6.502 1.00 0.00 H new ATOM 155 N ALA A 10 106.855 15.068 -7.553 1.00 0.00 N ATOM 156 CA ALA A 10 108.090 14.703 -8.317 1.00 0.00 C ATOM 157 C ALA A 10 109.328 15.307 -7.637 1.00 0.00 C ATOM 158 O ALA A 10 110.399 14.742 -7.672 1.00 0.00 O ATOM 159 CB ALA A 10 107.881 15.298 -9.709 1.00 0.00 C ATOM 0 H ALA A 10 106.105 15.480 -8.108 1.00 0.00 H new ATOM 0 HA ALA A 10 108.253 13.626 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 10 108.746 15.074 -10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 10 106.987 14.866 -10.159 1.00 0.00 H new ATOM 0 HB3 ALA A 10 107.761 16.378 -9.629 1.00 0.00 H new ATOM 165 N GLU A 11 109.180 16.433 -6.997 1.00 0.00 N ATOM 166 CA GLU A 11 110.347 17.039 -6.295 1.00 0.00 C ATOM 167 C GLU A 11 110.683 16.230 -5.042 1.00 0.00 C ATOM 168 O GLU A 11 111.841 16.058 -4.713 1.00 0.00 O ATOM 169 CB GLU A 11 109.943 18.469 -5.946 1.00 0.00 C ATOM 170 CG GLU A 11 111.105 19.168 -5.238 1.00 0.00 C ATOM 171 CD GLU A 11 110.727 20.620 -4.921 1.00 0.00 C ATOM 172 OE1 GLU A 11 109.557 20.952 -5.036 1.00 0.00 O1- ATOM 173 OE2 GLU A 11 111.616 21.378 -4.568 1.00 0.00 O ATOM 0 H GLU A 11 108.308 16.958 -6.929 1.00 0.00 H new ATOM 0 HA GLU A 11 111.241 17.038 -6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 11 109.674 19.014 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 11 109.062 18.463 -5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 11 111.353 18.639 -4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 11 111.994 19.144 -5.869 1.00 0.00 H new ATOM 180 N GLU A 12 109.703 15.705 -4.355 1.00 0.00 N ATOM 181 CA GLU A 12 110.023 14.891 -3.147 1.00 0.00 C ATOM 182 C GLU A 12 110.850 13.678 -3.577 1.00 0.00 C ATOM 183 O GLU A 12 111.819 13.303 -2.943 1.00 0.00 O ATOM 184 CB GLU A 12 108.672 14.467 -2.576 1.00 0.00 C ATOM 185 CG GLU A 12 107.971 15.691 -1.973 1.00 0.00 C ATOM 186 CD GLU A 12 106.610 15.289 -1.389 1.00 0.00 C ATOM 187 OE1 GLU A 12 106.324 14.102 -1.353 1.00 0.00 O ATOM 188 OE2 GLU A 12 105.876 16.177 -0.984 1.00 0.00 O1- ATOM 0 H GLU A 12 108.711 15.802 -4.573 1.00 0.00 H new ATOM 0 HA GLU A 12 110.603 15.436 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 12 108.054 14.029 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.811 13.700 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.594 16.129 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.835 16.455 -2.739 1.00 0.00 H new ATOM 195 N GLU A 13 110.485 13.092 -4.677 1.00 0.00 N ATOM 196 CA GLU A 13 111.245 11.925 -5.209 1.00 0.00 C ATOM 197 C GLU A 13 112.681 12.330 -5.519 1.00 0.00 C ATOM 198 O GLU A 13 113.609 11.580 -5.294 1.00 0.00 O ATOM 199 CB GLU A 13 110.518 11.556 -6.498 1.00 0.00 C ATOM 200 CG GLU A 13 109.146 10.991 -6.142 1.00 0.00 C ATOM 201 CD GLU A 13 108.353 10.684 -7.416 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.931 10.756 -8.490 1.00 0.00 O1- ATOM 203 OE2 GLU A 13 107.180 10.373 -7.294 1.00 0.00 O ATOM 0 H GLU A 13 109.682 13.373 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 13 111.290 11.098 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.411 12.433 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 13 111.095 10.821 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.261 10.084 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.599 11.706 -5.528 1.00 0.00 H new ATOM 210 N LYS A 14 112.871 13.509 -6.032 1.00 0.00 N ATOM 211 CA LYS A 14 114.252 13.953 -6.355 1.00 0.00 C ATOM 212 C LYS A 14 115.117 13.977 -5.088 1.00 0.00 C ATOM 213 O LYS A 14 116.269 13.593 -5.106 1.00 0.00 O ATOM 214 CB LYS A 14 114.093 15.363 -6.931 1.00 0.00 C ATOM 215 CG LYS A 14 113.456 15.278 -8.320 1.00 0.00 C ATOM 216 CD LYS A 14 113.261 16.688 -8.889 1.00 0.00 C ATOM 217 CE LYS A 14 112.600 16.597 -10.267 1.00 0.00 C ATOM 218 NZ LYS A 14 112.480 18.007 -10.730 1.00 0.00 N1+ ATOM 0 H LYS A 14 112.134 14.183 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 14 114.746 13.282 -7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.472 15.969 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 14 115.064 15.853 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 14 114.090 14.692 -8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 14 112.496 14.764 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 14 112.642 17.281 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.222 17.196 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 14 113.203 16.005 -10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 14 111.623 16.117 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 112.035 18.027 -11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 111.895 18.544 -10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 113.426 18.436 -10.786 1.00 0.00 H new ATOM 232 N ALA A 15 114.582 14.451 -3.993 1.00 0.00 N ATOM 233 CA ALA A 15 115.396 14.526 -2.741 1.00 0.00 C ATOM 234 C ALA A 15 115.773 13.133 -2.204 1.00 0.00 C ATOM 235 O ALA A 15 116.910 12.902 -1.840 1.00 0.00 O ATOM 236 CB ALA A 15 114.522 15.276 -1.738 1.00 0.00 C ATOM 0 H ALA A 15 113.623 14.788 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 15 116.345 15.031 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.054 15.371 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.293 16.268 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.595 14.725 -1.580 1.00 0.00 H new ATOM 242 N ILE A 16 114.849 12.205 -2.136 1.00 0.00 N ATOM 243 CA ILE A 16 115.206 10.853 -1.603 1.00 0.00 C ATOM 244 C ILE A 16 116.183 10.150 -2.553 1.00 0.00 C ATOM 245 O ILE A 16 117.049 9.401 -2.145 1.00 0.00 O ATOM 246 CB ILE A 16 113.882 10.083 -1.485 1.00 0.00 C ATOM 247 CG1 ILE A 16 114.142 8.755 -0.769 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.304 9.819 -2.881 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.833 8.202 -0.201 1.00 0.00 C ATOM 0 H ILE A 16 113.877 12.322 -2.422 1.00 0.00 H new ATOM 0 HA ILE A 16 115.705 10.914 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 16 113.164 10.673 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.579 8.037 -1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.864 8.901 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.365 9.273 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 16 113.123 10.768 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 16 114.012 9.228 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 16 113.027 7.257 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.414 8.916 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 16 112.124 8.039 -1.013 1.00 0.00 H new ATOM 261 N VAL A 17 116.061 10.426 -3.820 1.00 0.00 N ATOM 262 CA VAL A 17 116.987 9.821 -4.812 1.00 0.00 C ATOM 263 C VAL A 17 118.396 10.342 -4.530 1.00 0.00 C ATOM 264 O VAL A 17 119.368 9.615 -4.595 1.00 0.00 O ATOM 265 CB VAL A 17 116.475 10.300 -6.177 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.482 9.932 -7.272 1.00 0.00 C ATOM 267 CG2 VAL A 17 115.132 9.632 -6.481 1.00 0.00 C ATOM 0 H VAL A 17 115.355 11.049 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 17 117.023 8.732 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 17 116.351 11.383 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 17 117.111 10.275 -8.238 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.439 10.408 -7.061 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.613 8.850 -7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.768 9.972 -7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.260 8.550 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.410 9.898 -5.709 1.00 0.00 H new ATOM 277 N ASP A 18 118.504 11.603 -4.215 1.00 0.00 N ATOM 278 CA ASP A 18 119.847 12.177 -3.929 1.00 0.00 C ATOM 279 C ASP A 18 120.425 11.505 -2.688 1.00 0.00 C ATOM 280 O ASP A 18 121.611 11.256 -2.604 1.00 0.00 O ATOM 281 CB ASP A 18 119.635 13.675 -3.704 1.00 0.00 C ATOM 282 CG ASP A 18 120.988 14.366 -3.500 1.00 0.00 C ATOM 283 OD1 ASP A 18 121.963 13.671 -3.263 1.00 0.00 O ATOM 284 OD2 ASP A 18 121.027 15.583 -3.594 1.00 0.00 O1- ATOM 0 H ASP A 18 117.725 12.257 -4.144 1.00 0.00 H new ATOM 0 HA ASP A 18 120.550 12.014 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 18 119.119 14.111 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 18 119.000 13.835 -2.833 1.00 0.00 H new ATOM 289 N ALA A 19 119.595 11.189 -1.732 1.00 0.00 N ATOM 290 CA ALA A 19 120.102 10.511 -0.509 1.00 0.00 C ATOM 291 C ALA A 19 120.694 9.154 -0.897 1.00 0.00 C ATOM 292 O ALA A 19 121.712 8.737 -0.382 1.00 0.00 O ATOM 293 CB ALA A 19 118.870 10.331 0.378 1.00 0.00 C ATOM 0 H ALA A 19 118.591 11.371 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 19 120.883 11.075 0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.158 9.836 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.440 11.306 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 19 118.132 9.722 -0.144 1.00 0.00 H new ATOM 299 N ILE A 20 120.063 8.466 -1.808 1.00 0.00 N ATOM 300 CA ILE A 20 120.588 7.139 -2.240 1.00 0.00 C ATOM 301 C ILE A 20 121.953 7.315 -2.924 1.00 0.00 C ATOM 302 O ILE A 20 122.882 6.570 -2.677 1.00 0.00 O ATOM 303 CB ILE A 20 119.541 6.606 -3.220 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.238 6.322 -2.465 1.00 0.00 C ATOM 305 CG2 ILE A 20 120.046 5.306 -3.853 1.00 0.00 C ATOM 306 CD1 ILE A 20 117.115 6.064 -3.472 1.00 0.00 C ATOM 0 H ILE A 20 119.206 8.765 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 20 120.743 6.453 -1.408 1.00 0.00 H new ATOM 0 HB ILE A 20 119.364 7.348 -3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.363 5.457 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.982 7.168 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.299 4.927 -4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.977 5.499 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.222 4.566 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 20 116.187 5.862 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.985 6.942 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.372 5.205 -4.091 1.00 0.00 H new ATOM 318 N ARG A 21 122.085 8.304 -3.774 1.00 0.00 N ATOM 319 CA ARG A 21 123.395 8.530 -4.460 1.00 0.00 C ATOM 320 C ARG A 21 124.489 8.815 -3.429 1.00 0.00 C ATOM 321 O ARG A 21 125.601 8.338 -3.535 1.00 0.00 O ATOM 322 CB ARG A 21 123.198 9.774 -5.336 1.00 0.00 C ATOM 323 CG ARG A 21 122.304 9.451 -6.538 1.00 0.00 C ATOM 324 CD ARG A 21 122.113 10.718 -7.383 1.00 0.00 C ATOM 325 NE ARG A 21 121.302 10.285 -8.558 1.00 0.00 N ATOM 326 CZ ARG A 21 121.211 11.048 -9.615 1.00 0.00 C ATOM 327 NH1 ARG A 21 122.281 11.602 -10.120 1.00 0.00 N1+ ATOM 328 NH2 ARG A 21 120.049 11.256 -10.168 1.00 0.00 N ATOM 0 H ARG A 21 121.346 8.962 -4.022 1.00 0.00 H new ATOM 0 HA ARG A 21 123.693 7.656 -5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.749 10.573 -4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 21 124.165 10.138 -5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.756 8.663 -7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.338 9.078 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.601 11.496 -6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 21 123.072 11.131 -7.697 1.00 0.00 H new ATOM 0 HE ARG A 21 120.816 9.389 -8.536 1.00 0.00 H new ATOM 0 HH11 ARG A 21 123.191 11.440 -9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 21 122.206 12.197 -10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 21 119.213 10.824 -9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 21 119.976 11.851 -10.993 1.00 0.00 H new ATOM 342 N ASP A 22 124.178 9.605 -2.440 1.00 0.00 N ATOM 343 CA ASP A 22 125.195 9.952 -1.407 1.00 0.00 C ATOM 344 C ASP A 22 125.598 8.716 -0.589 1.00 0.00 C ATOM 345 O ASP A 22 126.750 8.553 -0.230 1.00 0.00 O ATOM 346 CB ASP A 22 124.503 10.982 -0.509 1.00 0.00 C ATOM 347 CG ASP A 22 124.653 12.387 -1.112 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.347 12.522 -2.109 1.00 0.00 O ATOM 349 OD2 ASP A 22 124.067 13.306 -0.564 1.00 0.00 O1- ATOM 0 H ASP A 22 123.260 10.027 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 22 126.112 10.336 -1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.447 10.733 -0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.938 10.957 0.490 1.00 0.00 H new ATOM 354 N ALA A 23 124.670 7.849 -0.279 1.00 0.00 N ATOM 355 CA ALA A 23 125.032 6.647 0.529 1.00 0.00 C ATOM 356 C ALA A 23 126.007 5.767 -0.253 1.00 0.00 C ATOM 357 O ALA A 23 126.949 5.227 0.300 1.00 0.00 O ATOM 358 CB ALA A 23 123.716 5.920 0.797 1.00 0.00 C ATOM 0 H ALA A 23 123.688 7.919 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 23 125.529 6.910 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.909 5.025 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 23 123.042 6.578 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.257 5.638 -0.150 1.00 0.00 H new ATOM 364 N GLU A 24 125.797 5.611 -1.534 1.00 0.00 N ATOM 365 CA GLU A 24 126.728 4.764 -2.345 1.00 0.00 C ATOM 366 C GLU A 24 128.155 5.327 -2.304 1.00 0.00 C ATOM 367 O GLU A 24 129.108 4.638 -2.606 1.00 0.00 O ATOM 368 CB GLU A 24 126.180 4.797 -3.765 1.00 0.00 C ATOM 369 CG GLU A 24 124.823 4.091 -3.811 1.00 0.00 C ATOM 370 CD GLU A 24 124.284 4.086 -5.248 1.00 0.00 C ATOM 371 OE1 GLU A 24 124.933 4.654 -6.117 1.00 0.00 O ATOM 372 OE2 GLU A 24 123.234 3.507 -5.455 1.00 0.00 O1- ATOM 0 H GLU A 24 125.026 6.030 -2.054 1.00 0.00 H new ATOM 0 HA GLU A 24 126.783 3.747 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 24 126.076 5.829 -4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.878 4.309 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.923 3.068 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.118 4.596 -3.151 1.00 0.00 H new ATOM 379 N LYS A 25 128.316 6.556 -1.881 1.00 0.00 N ATOM 380 CA LYS A 25 129.692 7.116 -1.764 1.00 0.00 C ATOM 381 C LYS A 25 130.206 6.909 -0.321 1.00 0.00 C ATOM 382 O LYS A 25 131.306 7.299 0.009 1.00 0.00 O ATOM 383 CB LYS A 25 129.571 8.599 -2.090 1.00 0.00 C ATOM 384 CG LYS A 25 128.984 8.768 -3.491 1.00 0.00 C ATOM 385 CD LYS A 25 129.916 8.139 -4.529 1.00 0.00 C ATOM 386 CE LYS A 25 129.308 8.327 -5.922 1.00 0.00 C ATOM 387 NZ LYS A 25 130.248 7.660 -6.863 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.561 7.188 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 25 130.397 6.628 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.934 9.093 -1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.550 9.075 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 25 128.001 8.299 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.844 9.827 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 25 130.901 8.604 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 25 130.054 7.079 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 25 128.315 7.882 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 25 129.198 9.385 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 129.890 7.752 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 131.184 8.108 -6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 130.328 6.652 -6.618 1.00 0.00 H new ATOM 401 N ASN A 26 129.420 6.289 0.543 1.00 0.00 N ATOM 402 CA ASN A 26 129.860 6.045 1.942 1.00 0.00 C ATOM 403 C ASN A 26 129.998 4.530 2.193 1.00 0.00 C ATOM 404 O ASN A 26 130.579 4.103 3.170 1.00 0.00 O ATOM 405 CB ASN A 26 128.723 6.603 2.790 1.00 0.00 C ATOM 406 CG ASN A 26 128.670 8.122 2.632 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.588 8.723 2.109 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.628 8.773 3.068 1.00 0.00 N ATOM 0 H ASN A 26 128.486 5.943 0.324 1.00 0.00 H new ATOM 0 HA ASN A 26 130.823 6.503 2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.775 6.161 2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.873 6.340 3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.583 9.787 2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.858 8.268 3.507 1.00 0.00 H new ATOM 415 N THR A 27 129.465 3.712 1.315 1.00 0.00 N ATOM 416 CA THR A 27 129.572 2.235 1.505 1.00 0.00 C ATOM 417 C THR A 27 129.545 1.534 0.142 1.00 0.00 C ATOM 418 O THR A 27 128.988 2.037 -0.814 1.00 0.00 O ATOM 419 CB THR A 27 128.348 1.825 2.344 1.00 0.00 C ATOM 420 OG1 THR A 27 128.260 0.401 2.404 1.00 0.00 O ATOM 421 CG2 THR A 27 127.064 2.386 1.720 1.00 0.00 C ATOM 0 H THR A 27 128.962 4.006 0.478 1.00 0.00 H new ATOM 0 HA THR A 27 130.502 1.956 2.001 1.00 0.00 H new ATOM 0 HB THR A 27 128.463 2.229 3.350 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.481 0.144 2.940 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.206 2.089 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 27 127.122 3.474 1.684 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.950 1.995 0.709 1.00 0.00 H new ATOM 429 N SER A 28 130.117 0.364 0.055 1.00 0.00 N ATOM 430 CA SER A 28 130.086 -0.379 -1.229 1.00 0.00 C ATOM 431 C SER A 28 128.771 -1.170 -1.342 1.00 0.00 C ATOM 432 O SER A 28 128.477 -1.746 -2.369 1.00 0.00 O ATOM 433 CB SER A 28 131.290 -1.314 -1.179 1.00 0.00 C ATOM 434 OG SER A 28 132.423 -0.592 -0.712 1.00 0.00 O ATOM 0 H SER A 28 130.603 -0.106 0.819 1.00 0.00 H new ATOM 0 HA SER A 28 130.133 0.280 -2.096 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.084 -2.157 -0.520 1.00 0.00 H new ATOM 0 HB3 SER A 28 131.488 -1.725 -2.169 1.00 0.00 H new ATOM 0 HG SER A 28 133.199 -1.189 -0.676 1.00 0.00 H new ATOM 440 N GLY A 29 127.967 -1.198 -0.298 1.00 0.00 N ATOM 441 CA GLY A 29 126.685 -1.939 -0.368 1.00 0.00 C ATOM 442 C GLY A 29 125.679 -1.114 -1.165 1.00 0.00 C ATOM 443 O GLY A 29 125.956 0.004 -1.555 1.00 0.00 O ATOM 0 H GLY A 29 128.154 -0.737 0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.836 -2.909 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.305 -2.130 0.636 1.00 0.00 H new ATOM 447 N GLU A 30 124.524 -1.653 -1.425 1.00 0.00 N ATOM 448 CA GLU A 30 123.522 -0.884 -2.219 1.00 0.00 C ATOM 449 C GLU A 30 122.131 -0.937 -1.578 1.00 0.00 C ATOM 450 O GLU A 30 121.682 -1.964 -1.115 1.00 0.00 O ATOM 451 CB GLU A 30 123.520 -1.557 -3.589 1.00 0.00 C ATOM 452 CG GLU A 30 122.528 -0.848 -4.507 1.00 0.00 C ATOM 453 CD GLU A 30 123.010 0.569 -4.818 1.00 0.00 C ATOM 454 OE1 GLU A 30 124.123 0.901 -4.442 1.00 0.00 O1- ATOM 455 OE2 GLU A 30 122.251 1.298 -5.432 1.00 0.00 O ATOM 0 H GLU A 30 124.229 -2.583 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 30 123.776 0.175 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 30 124.519 -1.524 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 30 123.250 -2.608 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 30 122.413 -1.411 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 30 121.547 -0.810 -4.033 1.00 0.00 H new ATOM 462 N ILE A 31 121.447 0.182 -1.565 1.00 0.00 N ATOM 463 CA ILE A 31 120.076 0.235 -0.972 1.00 0.00 C ATOM 464 C ILE A 31 119.060 0.629 -2.047 1.00 0.00 C ATOM 465 O ILE A 31 119.280 1.548 -2.813 1.00 0.00 O ATOM 466 CB ILE A 31 120.137 1.303 0.119 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.158 0.884 1.176 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.758 1.437 0.770 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.376 2.032 2.162 1.00 0.00 C ATOM 0 H ILE A 31 121.784 1.067 -1.943 1.00 0.00 H new ATOM 0 HA ILE A 31 119.769 -0.730 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 31 120.431 2.258 -0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.806 -0.001 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 31 122.101 0.617 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.796 2.198 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.026 1.726 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.469 0.482 1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.104 1.731 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.747 2.906 1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.432 2.278 2.648 1.00 0.00 H new ATOM 481 N ARG A 32 117.952 -0.055 -2.111 1.00 0.00 N ATOM 482 CA ARG A 32 116.927 0.284 -3.139 1.00 0.00 C ATOM 483 C ARG A 32 115.525 0.183 -2.529 1.00 0.00 C ATOM 484 O ARG A 32 115.296 -0.545 -1.584 1.00 0.00 O ATOM 485 CB ARG A 32 117.127 -0.745 -4.249 1.00 0.00 C ATOM 486 CG ARG A 32 116.204 -0.423 -5.421 1.00 0.00 C ATOM 487 CD ARG A 32 116.406 -1.466 -6.523 1.00 0.00 C ATOM 488 NE ARG A 32 115.618 -0.956 -7.674 1.00 0.00 N ATOM 489 CZ ARG A 32 115.518 -1.663 -8.768 1.00 0.00 C ATOM 490 NH1 ARG A 32 115.188 -2.923 -8.703 1.00 0.00 N1+ ATOM 491 NH2 ARG A 32 115.741 -1.106 -9.926 1.00 0.00 N ATOM 0 H ARG A 32 117.711 -0.833 -1.497 1.00 0.00 H new ATOM 0 HA ARG A 32 117.028 1.301 -3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 32 118.166 -0.740 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.917 -1.746 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 32 115.165 -0.422 -5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.418 0.575 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.460 -1.571 -6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 32 116.055 -2.449 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 32 115.153 -0.050 -7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 32 115.008 -3.357 -7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 32 115.110 -3.475 -9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 32 115.993 -0.119 -9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 32 115.663 -1.657 -10.781 1.00 0.00 H new ATOM 505 N VAL A 33 114.593 0.939 -3.047 1.00 0.00 N ATOM 506 CA VAL A 33 113.212 0.927 -2.482 1.00 0.00 C ATOM 507 C VAL A 33 112.165 0.599 -3.561 1.00 0.00 C ATOM 508 O VAL A 33 112.242 1.052 -4.685 1.00 0.00 O ATOM 509 CB VAL A 33 113.019 2.352 -1.937 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.557 2.588 -1.532 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.917 2.540 -0.714 1.00 0.00 C ATOM 0 H VAL A 33 114.730 1.566 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 33 113.085 0.164 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 33 113.282 3.067 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.445 3.602 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.913 2.454 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.274 1.875 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.788 3.548 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.646 1.813 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.958 2.393 -1.001 1.00 0.00 H new ATOM 521 N HIS A 34 111.180 -0.180 -3.201 1.00 0.00 N ATOM 522 CA HIS A 34 110.097 -0.543 -4.162 1.00 0.00 C ATOM 523 C HIS A 34 108.730 -0.195 -3.548 1.00 0.00 C ATOM 524 O HIS A 34 108.431 -0.545 -2.423 1.00 0.00 O ATOM 525 CB HIS A 34 110.242 -2.045 -4.374 1.00 0.00 C ATOM 526 CG HIS A 34 109.256 -2.500 -5.408 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.615 -2.717 -6.728 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.916 -2.780 -5.332 1.00 0.00 C ATOM 529 CE1 HIS A 34 108.509 -3.111 -7.388 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.444 -3.165 -6.582 1.00 0.00 N ATOM 0 H HIS A 34 111.078 -0.585 -2.271 1.00 0.00 H new ATOM 0 HA HIS A 34 110.168 -0.003 -5.106 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.257 -2.282 -4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 34 110.072 -2.574 -3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.317 -2.712 -4.436 1.00 0.00 H new ATOM 0 HE1 HIS A 34 108.485 -3.354 -8.440 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.491 -3.431 -6.830 1.00 0.00 H new ATOM 538 N LEU A 35 107.920 0.530 -4.272 1.00 0.00 N ATOM 539 CA LEU A 35 106.591 0.959 -3.739 1.00 0.00 C ATOM 540 C LEU A 35 105.416 0.415 -4.573 1.00 0.00 C ATOM 541 O LEU A 35 105.357 0.568 -5.777 1.00 0.00 O ATOM 542 CB LEU A 35 106.651 2.485 -3.839 1.00 0.00 C ATOM 543 CG LEU A 35 105.429 3.105 -3.161 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.437 2.748 -1.674 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.479 4.627 -3.323 1.00 0.00 C ATOM 0 H LEU A 35 108.123 0.847 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 35 106.418 0.585 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.563 2.852 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.688 2.787 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 35 104.519 2.719 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.566 3.189 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.406 1.664 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.345 3.135 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.609 5.073 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.388 5.012 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.476 4.880 -4.383 1.00 0.00 H new ATOM 557 N GLU A 36 104.459 -0.182 -3.900 1.00 0.00 N ATOM 558 CA GLU A 36 103.233 -0.711 -4.582 1.00 0.00 C ATOM 559 C GLU A 36 102.036 -0.532 -3.635 1.00 0.00 C ATOM 560 O GLU A 36 102.199 -0.197 -2.476 1.00 0.00 O ATOM 561 CB GLU A 36 103.492 -2.192 -4.880 1.00 0.00 C ATOM 562 CG GLU A 36 102.302 -2.759 -5.668 1.00 0.00 C ATOM 563 CD GLU A 36 102.598 -4.193 -6.121 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.597 -4.743 -5.683 1.00 0.00 O1- ATOM 565 OE2 GLU A 36 101.818 -4.712 -6.909 1.00 0.00 O ATOM 0 H GLU A 36 104.477 -0.327 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 36 103.013 -0.185 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.412 -2.305 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.626 -2.745 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.406 -2.744 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.099 -2.131 -6.536 1.00 0.00 H new ATOM 572 N LYS A 37 100.833 -0.709 -4.123 1.00 0.00 N ATOM 573 CA LYS A 37 99.641 -0.498 -3.244 1.00 0.00 C ATOM 574 C LYS A 37 99.367 -1.683 -2.315 1.00 0.00 C ATOM 575 O LYS A 37 99.607 -1.615 -1.127 1.00 0.00 O ATOM 576 CB LYS A 37 98.451 -0.263 -4.181 1.00 0.00 C ATOM 577 CG LYS A 37 98.613 1.080 -4.903 1.00 0.00 C ATOM 578 CD LYS A 37 97.397 1.325 -5.803 1.00 0.00 C ATOM 579 CE LYS A 37 97.554 2.664 -6.528 1.00 0.00 C ATOM 580 NZ LYS A 37 96.336 2.790 -7.379 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.626 -0.988 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 37 99.818 0.351 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.385 -1.072 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.522 -0.270 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.710 1.887 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.526 1.077 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.300 0.517 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.485 1.328 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.627 3.489 -5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.461 2.681 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.373 3.685 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.296 1.995 -8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.489 2.778 -6.776 1.00 0.00 H new ATOM 594 N THR A 38 98.865 -2.766 -2.844 1.00 0.00 N ATOM 595 CA THR A 38 98.571 -3.953 -1.987 1.00 0.00 C ATOM 596 C THR A 38 98.880 -5.242 -2.749 1.00 0.00 C ATOM 597 O THR A 38 98.947 -5.262 -3.961 1.00 0.00 O ATOM 598 CB THR A 38 97.077 -3.858 -1.661 1.00 0.00 C ATOM 599 OG1 THR A 38 96.667 -5.035 -0.979 1.00 0.00 O ATOM 600 CG2 THR A 38 96.264 -3.706 -2.951 1.00 0.00 C ATOM 0 H THR A 38 98.645 -2.881 -3.833 1.00 0.00 H new ATOM 0 HA THR A 38 99.178 -3.968 -1.082 1.00 0.00 H new ATOM 0 HB THR A 38 96.905 -2.987 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.712 -4.975 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.204 -3.639 -2.707 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.574 -2.800 -3.472 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.435 -4.570 -3.593 1.00 0.00 H new ATOM 608 N SER A 39 99.087 -6.320 -2.041 1.00 0.00 N ATOM 609 CA SER A 39 99.407 -7.604 -2.715 1.00 0.00 C ATOM 610 C SER A 39 98.238 -8.585 -2.617 1.00 0.00 C ATOM 611 O SER A 39 97.272 -8.358 -1.913 1.00 0.00 O ATOM 612 CB SER A 39 100.626 -8.142 -1.970 1.00 0.00 C ATOM 613 OG SER A 39 100.384 -8.089 -0.569 1.00 0.00 O ATOM 0 H SER A 39 99.047 -6.363 -1.023 1.00 0.00 H new ATOM 0 HA SER A 39 99.599 -7.467 -3.779 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.830 -9.168 -2.277 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.508 -7.553 -2.220 1.00 0.00 H new ATOM 0 HG SER A 39 101.165 -8.436 -0.089 1.00 0.00 H new ATOM 619 N GLU A 40 98.332 -9.681 -3.306 1.00 0.00 N ATOM 620 CA GLU A 40 97.251 -10.704 -3.248 1.00 0.00 C ATOM 621 C GLU A 40 97.709 -11.924 -2.427 1.00 0.00 C ATOM 622 O GLU A 40 96.921 -12.791 -2.106 1.00 0.00 O ATOM 623 CB GLU A 40 97.010 -11.106 -4.701 1.00 0.00 C ATOM 624 CG GLU A 40 95.849 -12.103 -4.764 1.00 0.00 C ATOM 625 CD GLU A 40 95.599 -12.519 -6.217 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.437 -12.227 -7.056 1.00 0.00 O1- ATOM 627 OE2 GLU A 40 94.573 -13.130 -6.467 1.00 0.00 O ATOM 0 H GLU A 40 99.117 -9.917 -3.913 1.00 0.00 H new ATOM 0 HA GLU A 40 96.349 -10.320 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 40 96.781 -10.225 -5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 40 97.911 -11.553 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 40 96.078 -12.981 -4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 40 94.949 -11.654 -4.345 1.00 0.00 H new ATOM 634 N ILE A 41 98.973 -12.007 -2.098 1.00 0.00 N ATOM 635 CA ILE A 41 99.473 -13.170 -1.319 1.00 0.00 C ATOM 636 C ILE A 41 100.204 -12.671 -0.053 1.00 0.00 C ATOM 637 O ILE A 41 99.623 -11.953 0.738 1.00 0.00 O ATOM 638 CB ILE A 41 100.399 -13.912 -2.289 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.469 -12.947 -2.837 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.575 -14.472 -3.446 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.592 -13.748 -3.494 1.00 0.00 C ATOM 0 H ILE A 41 99.681 -11.313 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 41 98.684 -13.831 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 41 100.893 -14.728 -1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.022 -12.266 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.870 -12.335 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.231 -15.000 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.825 -15.162 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.079 -13.654 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.348 -13.065 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.045 -14.411 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.185 -14.341 -4.313 1.00 0.00 H new ATOM 653 N ASP A 42 101.461 -13.004 0.149 1.00 0.00 N ATOM 654 CA ASP A 42 102.166 -12.504 1.352 1.00 0.00 C ATOM 655 C ASP A 42 103.245 -11.509 0.920 1.00 0.00 C ATOM 656 O ASP A 42 103.917 -11.702 -0.074 1.00 0.00 O ATOM 657 CB ASP A 42 102.754 -13.755 2.004 1.00 0.00 C ATOM 658 CG ASP A 42 101.657 -14.469 2.794 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.708 -13.805 3.180 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 101.784 -15.664 3.005 1.00 0.00 O ATOM 0 H ASP A 42 102.016 -13.596 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 42 101.522 -11.973 2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.162 -14.419 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.577 -13.483 2.665 1.00 0.00 H new ATOM 665 N VAL A 43 103.391 -10.433 1.636 1.00 0.00 N ATOM 666 CA VAL A 43 104.399 -9.406 1.249 1.00 0.00 C ATOM 667 C VAL A 43 105.825 -9.962 1.333 1.00 0.00 C ATOM 668 O VAL A 43 106.636 -9.732 0.465 1.00 0.00 O ATOM 669 CB VAL A 43 104.209 -8.258 2.241 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.248 -7.170 1.968 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.804 -7.670 2.087 1.00 0.00 C ATOM 0 H VAL A 43 102.855 -10.218 2.476 1.00 0.00 H new ATOM 0 HA VAL A 43 104.260 -9.083 0.217 1.00 0.00 H new ATOM 0 HB VAL A 43 104.334 -8.635 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.112 -6.352 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.249 -7.586 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.124 -6.796 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.672 -6.852 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.676 -7.295 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.062 -8.444 2.284 1.00 0.00 H new ATOM 681 N PHE A 44 106.140 -10.687 2.370 1.00 0.00 N ATOM 682 CA PHE A 44 107.519 -11.250 2.500 1.00 0.00 C ATOM 683 C PHE A 44 107.850 -12.163 1.308 1.00 0.00 C ATOM 684 O PHE A 44 108.895 -12.039 0.698 1.00 0.00 O ATOM 685 CB PHE A 44 107.482 -12.055 3.796 1.00 0.00 C ATOM 686 CG PHE A 44 108.819 -12.715 4.021 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.869 -11.988 4.589 1.00 0.00 C ATOM 688 CD2 PHE A 44 109.006 -14.055 3.665 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.110 -12.598 4.801 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.246 -14.669 3.877 1.00 0.00 C ATOM 691 CZ PHE A 44 111.300 -13.939 4.445 1.00 0.00 C ATOM 0 H PHE A 44 105.505 -10.916 3.134 1.00 0.00 H new ATOM 0 HA PHE A 44 108.283 -10.472 2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.242 -11.402 4.635 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.697 -12.809 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.722 -10.954 4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.194 -14.616 3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.921 -12.035 5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.391 -15.704 3.603 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.258 -14.411 4.608 1.00 0.00 H new ATOM 701 N ASP A 45 106.966 -13.055 0.949 1.00 0.00 N ATOM 702 CA ASP A 45 107.234 -13.938 -0.228 1.00 0.00 C ATOM 703 C ASP A 45 107.136 -13.093 -1.498 1.00 0.00 C ATOM 704 O ASP A 45 107.904 -13.259 -2.424 1.00 0.00 O ATOM 705 CB ASP A 45 106.131 -14.997 -0.187 1.00 0.00 C ATOM 706 CG ASP A 45 106.287 -15.964 -1.366 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.331 -15.940 -1.998 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.360 -16.718 -1.611 1.00 0.00 O ATOM 0 H ASP A 45 106.073 -13.212 1.416 1.00 0.00 H new ATOM 0 HA ASP A 45 108.221 -14.400 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 45 106.178 -15.547 0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.153 -14.517 -0.227 1.00 0.00 H new ATOM 713 N ARG A 46 106.209 -12.179 -1.539 1.00 0.00 N ATOM 714 CA ARG A 46 106.067 -11.303 -2.738 1.00 0.00 C ATOM 715 C ARG A 46 107.325 -10.445 -2.915 1.00 0.00 C ATOM 716 O ARG A 46 107.799 -10.261 -4.019 1.00 0.00 O ATOM 717 CB ARG A 46 104.843 -10.428 -2.460 1.00 0.00 C ATOM 718 CG ARG A 46 104.549 -9.561 -3.690 1.00 0.00 C ATOM 719 CD ARG A 46 103.233 -8.803 -3.490 1.00 0.00 C ATOM 720 NE ARG A 46 103.088 -7.954 -4.709 1.00 0.00 N ATOM 721 CZ ARG A 46 102.048 -7.172 -4.843 1.00 0.00 C ATOM 722 NH1 ARG A 46 101.891 -6.150 -4.043 1.00 0.00 N ATOM 723 NH2 ARG A 46 101.171 -7.402 -5.784 1.00 0.00 N1+ ATOM 0 H ARG A 46 105.539 -11.999 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 46 105.945 -11.877 -3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 46 103.981 -11.053 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.023 -9.796 -1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.364 -8.856 -3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.487 -10.187 -4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.393 -9.490 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.261 -8.194 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 46 103.801 -7.984 -5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 46 102.580 -5.962 -3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 46 101.080 -5.540 -4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 46 101.297 -8.193 -6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 46 100.361 -6.791 -5.887 1.00 0.00 H new ATOM 737 N ALA A 47 107.885 -9.926 -1.853 1.00 0.00 N ATOM 738 CA ALA A 47 109.120 -9.100 -1.999 1.00 0.00 C ATOM 739 C ALA A 47 110.287 -9.975 -2.456 1.00 0.00 C ATOM 740 O ALA A 47 111.096 -9.568 -3.260 1.00 0.00 O ATOM 741 CB ALA A 47 109.396 -8.506 -0.617 1.00 0.00 C ATOM 0 H ALA A 47 107.544 -10.037 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 47 108.996 -8.316 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.293 -7.888 -0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.548 -7.895 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.544 -9.311 0.102 1.00 0.00 H new ATOM 747 N MET A 48 110.377 -11.181 -1.964 1.00 0.00 N ATOM 748 CA MET A 48 111.489 -12.073 -2.400 1.00 0.00 C ATOM 749 C MET A 48 111.385 -12.338 -3.900 1.00 0.00 C ATOM 750 O MET A 48 112.369 -12.280 -4.614 1.00 0.00 O ATOM 751 CB MET A 48 111.304 -13.372 -1.617 1.00 0.00 C ATOM 752 CG MET A 48 112.430 -14.342 -1.984 1.00 0.00 C ATOM 753 SD MET A 48 112.261 -15.866 -1.024 1.00 0.00 S ATOM 754 CE MET A 48 110.891 -16.578 -1.965 1.00 0.00 C ATOM 0 H MET A 48 109.733 -11.585 -1.284 1.00 0.00 H new ATOM 0 HA MET A 48 112.467 -11.628 -2.214 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.315 -13.170 -0.546 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.335 -13.816 -1.848 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.396 -14.567 -3.050 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.398 -13.882 -1.786 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.019 -16.678 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.648 -15.926 -2.804 1.00 0.00 H new ATOM 0 HE3 MET A 48 111.179 -17.560 -2.340 1.00 0.00 H new ATOM 764 N ASP A 49 110.210 -12.614 -4.394 1.00 0.00 N ATOM 765 CA ASP A 49 110.075 -12.863 -5.856 1.00 0.00 C ATOM 766 C ASP A 49 110.451 -11.594 -6.630 1.00 0.00 C ATOM 767 O ASP A 49 111.180 -11.638 -7.598 1.00 0.00 O ATOM 768 CB ASP A 49 108.608 -13.242 -6.073 1.00 0.00 C ATOM 769 CG ASP A 49 108.404 -13.748 -7.506 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.394 -13.995 -8.180 1.00 0.00 O ATOM 771 OD2 ASP A 49 107.259 -13.885 -7.906 1.00 0.00 O1- ATOM 0 H ASP A 49 109.346 -12.677 -3.855 1.00 0.00 H new ATOM 0 HA ASP A 49 110.735 -13.655 -6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.314 -14.013 -5.361 1.00 0.00 H new ATOM 0 HB3 ASP A 49 107.969 -12.378 -5.889 1.00 0.00 H new ATOM 776 N VAL A 50 109.971 -10.465 -6.187 1.00 0.00 N ATOM 777 CA VAL A 50 110.305 -9.176 -6.870 1.00 0.00 C ATOM 778 C VAL A 50 111.801 -8.875 -6.724 1.00 0.00 C ATOM 779 O VAL A 50 112.455 -8.486 -7.671 1.00 0.00 O ATOM 780 CB VAL A 50 109.454 -8.122 -6.155 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.775 -6.727 -6.694 1.00 0.00 C ATOM 782 CG2 VAL A 50 107.972 -8.421 -6.381 1.00 0.00 C ATOM 0 H VAL A 50 109.358 -10.376 -5.377 1.00 0.00 H new ATOM 0 HA VAL A 50 110.098 -9.200 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 50 109.679 -8.153 -5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.163 -5.988 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 50 110.829 -6.506 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.562 -6.692 -7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.368 -7.670 -5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.755 -8.398 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.735 -9.408 -5.984 1.00 0.00 H new ATOM 792 N PHE A 51 112.350 -9.062 -5.562 1.00 0.00 N ATOM 793 CA PHE A 51 113.805 -8.795 -5.377 1.00 0.00 C ATOM 794 C PHE A 51 114.613 -9.672 -6.346 1.00 0.00 C ATOM 795 O PHE A 51 115.506 -9.198 -7.026 1.00 0.00 O ATOM 796 CB PHE A 51 114.079 -9.175 -3.920 1.00 0.00 C ATOM 797 CG PHE A 51 115.539 -8.979 -3.609 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.089 -7.693 -3.582 1.00 0.00 C ATOM 799 CD2 PHE A 51 116.341 -10.088 -3.343 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.447 -7.519 -3.289 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.692 -9.914 -3.050 1.00 0.00 C ATOM 802 CZ PHE A 51 118.248 -8.632 -3.024 1.00 0.00 C ATOM 0 H PHE A 51 111.858 -9.388 -4.730 1.00 0.00 H new ATOM 0 HA PHE A 51 114.086 -7.762 -5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.470 -8.563 -3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 51 113.797 -10.213 -3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 51 115.466 -6.835 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 51 115.916 -11.080 -3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 51 117.874 -6.527 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 51 118.312 -10.773 -2.842 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.296 -8.502 -2.799 1.00 0.00 H new ATOM 812 N HIS A 52 114.293 -10.935 -6.446 1.00 0.00 N ATOM 813 CA HIS A 52 115.029 -11.813 -7.408 1.00 0.00 C ATOM 814 C HIS A 52 114.600 -11.476 -8.843 1.00 0.00 C ATOM 815 O HIS A 52 115.397 -11.513 -9.760 1.00 0.00 O ATOM 816 CB HIS A 52 114.634 -13.247 -7.054 1.00 0.00 C ATOM 817 CG HIS A 52 115.229 -13.638 -5.729 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.113 -13.098 -4.471 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.068 -14.733 -5.595 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 115.866 -13.846 -3.571 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.420 -14.818 -4.300 1.00 0.00 N flip ATOM 0 H HIS A 52 113.559 -11.396 -5.908 1.00 0.00 H new ATOM 0 HA HIS A 52 116.108 -11.675 -7.345 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.548 -13.333 -7.013 1.00 0.00 H new ATOM 0 HB3 HIS A 52 114.979 -13.929 -7.831 1.00 0.00 H new ATOM 0 HD1 HIS A 52 114.560 -12.275 -4.233 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.382 -15.397 -6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 52 115.978 -13.677 -2.510 1.00 0.00 H new ATOM 829 N ASN A 53 113.356 -11.144 -9.047 1.00 0.00 N ATOM 830 CA ASN A 53 112.891 -10.804 -10.428 1.00 0.00 C ATOM 831 C ASN A 53 113.664 -9.596 -10.956 1.00 0.00 C ATOM 832 O ASN A 53 113.995 -9.527 -12.124 1.00 0.00 O ATOM 833 CB ASN A 53 111.410 -10.463 -10.285 1.00 0.00 C ATOM 834 CG ASN A 53 110.589 -11.751 -10.208 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.006 -12.782 -10.692 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.435 -11.734 -9.606 1.00 0.00 N ATOM 0 H ASN A 53 112.640 -11.092 -8.322 1.00 0.00 H new ATOM 0 HA ASN A 53 113.051 -11.624 -11.128 1.00 0.00 H new ATOM 0 HB2 ASN A 53 111.250 -9.864 -9.388 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.082 -9.862 -11.133 1.00 0.00 H new ATOM 0 HD21 ASN A 53 108.881 -12.588 -9.541 1.00 0.00 H new ATOM 0 HD22 ASN A 53 109.085 -10.867 -9.199 1.00 0.00 H new ATOM 843 N LEU A 54 113.960 -8.645 -10.115 1.00 0.00 N ATOM 844 CA LEU A 54 114.730 -7.457 -10.588 1.00 0.00 C ATOM 845 C LEU A 54 116.240 -7.775 -10.619 1.00 0.00 C ATOM 846 O LEU A 54 117.056 -6.914 -10.880 1.00 0.00 O ATOM 847 CB LEU A 54 114.438 -6.353 -9.571 1.00 0.00 C ATOM 848 CG LEU A 54 112.967 -5.946 -9.658 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.609 -5.078 -8.450 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.727 -5.139 -10.937 1.00 0.00 C ATOM 0 H LEU A 54 113.705 -8.637 -9.127 1.00 0.00 H new ATOM 0 HA LEU A 54 114.445 -7.163 -11.598 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.669 -6.702 -8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 54 115.076 -5.490 -9.764 1.00 0.00 H new ATOM 0 HG LEU A 54 112.348 -6.843 -9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.560 -4.786 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.777 -5.643 -7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.234 -4.185 -8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.677 -4.851 -10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.348 -4.244 -10.924 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.984 -5.747 -11.804 1.00 0.00 H new ATOM 862 N LYS A 55 116.621 -9.008 -10.359 1.00 0.00 N ATOM 863 CA LYS A 55 118.064 -9.376 -10.382 1.00 0.00 C ATOM 864 C LYS A 55 118.886 -8.475 -9.456 1.00 0.00 C ATOM 865 O LYS A 55 120.029 -8.168 -9.732 1.00 0.00 O ATOM 866 CB LYS A 55 118.489 -9.213 -11.841 1.00 0.00 C ATOM 867 CG LYS A 55 117.803 -10.292 -12.688 1.00 0.00 C ATOM 868 CD LYS A 55 118.220 -10.139 -14.148 1.00 0.00 C ATOM 869 CE LYS A 55 117.516 -11.204 -14.994 1.00 0.00 C ATOM 870 NZ LYS A 55 117.994 -10.961 -16.383 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.986 -9.773 -10.132 1.00 0.00 H new ATOM 0 HA LYS A 55 118.230 -10.391 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.217 -8.222 -12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.572 -9.298 -11.929 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.075 -11.282 -12.323 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.720 -10.206 -12.598 1.00 0.00 H new ATOM 0 HD2 LYS A 55 117.962 -9.143 -14.509 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.301 -10.241 -14.241 1.00 0.00 H new ATOM 0 HE2 LYS A 55 117.771 -12.209 -14.658 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.432 -11.111 -14.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 117.557 -11.651 -17.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 117.731 -9.999 -16.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.028 -11.063 -16.417 1.00 0.00 H new ATOM 884 N MET A 56 118.325 -8.062 -8.347 1.00 0.00 N ATOM 885 CA MET A 56 119.113 -7.202 -7.415 1.00 0.00 C ATOM 886 C MET A 56 120.267 -8.014 -6.816 1.00 0.00 C ATOM 887 O MET A 56 121.188 -7.464 -6.247 1.00 0.00 O ATOM 888 CB MET A 56 118.144 -6.729 -6.339 1.00 0.00 C ATOM 889 CG MET A 56 117.242 -5.638 -6.917 1.00 0.00 C ATOM 890 SD MET A 56 116.092 -5.071 -5.641 1.00 0.00 S ATOM 891 CE MET A 56 117.309 -4.177 -4.642 1.00 0.00 C ATOM 0 H MET A 56 117.373 -8.278 -8.051 1.00 0.00 H new ATOM 0 HA MET A 56 119.556 -6.346 -7.924 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.541 -7.565 -5.983 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.695 -6.345 -5.480 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.845 -4.804 -7.275 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.690 -6.023 -7.774 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.822 -3.763 -3.759 1.00 0.00 H new ATOM 0 HE2 MET A 56 118.099 -4.861 -4.333 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.740 -3.368 -5.232 1.00 0.00 H new ATOM 901 N ASP A 57 120.260 -9.319 -6.974 1.00 0.00 N ATOM 902 CA ASP A 57 121.395 -10.130 -6.453 1.00 0.00 C ATOM 903 C ASP A 57 122.622 -9.961 -7.366 1.00 0.00 C ATOM 904 O ASP A 57 123.686 -10.473 -7.086 1.00 0.00 O ATOM 905 CB ASP A 57 120.889 -11.575 -6.468 1.00 0.00 C ATOM 906 CG ASP A 57 119.819 -11.769 -5.388 1.00 0.00 C ATOM 907 OD1 ASP A 57 119.650 -10.876 -4.579 1.00 0.00 O1- ATOM 908 OD2 ASP A 57 119.188 -12.817 -5.388 1.00 0.00 O ATOM 0 H ASP A 57 119.522 -9.848 -7.438 1.00 0.00 H new ATOM 0 HA ASP A 57 121.705 -9.826 -5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 57 120.475 -11.814 -7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 57 121.719 -12.261 -6.297 1.00 0.00 H new ATOM 913 N ASN A 58 122.497 -9.207 -8.440 1.00 0.00 N ATOM 914 CA ASN A 58 123.657 -8.969 -9.338 1.00 0.00 C ATOM 915 C ASN A 58 124.636 -7.992 -8.679 1.00 0.00 C ATOM 916 O ASN A 58 124.911 -6.932 -9.199 1.00 0.00 O ATOM 917 CB ASN A 58 123.045 -8.333 -10.591 1.00 0.00 C ATOM 918 CG ASN A 58 122.359 -9.410 -11.436 1.00 0.00 C ATOM 919 OD1 ASN A 58 122.371 -10.573 -11.087 1.00 0.00 O ATOM 920 ND2 ASN A 58 121.762 -9.069 -12.543 1.00 0.00 N ATOM 0 H ASN A 58 121.632 -8.748 -8.726 1.00 0.00 H new ATOM 0 HA ASN A 58 124.210 -9.882 -9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.324 -7.567 -10.306 1.00 0.00 H new ATOM 0 HB3 ASN A 58 123.821 -7.839 -11.175 1.00 0.00 H new ATOM 0 HD21 ASN A 58 121.305 -9.779 -13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 58 121.751 -8.092 -12.837 1.00 0.00 H new ATOM 927 N THR A 59 125.182 -8.352 -7.548 1.00 0.00 N ATOM 928 CA THR A 59 126.165 -7.457 -6.868 1.00 0.00 C ATOM 929 C THR A 59 127.384 -8.283 -6.457 1.00 0.00 C ATOM 930 O THR A 59 127.283 -9.441 -6.105 1.00 0.00 O ATOM 931 CB THR A 59 125.452 -6.868 -5.648 1.00 0.00 C ATOM 932 OG1 THR A 59 124.373 -6.052 -6.075 1.00 0.00 O ATOM 933 CG2 THR A 59 126.440 -6.030 -4.832 1.00 0.00 C ATOM 0 H THR A 59 124.990 -9.229 -7.064 1.00 0.00 H new ATOM 0 HA THR A 59 126.513 -6.654 -7.518 1.00 0.00 H new ATOM 0 HB THR A 59 125.067 -7.678 -5.028 1.00 0.00 H new ATOM 0 HG1 THR A 59 123.917 -5.677 -5.293 1.00 0.00 H new ATOM 0 HG21 THR A 59 125.931 -5.611 -3.964 1.00 0.00 H new ATOM 0 HG22 THR A 59 127.265 -6.661 -4.500 1.00 0.00 H new ATOM 0 HG23 THR A 59 126.828 -5.221 -5.450 1.00 0.00 H new ATOM 941 N LYS A 60 128.540 -7.687 -6.535 1.00 0.00 N ATOM 942 CA LYS A 60 129.799 -8.407 -6.194 1.00 0.00 C ATOM 943 C LYS A 60 129.824 -8.881 -4.740 1.00 0.00 C ATOM 944 O LYS A 60 130.247 -9.983 -4.454 1.00 0.00 O ATOM 945 CB LYS A 60 130.905 -7.382 -6.433 1.00 0.00 C ATOM 946 CG LYS A 60 132.267 -8.033 -6.195 1.00 0.00 C ATOM 947 CD LYS A 60 133.369 -7.018 -6.506 1.00 0.00 C ATOM 948 CE LYS A 60 134.741 -7.664 -6.288 1.00 0.00 C ATOM 949 NZ LYS A 60 135.742 -6.617 -6.652 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.668 -6.717 -6.825 1.00 0.00 H new ATOM 0 HA LYS A 60 129.910 -9.308 -6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.846 -7.000 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 60 130.776 -6.530 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 60 132.347 -8.370 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 60 132.378 -8.914 -6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 60 133.278 -6.672 -7.536 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.262 -6.143 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 60 134.865 -7.981 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 60 134.859 -8.552 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 136.702 -6.996 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 135.608 -6.339 -7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 135.614 -5.786 -6.040 1.00 0.00 H new ATOM 963 N LEU A 61 129.397 -8.063 -3.818 1.00 0.00 N ATOM 964 CA LEU A 61 129.426 -8.491 -2.390 1.00 0.00 C ATOM 965 C LEU A 61 128.054 -8.997 -1.924 1.00 0.00 C ATOM 966 O LEU A 61 127.885 -9.345 -0.773 1.00 0.00 O ATOM 967 CB LEU A 61 129.825 -7.252 -1.597 1.00 0.00 C ATOM 968 CG LEU A 61 131.188 -6.746 -2.059 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.503 -5.440 -1.326 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.264 -7.789 -1.735 1.00 0.00 C ATOM 0 H LEU A 61 129.033 -7.126 -3.988 1.00 0.00 H new ATOM 0 HA LEU A 61 130.124 -9.316 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 61 129.076 -6.471 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.858 -7.487 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 61 131.173 -6.574 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.476 -5.068 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.737 -4.700 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.521 -5.621 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.236 -7.424 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.289 -7.963 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 61 132.032 -8.722 -2.249 1.00 0.00 H new ATOM 982 N GLN A 62 127.077 -9.041 -2.800 1.00 0.00 N ATOM 983 CA GLN A 62 125.720 -9.535 -2.408 1.00 0.00 C ATOM 984 C GLN A 62 125.159 -8.752 -1.225 1.00 0.00 C ATOM 985 O GLN A 62 124.485 -9.278 -0.367 1.00 0.00 O ATOM 986 CB GLN A 62 125.910 -11.006 -2.024 1.00 0.00 C ATOM 987 CG GLN A 62 126.254 -11.818 -3.266 1.00 0.00 C ATOM 988 CD GLN A 62 126.436 -13.285 -2.876 1.00 0.00 C ATOM 989 OE1 GLN A 62 126.138 -13.672 -1.762 1.00 0.00 O ATOM 990 NE2 GLN A 62 126.931 -14.120 -3.745 1.00 0.00 N ATOM 0 H GLN A 62 127.163 -8.754 -3.775 1.00 0.00 H new ATOM 0 HA GLN A 62 125.010 -9.410 -3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.705 -11.099 -1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 62 125.000 -11.393 -1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.461 -11.723 -4.008 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.166 -11.435 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 62 127.181 -13.795 -4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 62 127.069 -15.098 -3.491 1.00 0.00 H new ATOM 999 N ASN A 63 125.439 -7.482 -1.203 1.00 0.00 N ATOM 1000 CA ASN A 63 124.947 -6.595 -0.113 1.00 0.00 C ATOM 1001 C ASN A 63 123.938 -5.587 -0.663 1.00 0.00 C ATOM 1002 O ASN A 63 124.015 -4.405 -0.396 1.00 0.00 O ATOM 1003 CB ASN A 63 126.189 -5.875 0.410 1.00 0.00 C ATOM 1004 CG ASN A 63 127.105 -6.876 1.111 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.669 -7.932 1.528 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.369 -6.587 1.259 1.00 0.00 N ATOM 0 H ASN A 63 126.001 -7.009 -1.911 1.00 0.00 H new ATOM 0 HA ASN A 63 124.441 -7.156 0.673 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.719 -5.397 -0.414 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.899 -5.085 1.103 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.992 -7.247 1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.734 -5.701 0.909 1.00 0.00 H new ATOM 1013 N GLY A 64 122.962 -6.059 -1.390 1.00 0.00 N ATOM 1014 CA GLY A 64 121.912 -5.144 -1.914 1.00 0.00 C ATOM 1015 C GLY A 64 120.730 -5.186 -0.944 1.00 0.00 C ATOM 1016 O GLY A 64 120.403 -6.223 -0.398 1.00 0.00 O ATOM 0 H GLY A 64 122.848 -7.040 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.299 -4.129 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.599 -5.453 -2.911 1.00 0.00 H new ATOM 1020 N VAL A 65 120.089 -4.076 -0.718 1.00 0.00 N ATOM 1021 CA VAL A 65 118.931 -4.074 0.225 1.00 0.00 C ATOM 1022 C VAL A 65 117.682 -3.532 -0.482 1.00 0.00 C ATOM 1023 O VAL A 65 117.723 -2.529 -1.164 1.00 0.00 O ATOM 1024 CB VAL A 65 119.360 -3.172 1.402 1.00 0.00 C ATOM 1025 CG1 VAL A 65 118.163 -2.872 2.314 1.00 0.00 C ATOM 1026 CG2 VAL A 65 120.439 -3.886 2.222 1.00 0.00 C ATOM 0 H VAL A 65 120.312 -3.175 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 65 118.676 -5.073 0.577 1.00 0.00 H new ATOM 0 HB VAL A 65 119.747 -2.236 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.484 -2.235 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 65 117.388 -2.362 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.765 -3.806 2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.744 -3.251 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 65 120.041 -4.824 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 65 121.301 -4.092 1.588 1.00 0.00 H new ATOM 1036 N LEU A 66 116.571 -4.199 -0.324 1.00 0.00 N ATOM 1037 CA LEU A 66 115.321 -3.726 -0.982 1.00 0.00 C ATOM 1038 C LEU A 66 114.279 -3.341 0.063 1.00 0.00 C ATOM 1039 O LEU A 66 113.970 -4.109 0.955 1.00 0.00 O ATOM 1040 CB LEU A 66 114.805 -4.927 -1.768 1.00 0.00 C ATOM 1041 CG LEU A 66 113.538 -4.514 -2.524 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.904 -3.521 -3.626 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.880 -5.749 -3.145 1.00 0.00 C ATOM 0 H LEU A 66 116.475 -5.049 0.231 1.00 0.00 H new ATOM 0 HA LEU A 66 115.508 -2.853 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.565 -5.275 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.589 -5.755 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 66 112.840 -4.047 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 66 113.003 -3.227 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 66 114.366 -2.639 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.604 -3.988 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.979 -5.450 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.575 -6.222 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.616 -6.455 -2.358 1.00 0.00 H new ATOM 1055 N ILE A 67 113.722 -2.171 -0.056 1.00 0.00 N ATOM 1056 CA ILE A 67 112.680 -1.766 0.927 1.00 0.00 C ATOM 1057 C ILE A 67 111.311 -1.789 0.252 1.00 0.00 C ATOM 1058 O ILE A 67 111.007 -0.960 -0.583 1.00 0.00 O ATOM 1059 CB ILE A 67 113.058 -0.359 1.376 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.431 -0.396 2.049 1.00 0.00 C ATOM 1061 CG2 ILE A 67 112.015 0.148 2.373 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.981 1.026 2.161 1.00 0.00 C ATOM 0 H ILE A 67 113.938 -1.485 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 67 112.626 -2.439 1.783 1.00 0.00 H new ATOM 0 HB ILE A 67 113.093 0.307 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.351 -0.846 3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 67 115.115 -1.018 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 67 112.281 1.154 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 67 111.035 0.167 1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.985 -0.516 3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.960 1.001 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 67 115.076 1.459 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 67 114.300 1.634 2.757 1.00 0.00 H new ATOM 1074 N TYR A 68 110.484 -2.733 0.602 1.00 0.00 N ATOM 1075 CA TYR A 68 109.135 -2.810 -0.028 1.00 0.00 C ATOM 1076 C TYR A 68 108.106 -2.106 0.857 1.00 0.00 C ATOM 1077 O TYR A 68 107.978 -2.393 2.029 1.00 0.00 O ATOM 1078 CB TYR A 68 108.826 -4.309 -0.120 1.00 0.00 C ATOM 1079 CG TYR A 68 107.609 -4.525 -0.988 1.00 0.00 C ATOM 1080 CD1 TYR A 68 106.328 -4.450 -0.427 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.757 -4.807 -2.352 1.00 0.00 C ATOM 1082 CE1 TYR A 68 105.199 -4.655 -1.227 1.00 0.00 C ATOM 1083 CE2 TYR A 68 106.625 -5.011 -3.152 1.00 0.00 C ATOM 1084 CZ TYR A 68 105.346 -4.934 -2.587 1.00 0.00 C ATOM 1085 OH TYR A 68 104.234 -5.135 -3.370 1.00 0.00 O ATOM 0 H TYR A 68 110.682 -3.454 1.296 1.00 0.00 H new ATOM 0 HA TYR A 68 109.104 -2.327 -1.005 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.681 -4.842 -0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.651 -4.716 0.876 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.212 -4.234 0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.744 -4.867 -2.787 1.00 0.00 H new ATOM 0 HE1 TYR A 68 104.212 -4.597 -0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 68 106.739 -5.228 -4.204 1.00 0.00 H new ATOM 0 HH TYR A 68 104.482 -5.064 -4.315 1.00 0.00 H new ATOM 1095 N VAL A 69 107.388 -1.169 0.307 1.00 0.00 N ATOM 1096 CA VAL A 69 106.379 -0.428 1.119 1.00 0.00 C ATOM 1097 C VAL A 69 104.979 -0.559 0.500 1.00 0.00 C ATOM 1098 O VAL A 69 104.779 -0.387 -0.685 1.00 0.00 O ATOM 1099 CB VAL A 69 106.857 1.038 1.127 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.775 1.960 1.721 1.00 0.00 C ATOM 1101 CG2 VAL A 69 108.125 1.149 1.974 1.00 0.00 C ATOM 0 H VAL A 69 107.454 -0.882 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 69 106.298 -0.824 2.131 1.00 0.00 H new ATOM 0 HB VAL A 69 107.058 1.345 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 69 106.132 2.990 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.867 1.889 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.559 1.655 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.467 2.184 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.911 0.829 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.902 0.513 1.550 1.00 0.00 H new ATOM 1111 N ALA A 70 104.019 -0.857 1.329 1.00 0.00 N ATOM 1112 CA ALA A 70 102.611 -0.999 0.868 1.00 0.00 C ATOM 1113 C ALA A 70 101.837 0.272 1.225 1.00 0.00 C ATOM 1114 O ALA A 70 101.306 0.396 2.310 1.00 0.00 O ATOM 1115 CB ALA A 70 102.069 -2.189 1.660 1.00 0.00 C ATOM 0 H ALA A 70 104.155 -1.011 2.328 1.00 0.00 H new ATOM 0 HA ALA A 70 102.524 -1.149 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 70 101.030 -2.368 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.662 -3.076 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 70 102.128 -1.973 2.727 1.00 0.00 H new ATOM 1121 N VAL A 71 101.787 1.228 0.339 1.00 0.00 N ATOM 1122 CA VAL A 71 101.063 2.495 0.657 1.00 0.00 C ATOM 1123 C VAL A 71 99.565 2.235 0.849 1.00 0.00 C ATOM 1124 O VAL A 71 98.885 2.983 1.523 1.00 0.00 O ATOM 1125 CB VAL A 71 101.289 3.417 -0.546 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.786 3.630 -0.760 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.690 2.767 -1.788 1.00 0.00 C ATOM 0 H VAL A 71 102.213 1.189 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 71 101.430 2.937 1.583 1.00 0.00 H new ATOM 0 HB VAL A 71 100.812 4.380 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.941 4.286 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 71 103.219 4.086 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 71 103.267 2.670 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.846 3.416 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 71 101.174 1.806 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.621 2.613 -1.639 1.00 0.00 H new ATOM 1137 N GLU A 72 99.046 1.177 0.284 1.00 0.00 N ATOM 1138 CA GLU A 72 97.597 0.892 0.467 1.00 0.00 C ATOM 1139 C GLU A 72 97.349 0.530 1.930 1.00 0.00 C ATOM 1140 O GLU A 72 96.408 0.994 2.542 1.00 0.00 O ATOM 1141 CB GLU A 72 97.318 -0.297 -0.447 1.00 0.00 C ATOM 1142 CG GLU A 72 95.810 -0.505 -0.570 1.00 0.00 C ATOM 1143 CD GLU A 72 95.192 0.614 -1.425 1.00 0.00 C ATOM 1144 OE1 GLU A 72 95.942 1.407 -1.975 1.00 0.00 O ATOM 1145 OE2 GLU A 72 93.975 0.657 -1.517 1.00 0.00 O1- ATOM 0 H GLU A 72 99.557 0.506 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 72 96.953 1.737 0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.753 -0.122 -1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 72 97.788 -1.195 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 72 95.604 -1.475 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 72 95.354 -0.512 0.420 1.00 0.00 H new ATOM 1152 N ASP A 73 98.190 -0.288 2.497 1.00 0.00 N ATOM 1153 CA ASP A 73 98.009 -0.671 3.930 1.00 0.00 C ATOM 1154 C ASP A 73 98.974 0.115 4.837 1.00 0.00 C ATOM 1155 O ASP A 73 99.097 -0.172 6.011 1.00 0.00 O ATOM 1156 CB ASP A 73 98.332 -2.165 3.987 1.00 0.00 C ATOM 1157 CG ASP A 73 97.264 -2.969 3.236 1.00 0.00 C ATOM 1158 OD1 ASP A 73 96.259 -2.388 2.858 1.00 0.00 O ATOM 1159 OD2 ASP A 73 97.472 -4.159 3.054 1.00 0.00 O1- ATOM 0 H ASP A 73 98.995 -0.709 2.033 1.00 0.00 H new ATOM 0 HA ASP A 73 97.001 -0.450 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.312 -2.349 3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.382 -2.494 5.025 1.00 0.00 H new ATOM 1164 N LYS A 74 99.663 1.097 4.308 1.00 0.00 N ATOM 1165 CA LYS A 74 100.619 1.883 5.143 1.00 0.00 C ATOM 1166 C LYS A 74 101.576 0.943 5.890 1.00 0.00 C ATOM 1167 O LYS A 74 101.890 1.157 7.044 1.00 0.00 O ATOM 1168 CB LYS A 74 99.754 2.676 6.127 1.00 0.00 C ATOM 1169 CG LYS A 74 100.333 4.083 6.311 1.00 0.00 C ATOM 1170 CD LYS A 74 99.384 4.913 7.182 1.00 0.00 C ATOM 1171 CE LYS A 74 99.950 6.324 7.369 1.00 0.00 C ATOM 1172 NZ LYS A 74 98.943 7.033 8.208 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.603 1.387 3.332 1.00 0.00 H new ATOM 0 HA LYS A 74 101.238 2.544 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.731 2.740 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.714 2.161 7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.316 4.026 6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.468 4.563 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.400 4.965 6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.252 4.433 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 74 100.924 6.297 7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.088 6.824 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.260 8.009 8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.028 7.048 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 98.837 6.538 9.116 1.00 0.00 H new ATOM 1186 N THR A 75 102.055 -0.087 5.235 1.00 0.00 N ATOM 1187 CA THR A 75 103.006 -1.029 5.903 1.00 0.00 C ATOM 1188 C THR A 75 104.320 -1.072 5.118 1.00 0.00 C ATOM 1189 O THR A 75 104.417 -0.559 4.021 1.00 0.00 O ATOM 1190 CB THR A 75 102.333 -2.403 5.873 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.121 -2.794 4.523 1.00 0.00 O ATOM 1192 CG2 THR A 75 100.994 -2.348 6.612 1.00 0.00 C ATOM 0 H THR A 75 101.828 -0.316 4.267 1.00 0.00 H new ATOM 0 HA THR A 75 103.233 -0.720 6.923 1.00 0.00 H new ATOM 0 HB THR A 75 102.978 -3.130 6.367 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.692 -3.675 4.501 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.523 -3.331 6.585 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.162 -2.054 7.648 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.342 -1.620 6.130 1.00 0.00 H new ATOM 1200 N PHE A 76 105.335 -1.679 5.674 1.00 0.00 N ATOM 1201 CA PHE A 76 106.646 -1.756 4.968 1.00 0.00 C ATOM 1202 C PHE A 76 107.417 -3.020 5.386 1.00 0.00 C ATOM 1203 O PHE A 76 107.365 -3.448 6.523 1.00 0.00 O ATOM 1204 CB PHE A 76 107.402 -0.493 5.417 1.00 0.00 C ATOM 1205 CG PHE A 76 107.672 -0.546 6.904 1.00 0.00 C ATOM 1206 CD1 PHE A 76 106.734 -0.040 7.809 1.00 0.00 C ATOM 1207 CD2 PHE A 76 108.866 -1.107 7.372 1.00 0.00 C ATOM 1208 CE1 PHE A 76 106.990 -0.096 9.184 1.00 0.00 C ATOM 1209 CE2 PHE A 76 109.123 -1.163 8.745 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.184 -0.658 9.652 1.00 0.00 C ATOM 0 H PHE A 76 105.312 -2.126 6.590 1.00 0.00 H new ATOM 0 HA PHE A 76 106.528 -1.809 3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.342 -0.410 4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.816 0.395 5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 76 105.813 0.393 7.448 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.590 -1.497 6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 76 106.266 0.294 9.884 1.00 0.00 H new ATOM 0 HE2 PHE A 76 110.045 -1.595 9.105 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.381 -0.702 10.713 1.00 0.00 H new ATOM 1220 N VAL A 77 108.145 -3.598 4.472 1.00 0.00 N ATOM 1221 CA VAL A 77 108.947 -4.813 4.795 1.00 0.00 C ATOM 1222 C VAL A 77 110.369 -4.612 4.251 1.00 0.00 C ATOM 1223 O VAL A 77 110.538 -4.148 3.141 1.00 0.00 O ATOM 1224 CB VAL A 77 108.234 -5.959 4.065 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.093 -7.229 4.102 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.897 -6.236 4.755 1.00 0.00 C ATOM 0 H VAL A 77 108.220 -3.278 3.506 1.00 0.00 H new ATOM 0 HA VAL A 77 109.025 -5.016 5.863 1.00 0.00 H new ATOM 0 HB VAL A 77 108.069 -5.672 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.575 -8.034 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.048 -7.036 3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.267 -7.521 5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.384 -7.049 4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.075 -6.517 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.278 -5.339 4.722 1.00 0.00 H new ATOM 1236 N ILE A 78 111.390 -4.943 5.001 1.00 0.00 N ATOM 1237 CA ILE A 78 112.775 -4.749 4.472 1.00 0.00 C ATOM 1238 C ILE A 78 113.462 -6.106 4.249 1.00 0.00 C ATOM 1239 O ILE A 78 113.575 -6.918 5.149 1.00 0.00 O ATOM 1240 CB ILE A 78 113.502 -3.924 5.534 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.754 -2.610 5.763 1.00 0.00 C ATOM 1242 CG2 ILE A 78 114.915 -3.610 5.043 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.342 -1.899 6.982 1.00 0.00 C ATOM 0 H ILE A 78 111.328 -5.333 5.941 1.00 0.00 H new ATOM 0 HA ILE A 78 112.779 -4.244 3.506 1.00 0.00 H new ATOM 0 HB ILE A 78 113.545 -4.489 6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 78 112.836 -1.973 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.693 -2.805 5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.439 -3.022 5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.455 -4.541 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 78 114.860 -3.043 4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.811 -0.962 7.148 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.237 -2.536 7.860 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.398 -1.692 6.808 1.00 0.00 H new ATOM 1255 N TYR A 79 113.911 -6.355 3.041 1.00 0.00 N ATOM 1256 CA TYR A 79 114.583 -7.657 2.723 1.00 0.00 C ATOM 1257 C TYR A 79 115.924 -7.420 2.024 1.00 0.00 C ATOM 1258 O TYR A 79 115.973 -6.972 0.893 1.00 0.00 O ATOM 1259 CB TYR A 79 113.615 -8.365 1.774 1.00 0.00 C ATOM 1260 CG TYR A 79 114.079 -9.784 1.520 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.015 -10.729 2.550 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.564 -10.157 0.257 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.433 -12.046 2.321 1.00 0.00 C ATOM 1264 CE2 TYR A 79 114.979 -11.475 0.029 1.00 0.00 C ATOM 1265 CZ TYR A 79 114.915 -12.419 1.059 1.00 0.00 C ATOM 1266 OH TYR A 79 115.324 -13.717 0.832 1.00 0.00 O ATOM 0 H TYR A 79 113.840 -5.708 2.256 1.00 0.00 H new ATOM 0 HA TYR A 79 114.796 -8.238 3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.613 -8.373 2.204 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.553 -7.820 0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 79 113.643 -10.443 3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.617 -9.428 -0.538 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.384 -12.774 3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.349 -11.763 -0.944 1.00 0.00 H new ATOM 0 HH TYR A 79 115.629 -13.807 -0.095 1.00 0.00 H new ATOM 1276 N GLY A 80 117.016 -7.724 2.674 1.00 0.00 N ATOM 1277 CA GLY A 80 118.336 -7.518 2.021 1.00 0.00 C ATOM 1278 C GLY A 80 118.832 -8.838 1.441 1.00 0.00 C ATOM 1279 O GLY A 80 118.235 -9.881 1.629 1.00 0.00 O ATOM 0 H GLY A 80 117.049 -8.103 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.250 -6.772 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.055 -7.134 2.745 1.00 0.00 H new ATOM 1283 N ASP A 81 119.916 -8.793 0.722 1.00 0.00 N ATOM 1284 CA ASP A 81 120.455 -10.036 0.112 1.00 0.00 C ATOM 1285 C ASP A 81 121.161 -10.871 1.183 1.00 0.00 C ATOM 1286 O ASP A 81 121.325 -10.446 2.311 1.00 0.00 O ATOM 1287 CB ASP A 81 121.448 -9.561 -0.950 1.00 0.00 C ATOM 1288 CG ASP A 81 121.883 -10.745 -1.823 1.00 0.00 C ATOM 1289 OD1 ASP A 81 121.218 -11.767 -1.779 1.00 0.00 O ATOM 1290 OD2 ASP A 81 122.876 -10.608 -2.521 1.00 0.00 O1- ATOM 0 H ASP A 81 120.453 -7.947 0.530 1.00 0.00 H new ATOM 0 HA ASP A 81 119.676 -10.663 -0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 81 120.990 -8.790 -1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.318 -9.111 -0.472 1.00 0.00 H new ATOM 1295 N LYS A 82 121.574 -12.058 0.841 1.00 0.00 N ATOM 1296 CA LYS A 82 122.267 -12.926 1.834 1.00 0.00 C ATOM 1297 C LYS A 82 123.541 -12.250 2.353 1.00 0.00 C ATOM 1298 O LYS A 82 124.031 -12.565 3.418 1.00 0.00 O ATOM 1299 CB LYS A 82 122.598 -14.208 1.068 1.00 0.00 C ATOM 1300 CG LYS A 82 121.300 -14.968 0.778 1.00 0.00 C ATOM 1301 CD LYS A 82 121.601 -16.247 -0.009 1.00 0.00 C ATOM 1302 CE LYS A 82 120.292 -16.992 -0.289 1.00 0.00 C ATOM 1303 NZ LYS A 82 120.686 -18.194 -1.076 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.461 -12.467 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 82 121.650 -13.122 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.109 -13.968 0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.276 -14.831 1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 82 120.799 -15.217 1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.618 -14.335 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.100 -16.001 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.281 -16.884 0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 82 119.794 -17.275 0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 82 119.595 -16.367 -0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 119.839 -18.753 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.151 -17.895 -1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 121.344 -18.775 -0.517 1.00 0.00 H new ATOM 1317 N GLY A 83 124.091 -11.329 1.603 1.00 0.00 N ATOM 1318 CA GLY A 83 125.340 -10.652 2.056 1.00 0.00 C ATOM 1319 C GLY A 83 125.067 -9.795 3.292 1.00 0.00 C ATOM 1320 O GLY A 83 125.756 -9.920 4.295 1.00 0.00 O ATOM 0 H GLY A 83 123.730 -11.019 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.102 -11.397 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 83 125.734 -10.028 1.254 1.00 0.00 H new ATOM 1324 N ILE A 84 124.065 -8.947 3.264 1.00 0.00 N ATOM 1325 CA ILE A 84 123.782 -8.133 4.481 1.00 0.00 C ATOM 1326 C ILE A 84 123.370 -9.074 5.614 1.00 0.00 C ATOM 1327 O ILE A 84 123.827 -8.955 6.724 1.00 0.00 O ATOM 1328 CB ILE A 84 122.646 -7.174 4.103 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.043 -6.358 2.861 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.378 -6.225 5.272 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.035 -6.612 1.745 1.00 0.00 C ATOM 0 H ILE A 84 123.446 -8.788 2.469 1.00 0.00 H new ATOM 0 HA ILE A 84 124.649 -7.566 4.821 1.00 0.00 H new ATOM 0 HB ILE A 84 121.747 -7.748 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 84 123.073 -5.296 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.044 -6.638 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.571 -5.541 5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.091 -6.802 6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.280 -5.654 5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.315 -6.035 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 84 122.027 -7.673 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.041 -6.310 2.076 1.00 0.00 H new ATOM 1343 N ASN A 85 122.484 -9.999 5.351 1.00 0.00 N ATOM 1344 CA ASN A 85 122.025 -10.908 6.444 1.00 0.00 C ATOM 1345 C ASN A 85 123.179 -11.737 7.023 1.00 0.00 C ATOM 1346 O ASN A 85 123.233 -11.971 8.215 1.00 0.00 O ATOM 1347 CB ASN A 85 120.989 -11.831 5.812 1.00 0.00 C ATOM 1348 CG ASN A 85 119.658 -11.092 5.658 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.465 -10.029 6.216 1.00 0.00 O ATOM 1350 ND2 ASN A 85 118.720 -11.627 4.926 1.00 0.00 N ATOM 0 H ASN A 85 122.062 -10.164 4.437 1.00 0.00 H new ATOM 0 HA ASN A 85 121.616 -10.329 7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.340 -12.173 4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 85 120.853 -12.718 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 85 117.823 -11.154 4.821 1.00 0.00 H new ATOM 0 HD22 ASN A 85 118.884 -12.519 4.459 1.00 0.00 H new ATOM 1357 N ASP A 86 124.098 -12.187 6.214 1.00 0.00 N ATOM 1358 CA ASP A 86 125.227 -13.002 6.755 1.00 0.00 C ATOM 1359 C ASP A 86 126.211 -12.149 7.557 1.00 0.00 C ATOM 1360 O ASP A 86 126.966 -12.659 8.362 1.00 0.00 O ATOM 1361 CB ASP A 86 125.936 -13.562 5.517 1.00 0.00 C ATOM 1362 CG ASP A 86 125.081 -14.651 4.861 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.106 -15.064 5.469 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 125.420 -15.059 3.762 1.00 0.00 O ATOM 0 H ASP A 86 124.118 -12.028 5.207 1.00 0.00 H new ATOM 0 HA ASP A 86 124.860 -13.775 7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.125 -12.760 4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 86 126.906 -13.972 5.799 1.00 0.00 H new ATOM 1369 N VAL A 87 126.242 -10.862 7.327 1.00 0.00 N ATOM 1370 CA VAL A 87 127.224 -10.013 8.066 1.00 0.00 C ATOM 1371 C VAL A 87 126.590 -9.224 9.232 1.00 0.00 C ATOM 1372 O VAL A 87 127.283 -8.805 10.138 1.00 0.00 O ATOM 1373 CB VAL A 87 127.785 -9.055 7.004 1.00 0.00 C ATOM 1374 CG1 VAL A 87 126.715 -8.046 6.571 1.00 0.00 C ATOM 1375 CG2 VAL A 87 128.972 -8.302 7.592 1.00 0.00 C ATOM 0 H VAL A 87 125.639 -10.367 6.669 1.00 0.00 H new ATOM 0 HA VAL A 87 127.990 -10.630 8.536 1.00 0.00 H new ATOM 0 HB VAL A 87 128.096 -9.634 6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.130 -7.376 5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 87 125.861 -8.578 6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.391 -7.466 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.376 -7.620 6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.647 -7.734 8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.743 -9.013 7.889 1.00 0.00 H new ATOM 1385 N VAL A 88 125.298 -9.003 9.222 1.00 0.00 N ATOM 1386 CA VAL A 88 124.685 -8.222 10.340 1.00 0.00 C ATOM 1387 C VAL A 88 123.571 -9.018 11.033 1.00 0.00 C ATOM 1388 O VAL A 88 123.146 -10.052 10.559 1.00 0.00 O ATOM 1389 CB VAL A 88 124.148 -6.945 9.700 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.294 -6.189 9.026 1.00 0.00 C ATOM 1391 CG2 VAL A 88 123.085 -7.290 8.667 1.00 0.00 C ATOM 0 H VAL A 88 124.651 -9.323 8.501 1.00 0.00 H new ATOM 0 HA VAL A 88 125.413 -7.999 11.120 1.00 0.00 H new ATOM 0 HB VAL A 88 123.704 -6.317 10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.909 -5.277 8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 88 126.048 -5.932 9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.743 -6.818 8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.706 -6.373 8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.521 -7.923 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.265 -7.821 9.152 1.00 0.00 H new ATOM 1401 N SER A 89 123.137 -8.569 12.184 1.00 0.00 N ATOM 1402 CA SER A 89 122.097 -9.329 12.952 1.00 0.00 C ATOM 1403 C SER A 89 120.745 -8.597 13.028 1.00 0.00 C ATOM 1404 O SER A 89 120.549 -7.547 12.444 1.00 0.00 O ATOM 1405 CB SER A 89 122.694 -9.460 14.352 1.00 0.00 C ATOM 1406 OG SER A 89 123.954 -10.112 14.263 1.00 0.00 O ATOM 0 H SER A 89 123.457 -7.708 12.628 1.00 0.00 H new ATOM 0 HA SER A 89 121.878 -10.282 12.470 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.812 -8.475 14.804 1.00 0.00 H new ATOM 0 HB3 SER A 89 122.022 -10.028 14.995 1.00 0.00 H new ATOM 0 HG SER A 89 124.342 -10.197 15.159 1.00 0.00 H new ATOM 1412 N ASP A 90 119.811 -9.156 13.759 1.00 0.00 N ATOM 1413 CA ASP A 90 118.468 -8.515 13.889 1.00 0.00 C ATOM 1414 C ASP A 90 118.600 -7.141 14.558 1.00 0.00 C ATOM 1415 O ASP A 90 117.940 -6.194 14.183 1.00 0.00 O ATOM 1416 CB ASP A 90 117.668 -9.455 14.797 1.00 0.00 C ATOM 1417 CG ASP A 90 117.042 -10.578 13.968 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.026 -10.460 12.754 1.00 0.00 O1- ATOM 1419 OD2 ASP A 90 116.600 -11.546 14.566 1.00 0.00 O ATOM 0 H ASP A 90 119.923 -10.031 14.272 1.00 0.00 H new ATOM 0 HA ASP A 90 117.992 -8.364 12.920 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.320 -9.877 15.562 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.888 -8.897 15.315 1.00 0.00 H new ATOM 1424 N ASP A 91 119.448 -7.025 15.549 1.00 0.00 N ATOM 1425 CA ASP A 91 119.612 -5.710 16.239 1.00 0.00 C ATOM 1426 C ASP A 91 120.114 -4.658 15.252 1.00 0.00 C ATOM 1427 O ASP A 91 119.686 -3.521 15.270 1.00 0.00 O ATOM 1428 CB ASP A 91 120.638 -5.951 17.348 1.00 0.00 C ATOM 1429 CG ASP A 91 119.946 -6.498 18.603 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.724 -6.534 18.623 1.00 0.00 O1- ATOM 1431 OD2 ASP A 91 120.650 -6.865 19.531 1.00 0.00 O ATOM 0 H ASP A 91 120.031 -7.781 15.909 1.00 0.00 H new ATOM 0 HA ASP A 91 118.670 -5.341 16.645 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.395 -6.656 17.005 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.153 -5.020 17.585 1.00 0.00 H new ATOM 1436 N PHE A 92 120.998 -5.034 14.368 1.00 0.00 N ATOM 1437 CA PHE A 92 121.496 -4.062 13.357 1.00 0.00 C ATOM 1438 C PHE A 92 120.345 -3.672 12.427 1.00 0.00 C ATOM 1439 O PHE A 92 120.310 -2.590 11.875 1.00 0.00 O ATOM 1440 CB PHE A 92 122.620 -4.782 12.610 1.00 0.00 C ATOM 1441 CG PHE A 92 123.068 -3.960 11.420 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.013 -2.943 11.586 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.537 -4.222 10.150 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.430 -2.188 10.482 1.00 0.00 C ATOM 1445 CE2 PHE A 92 122.953 -3.466 9.047 1.00 0.00 C ATOM 1446 CZ PHE A 92 123.901 -2.451 9.212 1.00 0.00 C ATOM 0 H PHE A 92 121.396 -5.971 14.303 1.00 0.00 H new ATOM 0 HA PHE A 92 121.870 -3.139 13.800 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.462 -4.952 13.281 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.276 -5.761 12.276 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.421 -2.740 12.565 1.00 0.00 H new ATOM 0 HD2 PHE A 92 121.807 -5.007 10.022 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.160 -1.402 10.610 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.542 -3.667 8.069 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.225 -1.870 8.361 1.00 0.00 H new ATOM 1456 N TRP A 93 119.399 -4.555 12.266 1.00 0.00 N ATOM 1457 CA TRP A 93 118.237 -4.259 11.391 1.00 0.00 C ATOM 1458 C TRP A 93 117.150 -3.530 12.182 1.00 0.00 C ATOM 1459 O TRP A 93 116.323 -2.830 11.646 1.00 0.00 O ATOM 1460 CB TRP A 93 117.734 -5.628 10.952 1.00 0.00 C ATOM 1461 CG TRP A 93 118.347 -5.994 9.644 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.636 -6.357 9.458 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.716 -6.045 8.339 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.831 -6.630 8.117 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.679 -6.449 7.387 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.414 -5.787 7.891 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.365 -6.584 6.037 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.091 -5.924 6.536 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.064 -6.324 5.610 1.00 0.00 C ATOM 0 H TRP A 93 119.384 -5.474 12.707 1.00 0.00 H new ATOM 0 HA TRP A 93 118.503 -3.620 10.549 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.985 -6.376 11.704 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.648 -5.616 10.864 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.389 -6.423 10.230 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.721 -6.929 7.717 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.655 -5.481 8.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.122 -6.887 5.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.085 -5.720 6.202 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.806 -6.431 4.567 1.00 0.00 H new ATOM 1480 N ASP A 94 117.110 -3.752 13.461 1.00 0.00 N ATOM 1481 CA ASP A 94 116.039 -3.138 14.290 1.00 0.00 C ATOM 1482 C ASP A 94 115.996 -1.613 14.155 1.00 0.00 C ATOM 1483 O ASP A 94 114.927 -1.037 14.073 1.00 0.00 O ATOM 1484 CB ASP A 94 116.375 -3.547 15.722 1.00 0.00 C ATOM 1485 CG ASP A 94 115.801 -4.936 16.018 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.998 -5.413 15.229 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 116.178 -5.502 17.030 1.00 0.00 O ATOM 0 H ASP A 94 117.774 -4.334 13.972 1.00 0.00 H new ATOM 0 HA ASP A 94 115.053 -3.478 13.974 1.00 0.00 H new ATOM 0 HB2 ASP A 94 117.456 -3.553 15.863 1.00 0.00 H new ATOM 0 HB3 ASP A 94 115.966 -2.819 16.422 1.00 0.00 H new ATOM 1492 N THR A 95 117.122 -0.943 14.143 1.00 0.00 N ATOM 1493 CA THR A 95 117.074 0.546 14.030 1.00 0.00 C ATOM 1494 C THR A 95 116.442 0.926 12.683 1.00 0.00 C ATOM 1495 O THR A 95 115.766 1.928 12.549 1.00 0.00 O ATOM 1496 CB THR A 95 118.530 1.010 14.139 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.059 0.569 15.392 1.00 0.00 O ATOM 1498 CG2 THR A 95 118.605 2.541 14.047 1.00 0.00 C ATOM 0 H THR A 95 118.054 -1.353 14.205 1.00 0.00 H new ATOM 0 HA THR A 95 116.469 1.019 14.804 1.00 0.00 H new ATOM 0 HB THR A 95 119.113 0.587 13.321 1.00 0.00 H new ATOM 0 HG1 THR A 95 119.992 0.858 15.473 1.00 0.00 H new ATOM 0 HG21 THR A 95 119.644 2.860 14.126 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.196 2.869 13.091 1.00 0.00 H new ATOM 0 HG23 THR A 95 118.028 2.983 14.859 1.00 0.00 H new ATOM 1506 N THR A 96 116.661 0.100 11.690 1.00 0.00 N ATOM 1507 CA THR A 96 116.096 0.350 10.326 1.00 0.00 C ATOM 1508 C THR A 96 114.572 0.433 10.379 1.00 0.00 C ATOM 1509 O THR A 96 113.942 1.332 9.846 1.00 0.00 O ATOM 1510 CB THR A 96 116.453 -0.925 9.548 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.814 -1.274 9.785 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.242 -0.686 8.055 1.00 0.00 C ATOM 0 H THR A 96 117.217 -0.752 11.768 1.00 0.00 H new ATOM 0 HA THR A 96 116.477 1.276 9.895 1.00 0.00 H new ATOM 0 HB THR A 96 115.811 -1.740 9.883 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.080 -1.989 9.170 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.495 -1.591 7.502 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.199 -0.429 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.881 0.132 7.724 1.00 0.00 H new ATOM 1520 N ARG A 97 113.993 -0.540 11.027 1.00 0.00 N ATOM 1521 CA ARG A 97 112.511 -0.622 11.156 1.00 0.00 C ATOM 1522 C ARG A 97 111.958 0.488 12.044 1.00 0.00 C ATOM 1523 O ARG A 97 110.895 1.019 11.778 1.00 0.00 O ATOM 1524 CB ARG A 97 112.259 -1.993 11.785 1.00 0.00 C ATOM 1525 CG ARG A 97 112.586 -3.078 10.758 1.00 0.00 C ATOM 1526 CD ARG A 97 112.385 -4.464 11.374 1.00 0.00 C ATOM 1527 NE ARG A 97 112.701 -5.410 10.267 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.860 -6.684 10.514 1.00 0.00 C ATOM 1529 NH1 ARG A 97 111.818 -7.467 10.619 1.00 0.00 N1+ ATOM 1530 NH2 ARG A 97 114.061 -7.175 10.651 1.00 0.00 N ATOM 0 H ARG A 97 114.498 -1.300 11.483 1.00 0.00 H new ATOM 0 HA ARG A 97 112.015 -0.501 10.193 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.876 -2.118 12.675 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.220 -2.076 12.103 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.947 -2.965 9.882 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.616 -2.969 10.418 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.043 -4.618 12.229 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.363 -4.596 11.730 1.00 0.00 H new ATOM 0 HE ARG A 97 112.794 -5.062 9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 97 110.879 -7.084 10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 97 111.944 -8.461 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 97 114.874 -6.565 10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 97 114.187 -8.169 10.844 1.00 0.00 H new ATOM 1544 N ASN A 98 112.638 0.835 13.104 1.00 0.00 N ATOM 1545 CA ASN A 98 112.096 1.904 13.993 1.00 0.00 C ATOM 1546 C ASN A 98 112.026 3.235 13.237 1.00 0.00 C ATOM 1547 O ASN A 98 111.055 3.956 13.335 1.00 0.00 O ATOM 1548 CB ASN A 98 113.053 1.985 15.192 1.00 0.00 C ATOM 1549 CG ASN A 98 112.814 0.813 16.156 1.00 0.00 C ATOM 1550 OD1 ASN A 98 113.755 0.230 16.657 1.00 0.00 O ATOM 1551 ND2 ASN A 98 111.595 0.448 16.462 1.00 0.00 N ATOM 0 H ASN A 98 113.531 0.433 13.390 1.00 0.00 H new ATOM 0 HA ASN A 98 111.082 1.683 14.326 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.085 1.970 14.842 1.00 0.00 H new ATOM 0 HB3 ASN A 98 112.908 2.929 15.716 1.00 0.00 H new ATOM 0 HD21 ASN A 98 111.441 -0.320 17.116 1.00 0.00 H new ATOM 0 HD22 ASN A 98 110.799 0.931 16.047 1.00 0.00 H new ATOM 1558 N ALA A 99 113.029 3.580 12.473 1.00 0.00 N ATOM 1559 CA ALA A 99 112.971 4.868 11.727 1.00 0.00 C ATOM 1560 C ALA A 99 111.788 4.876 10.759 1.00 0.00 C ATOM 1561 O ALA A 99 111.003 5.805 10.733 1.00 0.00 O ATOM 1562 CB ALA A 99 114.283 4.926 10.958 1.00 0.00 C ATOM 0 H ALA A 99 113.877 3.031 12.335 1.00 0.00 H new ATOM 0 HA ALA A 99 112.839 5.723 12.391 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.324 5.848 10.378 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.117 4.901 11.659 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.349 4.071 10.285 1.00 0.00 H new ATOM 1568 N ILE A 100 111.639 3.845 9.975 1.00 0.00 N ATOM 1569 CA ILE A 100 110.491 3.808 9.022 1.00 0.00 C ATOM 1570 C ILE A 100 109.164 3.680 9.784 1.00 0.00 C ATOM 1571 O ILE A 100 108.188 4.312 9.455 1.00 0.00 O ATOM 1572 CB ILE A 100 110.735 2.576 8.132 1.00 0.00 C ATOM 1573 CG1 ILE A 100 111.998 2.788 7.287 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.550 2.370 7.170 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.427 1.454 6.671 1.00 0.00 C ATOM 0 H ILE A 100 112.255 3.033 9.951 1.00 0.00 H new ATOM 0 HA ILE A 100 110.423 4.721 8.430 1.00 0.00 H new ATOM 0 HB ILE A 100 110.848 1.705 8.778 1.00 0.00 H new ATOM 0 HG12 ILE A 100 111.805 3.519 6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 100 112.800 3.190 7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 100 109.735 1.495 6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 100 108.637 2.218 7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.438 3.250 6.537 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.324 1.602 6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 100 112.636 0.737 7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 100 111.626 1.071 6.039 1.00 0.00 H new ATOM 1587 N GLN A 101 109.119 2.848 10.788 1.00 0.00 N ATOM 1588 CA GLN A 101 107.838 2.659 11.539 1.00 0.00 C ATOM 1589 C GLN A 101 107.384 3.953 12.232 1.00 0.00 C ATOM 1590 O GLN A 101 106.228 4.322 12.170 1.00 0.00 O ATOM 1591 CB GLN A 101 108.150 1.575 12.571 1.00 0.00 C ATOM 1592 CG GLN A 101 106.889 1.218 13.364 1.00 0.00 C ATOM 1593 CD GLN A 101 107.194 0.018 14.267 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.135 -0.712 14.024 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.440 -0.217 15.305 1.00 0.00 N ATOM 0 H GLN A 101 109.907 2.292 11.122 1.00 0.00 H new ATOM 0 HA GLN A 101 107.022 2.382 10.872 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.537 0.687 12.071 1.00 0.00 H new ATOM 0 HB3 GLN A 101 108.929 1.923 13.250 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.567 2.069 13.964 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.071 0.980 12.684 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.650 0.395 15.510 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.640 -1.012 15.911 1.00 0.00 H new ATOM 1604 N LEU A 102 108.270 4.633 12.902 1.00 0.00 N ATOM 1605 CA LEU A 102 107.874 5.885 13.612 1.00 0.00 C ATOM 1606 C LEU A 102 107.407 6.978 12.646 1.00 0.00 C ATOM 1607 O LEU A 102 106.419 7.652 12.891 1.00 0.00 O ATOM 1608 CB LEU A 102 109.145 6.312 14.357 1.00 0.00 C ATOM 1609 CG LEU A 102 109.254 5.600 15.729 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.253 6.221 16.700 1.00 0.00 C ATOM 1611 CD2 LEU A 102 108.953 4.090 15.625 1.00 0.00 C ATOM 0 H LEU A 102 109.254 4.378 12.990 1.00 0.00 H new ATOM 0 HA LEU A 102 107.027 5.720 14.278 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.021 6.078 13.752 1.00 0.00 H new ATOM 0 HB3 LEU A 102 109.139 7.392 14.504 1.00 0.00 H new ATOM 0 HG LEU A 102 110.278 5.725 16.081 1.00 0.00 H new ATOM 0 HD11 LEU A 102 108.327 5.723 17.667 1.00 0.00 H new ATOM 0 HD12 LEU A 102 108.473 7.282 16.821 1.00 0.00 H new ATOM 0 HD13 LEU A 102 107.243 6.103 16.307 1.00 0.00 H new ATOM 0 HD21 LEU A 102 109.041 3.633 16.610 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.941 3.946 15.248 1.00 0.00 H new ATOM 0 HD23 LEU A 102 109.664 3.623 14.943 1.00 0.00 H new ATOM 1623 N GLN A 103 108.088 7.154 11.546 1.00 0.00 N ATOM 1624 CA GLN A 103 107.649 8.205 10.588 1.00 0.00 C ATOM 1625 C GLN A 103 106.354 7.746 9.900 1.00 0.00 C ATOM 1626 O GLN A 103 105.423 8.510 9.724 1.00 0.00 O ATOM 1627 CB GLN A 103 108.806 8.368 9.611 1.00 0.00 C ATOM 1628 CG GLN A 103 110.006 8.986 10.330 1.00 0.00 C ATOM 1629 CD GLN A 103 109.630 10.379 10.836 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.101 11.181 10.097 1.00 0.00 O ATOM 1631 NE2 GLN A 103 109.886 10.703 12.075 1.00 0.00 N ATOM 0 H GLN A 103 108.916 6.624 11.273 1.00 0.00 H new ATOM 0 HA GLN A 103 107.424 9.160 11.062 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.080 7.400 9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.504 9.002 8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.310 8.353 11.164 1.00 0.00 H new ATOM 0 HG3 GLN A 103 110.857 9.050 9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.331 10.028 12.697 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.641 11.631 12.421 1.00 0.00 H new ATOM 1640 N PHE A 104 106.287 6.491 9.538 1.00 0.00 N ATOM 1641 CA PHE A 104 105.046 5.958 8.894 1.00 0.00 C ATOM 1642 C PHE A 104 103.882 6.133 9.862 1.00 0.00 C ATOM 1643 O PHE A 104 102.778 6.473 9.485 1.00 0.00 O ATOM 1644 CB PHE A 104 105.302 4.468 8.669 1.00 0.00 C ATOM 1645 CG PHE A 104 105.834 4.247 7.273 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.083 4.763 6.903 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.076 3.516 6.350 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.574 4.543 5.612 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.566 3.300 5.058 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.817 3.815 4.690 1.00 0.00 C ATOM 0 H PHE A 104 107.037 5.811 9.660 1.00 0.00 H new ATOM 0 HA PHE A 104 104.809 6.470 7.961 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.017 4.097 9.404 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.379 3.905 8.810 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.666 5.330 7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.113 3.119 6.636 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.539 4.936 5.327 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.982 2.737 4.345 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.196 3.649 3.693 1.00 0.00 H new ATOM 1660 N LYS A 105 104.141 5.889 11.115 1.00 0.00 N ATOM 1661 CA LYS A 105 103.083 6.022 12.153 1.00 0.00 C ATOM 1662 C LYS A 105 102.572 7.464 12.198 1.00 0.00 C ATOM 1663 O LYS A 105 101.407 7.708 12.439 1.00 0.00 O ATOM 1664 CB LYS A 105 103.782 5.645 13.450 1.00 0.00 C ATOM 1665 CG LYS A 105 102.779 5.613 14.597 1.00 0.00 C ATOM 1666 CD LYS A 105 103.502 5.140 15.852 1.00 0.00 C ATOM 1667 CE LYS A 105 102.523 5.069 17.019 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.350 4.616 18.172 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.053 5.599 11.468 1.00 0.00 H new ATOM 0 HA LYS A 105 102.213 5.393 11.961 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.257 4.670 13.345 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.572 6.363 13.668 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.352 6.603 14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 105 101.952 4.943 14.360 1.00 0.00 H new ATOM 0 HD2 LYS A 105 103.946 4.160 15.679 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.318 5.822 16.091 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.067 6.040 17.214 1.00 0.00 H new ATOM 0 HE3 LYS A 105 101.711 4.371 16.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 102.752 4.540 19.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 103.766 3.687 17.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.111 5.304 18.345 1.00 0.00 H new ATOM 1682 N GLN A 106 103.423 8.423 11.935 1.00 0.00 N ATOM 1683 CA GLN A 106 102.963 9.844 11.922 1.00 0.00 C ATOM 1684 C GLN A 106 102.300 10.158 10.566 1.00 0.00 C ATOM 1685 O GLN A 106 101.566 11.119 10.436 1.00 0.00 O ATOM 1686 CB GLN A 106 104.241 10.673 12.104 1.00 0.00 C ATOM 1687 CG GLN A 106 104.790 10.465 13.520 1.00 0.00 C ATOM 1688 CD GLN A 106 106.129 11.193 13.672 1.00 0.00 C ATOM 1689 OE1 GLN A 106 106.534 11.936 12.799 1.00 0.00 O ATOM 1690 NE2 GLN A 106 106.843 11.003 14.751 1.00 0.00 N ATOM 0 H GLN A 106 104.412 8.284 11.730 1.00 0.00 H new ATOM 0 HA GLN A 106 102.229 10.058 12.699 1.00 0.00 H new ATOM 0 HB2 GLN A 106 104.987 10.377 11.366 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.029 11.729 11.937 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.077 10.840 14.255 1.00 0.00 H new ATOM 0 HG3 GLN A 106 104.920 9.401 13.716 1.00 0.00 H new ATOM 0 HE21 GLN A 106 106.504 10.380 15.484 1.00 0.00 H new ATOM 0 HE22 GLN A 106 107.739 11.478 14.860 1.00 0.00 H new ATOM 1699 N GLY A 107 102.540 9.346 9.561 1.00 0.00 N ATOM 1700 CA GLY A 107 101.912 9.590 8.228 1.00 0.00 C ATOM 1701 C GLY A 107 102.944 10.144 7.232 1.00 0.00 C ATOM 1702 O GLY A 107 102.593 10.594 6.159 1.00 0.00 O ATOM 0 H GLY A 107 103.144 8.526 9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.491 8.661 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.087 10.294 8.333 1.00 0.00 H new ATOM 1706 N ASN A 108 104.209 10.120 7.568 1.00 0.00 N ATOM 1707 CA ASN A 108 105.239 10.646 6.621 1.00 0.00 C ATOM 1708 C ASN A 108 106.068 9.500 6.027 1.00 0.00 C ATOM 1709 O ASN A 108 107.092 9.114 6.555 1.00 0.00 O ATOM 1710 CB ASN A 108 106.125 11.574 7.459 1.00 0.00 C ATOM 1711 CG ASN A 108 105.411 12.907 7.687 1.00 0.00 C ATOM 1712 OD1 ASN A 108 104.442 13.214 7.020 1.00 0.00 O ATOM 1713 ND2 ASN A 108 105.858 13.724 8.601 1.00 0.00 N ATOM 0 H ASN A 108 104.572 9.761 8.451 1.00 0.00 H new ATOM 0 HA ASN A 108 104.784 11.169 5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.355 11.106 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.074 11.742 6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 108 105.394 14.619 8.755 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.671 13.467 9.161 1.00 0.00 H new ATOM 1720 N PHE A 109 105.622 8.956 4.924 1.00 0.00 N ATOM 1721 CA PHE A 109 106.360 7.835 4.268 1.00 0.00 C ATOM 1722 C PHE A 109 107.748 8.276 3.793 1.00 0.00 C ATOM 1723 O PHE A 109 108.720 7.560 3.941 1.00 0.00 O ATOM 1724 CB PHE A 109 105.508 7.473 3.042 1.00 0.00 C ATOM 1725 CG PHE A 109 104.072 7.176 3.438 1.00 0.00 C ATOM 1726 CD1 PHE A 109 103.776 6.546 4.656 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.029 7.538 2.572 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.448 6.283 5.007 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.702 7.274 2.923 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.411 6.648 4.141 1.00 0.00 C ATOM 0 H PHE A 109 104.769 9.244 4.445 1.00 0.00 H new ATOM 0 HA PHE A 109 106.507 7.005 4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.528 8.295 2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 109 105.937 6.605 2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.576 6.263 5.324 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.252 8.022 1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.223 5.799 5.946 1.00 0.00 H new ATOM 0 HE2 PHE A 109 100.901 7.553 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.385 6.447 4.413 1.00 0.00 H new ATOM 1740 N LYS A 110 107.843 9.425 3.182 1.00 0.00 N ATOM 1741 CA LYS A 110 109.160 9.880 2.646 1.00 0.00 C ATOM 1742 C LYS A 110 110.201 10.076 3.753 1.00 0.00 C ATOM 1743 O LYS A 110 111.318 9.609 3.640 1.00 0.00 O ATOM 1744 CB LYS A 110 108.857 11.214 1.966 1.00 0.00 C ATOM 1745 CG LYS A 110 110.120 11.752 1.300 1.00 0.00 C ATOM 1746 CD LYS A 110 109.826 13.121 0.687 1.00 0.00 C ATOM 1747 CE LYS A 110 111.082 13.632 -0.019 1.00 0.00 C ATOM 1748 NZ LYS A 110 112.115 13.700 1.052 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.067 10.069 3.030 1.00 0.00 H new ATOM 0 HA LYS A 110 109.586 9.140 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.070 11.084 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.488 11.931 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 110 110.924 11.834 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.460 11.061 0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.000 13.047 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.519 13.822 1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 110 111.387 12.960 -0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 110 110.913 14.610 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 112.750 14.503 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 111.651 13.826 1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 112.666 12.818 1.060 1.00 0.00 H new ATOM 1762 N GLN A 111 109.866 10.773 4.804 1.00 0.00 N ATOM 1763 CA GLN A 111 110.875 10.999 5.879 1.00 0.00 C ATOM 1764 C GLN A 111 111.253 9.668 6.532 1.00 0.00 C ATOM 1765 O GLN A 111 112.397 9.436 6.864 1.00 0.00 O ATOM 1766 CB GLN A 111 110.216 11.944 6.882 1.00 0.00 C ATOM 1767 CG GLN A 111 111.230 12.319 7.962 1.00 0.00 C ATOM 1768 CD GLN A 111 110.546 13.165 9.035 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.466 13.682 8.822 1.00 0.00 O ATOM 1770 NE2 GLN A 111 111.132 13.327 10.188 1.00 0.00 N ATOM 0 H GLN A 111 108.950 11.191 4.965 1.00 0.00 H new ATOM 0 HA GLN A 111 111.797 11.431 5.490 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.859 12.840 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 111 109.347 11.466 7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.651 11.418 8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 111 112.058 12.873 7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 111 112.038 12.893 10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 111 110.685 13.888 10.913 1.00 0.00 H new ATOM 1779 N GLY A 112 110.305 8.788 6.723 1.00 0.00 N ATOM 1780 CA GLY A 112 110.630 7.478 7.356 1.00 0.00 C ATOM 1781 C GLY A 112 111.579 6.704 6.452 1.00 0.00 C ATOM 1782 O GLY A 112 112.546 6.118 6.901 1.00 0.00 O ATOM 0 H GLY A 112 109.326 8.919 6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.088 7.637 8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.718 6.905 7.521 1.00 0.00 H new ATOM 1786 N LEU A 113 111.310 6.690 5.178 1.00 0.00 N ATOM 1787 CA LEU A 113 112.200 5.950 4.245 1.00 0.00 C ATOM 1788 C LEU A 113 113.571 6.618 4.181 1.00 0.00 C ATOM 1789 O LEU A 113 114.594 5.969 4.221 1.00 0.00 O ATOM 1790 CB LEU A 113 111.506 6.042 2.889 1.00 0.00 C ATOM 1791 CG LEU A 113 110.235 5.192 2.892 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.400 5.547 1.664 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.612 3.709 2.837 1.00 0.00 C ATOM 0 H LEU A 113 110.514 7.158 4.744 1.00 0.00 H new ATOM 0 HA LEU A 113 112.361 4.919 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.258 7.080 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.180 5.701 2.103 1.00 0.00 H new ATOM 0 HG LEU A 113 109.663 5.386 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.491 4.946 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.136 6.604 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 113 109.976 5.345 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.706 3.103 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.179 3.511 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.220 3.456 3.705 1.00 0.00 H new ATOM 1805 N VAL A 114 113.594 7.918 4.074 1.00 0.00 N ATOM 1806 CA VAL A 114 114.898 8.633 3.995 1.00 0.00 C ATOM 1807 C VAL A 114 115.673 8.493 5.311 1.00 0.00 C ATOM 1808 O VAL A 114 116.847 8.179 5.311 1.00 0.00 O ATOM 1809 CB VAL A 114 114.527 10.089 3.707 1.00 0.00 C ATOM 1810 CG1 VAL A 114 115.778 10.974 3.774 1.00 0.00 C ATOM 1811 CG2 VAL A 114 113.921 10.173 2.303 1.00 0.00 C ATOM 0 H VAL A 114 112.768 8.515 4.038 1.00 0.00 H new ATOM 0 HA VAL A 114 115.552 8.227 3.223 1.00 0.00 H new ATOM 0 HB VAL A 114 113.809 10.436 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.503 12.008 3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.218 10.907 4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.503 10.636 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.652 11.206 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.650 9.825 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.030 9.547 2.253 1.00 0.00 H new ATOM 1821 N ASP A 115 115.033 8.710 6.432 1.00 0.00 N ATOM 1822 CA ASP A 115 115.764 8.570 7.724 1.00 0.00 C ATOM 1823 C ASP A 115 116.224 7.119 7.889 1.00 0.00 C ATOM 1824 O ASP A 115 117.313 6.858 8.358 1.00 0.00 O ATOM 1825 CB ASP A 115 114.764 8.956 8.822 1.00 0.00 C ATOM 1826 CG ASP A 115 114.762 10.474 9.029 1.00 0.00 C ATOM 1827 OD1 ASP A 115 115.678 11.121 8.550 1.00 0.00 O ATOM 1828 OD2 ASP A 115 113.846 10.960 9.672 1.00 0.00 O1- ATOM 0 H ASP A 115 114.051 8.974 6.507 1.00 0.00 H new ATOM 0 HA ASP A 115 116.650 9.204 7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 115 113.765 8.618 8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.026 8.455 9.754 1.00 0.00 H new ATOM 1833 N GLY A 116 115.412 6.171 7.503 1.00 0.00 N ATOM 1834 CA GLY A 116 115.824 4.745 7.642 1.00 0.00 C ATOM 1835 C GLY A 116 117.060 4.478 6.776 1.00 0.00 C ATOM 1836 O GLY A 116 117.984 3.806 7.190 1.00 0.00 O ATOM 0 H GLY A 116 114.487 6.321 7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.044 4.520 8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.007 4.089 7.340 1.00 0.00 H new ATOM 1840 N ILE A 117 117.084 4.998 5.577 1.00 0.00 N ATOM 1841 CA ILE A 117 118.263 4.769 4.687 1.00 0.00 C ATOM 1842 C ILE A 117 119.521 5.436 5.268 1.00 0.00 C ATOM 1843 O ILE A 117 120.588 4.854 5.271 1.00 0.00 O ATOM 1844 CB ILE A 117 117.884 5.413 3.342 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.746 4.622 2.696 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.090 5.407 2.390 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.196 5.414 1.510 1.00 0.00 C ATOM 0 H ILE A 117 116.341 5.570 5.175 1.00 0.00 H new ATOM 0 HA ILE A 117 118.492 3.708 4.583 1.00 0.00 H new ATOM 0 HB ILE A 117 117.570 6.441 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.106 3.649 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 117 115.956 4.438 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 117 118.808 5.866 1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 117 119.909 5.971 2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.410 4.380 2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.384 4.855 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.822 6.377 1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 117 116.990 5.575 0.781 1.00 0.00 H new ATOM 1859 N GLU A 118 119.415 6.650 5.743 1.00 0.00 N ATOM 1860 CA GLU A 118 120.629 7.329 6.287 1.00 0.00 C ATOM 1861 C GLU A 118 121.217 6.500 7.427 1.00 0.00 C ATOM 1862 O GLU A 118 122.400 6.226 7.467 1.00 0.00 O ATOM 1863 CB GLU A 118 120.157 8.693 6.792 1.00 0.00 C ATOM 1864 CG GLU A 118 121.372 9.510 7.235 1.00 0.00 C ATOM 1865 CD GLU A 118 120.938 10.927 7.633 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.744 11.166 7.715 1.00 0.00 O1- ATOM 1867 OE2 GLU A 118 121.813 11.752 7.842 1.00 0.00 O ATOM 0 H GLU A 118 118.553 7.194 5.778 1.00 0.00 H new ATOM 0 HA GLU A 118 121.408 7.441 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.617 9.219 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.465 8.567 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.861 9.021 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.102 9.558 6.427 1.00 0.00 H new ATOM 1874 N LYS A 119 120.395 6.087 8.345 1.00 0.00 N ATOM 1875 CA LYS A 119 120.903 5.262 9.471 1.00 0.00 C ATOM 1876 C LYS A 119 121.453 3.952 8.914 1.00 0.00 C ATOM 1877 O LYS A 119 122.487 3.470 9.334 1.00 0.00 O ATOM 1878 CB LYS A 119 119.694 5.028 10.375 1.00 0.00 C ATOM 1879 CG LYS A 119 119.289 6.364 10.986 1.00 0.00 C ATOM 1880 CD LYS A 119 118.051 6.188 11.861 1.00 0.00 C ATOM 1881 CE LYS A 119 117.659 7.552 12.431 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.427 7.305 13.225 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.394 6.284 8.365 1.00 0.00 H new ATOM 0 HA LYS A 119 121.711 5.739 10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.868 4.606 9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.939 4.311 11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.110 6.764 11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 119 119.086 7.087 10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.230 5.772 11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.255 5.485 12.669 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.454 7.961 13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.476 8.273 11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.101 8.198 13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.685 6.923 12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.632 6.621 13.981 1.00 0.00 H new ATOM 1896 N ALA A 120 120.781 3.386 7.954 1.00 0.00 N ATOM 1897 CA ALA A 120 121.267 2.120 7.334 1.00 0.00 C ATOM 1898 C ALA A 120 122.639 2.329 6.688 1.00 0.00 C ATOM 1899 O ALA A 120 123.534 1.519 6.829 1.00 0.00 O ATOM 1900 CB ALA A 120 120.228 1.789 6.267 1.00 0.00 C ATOM 0 H ALA A 120 119.909 3.747 7.568 1.00 0.00 H new ATOM 0 HA ALA A 120 121.382 1.322 8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.509 0.867 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.252 1.662 6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.179 2.602 5.542 1.00 0.00 H new ATOM 1906 N GLY A 121 122.809 3.405 5.971 1.00 0.00 N ATOM 1907 CA GLY A 121 124.120 3.654 5.310 1.00 0.00 C ATOM 1908 C GLY A 121 125.200 3.830 6.372 1.00 0.00 C ATOM 1909 O GLY A 121 126.293 3.312 6.249 1.00 0.00 O ATOM 0 H GLY A 121 122.099 4.121 5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.373 2.821 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.061 4.545 4.685 1.00 0.00 H new ATOM 1913 N MET A 122 124.908 4.553 7.419 1.00 0.00 N ATOM 1914 CA MET A 122 125.928 4.750 8.488 1.00 0.00 C ATOM 1915 C MET A 122 126.240 3.418 9.175 1.00 0.00 C ATOM 1916 O MET A 122 127.388 3.040 9.349 1.00 0.00 O ATOM 1917 CB MET A 122 125.265 5.706 9.479 1.00 0.00 C ATOM 1918 CG MET A 122 125.117 7.090 8.849 1.00 0.00 C ATOM 1919 SD MET A 122 124.182 8.157 9.972 1.00 0.00 S ATOM 1920 CE MET A 122 125.428 8.241 11.280 1.00 0.00 C ATOM 0 H MET A 122 124.012 5.014 7.580 1.00 0.00 H new ATOM 0 HA MET A 122 126.869 5.138 8.097 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.287 5.322 9.768 1.00 0.00 H new ATOM 0 HB3 MET A 122 125.863 5.773 10.388 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.099 7.520 8.652 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.605 7.013 7.890 1.00 0.00 H new ATOM 0 HE1 MET A 122 125.347 9.196 11.799 1.00 0.00 H new ATOM 0 HE2 MET A 122 125.267 7.428 11.988 1.00 0.00 H new ATOM 0 HE3 MET A 122 126.422 8.149 10.842 1.00 0.00 H new ATOM 1930 N ALA A 123 125.223 2.699 9.557 1.00 0.00 N ATOM 1931 CA ALA A 123 125.456 1.394 10.232 1.00 0.00 C ATOM 1932 C ALA A 123 126.185 0.448 9.278 1.00 0.00 C ATOM 1933 O ALA A 123 127.143 -0.202 9.645 1.00 0.00 O ATOM 1934 CB ALA A 123 124.065 0.864 10.591 1.00 0.00 C ATOM 0 H ALA A 123 124.244 2.957 9.432 1.00 0.00 H new ATOM 0 HA ALA A 123 126.077 1.487 11.123 1.00 0.00 H new ATOM 0 HB1 ALA A 123 124.161 -0.099 11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.566 1.571 11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.476 0.742 9.682 1.00 0.00 H new ATOM 1940 N LEU A 124 125.758 0.391 8.047 1.00 0.00 N ATOM 1941 CA LEU A 124 126.446 -0.491 7.063 1.00 0.00 C ATOM 1942 C LEU A 124 127.879 -0.011 6.875 1.00 0.00 C ATOM 1943 O LEU A 124 128.795 -0.800 6.747 1.00 0.00 O ATOM 1944 CB LEU A 124 125.657 -0.353 5.764 1.00 0.00 C ATOM 1945 CG LEU A 124 124.286 -1.005 5.930 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.403 -0.635 4.737 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.444 -2.527 5.991 1.00 0.00 C ATOM 0 H LEU A 124 124.964 0.916 7.680 1.00 0.00 H new ATOM 0 HA LEU A 124 126.485 -1.530 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.542 0.700 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.199 -0.825 4.945 1.00 0.00 H new ATOM 0 HG LEU A 124 123.826 -0.652 6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.423 -1.099 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.289 0.448 4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.867 -0.990 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.464 -2.990 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.904 -2.882 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 124 125.076 -2.794 6.838 1.00 0.00 H new ATOM 1959 N ALA A 125 128.089 1.278 6.836 1.00 0.00 N ATOM 1960 CA ALA A 125 129.471 1.798 6.635 1.00 0.00 C ATOM 1961 C ALA A 125 130.416 1.192 7.670 1.00 0.00 C ATOM 1962 O ALA A 125 131.568 0.925 7.391 1.00 0.00 O ATOM 1963 CB ALA A 125 129.368 3.310 6.823 1.00 0.00 C ATOM 0 H ALA A 125 127.366 1.990 6.934 1.00 0.00 H new ATOM 0 HA ALA A 125 129.866 1.541 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.351 3.761 6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.677 3.722 6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 125 129.003 3.528 7.827 1.00 0.00 H new ATOM 1969 N LYS A 126 129.936 0.956 8.862 1.00 0.00 N ATOM 1970 CA LYS A 126 130.817 0.348 9.899 1.00 0.00 C ATOM 1971 C LYS A 126 131.270 -1.037 9.430 1.00 0.00 C ATOM 1972 O LYS A 126 132.427 -1.395 9.523 1.00 0.00 O ATOM 1973 CB LYS A 126 129.945 0.243 11.153 1.00 0.00 C ATOM 1974 CG LYS A 126 130.805 -0.262 12.312 1.00 0.00 C ATOM 1975 CD LYS A 126 129.991 -0.279 13.606 1.00 0.00 C ATOM 1976 CE LYS A 126 130.888 -0.769 14.750 1.00 0.00 C ATOM 1977 NZ LYS A 126 130.036 -0.751 15.977 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.981 1.156 9.160 1.00 0.00 H new ATOM 0 HA LYS A 126 131.715 0.935 10.089 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.517 1.215 11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 126 129.112 -0.437 10.977 1.00 0.00 H new ATOM 0 HG2 LYS A 126 131.172 -1.264 12.092 1.00 0.00 H new ATOM 0 HG3 LYS A 126 131.679 0.379 12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 126 129.611 0.719 13.826 1.00 0.00 H new ATOM 0 HD3 LYS A 126 129.126 -0.933 13.499 1.00 0.00 H new ATOM 0 HE2 LYS A 126 131.263 -1.773 14.550 1.00 0.00 H new ATOM 0 HE3 LYS A 126 131.757 -0.122 14.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 130.594 -1.076 16.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 129.699 0.217 16.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 129.220 -1.382 15.843 1.00 0.00 H new ATOM 1991 N TYR A 127 130.359 -1.799 8.893 1.00 0.00 N ATOM 1992 CA TYR A 127 130.713 -3.150 8.373 1.00 0.00 C ATOM 1993 C TYR A 127 131.548 -3.001 7.105 1.00 0.00 C ATOM 1994 O TYR A 127 132.457 -3.764 6.843 1.00 0.00 O ATOM 1995 CB TYR A 127 129.380 -3.818 8.052 1.00 0.00 C ATOM 1996 CG TYR A 127 128.701 -4.239 9.328 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.857 -3.348 10.002 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.910 -5.526 9.837 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.223 -3.744 11.184 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.277 -5.923 11.019 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.432 -5.032 11.693 1.00 0.00 C ATOM 2002 OH TYR A 127 126.805 -5.425 12.856 1.00 0.00 O ATOM 0 H TYR A 127 129.377 -1.542 8.791 1.00 0.00 H new ATOM 0 HA TYR A 127 131.294 -3.734 9.087 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.741 -3.129 7.499 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.542 -4.685 7.412 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.696 -2.355 9.609 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.561 -6.213 9.316 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.572 -3.057 11.704 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.439 -6.916 11.412 1.00 0.00 H new ATOM 0 HH TYR A 127 127.058 -6.348 13.068 1.00 0.00 H new ATOM 2012 N PHE A 128 131.216 -2.026 6.306 1.00 0.00 N ATOM 2013 CA PHE A 128 131.956 -1.814 5.033 1.00 0.00 C ATOM 2014 C PHE A 128 132.329 -0.334 4.878 1.00 0.00 C ATOM 2015 O PHE A 128 131.520 0.465 4.452 1.00 0.00 O ATOM 2016 CB PHE A 128 130.990 -2.260 3.938 1.00 0.00 C ATOM 2017 CG PHE A 128 130.583 -3.693 4.188 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.407 -4.742 3.766 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.384 -3.968 4.855 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.029 -6.069 4.009 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.005 -5.293 5.098 1.00 0.00 C ATOM 2022 CZ PHE A 128 129.828 -6.343 4.676 1.00 0.00 C ATOM 0 H PHE A 128 130.460 -1.364 6.482 1.00 0.00 H new ATOM 0 HA PHE A 128 132.891 -2.373 4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 128 130.111 -1.616 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.463 -2.169 2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.333 -4.529 3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.751 -3.157 5.183 1.00 0.00 H new ATOM 0 HE1 PHE A 128 131.663 -6.880 3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.078 -5.505 5.611 1.00 0.00 H new ATOM 0 HZ PHE A 128 129.537 -7.366 4.865 1.00 0.00 H new ATOM 2032 N PRO A 129 133.562 -0.014 5.224 1.00 0.00 N ATOM 2033 CA PRO A 129 134.038 1.384 5.106 1.00 0.00 C ATOM 2034 C PRO A 129 134.136 1.772 3.632 1.00 0.00 C ATOM 2035 O PRO A 129 134.350 0.942 2.773 1.00 0.00 O ATOM 2036 CB PRO A 129 135.419 1.353 5.767 1.00 0.00 C ATOM 2037 CG PRO A 129 135.866 -0.066 5.653 1.00 0.00 C ATOM 2038 CD PRO A 129 134.623 -0.904 5.739 1.00 0.00 C ATOM 0 HA PRO A 129 133.376 2.113 5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 129 136.113 2.028 5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.366 1.668 6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.386 -0.236 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.563 -0.320 6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.710 -1.811 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.421 -1.216 6.764 1.00 0.00 H new ATOM 2046 N TRP A 130 133.963 3.025 3.335 1.00 0.00 N ATOM 2047 CA TRP A 130 134.029 3.466 1.916 1.00 0.00 C ATOM 2048 C TRP A 130 135.471 3.523 1.434 1.00 0.00 C ATOM 2049 O TRP A 130 136.308 4.177 2.026 1.00 0.00 O ATOM 2050 CB TRP A 130 133.434 4.865 1.905 1.00 0.00 C ATOM 2051 CG TRP A 130 133.316 5.325 0.493 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.394 4.892 -0.398 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.133 6.303 -0.201 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.592 5.555 -1.598 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.657 6.435 -1.525 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.230 7.083 0.196 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.255 7.313 -2.429 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.835 7.966 -0.708 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.349 8.082 -2.018 1.00 0.00 C ATOM 0 H TRP A 130 133.779 3.765 4.013 1.00 0.00 H new ATOM 0 HA TRP A 130 133.496 2.778 1.260 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.455 4.863 2.384 1.00 0.00 H new ATOM 0 HB3 TRP A 130 134.065 5.548 2.473 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.631 4.153 -0.205 1.00 0.00 H new ATOM 0 HE1 TRP A 130 132.023 5.412 -2.432 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.610 7.002 1.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.877 7.398 -3.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.680 8.560 -0.394 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.819 8.765 -2.710 1.00 0.00 H new ATOM 2070 N LYS A 131 135.760 2.884 0.339 1.00 0.00 N ATOM 2071 CA LYS A 131 137.139 2.950 -0.199 1.00 0.00 C ATOM 2072 C LYS A 131 137.141 3.876 -1.413 1.00 0.00 C ATOM 2073 O LYS A 131 136.164 3.980 -2.126 1.00 0.00 O ATOM 2074 CB LYS A 131 137.520 1.524 -0.593 1.00 0.00 C ATOM 2075 CG LYS A 131 137.528 0.631 0.646 1.00 0.00 C ATOM 2076 CD LYS A 131 137.938 -0.785 0.243 1.00 0.00 C ATOM 2077 CE LYS A 131 137.969 -1.684 1.480 1.00 0.00 C ATOM 2078 NZ LYS A 131 138.372 -3.022 0.967 1.00 0.00 N1+ ATOM 0 H LYS A 131 135.104 2.322 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 131 137.853 3.340 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.812 1.138 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.503 1.517 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.221 1.026 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.540 0.619 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 131 137.236 -1.183 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.919 -0.769 -0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.678 -1.314 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.994 -1.724 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 138.417 -3.698 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 137.675 -3.351 0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 139.307 -2.954 0.517 1.00 0.00 H new ATOM 2092 N LYS A 132 138.209 4.582 -1.628 1.00 0.00 N ATOM 2093 CA LYS A 132 138.250 5.542 -2.764 1.00 0.00 C ATOM 2094 C LYS A 132 137.953 4.841 -4.086 1.00 0.00 C ATOM 2095 O LYS A 132 137.415 5.441 -4.999 1.00 0.00 O ATOM 2096 CB LYS A 132 139.665 6.108 -2.747 1.00 0.00 C ATOM 2097 CG LYS A 132 139.857 6.928 -1.470 1.00 0.00 C ATOM 2098 CD LYS A 132 141.282 7.476 -1.424 1.00 0.00 C ATOM 2099 CE LYS A 132 141.479 8.274 -0.135 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.904 8.704 -0.166 1.00 0.00 N1+ ATOM 0 H LYS A 132 139.059 4.538 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 132 137.497 6.324 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.395 5.299 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.831 6.733 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.140 7.748 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.667 6.307 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 132 142.000 6.657 -1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.467 8.112 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.808 9.132 -0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.269 7.664 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 143.118 9.259 0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.519 7.866 -0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.072 9.288 -1.010 1.00 0.00 H new ATOM 2114 N ASP A 133 138.289 3.586 -4.205 1.00 0.00 N ATOM 2115 CA ASP A 133 138.005 2.882 -5.484 1.00 0.00 C ATOM 2116 C ASP A 133 136.621 2.210 -5.451 1.00 0.00 C ATOM 2117 O ASP A 133 136.276 1.447 -6.335 1.00 0.00 O ATOM 2118 CB ASP A 133 139.130 1.863 -5.656 1.00 0.00 C ATOM 2119 CG ASP A 133 140.457 2.597 -5.863 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.417 3.759 -6.233 1.00 0.00 O1- ATOM 2121 OD2 ASP A 133 141.491 1.985 -5.650 1.00 0.00 O ATOM 0 H ASP A 133 138.741 3.025 -3.483 1.00 0.00 H new ATOM 0 HA ASP A 133 137.974 3.573 -6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 133 139.191 1.221 -4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.923 1.217 -6.509 1.00 0.00 H new ATOM 2126 N ASP A 134 135.823 2.481 -4.428 1.00 0.00 N ATOM 2127 CA ASP A 134 134.453 1.871 -4.313 1.00 0.00 C ATOM 2128 C ASP A 134 133.728 1.885 -5.657 1.00 0.00 C ATOM 2129 O ASP A 134 133.834 2.826 -6.428 1.00 0.00 O ATOM 2130 CB ASP A 134 133.712 2.779 -3.334 1.00 0.00 C ATOM 2131 CG ASP A 134 132.322 2.201 -3.028 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.965 1.192 -3.620 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.638 2.777 -2.197 1.00 0.00 O ATOM 0 H ASP A 134 136.071 3.107 -3.662 1.00 0.00 H new ATOM 0 HA ASP A 134 134.504 0.832 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.285 2.877 -2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.614 3.779 -3.756 1.00 0.00 H new ATOM 2138 N ILE A 135 133.053 0.819 -5.974 1.00 0.00 N ATOM 2139 CA ILE A 135 132.371 0.735 -7.310 1.00 0.00 C ATOM 2140 C ILE A 135 130.835 0.778 -7.164 1.00 0.00 C ATOM 2141 O ILE A 135 130.248 0.109 -6.337 1.00 0.00 O ATOM 2142 CB ILE A 135 132.869 -0.600 -7.998 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.032 -1.837 -7.551 1.00 0.00 C ATOM 2144 CG2 ILE A 135 134.357 -0.863 -7.702 1.00 0.00 C ATOM 2145 CD1 ILE A 135 132.196 -2.101 -6.047 1.00 0.00 C ATOM 0 H ILE A 135 132.939 0.001 -5.375 1.00 0.00 H new ATOM 0 HA ILE A 135 132.627 1.594 -7.930 1.00 0.00 H new ATOM 0 HB ILE A 135 132.734 -0.459 -9.070 1.00 0.00 H new ATOM 0 HG12 ILE A 135 130.980 -1.671 -7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 135 132.347 -2.716 -8.114 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.667 -1.787 -8.189 1.00 0.00 H new ATOM 0 HG22 ILE A 135 134.955 -0.035 -8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.503 -0.953 -6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.601 -2.969 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 135 133.246 -2.291 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 135 131.858 -1.230 -5.486 1.00 0.00 H new ATOM 2157 N ASP A 136 130.193 1.568 -7.981 1.00 0.00 N ATOM 2158 CA ASP A 136 128.711 1.672 -7.928 1.00 0.00 C ATOM 2159 C ASP A 136 128.090 1.187 -9.241 1.00 0.00 C ATOM 2160 O ASP A 136 128.112 1.895 -10.230 1.00 0.00 O ATOM 2161 CB ASP A 136 128.441 3.163 -7.722 1.00 0.00 C ATOM 2162 CG ASP A 136 129.065 3.996 -8.858 1.00 0.00 C ATOM 2163 OD1 ASP A 136 129.859 3.456 -9.616 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 128.742 5.171 -8.942 1.00 0.00 O ATOM 0 H ASP A 136 130.639 2.151 -8.689 1.00 0.00 H new ATOM 0 HA ASP A 136 128.279 1.059 -7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 136 127.366 3.340 -7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 136 128.851 3.482 -6.764 1.00 0.00 H new ATOM 2169 N GLU A 137 127.548 -0.007 -9.283 1.00 0.00 N ATOM 2170 CA GLU A 137 126.957 -0.489 -10.567 1.00 0.00 C ATOM 2171 C GLU A 137 125.431 -0.386 -10.562 1.00 0.00 C ATOM 2172 O GLU A 137 124.790 -0.540 -11.585 1.00 0.00 O ATOM 2173 CB GLU A 137 127.422 -1.937 -10.713 1.00 0.00 C ATOM 2174 CG GLU A 137 126.760 -2.818 -9.652 1.00 0.00 C ATOM 2175 CD GLU A 137 127.205 -4.263 -9.862 1.00 0.00 C ATOM 2176 OE1 GLU A 137 128.400 -4.484 -9.956 1.00 0.00 O1- ATOM 2177 OE2 GLU A 137 126.343 -5.121 -9.931 1.00 0.00 O ATOM 0 H GLU A 137 127.490 -0.656 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 137 127.283 0.122 -11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 137 127.175 -2.307 -11.708 1.00 0.00 H new ATOM 0 HB3 GLU A 137 128.506 -1.989 -10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 137 127.038 -2.479 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 137 125.675 -2.743 -9.724 1.00 0.00 H new ATOM 2184 N LEU A 138 124.836 -0.146 -9.427 1.00 0.00 N ATOM 2185 CA LEU A 138 123.351 -0.054 -9.385 1.00 0.00 C ATOM 2186 C LEU A 138 122.893 1.403 -9.549 1.00 0.00 C ATOM 2187 O LEU A 138 123.496 2.302 -9.002 1.00 0.00 O ATOM 2188 CB LEU A 138 122.954 -0.581 -8.007 1.00 0.00 C ATOM 2189 CG LEU A 138 122.286 -1.950 -8.150 1.00 0.00 C ATOM 2190 CD1 LEU A 138 123.223 -3.025 -7.606 1.00 0.00 C ATOM 2191 CD2 LEU A 138 120.977 -1.967 -7.354 1.00 0.00 C ATOM 0 H LEU A 138 125.309 -0.011 -8.534 1.00 0.00 H new ATOM 0 HA LEU A 138 122.889 -0.624 -10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.835 -0.660 -7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 138 122.272 0.118 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 138 122.073 -2.144 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 138 122.752 -4.003 -7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 138 124.156 -3.013 -8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 138 123.431 -2.828 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 138 120.502 -2.943 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 138 121.188 -1.775 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 138 120.308 -1.196 -7.737 1.00 0.00 H new ATOM 2203 N PRO A 139 121.818 1.595 -10.284 1.00 0.00 N ATOM 2204 CA PRO A 139 121.281 2.962 -10.485 1.00 0.00 C ATOM 2205 C PRO A 139 120.656 3.452 -9.177 1.00 0.00 C ATOM 2206 O PRO A 139 120.511 2.686 -8.244 1.00 0.00 O ATOM 2207 CB PRO A 139 120.210 2.775 -11.558 1.00 0.00 C ATOM 2208 CG PRO A 139 119.792 1.348 -11.432 1.00 0.00 C ATOM 2209 CD PRO A 139 121.006 0.587 -10.987 1.00 0.00 C ATOM 0 HA PRO A 139 122.035 3.693 -10.776 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.369 3.449 -11.399 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.604 2.986 -12.552 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.982 1.243 -10.710 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.422 0.966 -12.384 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.740 -0.241 -10.330 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.543 0.161 -11.834 1.00 0.00 H new ATOM 2217 N ASN A 140 120.264 4.695 -9.087 1.00 0.00 N ATOM 2218 CA ASN A 140 119.629 5.173 -7.824 1.00 0.00 C ATOM 2219 C ASN A 140 118.141 5.497 -8.054 1.00 0.00 C ATOM 2220 O ASN A 140 117.480 6.033 -7.189 1.00 0.00 O ATOM 2221 CB ASN A 140 120.412 6.430 -7.439 1.00 0.00 C ATOM 2222 CG ASN A 140 121.822 6.026 -7.002 1.00 0.00 C ATOM 2223 OD1 ASN A 140 122.014 5.553 -5.899 1.00 0.00 O ATOM 2224 ND2 ASN A 140 122.822 6.185 -7.828 1.00 0.00 N ATOM 0 H ASN A 140 120.354 5.394 -9.825 1.00 0.00 H new ATOM 0 HA ASN A 140 119.660 4.420 -7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.462 7.116 -8.285 1.00 0.00 H new ATOM 0 HB3 ASN A 140 119.904 6.957 -6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 140 123.764 5.912 -7.547 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.661 6.582 -8.754 1.00 0.00 H new ATOM 2231 N THR A 141 117.610 5.188 -9.218 1.00 0.00 N ATOM 2232 CA THR A 141 116.177 5.491 -9.501 1.00 0.00 C ATOM 2233 C THR A 141 115.246 4.697 -8.577 1.00 0.00 C ATOM 2234 O THR A 141 115.542 3.590 -8.170 1.00 0.00 O ATOM 2235 CB THR A 141 115.974 5.074 -10.962 1.00 0.00 C ATOM 2236 OG1 THR A 141 114.654 5.407 -11.364 1.00 0.00 O ATOM 2237 CG2 THR A 141 116.187 3.565 -11.113 1.00 0.00 C ATOM 0 H THR A 141 118.114 4.738 -9.982 1.00 0.00 H new ATOM 0 HA THR A 141 115.943 6.542 -9.331 1.00 0.00 H new ATOM 0 HB THR A 141 116.696 5.599 -11.588 1.00 0.00 H new ATOM 0 HG1 THR A 141 114.520 5.144 -12.298 1.00 0.00 H new ATOM 0 HG21 THR A 141 116.040 3.279 -12.155 1.00 0.00 H new ATOM 0 HG22 THR A 141 117.201 3.308 -10.805 1.00 0.00 H new ATOM 0 HG23 THR A 141 115.472 3.032 -10.487 1.00 0.00 H new ATOM 2245 N ILE A 142 114.119 5.269 -8.245 1.00 0.00 N ATOM 2246 CA ILE A 142 113.149 4.576 -7.347 1.00 0.00 C ATOM 2247 C ILE A 142 112.395 3.485 -8.117 1.00 0.00 C ATOM 2248 O ILE A 142 111.998 3.675 -9.250 1.00 0.00 O ATOM 2249 CB ILE A 142 112.178 5.661 -6.888 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.935 6.740 -6.110 1.00 0.00 C ATOM 2251 CG2 ILE A 142 111.119 5.037 -5.977 1.00 0.00 C ATOM 2252 CD1 ILE A 142 112.002 7.924 -5.856 1.00 0.00 C ATOM 0 H ILE A 142 113.827 6.194 -8.560 1.00 0.00 H new ATOM 0 HA ILE A 142 113.648 4.092 -6.508 1.00 0.00 H new ATOM 0 HB ILE A 142 111.702 6.110 -7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.297 6.337 -5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.810 7.065 -6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.423 5.808 -5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.575 4.268 -6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.604 4.590 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.536 8.696 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.662 8.330 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 142 111.141 7.591 -5.276 1.00 0.00 H new ATOM 2264 N SER A 143 112.176 2.356 -7.507 1.00 0.00 N ATOM 2265 CA SER A 143 111.426 1.267 -8.200 1.00 0.00 C ATOM 2266 C SER A 143 109.939 1.339 -7.846 1.00 0.00 C ATOM 2267 O SER A 143 109.569 1.528 -6.704 1.00 0.00 O ATOM 2268 CB SER A 143 112.038 -0.031 -7.685 1.00 0.00 C ATOM 2269 OG SER A 143 113.289 -0.232 -8.320 1.00 0.00 O ATOM 0 H SER A 143 112.482 2.137 -6.559 1.00 0.00 H new ATOM 0 HA SER A 143 111.497 1.346 -9.285 1.00 0.00 H new ATOM 0 HB2 SER A 143 112.167 0.016 -6.604 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.372 -0.869 -7.890 1.00 0.00 H new ATOM 0 HG SER A 143 113.644 0.630 -8.623 1.00 0.00 H new ATOM 2275 N LYS A 144 109.083 1.192 -8.820 1.00 0.00 N ATOM 2276 CA LYS A 144 107.622 1.256 -8.540 1.00 0.00 C ATOM 2277 C LYS A 144 106.905 0.038 -9.129 1.00 0.00 C ATOM 2278 O LYS A 144 107.218 -0.417 -10.212 1.00 0.00 O ATOM 2279 CB LYS A 144 107.152 2.537 -9.226 1.00 0.00 C ATOM 2280 CG LYS A 144 107.749 3.750 -8.510 1.00 0.00 C ATOM 2281 CD LYS A 144 107.300 5.025 -9.225 1.00 0.00 C ATOM 2282 CE LYS A 144 107.880 6.251 -8.514 1.00 0.00 C ATOM 2283 NZ LYS A 144 107.369 7.425 -9.283 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.332 1.031 -9.796 1.00 0.00 H new ATOM 0 HA LYS A 144 107.407 1.256 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.456 2.534 -10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 144 106.063 2.592 -9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.426 3.769 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 144 108.837 3.685 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 144 107.630 5.006 -10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 144 106.212 5.082 -9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 144 107.559 6.292 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 144 108.970 6.226 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 107.725 8.303 -8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 107.696 7.364 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 106.329 7.427 -9.263 1.00 0.00 H new ATOM 2297 N GLY A 145 105.942 -0.492 -8.424 1.00 0.00 N ATOM 2298 CA GLY A 145 105.204 -1.678 -8.940 1.00 0.00 C ATOM 2299 C GLY A 145 103.776 -1.268 -9.308 1.00 0.00 C ATOM 2300 O GLY A 145 102.857 -1.785 -8.697 1.00 0.00 O ATOM 2301 OXT GLY A 145 103.628 -0.441 -10.193 1.00 0.00 O ATOM 0 H GLY A 145 105.635 -0.154 -7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.714 -2.085 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 145 105.185 -2.465 -8.186 1.00 0.00 H new