USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1072 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 GLN : amide:sc= -0.624 K(o=-6.3,f=-8.1!) USER MOD Set 1.2: A 106 GLN : amide:sc= 0 K(o=-6.3,f=-7.7!) USER MOD Set 1.3: A 108 ASN : amide:sc= -2.88! C(o=-6.3!,f=-7.7!) USER MOD Set 1.4: A 111 GLN : amide:sc= -2.83! C(o=-6.3!,f=-6.4!) USER MOD Set 2.1: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 96 THR OG1 : rot -170:sc= 0.066 USER MOD Set 3.1: A 39 SER OG : rot 150:sc= -1.4 USER MOD Set 3.2: A 68 TYR OH : rot -6:sc= 1.31 USER MOD Set 4.1: A 34 HIS : no HD1:sc= 0.18 K(o=1.4,f=-5.2!) USER MOD Set 4.2: A 143 SER OG : rot -99:sc= 1.23 USER MOD Single : A 9 THR OG1 : rot -34:sc= 0.0741 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= -0.296 X(o=-0.3,f=-0.49) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.226 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 154:sc= -0.143 (180deg=-0.994) USER MOD Single : A 52 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.036) USER MOD Single : A 53 ASN : amide:sc= -2.04! C(o=-2!,f=-4.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 162:sc= -5.27! (180deg=-7.05!) USER MOD Single : A 58 ASN : amide:sc= -1.91 K(o=-1.9,f=-4.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.852 USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= -0.0656 (180deg=-1.06) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 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= -0.8 K(o=-0.8,f=-3.1!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0274 USER MOD Single : A 98 ASN : amide:sc= -0.0425 K(o=-0.042,f=-2!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -138:sc= -1.6 (180deg=-1.95!) USER MOD Single : A 119 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0157) USER MOD Single : A 122 MET CE :methyl 154:sc= -0.138 (180deg=-1.13) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -9.09! C(o=-9.1!,f=-19!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.00783 USER MOD Single : A 144 LYS NZ :NH3+ 158:sc= 0.438 (180deg=0.236) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.810 13.650 -4.994 1.00 0.00 N ATOM 142 CA THR A 9 105.992 14.574 -6.150 1.00 0.00 C ATOM 143 C THR A 9 107.443 14.497 -6.637 1.00 0.00 C ATOM 144 O THR A 9 108.294 13.929 -5.980 1.00 0.00 O ATOM 145 CB THR A 9 105.687 15.973 -5.604 1.00 0.00 C ATOM 146 OG1 THR A 9 106.654 16.317 -4.623 1.00 0.00 O ATOM 147 CG2 THR A 9 104.292 15.996 -4.973 1.00 0.00 C ATOM 0 HA THR A 9 105.345 14.323 -6.991 1.00 0.00 H new ATOM 0 HB THR A 9 105.721 16.692 -6.423 1.00 0.00 H new ATOM 0 HG1 THR A 9 106.926 15.512 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 9 104.083 16.994 -4.588 1.00 0.00 H new ATOM 0 HG22 THR A 9 103.548 15.735 -5.726 1.00 0.00 H new ATOM 0 HG23 THR A 9 104.250 15.276 -4.156 1.00 0.00 H new ATOM 155 N ALA A 10 107.737 15.051 -7.782 1.00 0.00 N ATOM 156 CA ALA A 10 109.140 14.990 -8.292 1.00 0.00 C ATOM 157 C ALA A 10 110.088 15.598 -7.254 1.00 0.00 C ATOM 158 O ALA A 10 111.198 15.140 -7.064 1.00 0.00 O ATOM 159 CB ALA A 10 109.133 15.822 -9.575 1.00 0.00 C ATOM 0 H ALA A 10 107.074 15.540 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 10 109.477 13.970 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 10 110.132 15.826 -10.011 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.428 15.389 -10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.834 16.844 -9.344 1.00 0.00 H new ATOM 165 N GLU A 11 109.647 16.616 -6.576 1.00 0.00 N ATOM 166 CA GLU A 11 110.496 17.260 -5.533 1.00 0.00 C ATOM 167 C GLU A 11 110.826 16.258 -4.415 1.00 0.00 C ATOM 168 O GLU A 11 111.957 16.142 -3.985 1.00 0.00 O ATOM 169 CB GLU A 11 109.617 18.384 -4.977 1.00 0.00 C ATOM 170 CG GLU A 11 109.388 19.444 -6.061 1.00 0.00 C ATOM 171 CD GLU A 11 108.409 20.512 -5.556 1.00 0.00 C ATOM 172 OE1 GLU A 11 108.028 20.448 -4.398 1.00 0.00 O1- ATOM 173 OE2 GLU A 11 108.056 21.379 -6.340 1.00 0.00 O ATOM 0 H GLU A 11 108.726 17.036 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 11 111.445 17.617 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.662 17.980 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 11 110.094 18.836 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.336 19.908 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 11 108.993 18.975 -6.962 1.00 0.00 H new ATOM 180 N GLU A 12 109.842 15.538 -3.941 1.00 0.00 N ATOM 181 CA GLU A 12 110.079 14.544 -2.848 1.00 0.00 C ATOM 182 C GLU A 12 110.915 13.358 -3.340 1.00 0.00 C ATOM 183 O GLU A 12 111.880 12.959 -2.718 1.00 0.00 O ATOM 184 CB GLU A 12 108.676 14.070 -2.458 1.00 0.00 C ATOM 185 CG GLU A 12 107.939 15.177 -1.694 1.00 0.00 C ATOM 186 CD GLU A 12 106.489 14.760 -1.422 1.00 0.00 C ATOM 187 OE1 GLU A 12 106.123 13.658 -1.798 1.00 0.00 O1- ATOM 188 OE2 GLU A 12 105.767 15.555 -0.841 1.00 0.00 O ATOM 0 H GLU A 12 108.877 15.596 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 12 110.631 14.982 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 12 108.114 13.798 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.745 13.175 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.449 15.380 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.957 16.101 -2.272 1.00 0.00 H new ATOM 195 N GLU A 13 110.560 12.798 -4.458 1.00 0.00 N ATOM 196 CA GLU A 13 111.338 11.649 -5.000 1.00 0.00 C ATOM 197 C GLU A 13 112.773 12.077 -5.300 1.00 0.00 C ATOM 198 O GLU A 13 113.710 11.345 -5.065 1.00 0.00 O ATOM 199 CB GLU A 13 110.619 11.271 -6.293 1.00 0.00 C ATOM 200 CG GLU A 13 109.251 10.668 -5.962 1.00 0.00 C ATOM 201 CD GLU A 13 108.499 10.325 -7.254 1.00 0.00 C ATOM 202 OE1 GLU A 13 109.022 10.602 -8.322 1.00 0.00 O1- ATOM 203 OE2 GLU A 13 107.406 9.789 -7.151 1.00 0.00 O ATOM 0 H GLU A 13 109.762 13.086 -5.024 1.00 0.00 H new ATOM 0 HA GLU A 13 111.393 10.818 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.497 12.151 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 13 111.216 10.555 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.378 9.770 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.668 11.373 -5.369 1.00 0.00 H new ATOM 210 N LYS A 14 112.953 13.253 -5.818 1.00 0.00 N ATOM 211 CA LYS A 14 114.330 13.718 -6.137 1.00 0.00 C ATOM 212 C LYS A 14 115.197 13.794 -4.874 1.00 0.00 C ATOM 213 O LYS A 14 116.339 13.379 -4.873 1.00 0.00 O ATOM 214 CB LYS A 14 114.136 15.104 -6.742 1.00 0.00 C ATOM 215 CG LYS A 14 115.478 15.652 -7.228 1.00 0.00 C ATOM 216 CD LYS A 14 115.251 17.022 -7.868 1.00 0.00 C ATOM 217 CE LYS A 14 116.582 17.594 -8.359 1.00 0.00 C ATOM 218 NZ LYS A 14 116.223 18.896 -8.986 1.00 0.00 N1+ ATOM 0 H LYS A 14 112.208 13.915 -6.036 1.00 0.00 H new ATOM 0 HA LYS A 14 114.845 13.036 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.432 15.053 -7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.705 15.777 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 14 116.175 15.736 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.925 14.968 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.554 16.933 -8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.798 17.700 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 14 117.283 17.731 -7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 14 117.060 16.927 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 117.083 19.355 -9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.560 18.733 -9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.776 19.511 -8.277 1.00 0.00 H new ATOM 232 N ALA A 15 114.677 14.331 -3.799 1.00 0.00 N ATOM 233 CA ALA A 15 115.505 14.434 -2.558 1.00 0.00 C ATOM 234 C ALA A 15 115.857 13.040 -2.020 1.00 0.00 C ATOM 235 O ALA A 15 116.995 12.773 -1.682 1.00 0.00 O ATOM 236 CB ALA A 15 114.647 15.209 -1.558 1.00 0.00 C ATOM 0 H ALA A 15 113.728 14.698 -3.726 1.00 0.00 H new ATOM 0 HA ALA A 15 116.454 14.937 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.193 15.323 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.415 16.193 -1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.721 14.664 -1.374 1.00 0.00 H new ATOM 242 N ILE A 16 114.906 12.148 -1.934 1.00 0.00 N ATOM 243 CA ILE A 16 115.217 10.786 -1.411 1.00 0.00 C ATOM 244 C ILE A 16 116.167 10.062 -2.374 1.00 0.00 C ATOM 245 O ILE A 16 117.055 9.341 -1.961 1.00 0.00 O ATOM 246 CB ILE A 16 113.862 10.075 -1.284 1.00 0.00 C ATOM 247 CG1 ILE A 16 114.046 8.738 -0.567 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.245 9.827 -2.663 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.676 8.187 -0.160 1.00 0.00 C ATOM 0 H ILE A 16 113.934 12.302 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 16 115.725 10.810 -0.447 1.00 0.00 H new ATOM 0 HB ILE A 16 113.192 10.715 -0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.556 8.030 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.674 8.869 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.286 9.322 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 16 113.095 10.780 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.915 9.202 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.805 7.233 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.184 8.894 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 16 112.063 8.042 -1.050 1.00 0.00 H new ATOM 261 N VAL A 17 116.014 10.290 -3.649 1.00 0.00 N ATOM 262 CA VAL A 17 116.933 9.656 -4.636 1.00 0.00 C ATOM 263 C VAL A 17 118.350 10.183 -4.375 1.00 0.00 C ATOM 264 O VAL A 17 119.319 9.455 -4.455 1.00 0.00 O ATOM 265 CB VAL A 17 116.405 10.088 -6.008 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.401 9.694 -7.100 1.00 0.00 C ATOM 267 CG2 VAL A 17 115.068 9.391 -6.277 1.00 0.00 C ATOM 0 H VAL A 17 115.292 10.888 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 17 116.972 8.569 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 17 116.271 11.170 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 17 117.017 10.005 -8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.357 10.183 -6.914 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.539 8.613 -7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.689 9.696 -7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.212 8.311 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.350 9.670 -5.505 1.00 0.00 H new ATOM 277 N ASP A 18 118.472 11.447 -4.048 1.00 0.00 N ATOM 278 CA ASP A 18 119.829 12.010 -3.768 1.00 0.00 C ATOM 279 C ASP A 18 120.428 11.311 -2.551 1.00 0.00 C ATOM 280 O ASP A 18 121.614 11.052 -2.499 1.00 0.00 O ATOM 281 CB ASP A 18 119.637 13.507 -3.513 1.00 0.00 C ATOM 282 CG ASP A 18 120.992 14.165 -3.220 1.00 0.00 C ATOM 283 OD1 ASP A 18 121.971 13.445 -3.086 1.00 0.00 O1- ATOM 284 OD2 ASP A 18 121.029 15.382 -3.128 1.00 0.00 O ATOM 0 H ASP A 18 117.699 12.107 -3.964 1.00 0.00 H new ATOM 0 HA ASP A 18 120.515 11.856 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 18 119.175 13.976 -4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 18 118.960 13.658 -2.672 1.00 0.00 H new ATOM 289 N ALA A 19 119.623 10.983 -1.581 1.00 0.00 N ATOM 290 CA ALA A 19 120.166 10.278 -0.389 1.00 0.00 C ATOM 291 C ALA A 19 120.740 8.927 -0.826 1.00 0.00 C ATOM 292 O ALA A 19 121.762 8.488 -0.339 1.00 0.00 O ATOM 293 CB ALA A 19 118.969 10.089 0.545 1.00 0.00 C ATOM 0 H ALA A 19 118.621 11.171 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 19 120.967 10.829 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.291 9.574 1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.556 11.063 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 19 118.205 9.496 0.042 1.00 0.00 H new ATOM 299 N ILE A 20 120.088 8.263 -1.744 1.00 0.00 N ATOM 300 CA ILE A 20 120.599 6.938 -2.209 1.00 0.00 C ATOM 301 C ILE A 20 121.955 7.120 -2.903 1.00 0.00 C ATOM 302 O ILE A 20 122.891 6.376 -2.670 1.00 0.00 O ATOM 303 CB ILE A 20 119.541 6.428 -3.195 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.225 6.151 -2.456 1.00 0.00 C ATOM 305 CG2 ILE A 20 120.028 5.138 -3.859 1.00 0.00 C ATOM 306 CD1 ILE A 20 118.402 5.024 -1.428 1.00 0.00 C ATOM 0 H ILE A 20 119.227 8.579 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 20 120.754 6.235 -1.390 1.00 0.00 H new ATOM 0 HB ILE A 20 119.375 7.190 -3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 20 117.887 7.057 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.451 5.877 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.272 4.781 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.956 5.333 -4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.203 4.380 -3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 20 117.456 4.846 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 20 118.717 4.113 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 20 119.159 5.312 -0.699 1.00 0.00 H new ATOM 318 N ARG A 21 122.074 8.115 -3.741 1.00 0.00 N ATOM 319 CA ARG A 21 123.373 8.352 -4.434 1.00 0.00 C ATOM 320 C ARG A 21 124.477 8.643 -3.413 1.00 0.00 C ATOM 321 O ARG A 21 125.584 8.158 -3.527 1.00 0.00 O ATOM 322 CB ARG A 21 123.133 9.573 -5.337 1.00 0.00 C ATOM 323 CG ARG A 21 122.293 9.147 -6.548 1.00 0.00 C ATOM 324 CD ARG A 21 122.035 10.336 -7.478 1.00 0.00 C ATOM 325 NE ARG A 21 121.079 11.211 -6.758 1.00 0.00 N ATOM 326 CZ ARG A 21 121.199 12.509 -6.850 1.00 0.00 C ATOM 327 NH1 ARG A 21 122.175 13.128 -6.241 1.00 0.00 N ATOM 328 NH2 ARG A 21 120.344 13.187 -7.565 1.00 0.00 N1+ ATOM 0 H ARG A 21 121.330 8.772 -3.975 1.00 0.00 H new ATOM 0 HA ARG A 21 123.696 7.483 -5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.619 10.357 -4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 21 124.085 9.989 -5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.809 8.358 -7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.344 8.732 -6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 21 122.961 10.867 -7.700 1.00 0.00 H new ATOM 0 HD3 ARG A 21 121.621 10.005 -8.431 1.00 0.00 H new ATOM 0 HE ARG A 21 120.333 10.803 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 21 122.850 12.598 -5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 21 122.262 14.141 -6.317 1.00 0.00 H new ATOM 0 HH21 ARG A 21 119.587 12.704 -8.048 1.00 0.00 H new ATOM 0 HH22 ARG A 21 120.433 14.200 -7.641 1.00 0.00 H new ATOM 342 N ASP A 22 124.184 9.433 -2.414 1.00 0.00 N ATOM 343 CA ASP A 22 125.219 9.759 -1.387 1.00 0.00 C ATOM 344 C ASP A 22 125.644 8.514 -0.589 1.00 0.00 C ATOM 345 O ASP A 22 126.798 8.365 -0.241 1.00 0.00 O ATOM 346 CB ASP A 22 124.549 10.777 -0.460 1.00 0.00 C ATOM 347 CG ASP A 22 124.701 12.185 -1.041 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.728 12.450 -1.642 1.00 0.00 O1- ATOM 349 OD2 ASP A 22 123.792 12.980 -0.859 1.00 0.00 O ATOM 0 H ASP A 22 123.273 9.867 -2.264 1.00 0.00 H new ATOM 0 HA ASP A 22 126.127 10.144 -1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.493 10.535 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 22 125.000 10.732 0.531 1.00 0.00 H new ATOM 354 N ALA A 23 124.727 7.632 -0.274 1.00 0.00 N ATOM 355 CA ALA A 23 125.113 6.424 0.524 1.00 0.00 C ATOM 356 C ALA A 23 126.079 5.544 -0.269 1.00 0.00 C ATOM 357 O ALA A 23 127.026 5.011 0.273 1.00 0.00 O ATOM 358 CB ALA A 23 123.819 5.680 0.828 1.00 0.00 C ATOM 0 H ALA A 23 123.741 7.693 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 23 125.626 6.703 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.042 4.786 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 23 123.152 6.328 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.336 5.393 -0.106 1.00 0.00 H new ATOM 364 N GLU A 24 125.874 5.399 -1.554 1.00 0.00 N ATOM 365 CA GLU A 24 126.822 4.567 -2.361 1.00 0.00 C ATOM 366 C GLU A 24 128.249 5.147 -2.277 1.00 0.00 C ATOM 367 O GLU A 24 129.220 4.470 -2.562 1.00 0.00 O ATOM 368 CB GLU A 24 126.287 4.620 -3.795 1.00 0.00 C ATOM 369 CG GLU A 24 124.951 3.875 -3.870 1.00 0.00 C ATOM 370 CD GLU A 24 124.348 4.009 -5.273 1.00 0.00 C ATOM 371 OE1 GLU A 24 124.984 4.610 -6.126 1.00 0.00 O ATOM 372 OE2 GLU A 24 123.252 3.507 -5.471 1.00 0.00 O1- ATOM 0 H GLU A 24 125.102 5.814 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 24 126.883 3.541 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 24 126.156 5.656 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 24 127.006 4.169 -4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 24 125.099 2.822 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.260 4.277 -3.129 1.00 0.00 H new ATOM 379 N LYS A 25 128.386 6.379 -1.840 1.00 0.00 N ATOM 380 CA LYS A 25 129.737 6.972 -1.681 1.00 0.00 C ATOM 381 C LYS A 25 130.221 6.799 -0.224 1.00 0.00 C ATOM 382 O LYS A 25 131.309 7.215 0.127 1.00 0.00 O ATOM 383 CB LYS A 25 129.549 8.435 -2.038 1.00 0.00 C ATOM 384 CG LYS A 25 129.189 8.541 -3.515 1.00 0.00 C ATOM 385 CD LYS A 25 128.859 9.991 -3.844 1.00 0.00 C ATOM 386 CE LYS A 25 128.492 10.110 -5.324 1.00 0.00 C ATOM 387 NZ LYS A 25 128.177 11.550 -5.525 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.612 6.994 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 25 130.491 6.499 -2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.761 8.874 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.462 8.994 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 25 130.020 8.195 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.337 7.901 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 25 128.031 10.336 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.713 10.629 -3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.317 9.793 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.637 9.480 -5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.915 11.713 -6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.384 11.821 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 129.011 12.124 -5.288 1.00 0.00 H new ATOM 401 N ASN A 26 129.429 6.178 0.629 1.00 0.00 N ATOM 402 CA ASN A 26 129.852 5.952 2.046 1.00 0.00 C ATOM 403 C ASN A 26 130.023 4.437 2.304 1.00 0.00 C ATOM 404 O ASN A 26 130.619 4.025 3.282 1.00 0.00 O ATOM 405 CB ASN A 26 128.699 6.499 2.893 1.00 0.00 C ATOM 406 CG ASN A 26 128.571 8.008 2.679 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.560 8.708 2.586 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.383 8.542 2.595 1.00 0.00 N ATOM 0 H ASN A 26 128.503 5.818 0.397 1.00 0.00 H new ATOM 0 HA ASN A 26 130.801 6.436 2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.768 6.003 2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.876 6.285 3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.285 9.547 2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.553 7.954 2.673 1.00 0.00 H new ATOM 415 N THR A 27 129.496 3.604 1.431 1.00 0.00 N ATOM 416 CA THR A 27 129.620 2.120 1.607 1.00 0.00 C ATOM 417 C THR A 27 129.589 1.438 0.233 1.00 0.00 C ATOM 418 O THR A 27 129.049 1.967 -0.717 1.00 0.00 O ATOM 419 CB THR A 27 128.406 1.682 2.451 1.00 0.00 C ATOM 420 OG1 THR A 27 128.304 0.261 2.431 1.00 0.00 O ATOM 421 CG2 THR A 27 127.109 2.290 1.894 1.00 0.00 C ATOM 0 H THR A 27 128.982 3.893 0.599 1.00 0.00 H new ATOM 0 HA THR A 27 130.555 1.846 2.096 1.00 0.00 H new ATOM 0 HB THR A 27 128.548 2.033 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.534 -0.019 2.968 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.265 1.968 2.504 1.00 0.00 H new ATOM 0 HG22 THR A 27 127.178 3.378 1.915 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.962 1.956 0.867 1.00 0.00 H new ATOM 429 N SER A 28 130.146 0.263 0.126 1.00 0.00 N ATOM 430 CA SER A 28 130.118 -0.451 -1.178 1.00 0.00 C ATOM 431 C SER A 28 128.807 -1.250 -1.315 1.00 0.00 C ATOM 432 O SER A 28 128.520 -1.804 -2.359 1.00 0.00 O ATOM 433 CB SER A 28 131.328 -1.384 -1.150 1.00 0.00 C ATOM 434 OG SER A 28 132.503 -0.615 -0.925 1.00 0.00 O ATOM 0 H SER A 28 130.618 -0.231 0.884 1.00 0.00 H new ATOM 0 HA SER A 28 130.160 0.232 -2.027 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.210 -2.129 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 28 131.408 -1.925 -2.093 1.00 0.00 H new ATOM 0 HG SER A 28 133.283 -1.208 -0.904 1.00 0.00 H new ATOM 440 N GLY A 29 127.997 -1.305 -0.279 1.00 0.00 N ATOM 441 CA GLY A 29 126.712 -2.050 -0.374 1.00 0.00 C ATOM 442 C GLY A 29 125.729 -1.220 -1.195 1.00 0.00 C ATOM 443 O GLY A 29 126.008 -0.089 -1.542 1.00 0.00 O ATOM 0 H GLY A 29 128.177 -0.864 0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.871 -3.021 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.309 -2.239 0.621 1.00 0.00 H new ATOM 447 N GLU A 30 124.584 -1.755 -1.504 1.00 0.00 N ATOM 448 CA GLU A 30 123.600 -0.962 -2.304 1.00 0.00 C ATOM 449 C GLU A 30 122.207 -1.001 -1.665 1.00 0.00 C ATOM 450 O GLU A 30 121.735 -2.028 -1.220 1.00 0.00 O ATOM 451 CB GLU A 30 123.590 -1.595 -3.697 1.00 0.00 C ATOM 452 CG GLU A 30 124.945 -1.356 -4.373 1.00 0.00 C ATOM 453 CD GLU A 30 125.916 -2.493 -4.031 1.00 0.00 C ATOM 454 OE1 GLU A 30 125.554 -3.345 -3.235 1.00 0.00 O ATOM 455 OE2 GLU A 30 127.010 -2.490 -4.573 1.00 0.00 O1- ATOM 0 H GLU A 30 124.284 -2.695 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 30 123.879 0.091 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.392 -2.664 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.790 -1.164 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 30 124.814 -1.292 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.360 -0.403 -4.045 1.00 0.00 H new ATOM 462 N ILE A 31 121.552 0.134 -1.625 1.00 0.00 N ATOM 463 CA ILE A 31 120.188 0.211 -1.024 1.00 0.00 C ATOM 464 C ILE A 31 119.168 0.643 -2.085 1.00 0.00 C ATOM 465 O ILE A 31 119.390 1.578 -2.828 1.00 0.00 O ATOM 466 CB ILE A 31 120.275 1.278 0.074 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.260 0.845 1.161 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.893 1.469 0.704 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.551 2.039 2.074 1.00 0.00 C ATOM 0 H ILE A 31 121.910 1.018 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 31 119.869 -0.754 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 31 120.620 2.212 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.843 0.021 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 31 122.183 0.482 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.951 2.227 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.186 1.789 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.557 0.527 1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.253 1.739 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.984 2.849 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.623 2.380 2.534 1.00 0.00 H new ATOM 481 N ARG A 32 118.045 -0.014 -2.142 1.00 0.00 N ATOM 482 CA ARG A 32 117.001 0.373 -3.132 1.00 0.00 C ATOM 483 C ARG A 32 115.613 0.294 -2.488 1.00 0.00 C ATOM 484 O ARG A 32 115.385 -0.463 -1.566 1.00 0.00 O ATOM 485 CB ARG A 32 117.120 -0.627 -4.274 1.00 0.00 C ATOM 486 CG ARG A 32 116.124 -0.249 -5.364 1.00 0.00 C ATOM 487 CD ARG A 32 116.187 -1.282 -6.490 1.00 0.00 C ATOM 488 NE ARG A 32 115.316 -0.722 -7.559 1.00 0.00 N ATOM 489 CZ ARG A 32 114.966 -1.441 -8.599 1.00 0.00 C ATOM 490 NH1 ARG A 32 115.219 -2.727 -8.654 1.00 0.00 N ATOM 491 NH2 ARG A 32 114.354 -0.865 -9.593 1.00 0.00 N1+ ATOM 0 H ARG A 32 117.803 -0.805 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 32 117.135 1.395 -3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 32 118.134 -0.625 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.921 -1.636 -3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 32 115.116 -0.205 -4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.353 0.743 -5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.209 -1.422 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 32 115.829 -2.256 -6.156 1.00 0.00 H new ATOM 0 HE ARG A 32 114.985 0.240 -7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 32 115.697 -3.186 -7.879 1.00 0.00 H new ATOM 0 HH12 ARG A 32 114.938 -3.267 -9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 32 114.152 0.134 -9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 32 114.077 -1.413 -10.407 1.00 0.00 H new ATOM 505 N VAL A 33 114.689 1.088 -2.962 1.00 0.00 N ATOM 506 CA VAL A 33 113.316 1.084 -2.374 1.00 0.00 C ATOM 507 C VAL A 33 112.274 0.730 -3.448 1.00 0.00 C ATOM 508 O VAL A 33 112.310 1.231 -4.555 1.00 0.00 O ATOM 509 CB VAL A 33 113.111 2.518 -1.853 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.656 2.725 -1.418 1.00 0.00 C ATOM 511 CG2 VAL A 33 114.019 2.753 -0.647 1.00 0.00 C ATOM 0 H VAL A 33 114.826 1.741 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 33 113.202 0.344 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 33 113.353 3.218 -2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.527 3.744 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.995 2.558 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.410 2.020 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.876 3.768 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.771 2.041 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 33 115.059 2.618 -0.943 1.00 0.00 H new ATOM 521 N HIS A 34 111.331 -0.110 -3.110 1.00 0.00 N ATOM 522 CA HIS A 34 110.259 -0.483 -4.081 1.00 0.00 C ATOM 523 C HIS A 34 108.893 -0.141 -3.477 1.00 0.00 C ATOM 524 O HIS A 34 108.571 -0.538 -2.375 1.00 0.00 O ATOM 525 CB HIS A 34 110.400 -1.992 -4.291 1.00 0.00 C ATOM 526 CG HIS A 34 109.324 -2.480 -5.224 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.410 -2.328 -6.599 1.00 0.00 N ATOM 528 CD2 HIS A 34 108.134 -3.128 -4.993 1.00 0.00 C ATOM 529 CE1 HIS A 34 108.303 -2.874 -7.138 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.492 -3.376 -6.204 1.00 0.00 N ATOM 0 H HIS A 34 111.257 -0.557 -2.196 1.00 0.00 H new ATOM 0 HA HIS A 34 110.344 0.052 -5.027 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.383 -2.221 -4.703 1.00 0.00 H new ATOM 0 HB3 HIS A 34 110.327 -2.510 -3.335 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.754 -3.403 -4.020 1.00 0.00 H new ATOM 0 HE1 HIS A 34 108.096 -2.902 -8.198 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.595 -3.841 -6.346 1.00 0.00 H new ATOM 538 N LEU A 35 108.099 0.609 -4.186 1.00 0.00 N ATOM 539 CA LEU A 35 106.761 1.007 -3.662 1.00 0.00 C ATOM 540 C LEU A 35 105.629 0.359 -4.466 1.00 0.00 C ATOM 541 O LEU A 35 105.544 0.487 -5.672 1.00 0.00 O ATOM 542 CB LEU A 35 106.718 2.526 -3.826 1.00 0.00 C ATOM 543 CG LEU A 35 105.457 3.070 -3.154 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.491 2.730 -1.663 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.400 4.589 -3.328 1.00 0.00 C ATOM 0 H LEU A 35 108.320 0.967 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 35 106.624 0.688 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.605 2.977 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.723 2.790 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 35 104.577 2.619 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.593 3.117 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.533 1.648 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.371 3.183 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.501 4.977 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.279 5.041 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.379 4.833 -4.390 1.00 0.00 H new ATOM 557 N GLU A 36 104.739 -0.306 -3.777 1.00 0.00 N ATOM 558 CA GLU A 36 103.566 -0.948 -4.441 1.00 0.00 C ATOM 559 C GLU A 36 102.349 -0.807 -3.522 1.00 0.00 C ATOM 560 O GLU A 36 102.471 -0.442 -2.370 1.00 0.00 O ATOM 561 CB GLU A 36 103.941 -2.414 -4.665 1.00 0.00 C ATOM 562 CG GLU A 36 102.796 -3.133 -5.383 1.00 0.00 C ATOM 563 CD GLU A 36 103.156 -4.605 -5.601 1.00 0.00 C ATOM 564 OE1 GLU A 36 104.114 -5.060 -4.998 1.00 0.00 O ATOM 565 OE2 GLU A 36 102.463 -5.255 -6.369 1.00 0.00 O1- ATOM 0 H GLU A 36 104.776 -0.433 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 36 103.315 -0.485 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.854 -2.480 -5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 36 104.145 -2.898 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.882 -3.057 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.598 -2.653 -6.341 1.00 0.00 H new ATOM 572 N LYS A 37 101.171 -1.034 -4.040 1.00 0.00 N ATOM 573 CA LYS A 37 99.948 -0.845 -3.208 1.00 0.00 C ATOM 574 C LYS A 37 99.633 -2.038 -2.294 1.00 0.00 C ATOM 575 O LYS A 37 99.884 -1.998 -1.104 1.00 0.00 O ATOM 576 CB LYS A 37 98.812 -0.613 -4.206 1.00 0.00 C ATOM 577 CG LYS A 37 99.016 0.729 -4.915 1.00 0.00 C ATOM 578 CD LYS A 37 97.865 0.968 -5.898 1.00 0.00 C ATOM 579 CE LYS A 37 98.055 2.322 -6.592 1.00 0.00 C ATOM 580 NZ LYS A 37 96.910 2.442 -7.543 1.00 0.00 N1+ ATOM 0 H LYS A 37 101.004 -1.341 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 37 100.090 -0.008 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.786 -1.421 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.853 -0.620 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 37 99.057 1.536 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.968 0.731 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.834 0.169 -6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.912 0.949 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.053 3.138 -5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 37 99.009 2.364 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.976 3.346 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.941 1.657 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 96.015 2.407 -7.015 1.00 0.00 H new ATOM 594 N THR A 38 99.083 -3.092 -2.834 1.00 0.00 N ATOM 595 CA THR A 38 98.750 -4.284 -1.993 1.00 0.00 C ATOM 596 C THR A 38 99.024 -5.565 -2.779 1.00 0.00 C ATOM 597 O THR A 38 99.074 -5.561 -3.992 1.00 0.00 O ATOM 598 CB THR A 38 97.256 -4.160 -1.677 1.00 0.00 C ATOM 599 OG1 THR A 38 96.822 -5.326 -0.992 1.00 0.00 O ATOM 600 CG2 THR A 38 96.466 -4.010 -2.980 1.00 0.00 C ATOM 0 H THR A 38 98.849 -3.182 -3.823 1.00 0.00 H new ATOM 0 HA THR A 38 99.349 -4.325 -1.083 1.00 0.00 H new ATOM 0 HB THR A 38 97.089 -3.284 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.867 -5.249 -0.787 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.403 -3.922 -2.753 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.800 -3.116 -3.507 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.632 -4.885 -3.609 1.00 0.00 H new ATOM 608 N SER A 39 99.214 -6.663 -2.099 1.00 0.00 N ATOM 609 CA SER A 39 99.500 -7.933 -2.817 1.00 0.00 C ATOM 610 C SER A 39 98.369 -8.941 -2.643 1.00 0.00 C ATOM 611 O SER A 39 97.406 -8.705 -1.939 1.00 0.00 O ATOM 612 CB SER A 39 100.776 -8.458 -2.176 1.00 0.00 C ATOM 613 OG SER A 39 101.762 -7.444 -2.243 1.00 0.00 O ATOM 0 H SER A 39 99.183 -6.734 -1.082 1.00 0.00 H new ATOM 0 HA SER A 39 99.600 -7.773 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.591 -8.739 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.119 -9.354 -2.693 1.00 0.00 H new ATOM 0 HG SER A 39 102.371 -7.529 -1.480 1.00 0.00 H new ATOM 619 N GLU A 40 98.492 -10.068 -3.270 1.00 0.00 N ATOM 620 CA GLU A 40 97.450 -11.120 -3.149 1.00 0.00 C ATOM 621 C GLU A 40 97.928 -12.219 -2.195 1.00 0.00 C ATOM 622 O GLU A 40 97.140 -12.978 -1.666 1.00 0.00 O ATOM 623 CB GLU A 40 97.297 -11.678 -4.565 1.00 0.00 C ATOM 624 CG GLU A 40 96.741 -10.587 -5.486 1.00 0.00 C ATOM 625 CD GLU A 40 96.598 -11.121 -6.917 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.939 -12.271 -7.143 1.00 0.00 O1- ATOM 627 OE2 GLU A 40 96.150 -10.365 -7.765 1.00 0.00 O ATOM 0 H GLU A 40 99.280 -10.311 -3.870 1.00 0.00 H new ATOM 0 HA GLU A 40 96.510 -10.735 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 40 98.261 -12.026 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 40 96.628 -12.539 -4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 40 95.772 -10.250 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 40 97.404 -9.722 -5.478 1.00 0.00 H new ATOM 634 N ILE A 41 99.213 -12.317 -1.970 1.00 0.00 N ATOM 635 CA ILE A 41 99.730 -13.378 -1.055 1.00 0.00 C ATOM 636 C ILE A 41 100.304 -12.723 0.224 1.00 0.00 C ATOM 637 O ILE A 41 99.598 -12.025 0.928 1.00 0.00 O ATOM 638 CB ILE A 41 100.812 -14.138 -1.843 1.00 0.00 C ATOM 639 CG1 ILE A 41 100.337 -14.483 -3.255 1.00 0.00 C ATOM 640 CG2 ILE A 41 101.155 -15.427 -1.097 1.00 0.00 C ATOM 641 CD1 ILE A 41 101.527 -14.997 -4.062 1.00 0.00 C ATOM 0 H ILE A 41 99.924 -11.711 -2.379 1.00 0.00 H new ATOM 0 HA ILE A 41 98.948 -14.066 -0.735 1.00 0.00 H new ATOM 0 HB ILE A 41 101.690 -13.498 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 41 99.553 -15.239 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 41 99.908 -13.603 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 41 101.921 -15.973 -1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.527 -15.183 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.262 -16.045 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 41 101.201 -15.247 -5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 41 102.295 -14.225 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 41 101.935 -15.886 -3.582 1.00 0.00 H new ATOM 653 N ASP A 42 101.571 -12.907 0.539 1.00 0.00 N ATOM 654 CA ASP A 42 102.135 -12.261 1.750 1.00 0.00 C ATOM 655 C ASP A 42 103.182 -11.245 1.305 1.00 0.00 C ATOM 656 O ASP A 42 103.834 -11.429 0.298 1.00 0.00 O ATOM 657 CB ASP A 42 102.775 -13.403 2.542 1.00 0.00 C ATOM 658 CG ASP A 42 101.684 -14.238 3.222 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.559 -13.771 3.292 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 101.996 -15.331 3.665 1.00 0.00 O ATOM 0 H ASP A 42 102.227 -13.476 0.005 1.00 0.00 H new ATOM 0 HA ASP A 42 101.395 -11.734 2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.366 -14.033 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.458 -13.001 3.291 1.00 0.00 H new ATOM 665 N VAL A 43 103.349 -10.181 2.026 1.00 0.00 N ATOM 666 CA VAL A 43 104.355 -9.164 1.616 1.00 0.00 C ATOM 667 C VAL A 43 105.756 -9.784 1.589 1.00 0.00 C ATOM 668 O VAL A 43 106.528 -9.537 0.686 1.00 0.00 O ATOM 669 CB VAL A 43 104.252 -8.046 2.661 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.390 -7.037 2.473 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.910 -7.329 2.499 1.00 0.00 C ATOM 0 H VAL A 43 102.835 -9.968 2.881 1.00 0.00 H new ATOM 0 HA VAL A 43 104.172 -8.780 0.612 1.00 0.00 H new ATOM 0 HB VAL A 43 104.326 -8.482 3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.305 -6.249 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.348 -7.544 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.328 -6.600 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.831 -6.533 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.844 -6.902 1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.097 -8.041 2.644 1.00 0.00 H new ATOM 681 N PHE A 44 106.091 -10.575 2.563 1.00 0.00 N ATOM 682 CA PHE A 44 107.446 -11.189 2.575 1.00 0.00 C ATOM 683 C PHE A 44 107.665 -12.055 1.326 1.00 0.00 C ATOM 684 O PHE A 44 108.681 -11.955 0.668 1.00 0.00 O ATOM 685 CB PHE A 44 107.469 -12.054 3.831 1.00 0.00 C ATOM 686 CG PHE A 44 108.846 -12.637 4.001 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.873 -11.854 4.538 1.00 0.00 C ATOM 688 CD2 PHE A 44 109.098 -13.959 3.618 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.154 -12.392 4.692 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.380 -14.498 3.772 1.00 0.00 C ATOM 691 CZ PHE A 44 111.409 -13.715 4.310 1.00 0.00 C ATOM 0 H PHE A 44 105.490 -10.824 3.349 1.00 0.00 H new ATOM 0 HA PHE A 44 108.235 -10.437 2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.203 -11.457 4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.730 -12.851 3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.676 -10.834 4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.304 -14.563 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.947 -11.787 5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.576 -15.518 3.476 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.398 -14.131 4.430 1.00 0.00 H new ATOM 701 N ASP A 45 106.713 -12.877 0.969 1.00 0.00 N ATOM 702 CA ASP A 45 106.876 -13.711 -0.262 1.00 0.00 C ATOM 703 C ASP A 45 106.763 -12.810 -1.497 1.00 0.00 C ATOM 704 O ASP A 45 107.557 -12.897 -2.412 1.00 0.00 O ATOM 705 CB ASP A 45 105.734 -14.727 -0.209 1.00 0.00 C ATOM 706 CG ASP A 45 106.153 -15.920 0.650 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.346 -16.125 0.802 1.00 0.00 O ATOM 708 OD2 ASP A 45 105.275 -16.606 1.147 1.00 0.00 O1- ATOM 0 H ASP A 45 105.835 -13.008 1.471 1.00 0.00 H new ATOM 0 HA ASP A 45 107.843 -14.211 -0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 45 104.839 -14.263 0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.483 -15.061 -1.216 1.00 0.00 H new ATOM 713 N ARG A 46 105.793 -11.941 -1.528 1.00 0.00 N ATOM 714 CA ARG A 46 105.639 -11.028 -2.696 1.00 0.00 C ATOM 715 C ARG A 46 106.880 -10.143 -2.890 1.00 0.00 C ATOM 716 O ARG A 46 107.334 -9.948 -4.001 1.00 0.00 O ATOM 717 CB ARG A 46 104.433 -10.162 -2.349 1.00 0.00 C ATOM 718 CG ARG A 46 104.191 -9.173 -3.486 1.00 0.00 C ATOM 719 CD ARG A 46 103.758 -9.930 -4.738 1.00 0.00 C ATOM 720 NE ARG A 46 103.500 -8.866 -5.742 1.00 0.00 N ATOM 721 CZ ARG A 46 103.442 -9.165 -7.007 1.00 0.00 C ATOM 722 NH1 ARG A 46 104.401 -9.859 -7.555 1.00 0.00 N1+ ATOM 723 NH2 ARG A 46 102.426 -8.771 -7.720 1.00 0.00 N ATOM 0 H ARG A 46 105.097 -11.822 -0.792 1.00 0.00 H new ATOM 0 HA ARG A 46 105.513 -11.585 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 46 103.552 -10.786 -2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 46 104.609 -9.627 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 46 103.423 -8.454 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 46 105.099 -8.605 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 46 104.535 -10.616 -5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 46 102.865 -10.527 -4.553 1.00 0.00 H new ATOM 0 HE ARG A 46 103.368 -7.901 -5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 46 105.194 -10.166 -6.992 1.00 0.00 H new ATOM 0 HH12 ARG A 46 104.358 -10.095 -8.546 1.00 0.00 H new ATOM 0 HH21 ARG A 46 101.678 -8.229 -7.287 1.00 0.00 H new ATOM 0 HH22 ARG A 46 102.378 -9.004 -8.712 1.00 0.00 H new ATOM 737 N ALA A 47 107.432 -9.594 -1.841 1.00 0.00 N ATOM 738 CA ALA A 47 108.634 -8.722 -2.008 1.00 0.00 C ATOM 739 C ALA A 47 109.835 -9.552 -2.463 1.00 0.00 C ATOM 740 O ALA A 47 110.614 -9.120 -3.288 1.00 0.00 O ATOM 741 CB ALA A 47 108.881 -8.113 -0.629 1.00 0.00 C ATOM 0 H ALA A 47 107.106 -9.710 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 47 108.483 -7.953 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 47 109.751 -7.458 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.007 -7.537 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.061 -8.909 0.093 1.00 0.00 H new ATOM 747 N MET A 48 109.987 -10.736 -1.951 1.00 0.00 N ATOM 748 CA MET A 48 111.133 -11.587 -2.382 1.00 0.00 C ATOM 749 C MET A 48 111.016 -11.892 -3.878 1.00 0.00 C ATOM 750 O MET A 48 111.992 -11.848 -4.601 1.00 0.00 O ATOM 751 CB MET A 48 111.021 -12.859 -1.545 1.00 0.00 C ATOM 752 CG MET A 48 112.170 -13.805 -1.892 1.00 0.00 C ATOM 753 SD MET A 48 112.081 -15.275 -0.839 1.00 0.00 S ATOM 754 CE MET A 48 110.574 -15.984 -1.550 1.00 0.00 C ATOM 0 H MET A 48 109.371 -11.154 -1.254 1.00 0.00 H new ATOM 0 HA MET A 48 112.098 -11.102 -2.235 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.048 -12.611 -0.484 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.065 -13.347 -1.734 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.114 -14.093 -2.942 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.126 -13.301 -1.750 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.575 -17.064 -1.402 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.702 -15.551 -1.060 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.537 -15.764 -2.617 1.00 0.00 H new ATOM 764 N ASP A 49 109.838 -12.185 -4.353 1.00 0.00 N ATOM 765 CA ASP A 49 109.685 -12.461 -5.808 1.00 0.00 C ATOM 766 C ASP A 49 110.041 -11.201 -6.599 1.00 0.00 C ATOM 767 O ASP A 49 110.727 -11.251 -7.599 1.00 0.00 O ATOM 768 CB ASP A 49 108.216 -12.834 -6.004 1.00 0.00 C ATOM 769 CG ASP A 49 108.018 -14.322 -5.711 1.00 0.00 C ATOM 770 OD1 ASP A 49 108.994 -15.051 -5.766 1.00 0.00 O ATOM 771 OD2 ASP A 49 106.894 -14.705 -5.433 1.00 0.00 O1- ATOM 0 H ASP A 49 108.982 -12.245 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 49 110.339 -13.261 -6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 49 107.588 -12.237 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 49 107.907 -12.610 -7.025 1.00 0.00 H new ATOM 776 N VAL A 50 109.600 -10.066 -6.131 1.00 0.00 N ATOM 777 CA VAL A 50 109.926 -8.784 -6.820 1.00 0.00 C ATOM 778 C VAL A 50 111.427 -8.504 -6.704 1.00 0.00 C ATOM 779 O VAL A 50 112.060 -8.096 -7.658 1.00 0.00 O ATOM 780 CB VAL A 50 109.106 -7.712 -6.101 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.434 -6.341 -6.689 1.00 0.00 C ATOM 782 CG2 VAL A 50 107.613 -7.999 -6.280 1.00 0.00 C ATOM 0 H VAL A 50 109.024 -9.970 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 50 109.688 -8.810 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 50 109.351 -7.722 -5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 50 108.850 -5.576 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 50 110.496 -6.134 -6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.190 -6.333 -7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.031 -7.233 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.366 -7.992 -7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.377 -8.977 -5.859 1.00 0.00 H new ATOM 792 N PHE A 51 112.008 -8.725 -5.561 1.00 0.00 N ATOM 793 CA PHE A 51 113.473 -8.479 -5.417 1.00 0.00 C ATOM 794 C PHE A 51 114.233 -9.336 -6.426 1.00 0.00 C ATOM 795 O PHE A 51 115.102 -8.858 -7.127 1.00 0.00 O ATOM 796 CB PHE A 51 113.812 -8.944 -4.001 1.00 0.00 C ATOM 797 CG PHE A 51 115.209 -8.504 -3.637 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.329 -9.026 -4.298 1.00 0.00 C ATOM 799 CD2 PHE A 51 115.372 -7.558 -2.633 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.613 -8.583 -3.946 1.00 0.00 C ATOM 801 CE2 PHE A 51 116.650 -7.117 -2.277 1.00 0.00 C ATOM 802 CZ PHE A 51 117.772 -7.627 -2.937 1.00 0.00 C ATOM 0 H PHE A 51 111.537 -9.064 -4.722 1.00 0.00 H new ATOM 0 HA PHE A 51 113.738 -7.436 -5.588 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.095 -8.531 -3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 51 113.735 -10.029 -3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.204 -9.766 -5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 51 114.506 -7.161 -2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.479 -8.980 -4.454 1.00 0.00 H new ATOM 0 HE2 PHE A 51 116.770 -6.384 -1.493 1.00 0.00 H new ATOM 0 HZ PHE A 51 118.760 -7.283 -2.668 1.00 0.00 H new ATOM 812 N HIS A 52 113.912 -10.594 -6.514 1.00 0.00 N ATOM 813 CA HIS A 52 114.618 -11.470 -7.489 1.00 0.00 C ATOM 814 C HIS A 52 114.158 -11.143 -8.916 1.00 0.00 C ATOM 815 O HIS A 52 114.939 -11.178 -9.847 1.00 0.00 O ATOM 816 CB HIS A 52 114.251 -12.896 -7.084 1.00 0.00 C ATOM 817 CG HIS A 52 115.007 -13.277 -5.836 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.525 -14.548 -5.650 1.00 0.00 N ATOM 819 CD2 HIS A 52 115.339 -12.569 -4.705 1.00 0.00 C ATOM 820 CE1 HIS A 52 116.136 -14.569 -4.452 1.00 0.00 C ATOM 821 NE2 HIS A 52 116.052 -13.388 -3.833 1.00 0.00 N ATOM 0 H HIS A 52 113.193 -11.054 -5.955 1.00 0.00 H new ATOM 0 HA HIS A 52 115.699 -11.329 -7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.178 -12.970 -6.908 1.00 0.00 H new ATOM 0 HB3 HIS A 52 114.490 -13.587 -7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 52 115.086 -11.535 -4.521 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.634 -15.435 -4.041 1.00 0.00 H new ATOM 0 HE2 HIS A 52 116.429 -13.140 -2.918 1.00 0.00 H new ATOM 829 N ASN A 53 112.910 -10.809 -9.101 1.00 0.00 N ATOM 830 CA ASN A 53 112.433 -10.467 -10.476 1.00 0.00 C ATOM 831 C ASN A 53 113.227 -9.268 -10.996 1.00 0.00 C ATOM 832 O ASN A 53 113.546 -9.185 -12.165 1.00 0.00 O ATOM 833 CB ASN A 53 110.957 -10.106 -10.321 1.00 0.00 C ATOM 834 CG ASN A 53 110.126 -11.384 -10.203 1.00 0.00 C ATOM 835 OD1 ASN A 53 110.576 -12.452 -10.565 1.00 0.00 O ATOM 836 ND2 ASN A 53 108.922 -11.317 -9.704 1.00 0.00 N ATOM 0 H ASN A 53 112.203 -10.758 -8.367 1.00 0.00 H new ATOM 0 HA ASN A 53 112.566 -11.287 -11.182 1.00 0.00 H new ATOM 0 HB2 ASN A 53 110.815 -9.485 -9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 53 110.623 -9.521 -11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 53 108.358 -12.162 -9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 53 108.545 -10.419 -9.400 1.00 0.00 H new ATOM 843 N LEU A 54 113.567 -8.350 -10.135 1.00 0.00 N ATOM 844 CA LEU A 54 114.367 -7.176 -10.582 1.00 0.00 C ATOM 845 C LEU A 54 115.868 -7.527 -10.602 1.00 0.00 C ATOM 846 O LEU A 54 116.702 -6.680 -10.855 1.00 0.00 O ATOM 847 CB LEU A 54 114.088 -6.086 -9.550 1.00 0.00 C ATOM 848 CG LEU A 54 112.602 -5.729 -9.578 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.299 -4.734 -8.459 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.254 -5.100 -10.928 1.00 0.00 C ATOM 0 H LEU A 54 113.326 -8.362 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 54 114.101 -6.860 -11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.372 -6.430 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.690 -5.203 -9.766 1.00 0.00 H new ATOM 0 HG LEU A 54 112.007 -6.631 -9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.240 -4.478 -8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.548 -5.182 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 54 112.893 -3.832 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.194 -4.845 -10.948 1.00 0.00 H new ATOM 0 HD22 LEU A 54 112.847 -4.197 -11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.472 -5.809 -11.727 1.00 0.00 H new ATOM 862 N LYS A 55 116.220 -8.768 -10.345 1.00 0.00 N ATOM 863 CA LYS A 55 117.656 -9.164 -10.362 1.00 0.00 C ATOM 864 C LYS A 55 118.485 -8.280 -9.419 1.00 0.00 C ATOM 865 O LYS A 55 119.643 -8.013 -9.672 1.00 0.00 O ATOM 866 CB LYS A 55 118.102 -8.980 -11.816 1.00 0.00 C ATOM 867 CG LYS A 55 117.298 -9.909 -12.735 1.00 0.00 C ATOM 868 CD LYS A 55 117.661 -11.370 -12.442 1.00 0.00 C ATOM 869 CE LYS A 55 116.881 -12.295 -13.389 1.00 0.00 C ATOM 870 NZ LYS A 55 117.272 -13.691 -13.016 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.568 -9.521 -10.124 1.00 0.00 H new ATOM 0 HA LYS A 55 117.798 -10.188 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 55 117.960 -7.943 -12.120 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.166 -9.196 -11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 55 116.230 -9.752 -12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 55 117.508 -9.675 -13.779 1.00 0.00 H new ATOM 0 HD2 LYS A 55 118.733 -11.522 -12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 55 117.427 -11.613 -11.406 1.00 0.00 H new ATOM 0 HE2 LYS A 55 115.806 -12.148 -13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 55 117.128 -12.086 -14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 116.772 -14.367 -13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 118.298 -13.808 -13.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 117.018 -13.869 -12.023 1.00 0.00 H new ATOM 884 N MET A 56 117.916 -7.832 -8.325 1.00 0.00 N ATOM 885 CA MET A 56 118.712 -6.983 -7.385 1.00 0.00 C ATOM 886 C MET A 56 119.848 -7.811 -6.766 1.00 0.00 C ATOM 887 O MET A 56 120.767 -7.269 -6.181 1.00 0.00 O ATOM 888 CB MET A 56 117.735 -6.501 -6.310 1.00 0.00 C ATOM 889 CG MET A 56 116.837 -5.404 -6.886 1.00 0.00 C ATOM 890 SD MET A 56 115.649 -4.883 -5.624 1.00 0.00 S ATOM 891 CE MET A 56 116.831 -4.044 -4.540 1.00 0.00 C ATOM 0 H MET A 56 116.952 -8.014 -8.046 1.00 0.00 H new ATOM 0 HA MET A 56 119.173 -6.137 -7.895 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.127 -7.334 -5.957 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.285 -6.120 -5.449 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.440 -4.555 -7.207 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.312 -5.773 -7.767 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.295 -3.376 -3.865 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.380 -4.784 -3.958 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.531 -3.465 -5.143 1.00 0.00 H new ATOM 901 N ASP A 57 119.823 -9.113 -6.913 1.00 0.00 N ATOM 902 CA ASP A 57 120.939 -9.934 -6.360 1.00 0.00 C ATOM 903 C ASP A 57 122.178 -9.819 -7.278 1.00 0.00 C ATOM 904 O ASP A 57 123.224 -10.369 -6.990 1.00 0.00 O ATOM 905 CB ASP A 57 120.414 -11.371 -6.326 1.00 0.00 C ATOM 906 CG ASP A 57 119.240 -11.469 -5.351 1.00 0.00 C ATOM 907 OD1 ASP A 57 119.376 -10.985 -4.243 1.00 0.00 O1- ATOM 908 OD2 ASP A 57 118.226 -12.035 -5.729 1.00 0.00 O ATOM 0 H ASP A 57 119.086 -9.636 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 57 121.244 -9.603 -5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 57 120.097 -11.676 -7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 57 121.209 -12.052 -6.022 1.00 0.00 H new ATOM 913 N ASN A 58 122.077 -9.088 -8.370 1.00 0.00 N ATOM 914 CA ASN A 58 123.242 -8.913 -9.287 1.00 0.00 C ATOM 915 C ASN A 58 124.259 -7.945 -8.674 1.00 0.00 C ATOM 916 O ASN A 58 124.511 -6.879 -9.199 1.00 0.00 O ATOM 917 CB ASN A 58 122.634 -8.305 -10.555 1.00 0.00 C ATOM 918 CG ASN A 58 123.706 -8.183 -11.640 1.00 0.00 C ATOM 919 OD1 ASN A 58 124.859 -7.943 -11.349 1.00 0.00 O ATOM 920 ND2 ASN A 58 123.370 -8.343 -12.893 1.00 0.00 N ATOM 0 H ASN A 58 121.228 -8.604 -8.661 1.00 0.00 H new ATOM 0 HA ASN A 58 123.769 -9.848 -9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 58 121.814 -8.929 -10.911 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.215 -7.323 -10.333 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.077 -8.266 -13.624 1.00 0.00 H new ATOM 0 HD22 ASN A 58 122.401 -8.545 -13.139 1.00 0.00 H new ATOM 927 N THR A 59 124.862 -8.315 -7.576 1.00 0.00 N ATOM 928 CA THR A 59 125.881 -7.421 -6.954 1.00 0.00 C ATOM 929 C THR A 59 127.106 -8.251 -6.555 1.00 0.00 C ATOM 930 O THR A 59 127.007 -9.425 -6.253 1.00 0.00 O ATOM 931 CB THR A 59 125.202 -6.795 -5.733 1.00 0.00 C ATOM 932 OG1 THR A 59 124.785 -7.823 -4.845 1.00 0.00 O ATOM 933 CG2 THR A 59 123.988 -5.977 -6.177 1.00 0.00 C ATOM 0 H THR A 59 124.694 -9.193 -7.085 1.00 0.00 H new ATOM 0 HA THR A 59 126.229 -6.644 -7.634 1.00 0.00 H new ATOM 0 HB THR A 59 125.909 -6.139 -5.225 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.352 -7.423 -4.062 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.509 -5.534 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.310 -5.186 -6.855 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.279 -6.627 -6.689 1.00 0.00 H new ATOM 941 N LYS A 60 128.265 -7.650 -6.595 1.00 0.00 N ATOM 942 CA LYS A 60 129.525 -8.385 -6.266 1.00 0.00 C ATOM 943 C LYS A 60 129.556 -8.896 -4.820 1.00 0.00 C ATOM 944 O LYS A 60 129.962 -10.013 -4.566 1.00 0.00 O ATOM 945 CB LYS A 60 130.646 -7.369 -6.497 1.00 0.00 C ATOM 946 CG LYS A 60 132.003 -8.043 -6.277 1.00 0.00 C ATOM 947 CD LYS A 60 133.125 -7.034 -6.536 1.00 0.00 C ATOM 948 CE LYS A 60 134.482 -7.707 -6.310 1.00 0.00 C ATOM 949 NZ LYS A 60 134.579 -8.746 -7.371 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.396 -6.670 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 60 129.622 -9.276 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.586 -6.971 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 60 130.533 -6.526 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 60 132.070 -8.424 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 60 132.108 -8.898 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 60 133.060 -6.657 -7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.018 -6.177 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 60 135.297 -6.987 -6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 60 134.542 -8.151 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 135.580 -8.951 -7.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 134.104 -9.614 -7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 134.121 -8.400 -8.238 1.00 0.00 H new ATOM 963 N LEU A 61 129.154 -8.096 -3.869 1.00 0.00 N ATOM 964 CA LEU A 61 129.193 -8.569 -2.449 1.00 0.00 C ATOM 965 C LEU A 61 127.821 -9.074 -1.978 1.00 0.00 C ATOM 966 O LEU A 61 127.663 -9.462 -0.837 1.00 0.00 O ATOM 967 CB LEU A 61 129.630 -7.361 -1.624 1.00 0.00 C ATOM 968 CG LEU A 61 131.068 -6.985 -1.981 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.428 -5.658 -1.307 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.017 -8.082 -1.490 1.00 0.00 C ATOM 0 H LEU A 61 128.804 -7.148 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 61 129.877 -9.410 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 61 128.966 -6.518 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.557 -7.589 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 61 131.161 -6.881 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.453 -5.388 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.751 -4.878 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.337 -5.763 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.043 -7.816 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 61 131.926 -8.185 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.759 -9.027 -1.968 1.00 0.00 H new ATOM 982 N GLN A 62 126.834 -9.079 -2.839 1.00 0.00 N ATOM 983 CA GLN A 62 125.476 -9.569 -2.446 1.00 0.00 C ATOM 984 C GLN A 62 124.941 -8.798 -1.238 1.00 0.00 C ATOM 985 O GLN A 62 124.200 -9.303 -0.419 1.00 0.00 O ATOM 986 CB GLN A 62 125.655 -11.055 -2.110 1.00 0.00 C ATOM 987 CG GLN A 62 126.043 -11.812 -3.383 1.00 0.00 C ATOM 988 CD GLN A 62 126.259 -13.291 -3.058 1.00 0.00 C ATOM 989 OE1 GLN A 62 127.104 -13.634 -2.254 1.00 0.00 O ATOM 990 NE2 GLN A 62 125.526 -14.189 -3.655 1.00 0.00 N ATOM 0 H GLN A 62 126.911 -8.762 -3.805 1.00 0.00 H new ATOM 0 HA GLN A 62 124.752 -9.422 -3.247 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.426 -11.179 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.732 -11.461 -1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.260 -11.705 -4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 62 126.952 -11.387 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 62 124.817 -13.902 -4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 62 125.662 -15.178 -3.447 1.00 0.00 H new ATOM 999 N ASN A 63 125.311 -7.550 -1.169 1.00 0.00 N ATOM 1000 CA ASN A 63 124.849 -6.654 -0.072 1.00 0.00 C ATOM 1001 C ASN A 63 123.843 -5.637 -0.617 1.00 0.00 C ATOM 1002 O ASN A 63 123.980 -4.444 -0.427 1.00 0.00 O ATOM 1003 CB ASN A 63 126.107 -5.945 0.435 1.00 0.00 C ATOM 1004 CG ASN A 63 126.580 -6.607 1.730 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.116 -6.272 2.802 1.00 0.00 O ATOM 1006 ND2 ASN A 63 127.488 -7.541 1.677 1.00 0.00 N ATOM 0 H ASN A 63 125.930 -7.102 -1.845 1.00 0.00 H new ATOM 0 HA ASN A 63 124.351 -7.206 0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.893 -5.993 -0.319 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.897 -4.890 0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 63 127.808 -7.990 2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 63 127.878 -7.823 0.778 1.00 0.00 H new ATOM 1013 N GLY A 64 122.819 -6.111 -1.273 1.00 0.00 N ATOM 1014 CA GLY A 64 121.779 -5.191 -1.810 1.00 0.00 C ATOM 1015 C GLY A 64 120.563 -5.226 -0.881 1.00 0.00 C ATOM 1016 O GLY A 64 120.174 -6.269 -0.392 1.00 0.00 O ATOM 0 H GLY A 64 122.658 -7.101 -1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.172 -4.177 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.493 -5.492 -2.818 1.00 0.00 H new ATOM 1020 N VAL A 65 119.965 -4.096 -0.627 1.00 0.00 N ATOM 1021 CA VAL A 65 118.779 -4.076 0.277 1.00 0.00 C ATOM 1022 C VAL A 65 117.583 -3.454 -0.449 1.00 0.00 C ATOM 1023 O VAL A 65 117.691 -2.426 -1.078 1.00 0.00 O ATOM 1024 CB VAL A 65 119.208 -3.215 1.481 1.00 0.00 C ATOM 1025 CG1 VAL A 65 118.001 -2.881 2.372 1.00 0.00 C ATOM 1026 CG2 VAL A 65 120.243 -3.975 2.311 1.00 0.00 C ATOM 0 H VAL A 65 120.243 -3.190 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 65 118.472 -5.074 0.591 1.00 0.00 H new ATOM 0 HB VAL A 65 119.636 -2.287 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.328 -2.273 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 65 117.262 -2.329 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.555 -3.804 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.546 -3.365 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.808 -4.908 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 65 121.114 -4.194 1.694 1.00 0.00 H new ATOM 1036 N LEU A 66 116.440 -4.070 -0.359 1.00 0.00 N ATOM 1037 CA LEU A 66 115.239 -3.511 -1.036 1.00 0.00 C ATOM 1038 C LEU A 66 114.190 -3.149 0.007 1.00 0.00 C ATOM 1039 O LEU A 66 113.891 -3.930 0.891 1.00 0.00 O ATOM 1040 CB LEU A 66 114.719 -4.659 -1.888 1.00 0.00 C ATOM 1041 CG LEU A 66 113.396 -4.270 -2.570 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.562 -2.978 -3.375 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.961 -5.396 -3.515 1.00 0.00 C ATOM 0 H LEU A 66 116.285 -4.937 0.155 1.00 0.00 H new ATOM 0 HA LEU A 66 115.463 -2.616 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.460 -4.924 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.568 -5.541 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 66 112.641 -4.112 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.615 -2.721 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.865 -2.171 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.324 -3.122 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 66 112.024 -5.123 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.729 -5.552 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.821 -6.315 -2.946 1.00 0.00 H new ATOM 1055 N ILE A 67 113.622 -1.985 -0.094 1.00 0.00 N ATOM 1056 CA ILE A 67 112.583 -1.606 0.900 1.00 0.00 C ATOM 1057 C ILE A 67 111.198 -1.715 0.254 1.00 0.00 C ATOM 1058 O ILE A 67 110.828 -0.926 -0.590 1.00 0.00 O ATOM 1059 CB ILE A 67 112.912 -0.170 1.304 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.271 -0.142 2.013 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.832 0.348 2.254 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.789 1.297 2.090 1.00 0.00 C ATOM 0 H ILE A 67 113.826 -1.288 -0.810 1.00 0.00 H new ATOM 0 HA ILE A 67 112.572 -2.256 1.775 1.00 0.00 H new ATOM 0 HB ILE A 67 112.950 0.461 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.176 -0.558 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.985 -0.766 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 67 112.064 1.373 2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.864 0.323 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.797 -0.282 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.755 1.309 2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.901 1.698 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 67 114.080 1.909 2.647 1.00 0.00 H new ATOM 1074 N TYR A 68 110.434 -2.700 0.644 1.00 0.00 N ATOM 1075 CA TYR A 68 109.078 -2.876 0.049 1.00 0.00 C ATOM 1076 C TYR A 68 108.027 -2.216 0.939 1.00 0.00 C ATOM 1077 O TYR A 68 107.887 -2.542 2.098 1.00 0.00 O ATOM 1078 CB TYR A 68 108.861 -4.389 0.006 1.00 0.00 C ATOM 1079 CG TYR A 68 107.519 -4.686 -0.621 1.00 0.00 C ATOM 1080 CD1 TYR A 68 107.409 -4.831 -2.010 1.00 0.00 C ATOM 1081 CD2 TYR A 68 106.382 -4.816 0.185 1.00 0.00 C ATOM 1082 CE1 TYR A 68 106.164 -5.107 -2.590 1.00 0.00 C ATOM 1083 CE2 TYR A 68 105.138 -5.090 -0.397 1.00 0.00 C ATOM 1084 CZ TYR A 68 105.030 -5.235 -1.782 1.00 0.00 C ATOM 1085 OH TYR A 68 103.803 -5.507 -2.352 1.00 0.00 O ATOM 0 H TYR A 68 110.691 -3.391 1.349 1.00 0.00 H new ATOM 0 HA TYR A 68 108.996 -2.421 -0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.656 -4.865 -0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.903 -4.802 1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 68 108.285 -4.730 -2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 68 106.464 -4.705 1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 68 106.080 -5.221 -3.661 1.00 0.00 H new ATOM 0 HE2 TYR A 68 104.261 -5.189 0.226 1.00 0.00 H new ATOM 0 HH TYR A 68 103.883 -5.483 -3.328 1.00 0.00 H new ATOM 1095 N VAL A 69 107.298 -1.279 0.407 1.00 0.00 N ATOM 1096 CA VAL A 69 106.267 -0.583 1.226 1.00 0.00 C ATOM 1097 C VAL A 69 104.870 -0.759 0.611 1.00 0.00 C ATOM 1098 O VAL A 69 104.651 -0.533 -0.562 1.00 0.00 O ATOM 1099 CB VAL A 69 106.709 0.890 1.222 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.611 1.790 1.809 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.975 1.035 2.071 1.00 0.00 C ATOM 0 H VAL A 69 107.370 -0.963 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 69 106.192 -0.982 2.238 1.00 0.00 H new ATOM 0 HB VAL A 69 106.901 1.194 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.945 2.827 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.704 1.694 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.403 1.488 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.294 2.077 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.766 0.718 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.767 0.414 1.653 1.00 0.00 H new ATOM 1111 N ALA A 70 103.928 -1.147 1.428 1.00 0.00 N ATOM 1112 CA ALA A 70 102.524 -1.333 0.966 1.00 0.00 C ATOM 1113 C ALA A 70 101.708 -0.096 1.352 1.00 0.00 C ATOM 1114 O ALA A 70 101.357 0.076 2.501 1.00 0.00 O ATOM 1115 CB ALA A 70 102.025 -2.553 1.744 1.00 0.00 C ATOM 0 H ALA A 70 104.077 -1.347 2.417 1.00 0.00 H new ATOM 0 HA ALA A 70 102.440 -1.470 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.993 -2.765 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.649 -3.415 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 70 102.078 -2.349 2.813 1.00 0.00 H new ATOM 1121 N VAL A 71 101.420 0.776 0.423 1.00 0.00 N ATOM 1122 CA VAL A 71 100.645 2.000 0.790 1.00 0.00 C ATOM 1123 C VAL A 71 99.179 1.655 1.091 1.00 0.00 C ATOM 1124 O VAL A 71 98.492 2.417 1.743 1.00 0.00 O ATOM 1125 CB VAL A 71 100.743 2.945 -0.412 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.213 3.226 -0.732 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.066 2.294 -1.620 1.00 0.00 C ATOM 0 H VAL A 71 101.682 0.698 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 71 101.047 2.462 1.692 1.00 0.00 H new ATOM 0 HB VAL A 71 100.245 3.886 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.277 3.898 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.691 3.690 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 71 102.719 2.290 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.133 2.962 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.564 1.353 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.018 2.102 -1.390 1.00 0.00 H new ATOM 1137 N GLU A 72 98.685 0.519 0.654 1.00 0.00 N ATOM 1138 CA GLU A 72 97.262 0.176 0.971 1.00 0.00 C ATOM 1139 C GLU A 72 97.136 -0.135 2.465 1.00 0.00 C ATOM 1140 O GLU A 72 96.254 0.360 3.138 1.00 0.00 O ATOM 1141 CB GLU A 72 96.936 -1.058 0.129 1.00 0.00 C ATOM 1142 CG GLU A 72 97.011 -0.696 -1.355 1.00 0.00 C ATOM 1143 CD GLU A 72 95.930 0.334 -1.688 1.00 0.00 C ATOM 1144 OE1 GLU A 72 94.990 0.451 -0.918 1.00 0.00 O ATOM 1145 OE2 GLU A 72 96.060 0.988 -2.710 1.00 0.00 O1- ATOM 0 H GLU A 72 99.194 -0.172 0.103 1.00 0.00 H new ATOM 0 HA GLU A 72 96.577 0.994 0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.638 -1.861 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.940 -1.427 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.996 -0.294 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.876 -1.589 -1.965 1.00 0.00 H new ATOM 1152 N ASP A 73 98.021 -0.932 2.996 1.00 0.00 N ATOM 1153 CA ASP A 73 97.957 -1.243 4.454 1.00 0.00 C ATOM 1154 C ASP A 73 99.002 -0.417 5.226 1.00 0.00 C ATOM 1155 O ASP A 73 99.176 -0.585 6.417 1.00 0.00 O ATOM 1156 CB ASP A 73 98.273 -2.735 4.567 1.00 0.00 C ATOM 1157 CG ASP A 73 97.180 -3.555 3.876 1.00 0.00 C ATOM 1158 OD1 ASP A 73 96.137 -2.995 3.582 1.00 0.00 O ATOM 1159 OD2 ASP A 73 97.407 -4.734 3.653 1.00 0.00 O1- ATOM 0 H ASP A 73 98.783 -1.380 2.487 1.00 0.00 H new ATOM 0 HA ASP A 73 96.982 -1.001 4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.240 -2.946 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.346 -3.021 5.616 1.00 0.00 H new ATOM 1164 N LYS A 74 99.703 0.472 4.563 1.00 0.00 N ATOM 1165 CA LYS A 74 100.728 1.288 5.266 1.00 0.00 C ATOM 1166 C LYS A 74 101.715 0.387 6.013 1.00 0.00 C ATOM 1167 O LYS A 74 102.035 0.622 7.162 1.00 0.00 O ATOM 1168 CB LYS A 74 99.944 2.159 6.249 1.00 0.00 C ATOM 1169 CG LYS A 74 100.462 3.594 6.146 1.00 0.00 C ATOM 1170 CD LYS A 74 99.608 4.526 7.002 1.00 0.00 C ATOM 1171 CE LYS A 74 100.153 5.951 6.889 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.267 6.776 7.751 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.605 0.663 3.566 1.00 0.00 H new ATOM 0 HA LYS A 74 101.316 1.888 4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.879 2.124 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.064 1.785 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.501 3.638 6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.441 3.922 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.570 4.493 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.622 4.200 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.189 6.004 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.133 6.299 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.580 7.767 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.288 6.712 7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.311 6.426 8.729 1.00 0.00 H new ATOM 1186 N THR A 75 102.211 -0.638 5.373 1.00 0.00 N ATOM 1187 CA THR A 75 103.184 -1.538 6.057 1.00 0.00 C ATOM 1188 C THR A 75 104.502 -1.563 5.276 1.00 0.00 C ATOM 1189 O THR A 75 104.521 -1.667 4.066 1.00 0.00 O ATOM 1190 CB THR A 75 102.546 -2.928 6.070 1.00 0.00 C ATOM 1191 OG1 THR A 75 101.294 -2.879 6.758 1.00 0.00 O ATOM 1192 CG2 THR A 75 103.509 -3.912 6.763 1.00 0.00 C ATOM 0 H THR A 75 101.986 -0.890 4.411 1.00 0.00 H new ATOM 0 HA THR A 75 103.405 -1.199 7.069 1.00 0.00 H new ATOM 0 HB THR A 75 102.362 -3.265 5.050 1.00 0.00 H new ATOM 0 HG1 THR A 75 100.888 -3.771 6.762 1.00 0.00 H new ATOM 0 HG21 THR A 75 103.064 -4.907 6.778 1.00 0.00 H new ATOM 0 HG22 THR A 75 104.452 -3.944 6.217 1.00 0.00 H new ATOM 0 HG23 THR A 75 103.693 -3.582 7.785 1.00 0.00 H new ATOM 1200 N PHE A 76 105.601 -1.469 5.967 1.00 0.00 N ATOM 1201 CA PHE A 76 106.924 -1.486 5.282 1.00 0.00 C ATOM 1202 C PHE A 76 107.681 -2.777 5.638 1.00 0.00 C ATOM 1203 O PHE A 76 107.765 -3.159 6.788 1.00 0.00 O ATOM 1204 CB PHE A 76 107.657 -0.235 5.818 1.00 0.00 C ATOM 1205 CG PHE A 76 108.031 -0.414 7.277 1.00 0.00 C ATOM 1206 CD1 PHE A 76 107.122 -0.087 8.292 1.00 0.00 C ATOM 1207 CD2 PHE A 76 109.287 -0.935 7.605 1.00 0.00 C ATOM 1208 CE1 PHE A 76 107.476 -0.280 9.632 1.00 0.00 C ATOM 1209 CE2 PHE A 76 109.642 -1.123 8.942 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.734 -0.801 9.958 1.00 0.00 C ATOM 0 H PHE A 76 105.642 -1.381 6.982 1.00 0.00 H new ATOM 0 HA PHE A 76 106.842 -1.467 4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.555 -0.053 5.227 1.00 0.00 H new ATOM 0 HB3 PHE A 76 107.019 0.642 5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 76 106.151 0.313 8.041 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.984 -1.193 6.822 1.00 0.00 H new ATOM 0 HE1 PHE A 76 106.778 -0.027 10.416 1.00 0.00 H new ATOM 0 HE2 PHE A 76 110.616 -1.516 9.192 1.00 0.00 H new ATOM 0 HZ PHE A 76 109.004 -0.954 10.992 1.00 0.00 H new ATOM 1220 N VAL A 77 108.250 -3.437 4.670 1.00 0.00 N ATOM 1221 CA VAL A 77 109.013 -4.675 4.969 1.00 0.00 C ATOM 1222 C VAL A 77 110.407 -4.533 4.355 1.00 0.00 C ATOM 1223 O VAL A 77 110.532 -4.087 3.229 1.00 0.00 O ATOM 1224 CB VAL A 77 108.213 -5.796 4.292 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.028 -7.096 4.265 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.923 -6.031 5.080 1.00 0.00 C ATOM 0 H VAL A 77 108.219 -3.172 3.686 1.00 0.00 H new ATOM 0 HA VAL A 77 109.139 -4.875 6.033 1.00 0.00 H new ATOM 0 HB VAL A 77 107.985 -5.501 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.446 -7.880 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 77 109.952 -6.935 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.266 -7.397 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.347 -6.826 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.168 -6.320 6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.333 -5.115 5.094 1.00 0.00 H new ATOM 1236 N ILE A 78 111.450 -4.887 5.055 1.00 0.00 N ATOM 1237 CA ILE A 78 112.806 -4.743 4.454 1.00 0.00 C ATOM 1238 C ILE A 78 113.457 -6.120 4.247 1.00 0.00 C ATOM 1239 O ILE A 78 113.525 -6.938 5.144 1.00 0.00 O ATOM 1240 CB ILE A 78 113.602 -3.887 5.437 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.890 -2.543 5.622 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.000 -3.637 4.865 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.564 -1.759 6.749 1.00 0.00 C ATOM 0 H ILE A 78 111.424 -5.264 6.002 1.00 0.00 H new ATOM 0 HA ILE A 78 112.768 -4.277 3.469 1.00 0.00 H new ATOM 0 HB ILE A 78 113.680 -4.400 6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 78 112.925 -1.970 4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.838 -2.706 5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.574 -3.026 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.507 -4.590 4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 78 114.915 -3.117 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 78 113.057 -0.803 6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.506 -2.331 7.675 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.610 -1.584 6.496 1.00 0.00 H new ATOM 1255 N TYR A 79 113.923 -6.370 3.052 1.00 0.00 N ATOM 1256 CA TYR A 79 114.567 -7.681 2.738 1.00 0.00 C ATOM 1257 C TYR A 79 115.892 -7.466 2.004 1.00 0.00 C ATOM 1258 O TYR A 79 115.923 -6.996 0.884 1.00 0.00 O ATOM 1259 CB TYR A 79 113.573 -8.410 1.832 1.00 0.00 C ATOM 1260 CG TYR A 79 114.154 -9.739 1.401 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.313 -10.773 2.335 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.527 -9.942 0.065 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.844 -12.005 1.931 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.058 -11.172 -0.336 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.217 -12.204 0.597 1.00 0.00 C ATOM 1266 OH TYR A 79 115.738 -13.419 0.199 1.00 0.00 O ATOM 0 H TYR A 79 113.885 -5.715 2.271 1.00 0.00 H new ATOM 0 HA TYR A 79 114.792 -8.248 3.641 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.633 -8.568 2.360 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.349 -7.800 0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.026 -10.620 3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.404 -9.147 -0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.966 -12.802 2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.346 -11.326 -1.366 1.00 0.00 H new ATOM 0 HH TYR A 79 115.943 -13.389 -0.759 1.00 0.00 H new ATOM 1276 N GLY A 80 116.984 -7.816 2.621 1.00 0.00 N ATOM 1277 CA GLY A 80 118.298 -7.639 1.950 1.00 0.00 C ATOM 1278 C GLY A 80 118.772 -8.984 1.400 1.00 0.00 C ATOM 1279 O GLY A 80 118.139 -10.005 1.582 1.00 0.00 O ATOM 0 H GLY A 80 117.023 -8.216 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.211 -6.913 1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.029 -7.244 2.656 1.00 0.00 H new ATOM 1283 N ASP A 81 119.883 -8.982 0.726 1.00 0.00 N ATOM 1284 CA ASP A 81 120.407 -10.255 0.156 1.00 0.00 C ATOM 1285 C ASP A 81 121.173 -11.038 1.217 1.00 0.00 C ATOM 1286 O ASP A 81 121.275 -10.631 2.355 1.00 0.00 O ATOM 1287 CB ASP A 81 121.338 -9.846 -0.985 1.00 0.00 C ATOM 1288 CG ASP A 81 120.512 -9.399 -2.191 1.00 0.00 C ATOM 1289 OD1 ASP A 81 119.325 -9.676 -2.207 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 121.083 -8.792 -3.083 1.00 0.00 O ATOM 0 H ASP A 81 120.453 -8.156 0.543 1.00 0.00 H new ATOM 0 HA ASP A 81 119.602 -10.900 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 81 121.992 -9.037 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 81 121.979 -10.683 -1.262 1.00 0.00 H new ATOM 1295 N LYS A 82 121.711 -12.163 0.848 1.00 0.00 N ATOM 1296 CA LYS A 82 122.471 -12.974 1.830 1.00 0.00 C ATOM 1297 C LYS A 82 123.688 -12.185 2.316 1.00 0.00 C ATOM 1298 O LYS A 82 124.219 -12.437 3.376 1.00 0.00 O ATOM 1299 CB LYS A 82 122.899 -14.227 1.064 1.00 0.00 C ATOM 1300 CG LYS A 82 121.660 -15.063 0.740 1.00 0.00 C ATOM 1301 CD LYS A 82 122.070 -16.313 -0.041 1.00 0.00 C ATOM 1302 CE LYS A 82 120.835 -17.177 -0.295 1.00 0.00 C ATOM 1303 NZ LYS A 82 121.333 -18.340 -1.080 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.657 -12.555 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 82 121.883 -13.228 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.415 -13.948 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.601 -14.810 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 82 121.151 -15.349 1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.954 -14.473 0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.531 -16.030 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.815 -16.878 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 82 120.379 -17.499 0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 82 120.074 -16.625 -0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.541 -18.980 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.755 -18.004 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 122.051 -18.850 -0.527 1.00 0.00 H new ATOM 1317 N GLY A 83 124.145 -11.237 1.542 1.00 0.00 N ATOM 1318 CA GLY A 83 125.342 -10.456 1.962 1.00 0.00 C ATOM 1319 C GLY A 83 125.049 -9.633 3.218 1.00 0.00 C ATOM 1320 O GLY A 83 125.748 -9.750 4.211 1.00 0.00 O ATOM 0 H GLY A 83 123.743 -10.972 0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.174 -11.134 2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 83 125.650 -9.794 1.153 1.00 0.00 H new ATOM 1324 N ILE A 84 124.020 -8.821 3.215 1.00 0.00 N ATOM 1325 CA ILE A 84 123.718 -8.034 4.446 1.00 0.00 C ATOM 1326 C ILE A 84 123.299 -9.006 5.552 1.00 0.00 C ATOM 1327 O ILE A 84 123.722 -8.894 6.680 1.00 0.00 O ATOM 1328 CB ILE A 84 122.577 -7.083 4.065 1.00 0.00 C ATOM 1329 CG1 ILE A 84 122.978 -6.276 2.828 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.297 -6.118 5.218 1.00 0.00 C ATOM 1331 CD1 ILE A 84 121.983 -6.549 1.704 1.00 0.00 C ATOM 0 H ILE A 84 123.388 -8.672 2.428 1.00 0.00 H new ATOM 0 HA ILE A 84 124.572 -7.466 4.814 1.00 0.00 H new ATOM 0 HB ILE A 84 121.682 -7.668 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 84 122.995 -5.212 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 84 123.985 -6.549 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.485 -5.445 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.012 -6.684 6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.194 -5.536 5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.265 -5.976 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.988 -7.612 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 84 120.983 -6.254 2.023 1.00 0.00 H new ATOM 1343 N ASN A 85 122.440 -9.938 5.245 1.00 0.00 N ATOM 1344 CA ASN A 85 121.958 -10.877 6.298 1.00 0.00 C ATOM 1345 C ASN A 85 123.108 -11.700 6.886 1.00 0.00 C ATOM 1346 O ASN A 85 123.137 -11.974 8.069 1.00 0.00 O ATOM 1347 CB ASN A 85 120.952 -11.786 5.591 1.00 0.00 C ATOM 1348 CG ASN A 85 120.391 -12.809 6.582 1.00 0.00 C ATOM 1349 OD1 ASN A 85 121.119 -13.626 7.109 1.00 0.00 O ATOM 1350 ND2 ASN A 85 119.115 -12.800 6.857 1.00 0.00 N ATOM 0 H ASN A 85 122.052 -10.090 4.314 1.00 0.00 H new ATOM 0 HA ASN A 85 121.513 -10.341 7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 85 120.141 -11.190 5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 85 121.434 -12.299 4.759 1.00 0.00 H new ATOM 0 HD21 ASN A 85 118.730 -13.479 7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 85 118.503 -12.114 6.415 1.00 0.00 H new ATOM 1357 N ASP A 86 124.054 -12.102 6.082 1.00 0.00 N ATOM 1358 CA ASP A 86 125.188 -12.913 6.613 1.00 0.00 C ATOM 1359 C ASP A 86 126.191 -12.054 7.396 1.00 0.00 C ATOM 1360 O ASP A 86 126.965 -12.565 8.180 1.00 0.00 O ATOM 1361 CB ASP A 86 125.866 -13.491 5.365 1.00 0.00 C ATOM 1362 CG ASP A 86 124.989 -14.590 4.755 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.052 -15.013 5.413 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 125.266 -14.986 3.635 1.00 0.00 O ATOM 0 H ASP A 86 124.091 -11.905 5.082 1.00 0.00 H new ATOM 0 HA ASP A 86 124.835 -13.676 7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.035 -12.701 4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 86 126.843 -13.897 5.627 1.00 0.00 H new ATOM 1369 N VAL A 87 126.212 -10.763 7.176 1.00 0.00 N ATOM 1370 CA VAL A 87 127.204 -9.913 7.905 1.00 0.00 C ATOM 1371 C VAL A 87 126.561 -9.125 9.064 1.00 0.00 C ATOM 1372 O VAL A 87 127.244 -8.718 9.985 1.00 0.00 O ATOM 1373 CB VAL A 87 127.772 -8.966 6.835 1.00 0.00 C ATOM 1374 CG1 VAL A 87 126.707 -7.956 6.397 1.00 0.00 C ATOM 1375 CG2 VAL A 87 128.977 -8.214 7.402 1.00 0.00 C ATOM 0 H VAL A 87 125.595 -10.266 6.533 1.00 0.00 H new ATOM 0 HA VAL A 87 127.977 -10.521 8.375 1.00 0.00 H new ATOM 0 HB VAL A 87 128.078 -9.558 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.124 -7.293 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 87 125.850 -8.487 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.387 -7.368 7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.378 -7.543 6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.668 -7.634 8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.745 -8.928 7.698 1.00 0.00 H new ATOM 1385 N VAL A 88 125.267 -8.902 9.045 1.00 0.00 N ATOM 1386 CA VAL A 88 124.640 -8.140 10.175 1.00 0.00 C ATOM 1387 C VAL A 88 123.561 -8.973 10.872 1.00 0.00 C ATOM 1388 O VAL A 88 123.090 -9.965 10.350 1.00 0.00 O ATOM 1389 CB VAL A 88 124.030 -6.874 9.565 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.113 -6.086 8.828 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.903 -7.240 8.600 1.00 0.00 C ATOM 0 H VAL A 88 124.628 -9.208 8.311 1.00 0.00 H new ATOM 0 HA VAL A 88 125.385 -7.895 10.932 1.00 0.00 H new ATOM 0 HB VAL A 88 123.617 -6.259 10.365 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.677 -5.186 8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 88 125.900 -5.807 9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.535 -6.703 8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.479 -6.331 8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.298 -7.865 7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.127 -7.785 9.137 1.00 0.00 H new ATOM 1401 N SER A 89 123.190 -8.593 12.061 1.00 0.00 N ATOM 1402 CA SER A 89 122.167 -9.374 12.816 1.00 0.00 C ATOM 1403 C SER A 89 120.800 -8.681 12.824 1.00 0.00 C ATOM 1404 O SER A 89 120.631 -7.588 12.314 1.00 0.00 O ATOM 1405 CB SER A 89 122.725 -9.463 14.235 1.00 0.00 C ATOM 1406 OG SER A 89 122.382 -8.283 14.948 1.00 0.00 O ATOM 0 H SER A 89 123.551 -7.772 12.546 1.00 0.00 H new ATOM 0 HA SER A 89 121.998 -10.350 12.360 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.321 -10.339 14.743 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.808 -9.582 14.206 1.00 0.00 H new ATOM 0 HG SER A 89 122.737 -8.337 15.860 1.00 0.00 H new ATOM 1412 N ASP A 90 119.829 -9.316 13.422 1.00 0.00 N ATOM 1413 CA ASP A 90 118.468 -8.715 13.492 1.00 0.00 C ATOM 1414 C ASP A 90 118.531 -7.402 14.274 1.00 0.00 C ATOM 1415 O ASP A 90 117.842 -6.449 13.965 1.00 0.00 O ATOM 1416 CB ASP A 90 117.624 -9.754 14.237 1.00 0.00 C ATOM 1417 CG ASP A 90 117.098 -10.808 13.252 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.273 -10.622 12.058 1.00 0.00 O1- ATOM 1419 OD2 ASP A 90 116.521 -11.780 13.712 1.00 0.00 O ATOM 0 H ASP A 90 119.921 -10.229 13.867 1.00 0.00 H new ATOM 0 HA ASP A 90 118.051 -8.485 12.512 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.223 -10.234 15.011 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.789 -9.264 14.739 1.00 0.00 H new ATOM 1424 N ASP A 91 119.362 -7.339 15.278 1.00 0.00 N ATOM 1425 CA ASP A 91 119.475 -6.080 16.063 1.00 0.00 C ATOM 1426 C ASP A 91 120.008 -4.981 15.141 1.00 0.00 C ATOM 1427 O ASP A 91 119.573 -3.846 15.195 1.00 0.00 O ATOM 1428 CB ASP A 91 120.460 -6.391 17.190 1.00 0.00 C ATOM 1429 CG ASP A 91 119.721 -7.043 18.367 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.504 -7.129 18.313 1.00 0.00 O ATOM 1431 OD2 ASP A 91 120.390 -7.451 19.303 1.00 0.00 O1- ATOM 0 H ASP A 91 119.965 -8.102 15.587 1.00 0.00 H new ATOM 0 HA ASP A 91 118.524 -5.736 16.470 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.242 -7.057 16.827 1.00 0.00 H new ATOM 0 HB3 ASP A 91 120.949 -5.475 17.520 1.00 0.00 H new ATOM 1436 N PHE A 92 120.907 -5.317 14.256 1.00 0.00 N ATOM 1437 CA PHE A 92 121.405 -4.297 13.294 1.00 0.00 C ATOM 1438 C PHE A 92 120.247 -3.887 12.371 1.00 0.00 C ATOM 1439 O PHE A 92 120.231 -2.808 11.811 1.00 0.00 O ATOM 1440 CB PHE A 92 122.545 -4.963 12.517 1.00 0.00 C ATOM 1441 CG PHE A 92 123.008 -4.047 11.408 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.028 -3.114 11.641 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.411 -4.128 10.145 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.449 -2.266 10.608 1.00 0.00 C ATOM 1445 CE2 PHE A 92 122.833 -3.280 9.113 1.00 0.00 C ATOM 1446 CZ PHE A 92 123.851 -2.349 9.345 1.00 0.00 C ATOM 0 H PHE A 92 121.315 -6.247 14.159 1.00 0.00 H new ATOM 0 HA PHE A 92 121.769 -3.393 13.783 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.374 -5.185 13.188 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.208 -5.913 12.101 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.489 -3.049 12.616 1.00 0.00 H new ATOM 0 HD2 PHE A 92 121.624 -4.845 9.966 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.236 -1.548 10.786 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.372 -3.345 8.138 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.176 -1.694 8.550 1.00 0.00 H new ATOM 1456 N TRP A 93 119.271 -4.755 12.217 1.00 0.00 N ATOM 1457 CA TRP A 93 118.101 -4.449 11.343 1.00 0.00 C ATOM 1458 C TRP A 93 117.012 -3.697 12.131 1.00 0.00 C ATOM 1459 O TRP A 93 116.212 -2.962 11.579 1.00 0.00 O ATOM 1460 CB TRP A 93 117.585 -5.828 10.928 1.00 0.00 C ATOM 1461 CG TRP A 93 118.206 -6.234 9.629 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.470 -6.691 9.477 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.608 -6.239 8.304 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.686 -6.967 8.138 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.567 -6.703 7.374 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.337 -5.884 7.826 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.273 -6.810 6.013 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.037 -5.993 6.462 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.001 -6.452 5.557 1.00 0.00 C ATOM 0 H TRP A 93 119.240 -5.670 12.666 1.00 0.00 H new ATOM 0 HA TRP A 93 118.368 -3.816 10.497 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.821 -6.561 11.699 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.500 -5.806 10.831 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.192 -6.819 10.270 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.565 -7.322 7.762 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.586 -5.525 8.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.021 -7.166 5.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.054 -5.721 6.106 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.762 -6.530 4.507 1.00 0.00 H new ATOM 1480 N ASP A 94 116.951 -3.931 13.418 1.00 0.00 N ATOM 1481 CA ASP A 94 115.885 -3.303 14.256 1.00 0.00 C ATOM 1482 C ASP A 94 115.896 -1.775 14.162 1.00 0.00 C ATOM 1483 O ASP A 94 114.849 -1.155 14.190 1.00 0.00 O ATOM 1484 CB ASP A 94 116.183 -3.757 15.689 1.00 0.00 C ATOM 1485 CG ASP A 94 115.094 -3.247 16.640 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.313 -2.406 16.225 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 115.062 -3.706 17.771 1.00 0.00 O ATOM 0 H ASP A 94 117.598 -4.534 13.927 1.00 0.00 H new ATOM 0 HA ASP A 94 114.895 -3.608 13.917 1.00 0.00 H new ATOM 0 HB2 ASP A 94 116.233 -4.845 15.731 1.00 0.00 H new ATOM 0 HB3 ASP A 94 117.157 -3.381 16.003 1.00 0.00 H new ATOM 1492 N THR A 95 117.043 -1.150 14.071 1.00 0.00 N ATOM 1493 CA THR A 95 117.046 0.343 13.998 1.00 0.00 C ATOM 1494 C THR A 95 116.421 0.788 12.670 1.00 0.00 C ATOM 1495 O THR A 95 115.774 1.813 12.570 1.00 0.00 O ATOM 1496 CB THR A 95 118.514 0.752 14.097 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.250 0.121 13.058 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.068 0.316 15.454 1.00 0.00 C ATOM 0 H THR A 95 117.959 -1.597 14.044 1.00 0.00 H new ATOM 0 HA THR A 95 116.463 0.809 14.793 1.00 0.00 H new ATOM 0 HB THR A 95 118.602 1.834 13.998 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.192 0.383 13.119 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.116 0.606 15.529 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.500 0.797 16.250 1.00 0.00 H new ATOM 0 HG23 THR A 95 118.983 -0.766 15.551 1.00 0.00 H new ATOM 1506 N THR A 96 116.623 -0.010 11.656 1.00 0.00 N ATOM 1507 CA THR A 96 116.070 0.286 10.296 1.00 0.00 C ATOM 1508 C THR A 96 114.550 0.389 10.348 1.00 0.00 C ATOM 1509 O THR A 96 113.935 1.302 9.828 1.00 0.00 O ATOM 1510 CB THR A 96 116.428 -0.968 9.489 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.781 -1.313 9.745 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.252 -0.685 7.995 1.00 0.00 C ATOM 0 H THR A 96 117.160 -0.875 11.712 1.00 0.00 H new ATOM 0 HA THR A 96 116.458 1.219 9.887 1.00 0.00 H new ATOM 0 HB THR A 96 115.774 -1.790 9.781 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.064 -2.012 9.119 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.507 -1.577 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.216 -0.410 7.796 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.908 0.134 7.700 1.00 0.00 H new ATOM 1520 N ARG A 97 113.955 -0.581 10.987 1.00 0.00 N ATOM 1521 CA ARG A 97 112.474 -0.634 11.118 1.00 0.00 C ATOM 1522 C ARG A 97 111.943 0.470 12.030 1.00 0.00 C ATOM 1523 O ARG A 97 110.894 1.030 11.777 1.00 0.00 O ATOM 1524 CB ARG A 97 112.198 -2.003 11.737 1.00 0.00 C ATOM 1525 CG ARG A 97 112.487 -3.096 10.709 1.00 0.00 C ATOM 1526 CD ARG A 97 112.287 -4.465 11.356 1.00 0.00 C ATOM 1527 NE ARG A 97 112.541 -5.443 10.264 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.526 -6.721 10.519 1.00 0.00 C ATOM 1529 NH1 ARG A 97 113.336 -7.215 11.415 1.00 0.00 N1+ ATOM 1530 NH2 ARG A 97 111.697 -7.503 9.885 1.00 0.00 N ATOM 0 H ARG A 97 114.446 -1.356 11.433 1.00 0.00 H new ATOM 0 HA ARG A 97 111.982 -0.489 10.156 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.820 -2.146 12.620 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.160 -2.063 12.065 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.825 -2.987 9.850 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.508 -3.002 10.339 1.00 0.00 H new ATOM 0 HD2 ARG A 97 112.975 -4.614 12.188 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.278 -4.570 11.755 1.00 0.00 H new ATOM 0 HE ARG A 97 112.727 -5.114 9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 97 113.979 -6.601 11.915 1.00 0.00 H new ATOM 0 HH12 ARG A 97 113.326 -8.215 11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 97 111.060 -7.114 9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 97 111.685 -8.503 10.085 1.00 0.00 H new ATOM 1544 N ASN A 98 112.632 0.779 13.096 1.00 0.00 N ATOM 1545 CA ASN A 98 112.115 1.838 14.012 1.00 0.00 C ATOM 1546 C ASN A 98 112.073 3.196 13.301 1.00 0.00 C ATOM 1547 O ASN A 98 111.100 3.917 13.398 1.00 0.00 O ATOM 1548 CB ASN A 98 113.079 1.864 15.199 1.00 0.00 C ATOM 1549 CG ASN A 98 112.784 0.685 16.129 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.748 0.058 16.027 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.657 0.358 17.042 1.00 0.00 N ATOM 0 H ASN A 98 113.517 0.352 13.370 1.00 0.00 H new ATOM 0 HA ASN A 98 111.095 1.631 14.336 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.109 1.812 14.845 1.00 0.00 H new ATOM 0 HB3 ASN A 98 112.976 2.803 15.743 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.470 -0.424 17.670 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.527 0.884 17.128 1.00 0.00 H new ATOM 1558 N ALA A 99 113.103 3.558 12.581 1.00 0.00 N ATOM 1559 CA ALA A 99 113.087 4.872 11.870 1.00 0.00 C ATOM 1560 C ALA A 99 111.958 4.922 10.836 1.00 0.00 C ATOM 1561 O ALA A 99 111.183 5.859 10.797 1.00 0.00 O ATOM 1562 CB ALA A 99 114.443 4.950 11.167 1.00 0.00 C ATOM 0 H ALA A 99 113.950 3.004 12.455 1.00 0.00 H new ATOM 0 HA ALA A 99 112.920 5.702 12.557 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.515 5.889 10.618 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.241 4.901 11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.541 4.116 10.473 1.00 0.00 H new ATOM 1568 N ILE A 100 111.848 3.922 10.005 1.00 0.00 N ATOM 1569 CA ILE A 100 110.758 3.925 8.986 1.00 0.00 C ATOM 1570 C ILE A 100 109.389 3.795 9.671 1.00 0.00 C ATOM 1571 O ILE A 100 108.444 4.463 9.315 1.00 0.00 O ATOM 1572 CB ILE A 100 111.045 2.719 8.081 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.337 2.963 7.293 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.893 2.529 7.090 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.740 1.678 6.566 1.00 0.00 C ATOM 0 H ILE A 100 112.461 3.107 9.986 1.00 0.00 H new ATOM 0 HA ILE A 100 110.730 4.852 8.413 1.00 0.00 H new ATOM 0 HB ILE A 100 111.150 1.829 8.701 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.191 3.770 6.575 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.133 3.277 7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.101 1.672 6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 100 108.967 2.356 7.638 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.790 3.424 6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.659 1.850 6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 100 112.903 0.884 7.294 1.00 0.00 H new ATOM 0 HD13 ILE A 100 111.946 1.384 5.880 1.00 0.00 H new ATOM 1587 N GLN A 101 109.275 2.941 10.650 1.00 0.00 N ATOM 1588 CA GLN A 101 107.959 2.777 11.337 1.00 0.00 C ATOM 1589 C GLN A 101 107.547 4.074 12.041 1.00 0.00 C ATOM 1590 O GLN A 101 106.392 4.449 12.039 1.00 0.00 O ATOM 1591 CB GLN A 101 108.171 1.658 12.359 1.00 0.00 C ATOM 1592 CG GLN A 101 106.841 1.334 13.045 1.00 0.00 C ATOM 1593 CD GLN A 101 107.041 0.188 14.039 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.011 0.164 14.770 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.156 -0.772 14.099 1.00 0.00 N ATOM 0 H GLN A 101 110.029 2.352 11.004 1.00 0.00 H new ATOM 0 HA GLN A 101 107.164 2.539 10.630 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.563 0.769 11.865 1.00 0.00 H new ATOM 0 HB3 GLN A 101 108.910 1.963 13.100 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.463 2.216 13.563 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.094 1.057 12.301 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.341 -0.753 13.486 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.280 -1.540 14.759 1.00 0.00 H new ATOM 1604 N LEU A 102 108.473 4.749 12.661 1.00 0.00 N ATOM 1605 CA LEU A 102 108.120 6.006 13.388 1.00 0.00 C ATOM 1606 C LEU A 102 107.594 7.086 12.440 1.00 0.00 C ATOM 1607 O LEU A 102 106.619 7.759 12.730 1.00 0.00 O ATOM 1608 CB LEU A 102 109.422 6.459 14.041 1.00 0.00 C ATOM 1609 CG LEU A 102 109.675 5.605 15.280 1.00 0.00 C ATOM 1610 CD1 LEU A 102 111.109 5.814 15.769 1.00 0.00 C ATOM 1611 CD2 LEU A 102 108.693 6.017 16.380 1.00 0.00 C ATOM 0 H LEU A 102 109.458 4.488 12.698 1.00 0.00 H new ATOM 0 HA LEU A 102 107.323 5.833 14.112 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.250 6.360 13.339 1.00 0.00 H new ATOM 0 HB3 LEU A 102 109.360 7.512 14.315 1.00 0.00 H new ATOM 0 HG LEU A 102 109.533 4.553 15.033 1.00 0.00 H new ATOM 0 HD11 LEU A 102 111.285 5.202 16.654 1.00 0.00 H new ATOM 0 HD12 LEU A 102 111.807 5.525 14.983 1.00 0.00 H new ATOM 0 HD13 LEU A 102 111.259 6.864 16.019 1.00 0.00 H new ATOM 0 HD21 LEU A 102 108.867 5.411 17.269 1.00 0.00 H new ATOM 0 HD22 LEU A 102 108.840 7.069 16.623 1.00 0.00 H new ATOM 0 HD23 LEU A 102 107.671 5.864 16.032 1.00 0.00 H new ATOM 1623 N GLN A 103 108.215 7.247 11.304 1.00 0.00 N ATOM 1624 CA GLN A 103 107.721 8.282 10.354 1.00 0.00 C ATOM 1625 C GLN A 103 106.445 7.769 9.682 1.00 0.00 C ATOM 1626 O GLN A 103 105.487 8.498 9.501 1.00 0.00 O ATOM 1627 CB GLN A 103 108.851 8.488 9.361 1.00 0.00 C ATOM 1628 CG GLN A 103 109.959 9.334 9.992 1.00 0.00 C ATOM 1629 CD GLN A 103 109.427 10.730 10.308 1.00 0.00 C ATOM 1630 OE1 GLN A 103 108.842 11.378 9.464 1.00 0.00 O ATOM 1631 NE2 GLN A 103 109.613 11.228 11.500 1.00 0.00 N ATOM 0 H GLN A 103 109.030 6.716 10.996 1.00 0.00 H new ATOM 0 HA GLN A 103 107.465 9.226 10.834 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.252 7.523 9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.473 8.980 8.465 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.319 8.857 10.904 1.00 0.00 H new ATOM 0 HG3 GLN A 103 110.808 9.404 9.312 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.104 10.684 12.209 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.267 12.161 11.722 1.00 0.00 H new ATOM 1640 N PHE A 104 106.418 6.510 9.332 1.00 0.00 N ATOM 1641 CA PHE A 104 105.191 5.945 8.702 1.00 0.00 C ATOM 1642 C PHE A 104 104.024 6.091 9.673 1.00 0.00 C ATOM 1643 O PHE A 104 102.926 6.447 9.299 1.00 0.00 O ATOM 1644 CB PHE A 104 105.499 4.469 8.446 1.00 0.00 C ATOM 1645 CG PHE A 104 105.949 4.295 7.015 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.224 4.715 6.619 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.086 3.710 6.079 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.636 4.552 5.292 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.498 3.547 4.750 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.774 3.968 4.358 1.00 0.00 C ATOM 0 H PHE A 104 107.188 5.853 9.455 1.00 0.00 H new ATOM 0 HA PHE A 104 104.922 6.454 7.776 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.276 4.124 9.128 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.614 3.862 8.638 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.891 5.166 7.339 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.102 3.384 6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.620 4.877 4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.832 3.097 4.029 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.093 3.842 3.334 1.00 0.00 H new ATOM 1660 N LYS A 105 104.266 5.828 10.930 1.00 0.00 N ATOM 1661 CA LYS A 105 103.191 5.959 11.943 1.00 0.00 C ATOM 1662 C LYS A 105 102.729 7.416 12.014 1.00 0.00 C ATOM 1663 O LYS A 105 101.580 7.694 12.293 1.00 0.00 O ATOM 1664 CB LYS A 105 103.838 5.507 13.252 1.00 0.00 C ATOM 1665 CG LYS A 105 102.800 5.467 14.374 1.00 0.00 C ATOM 1666 CD LYS A 105 103.454 4.872 15.622 1.00 0.00 C ATOM 1667 CE LYS A 105 102.442 4.813 16.772 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.191 4.229 17.926 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.169 5.527 11.296 1.00 0.00 H new ATOM 0 HA LYS A 105 102.306 5.365 11.713 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.282 4.520 13.124 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.646 6.188 13.520 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.430 6.471 14.583 1.00 0.00 H new ATOM 0 HG3 LYS A 105 101.941 4.866 14.074 1.00 0.00 H new ATOM 0 HD2 LYS A 105 103.827 3.871 15.404 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.313 5.476 15.914 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.061 5.806 17.012 1.00 0.00 H new ATOM 0 HE3 LYS A 105 101.582 4.197 16.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 102.560 4.159 18.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 103.536 3.281 17.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 103.999 4.840 18.160 1.00 0.00 H new ATOM 1682 N GLN A 106 103.603 8.354 11.734 1.00 0.00 N ATOM 1683 CA GLN A 106 103.186 9.786 11.754 1.00 0.00 C ATOM 1684 C GLN A 106 102.486 10.147 10.438 1.00 0.00 C ATOM 1685 O GLN A 106 101.739 11.103 10.370 1.00 0.00 O ATOM 1686 CB GLN A 106 104.486 10.572 11.906 1.00 0.00 C ATOM 1687 CG GLN A 106 105.036 10.357 13.316 1.00 0.00 C ATOM 1688 CD GLN A 106 106.341 11.133 13.486 1.00 0.00 C ATOM 1689 OE1 GLN A 106 106.736 11.883 12.615 1.00 0.00 O ATOM 1690 NE2 GLN A 106 107.034 10.982 14.580 1.00 0.00 N ATOM 0 H GLN A 106 104.580 8.188 11.494 1.00 0.00 H new ATOM 0 HA GLN A 106 102.483 10.005 12.558 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.214 10.243 11.164 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.307 11.633 11.729 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.306 10.688 14.055 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.208 9.295 13.491 1.00 0.00 H new ATOM 0 HE21 GLN A 106 106.702 10.353 15.311 1.00 0.00 H new ATOM 0 HE22 GLN A 106 107.908 11.493 14.705 1.00 0.00 H new ATOM 1699 N GLY A 107 102.694 9.382 9.399 1.00 0.00 N ATOM 1700 CA GLY A 107 102.002 9.685 8.113 1.00 0.00 C ATOM 1701 C GLY A 107 102.971 10.248 7.065 1.00 0.00 C ATOM 1702 O GLY A 107 102.572 10.525 5.949 1.00 0.00 O ATOM 0 H GLY A 107 103.308 8.567 9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.537 8.778 7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.201 10.403 8.291 1.00 0.00 H new ATOM 1706 N ASN A 108 104.232 10.418 7.383 1.00 0.00 N ATOM 1707 CA ASN A 108 105.176 10.961 6.355 1.00 0.00 C ATOM 1708 C ASN A 108 106.033 9.843 5.758 1.00 0.00 C ATOM 1709 O ASN A 108 107.049 9.449 6.299 1.00 0.00 O ATOM 1710 CB ASN A 108 106.054 11.973 7.078 1.00 0.00 C ATOM 1711 CG ASN A 108 106.703 12.893 6.045 1.00 0.00 C ATOM 1712 OD1 ASN A 108 107.090 12.451 4.981 1.00 0.00 O ATOM 1713 ND2 ASN A 108 106.831 14.163 6.309 1.00 0.00 N ATOM 0 H ASN A 108 104.643 10.209 8.293 1.00 0.00 H new ATOM 0 HA ASN A 108 104.633 11.420 5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 108 105.458 12.556 7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 108 106.820 11.460 7.660 1.00 0.00 H new ATOM 0 HD21 ASN A 108 107.256 14.786 5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.506 14.534 7.202 1.00 0.00 H new ATOM 1720 N PHE A 109 105.610 9.334 4.638 1.00 0.00 N ATOM 1721 CA PHE A 109 106.352 8.236 3.957 1.00 0.00 C ATOM 1722 C PHE A 109 107.745 8.679 3.523 1.00 0.00 C ATOM 1723 O PHE A 109 108.698 7.930 3.616 1.00 0.00 O ATOM 1724 CB PHE A 109 105.493 7.913 2.718 1.00 0.00 C ATOM 1725 CG PHE A 109 104.154 7.260 3.092 1.00 0.00 C ATOM 1726 CD1 PHE A 109 103.848 6.898 4.423 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.214 7.016 2.083 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.619 6.303 4.728 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.984 6.419 2.395 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.689 6.063 3.717 1.00 0.00 C ATOM 0 H PHE A 109 104.765 9.638 4.155 1.00 0.00 H new ATOM 0 HA PHE A 109 106.500 7.381 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.304 8.830 2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.048 7.247 2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.566 7.081 5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.437 7.288 1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.390 6.029 5.747 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.262 6.233 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.741 5.603 3.953 1.00 0.00 H new ATOM 1740 N LYS A 110 107.863 9.864 3.008 1.00 0.00 N ATOM 1741 CA LYS A 110 109.190 10.318 2.523 1.00 0.00 C ATOM 1742 C LYS A 110 110.213 10.464 3.662 1.00 0.00 C ATOM 1743 O LYS A 110 111.334 10.005 3.543 1.00 0.00 O ATOM 1744 CB LYS A 110 108.933 11.671 1.867 1.00 0.00 C ATOM 1745 CG LYS A 110 110.254 12.232 1.348 1.00 0.00 C ATOM 1746 CD LYS A 110 110.037 13.629 0.782 1.00 0.00 C ATOM 1747 CE LYS A 110 111.373 14.159 0.267 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.188 15.630 0.143 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.103 10.536 2.902 1.00 0.00 H new ATOM 0 HA LYS A 110 109.619 9.589 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.222 11.563 1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.488 12.359 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 110 110.986 12.267 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.660 11.577 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.305 13.601 -0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.638 14.291 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.183 13.921 0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.630 13.712 -0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.623 15.961 -0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.172 15.853 0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.639 16.106 0.950 1.00 0.00 H new ATOM 1762 N GLN A 111 109.869 11.129 4.734 1.00 0.00 N ATOM 1763 CA GLN A 111 110.879 11.322 5.818 1.00 0.00 C ATOM 1764 C GLN A 111 111.283 9.976 6.423 1.00 0.00 C ATOM 1765 O GLN A 111 112.440 9.750 6.720 1.00 0.00 O ATOM 1766 CB GLN A 111 110.226 12.236 6.859 1.00 0.00 C ATOM 1767 CG GLN A 111 110.038 13.638 6.273 1.00 0.00 C ATOM 1768 CD GLN A 111 109.390 14.540 7.324 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.188 14.131 8.450 1.00 0.00 O ATOM 1770 NE2 GLN A 111 109.051 15.759 7.003 1.00 0.00 N ATOM 0 H GLN A 111 108.951 11.540 4.905 1.00 0.00 H new ATOM 0 HA GLN A 111 111.795 11.772 5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.263 11.827 7.163 1.00 0.00 H new ATOM 0 HB3 GLN A 111 110.847 12.286 7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.000 14.049 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.413 13.592 5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 111 109.220 16.103 6.058 1.00 0.00 H new ATOM 0 HE22 GLN A 111 108.617 16.367 7.697 1.00 0.00 H new ATOM 1779 N GLY A 112 110.354 9.081 6.606 1.00 0.00 N ATOM 1780 CA GLY A 112 110.715 7.758 7.188 1.00 0.00 C ATOM 1781 C GLY A 112 111.682 7.033 6.267 1.00 0.00 C ATOM 1782 O GLY A 112 112.693 6.510 6.692 1.00 0.00 O ATOM 0 H GLY A 112 109.367 9.206 6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.168 7.895 8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.817 7.157 7.332 1.00 0.00 H new ATOM 1786 N LEU A 113 111.373 6.987 5.009 1.00 0.00 N ATOM 1787 CA LEU A 113 112.267 6.283 4.061 1.00 0.00 C ATOM 1788 C LEU A 113 113.630 6.977 4.001 1.00 0.00 C ATOM 1789 O LEU A 113 114.657 6.335 4.017 1.00 0.00 O ATOM 1790 CB LEU A 113 111.549 6.375 2.716 1.00 0.00 C ATOM 1791 CG LEU A 113 110.272 5.530 2.758 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.406 5.849 1.538 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.638 4.045 2.745 1.00 0.00 C ATOM 0 H LEU A 113 110.540 7.406 4.595 1.00 0.00 H new ATOM 0 HA LEU A 113 112.458 5.250 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.303 7.413 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.203 6.024 1.918 1.00 0.00 H new ATOM 0 HG LEU A 113 109.718 5.760 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.498 5.247 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.141 6.906 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 113 109.961 5.621 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.728 3.446 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.194 3.815 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.253 3.814 3.615 1.00 0.00 H new ATOM 1805 N VAL A 114 113.654 8.282 3.929 1.00 0.00 N ATOM 1806 CA VAL A 114 114.970 8.987 3.859 1.00 0.00 C ATOM 1807 C VAL A 114 115.767 8.787 5.156 1.00 0.00 C ATOM 1808 O VAL A 114 116.946 8.492 5.130 1.00 0.00 O ATOM 1809 CB VAL A 114 114.623 10.475 3.664 1.00 0.00 C ATOM 1810 CG1 VAL A 114 115.887 11.341 3.764 1.00 0.00 C ATOM 1811 CG2 VAL A 114 113.981 10.680 2.291 1.00 0.00 C ATOM 0 H VAL A 114 112.831 8.885 3.916 1.00 0.00 H new ATOM 0 HA VAL A 114 115.591 8.602 3.050 1.00 0.00 H new ATOM 0 HB VAL A 114 113.926 10.772 4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.622 12.389 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.341 11.210 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.596 11.040 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.737 11.734 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.678 10.367 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.070 10.085 2.223 1.00 0.00 H new ATOM 1821 N ASP A 115 115.146 8.976 6.283 1.00 0.00 N ATOM 1822 CA ASP A 115 115.887 8.834 7.566 1.00 0.00 C ATOM 1823 C ASP A 115 116.336 7.383 7.778 1.00 0.00 C ATOM 1824 O ASP A 115 117.439 7.131 8.221 1.00 0.00 O ATOM 1825 CB ASP A 115 114.896 9.284 8.642 1.00 0.00 C ATOM 1826 CG ASP A 115 114.943 10.811 8.791 1.00 0.00 C ATOM 1827 OD1 ASP A 115 115.798 11.429 8.175 1.00 0.00 O ATOM 1828 OD2 ASP A 115 114.113 11.341 9.513 1.00 0.00 O1- ATOM 0 H ASP A 115 114.160 9.222 6.373 1.00 0.00 H new ATOM 0 HA ASP A 115 116.799 9.430 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 115 113.888 8.967 8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.138 8.810 9.593 1.00 0.00 H new ATOM 1833 N GLY A 116 115.504 6.430 7.469 1.00 0.00 N ATOM 1834 CA GLY A 116 115.907 5.007 7.662 1.00 0.00 C ATOM 1835 C GLY A 116 117.085 4.680 6.742 1.00 0.00 C ATOM 1836 O GLY A 116 118.016 4.003 7.129 1.00 0.00 O ATOM 0 H GLY A 116 114.566 6.571 7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.185 4.835 8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.067 4.347 7.443 1.00 0.00 H new ATOM 1840 N ILE A 117 117.054 5.153 5.526 1.00 0.00 N ATOM 1841 CA ILE A 117 118.176 4.864 4.586 1.00 0.00 C ATOM 1842 C ILE A 117 119.470 5.492 5.121 1.00 0.00 C ATOM 1843 O ILE A 117 120.519 4.879 5.090 1.00 0.00 O ATOM 1844 CB ILE A 117 117.745 5.488 3.251 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.544 4.714 2.701 1.00 0.00 C ATOM 1846 CG2 ILE A 117 118.880 5.403 2.226 1.00 0.00 C ATOM 1847 CD1 ILE A 117 115.917 5.498 1.548 1.00 0.00 C ATOM 0 H ILE A 117 116.302 5.726 5.143 1.00 0.00 H new ATOM 0 HA ILE A 117 118.376 3.799 4.471 1.00 0.00 H new ATOM 0 HB ILE A 117 117.489 6.533 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 117 116.859 3.729 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 117 115.808 4.555 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 117 118.556 5.850 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 117 119.751 5.940 2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.142 4.358 2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.062 4.947 1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.587 6.473 1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 117 116.654 5.634 0.757 1.00 0.00 H new ATOM 1859 N GLU A 118 119.413 6.703 5.612 1.00 0.00 N ATOM 1860 CA GLU A 118 120.654 7.341 6.142 1.00 0.00 C ATOM 1861 C GLU A 118 121.227 6.487 7.277 1.00 0.00 C ATOM 1862 O GLU A 118 122.404 6.189 7.312 1.00 0.00 O ATOM 1863 CB GLU A 118 120.213 8.709 6.661 1.00 0.00 C ATOM 1864 CG GLU A 118 121.424 9.460 7.222 1.00 0.00 C ATOM 1865 CD GLU A 118 122.368 9.866 6.084 1.00 0.00 C ATOM 1866 OE1 GLU A 118 122.003 9.678 4.934 1.00 0.00 O1- ATOM 1867 OE2 GLU A 118 123.444 10.360 6.383 1.00 0.00 O ATOM 0 H GLU A 118 118.569 7.273 5.669 1.00 0.00 H new ATOM 0 HA GLU A 118 121.432 7.435 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.756 9.285 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.456 8.589 7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.093 10.346 7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 118 121.953 8.829 7.936 1.00 0.00 H new ATOM 1874 N LYS A 119 120.395 6.078 8.195 1.00 0.00 N ATOM 1875 CA LYS A 119 120.877 5.226 9.317 1.00 0.00 C ATOM 1876 C LYS A 119 121.414 3.910 8.758 1.00 0.00 C ATOM 1877 O LYS A 119 122.461 3.437 9.153 1.00 0.00 O ATOM 1878 CB LYS A 119 119.641 5.003 10.186 1.00 0.00 C ATOM 1879 CG LYS A 119 119.287 6.312 10.892 1.00 0.00 C ATOM 1880 CD LYS A 119 117.996 6.139 11.694 1.00 0.00 C ATOM 1881 CE LYS A 119 117.676 7.449 12.416 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.421 7.179 13.169 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.399 6.298 8.216 1.00 0.00 H new ATOM 0 HA LYS A 119 121.688 5.678 9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.805 4.668 9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.832 4.219 10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.100 6.609 11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 119 119.166 7.109 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.175 5.865 11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.107 5.329 12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.485 7.737 13.088 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.543 8.267 11.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.166 8.017 13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.654 6.964 12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.565 6.368 13.804 1.00 0.00 H new ATOM 1896 N ALA A 120 120.729 3.333 7.814 1.00 0.00 N ATOM 1897 CA ALA A 120 121.225 2.072 7.204 1.00 0.00 C ATOM 1898 C ALA A 120 122.612 2.304 6.597 1.00 0.00 C ATOM 1899 O ALA A 120 123.500 1.493 6.733 1.00 0.00 O ATOM 1900 CB ALA A 120 120.212 1.734 6.110 1.00 0.00 C ATOM 0 H ALA A 120 119.847 3.680 7.438 1.00 0.00 H new ATOM 0 HA ALA A 120 121.319 1.265 7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.510 0.812 5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.226 1.604 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.178 2.545 5.383 1.00 0.00 H new ATOM 1906 N GLY A 121 122.807 3.405 5.926 1.00 0.00 N ATOM 1907 CA GLY A 121 124.139 3.668 5.313 1.00 0.00 C ATOM 1908 C GLY A 121 125.197 3.826 6.408 1.00 0.00 C ATOM 1909 O GLY A 121 126.291 3.307 6.306 1.00 0.00 O ATOM 0 H GLY A 121 122.106 4.131 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.411 2.848 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.096 4.571 4.704 1.00 0.00 H new ATOM 1913 N MET A 122 124.882 4.538 7.457 1.00 0.00 N ATOM 1914 CA MET A 122 125.876 4.723 8.555 1.00 0.00 C ATOM 1915 C MET A 122 126.141 3.392 9.269 1.00 0.00 C ATOM 1916 O MET A 122 127.275 3.023 9.533 1.00 0.00 O ATOM 1917 CB MET A 122 125.221 5.729 9.502 1.00 0.00 C ATOM 1918 CG MET A 122 125.298 7.130 8.891 1.00 0.00 C ATOM 1919 SD MET A 122 124.399 8.301 9.941 1.00 0.00 S ATOM 1920 CE MET A 122 125.469 8.189 11.398 1.00 0.00 C ATOM 0 H MET A 122 123.983 4.998 7.601 1.00 0.00 H new ATOM 0 HA MET A 122 126.841 5.073 8.189 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.181 5.454 9.679 1.00 0.00 H new ATOM 0 HB3 MET A 122 125.723 5.714 10.469 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.339 7.438 8.793 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.872 7.124 7.888 1.00 0.00 H new ATOM 0 HE1 MET A 122 125.401 9.113 11.971 1.00 0.00 H new ATOM 0 HE2 MET A 122 125.151 7.352 12.020 1.00 0.00 H new ATOM 0 HE3 MET A 122 126.500 8.034 11.081 1.00 0.00 H new ATOM 1930 N ALA A 123 125.103 2.664 9.576 1.00 0.00 N ATOM 1931 CA ALA A 123 125.305 1.365 10.268 1.00 0.00 C ATOM 1932 C ALA A 123 126.073 0.432 9.338 1.00 0.00 C ATOM 1933 O ALA A 123 126.997 -0.246 9.741 1.00 0.00 O ATOM 1934 CB ALA A 123 123.901 0.835 10.568 1.00 0.00 C ATOM 0 H ALA A 123 124.133 2.911 9.379 1.00 0.00 H new ATOM 0 HA ALA A 123 125.881 1.453 11.189 1.00 0.00 H new ATOM 0 HB1 ALA A 123 123.976 -0.124 11.080 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.372 1.545 11.204 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.354 0.706 9.634 1.00 0.00 H new ATOM 1940 N LEU A 124 125.715 0.421 8.085 1.00 0.00 N ATOM 1941 CA LEU A 124 126.441 -0.433 7.107 1.00 0.00 C ATOM 1942 C LEU A 124 127.888 0.051 6.978 1.00 0.00 C ATOM 1943 O LEU A 124 128.805 -0.737 6.857 1.00 0.00 O ATOM 1944 CB LEU A 124 125.696 -0.250 5.788 1.00 0.00 C ATOM 1945 CG LEU A 124 124.324 -0.918 5.868 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.470 -0.448 4.688 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.485 -2.437 5.804 1.00 0.00 C ATOM 0 H LEU A 124 124.948 0.969 7.695 1.00 0.00 H new ATOM 0 HA LEU A 124 126.473 -1.480 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.581 0.812 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.274 -0.683 4.971 1.00 0.00 H new ATOM 0 HG LEU A 124 123.841 -0.647 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.489 -0.920 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.354 0.635 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.958 -0.723 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.504 -2.910 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.966 -2.713 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 124 125.099 -2.773 6.639 1.00 0.00 H new ATOM 1959 N ALA A 125 128.103 1.344 6.972 1.00 0.00 N ATOM 1960 CA ALA A 125 129.494 1.859 6.813 1.00 0.00 C ATOM 1961 C ALA A 125 130.420 1.230 7.856 1.00 0.00 C ATOM 1962 O ALA A 125 131.578 0.977 7.589 1.00 0.00 O ATOM 1963 CB ALA A 125 129.399 3.376 7.002 1.00 0.00 C ATOM 0 H ALA A 125 127.381 2.058 7.070 1.00 0.00 H new ATOM 0 HA ALA A 125 129.911 1.608 5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.390 3.818 6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.733 3.796 6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 125 129.007 3.595 7.995 1.00 0.00 H new ATOM 1969 N LYS A 126 129.927 0.963 9.037 1.00 0.00 N ATOM 1970 CA LYS A 126 130.803 0.337 10.074 1.00 0.00 C ATOM 1971 C LYS A 126 131.253 -1.049 9.595 1.00 0.00 C ATOM 1972 O LYS A 126 132.404 -1.420 9.713 1.00 0.00 O ATOM 1973 CB LYS A 126 129.923 0.223 11.320 1.00 0.00 C ATOM 1974 CG LYS A 126 130.776 -0.226 12.507 1.00 0.00 C ATOM 1975 CD LYS A 126 129.934 -0.193 13.784 1.00 0.00 C ATOM 1976 CE LYS A 126 130.800 -0.611 14.976 1.00 0.00 C ATOM 1977 NZ LYS A 126 129.926 -0.438 16.169 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.967 1.148 9.327 1.00 0.00 H new ATOM 0 HA LYS A 126 131.704 0.918 10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.455 1.183 11.537 1.00 0.00 H new ATOM 0 HB3 LYS A 126 129.118 -0.491 11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 126 131.155 -1.233 12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 126 131.642 0.427 12.613 1.00 0.00 H new ATOM 0 HD2 LYS A 126 129.535 0.809 13.944 1.00 0.00 H new ATOM 0 HD3 LYS A 126 129.081 -0.864 13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 126 131.134 -1.644 14.878 1.00 0.00 H new ATOM 0 HE3 LYS A 126 131.695 0.007 15.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 130.451 -0.705 17.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 129.629 0.556 16.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 129.086 -1.044 16.075 1.00 0.00 H new ATOM 1991 N TYR A 127 130.349 -1.802 9.031 1.00 0.00 N ATOM 1992 CA TYR A 127 130.707 -3.154 8.509 1.00 0.00 C ATOM 1993 C TYR A 127 131.589 -3.019 7.269 1.00 0.00 C ATOM 1994 O TYR A 127 132.567 -3.721 7.106 1.00 0.00 O ATOM 1995 CB TYR A 127 129.377 -3.810 8.147 1.00 0.00 C ATOM 1996 CG TYR A 127 128.692 -4.293 9.402 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.913 -3.412 10.161 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.834 -5.626 9.801 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.274 -3.868 11.321 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.195 -6.082 10.959 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.415 -5.203 11.719 1.00 0.00 C ATOM 2002 OH TYR A 127 126.784 -5.654 12.861 1.00 0.00 O ATOM 0 H TYR A 127 129.371 -1.538 8.908 1.00 0.00 H new ATOM 0 HA TYR A 127 131.264 -3.743 9.238 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.739 -3.098 7.624 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.545 -4.646 7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.805 -2.383 9.853 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.437 -6.304 9.215 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.673 -3.190 11.908 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.304 -7.112 11.266 1.00 0.00 H new ATOM 0 HH TYR A 127 126.985 -6.604 12.992 1.00 0.00 H new ATOM 2012 N PHE A 128 131.251 -2.110 6.399 1.00 0.00 N ATOM 2013 CA PHE A 128 132.067 -1.910 5.172 1.00 0.00 C ATOM 2014 C PHE A 128 132.444 -0.433 5.031 1.00 0.00 C ATOM 2015 O PHE A 128 131.638 0.366 4.599 1.00 0.00 O ATOM 2016 CB PHE A 128 131.168 -2.340 4.013 1.00 0.00 C ATOM 2017 CG PHE A 128 130.773 -3.781 4.193 1.00 0.00 C ATOM 2018 CD1 PHE A 128 129.663 -4.107 4.978 1.00 0.00 C ATOM 2019 CD2 PHE A 128 131.514 -4.791 3.570 1.00 0.00 C ATOM 2020 CE1 PHE A 128 129.292 -5.446 5.142 1.00 0.00 C ATOM 2021 CE2 PHE A 128 131.144 -6.130 3.733 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.033 -6.458 4.519 1.00 0.00 C ATOM 0 H PHE A 128 130.442 -1.495 6.486 1.00 0.00 H new ATOM 0 HA PHE A 128 132.995 -2.482 5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 128 130.279 -1.710 3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.691 -2.211 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 128 129.092 -3.326 5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 128 132.371 -4.537 2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 128 128.435 -5.699 5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 128 131.715 -6.911 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 128 129.747 -7.492 4.645 1.00 0.00 H new ATOM 2032 N PRO A 129 133.671 -0.116 5.387 1.00 0.00 N ATOM 2033 CA PRO A 129 134.145 1.281 5.271 1.00 0.00 C ATOM 2034 C PRO A 129 134.235 1.678 3.800 1.00 0.00 C ATOM 2035 O PRO A 129 134.430 0.854 2.929 1.00 0.00 O ATOM 2036 CB PRO A 129 135.524 1.257 5.926 1.00 0.00 C ATOM 2037 CG PRO A 129 135.971 -0.160 5.805 1.00 0.00 C ATOM 2038 CD PRO A 129 134.728 -1.002 5.910 1.00 0.00 C ATOM 0 HA PRO A 129 133.481 2.005 5.743 1.00 0.00 H new ATOM 0 HB2 PRO A 129 136.214 1.935 5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.473 1.569 6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.477 -0.329 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.681 -0.413 6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.812 -1.917 5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.530 -1.300 6.940 1.00 0.00 H new ATOM 2046 N TRP A 130 134.083 2.937 3.524 1.00 0.00 N ATOM 2047 CA TRP A 130 134.145 3.410 2.119 1.00 0.00 C ATOM 2048 C TRP A 130 135.588 3.520 1.638 1.00 0.00 C ATOM 2049 O TRP A 130 136.450 4.020 2.334 1.00 0.00 O ATOM 2050 CB TRP A 130 133.529 4.799 2.153 1.00 0.00 C ATOM 2051 CG TRP A 130 133.381 5.273 0.752 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.461 4.818 -0.128 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.172 6.265 0.045 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.630 5.482 -1.329 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.675 6.382 -1.272 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.262 7.070 0.418 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.238 7.268 -2.189 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.833 7.963 -0.502 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.322 8.061 -1.805 1.00 0.00 C ATOM 0 H TRP A 130 133.917 3.666 4.218 1.00 0.00 H new ATOM 0 HA TRP A 130 133.631 2.723 1.446 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.560 4.773 2.651 1.00 0.00 H new ATOM 0 HB3 TRP A 130 134.161 5.482 2.721 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.717 4.061 0.074 1.00 0.00 H new ATOM 0 HE1 TRP A 130 132.053 5.326 -2.156 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.663 7.001 1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.839 7.341 -3.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.670 8.578 -0.205 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.766 8.748 -2.510 1.00 0.00 H new ATOM 2070 N LYS A 131 135.851 3.094 0.438 1.00 0.00 N ATOM 2071 CA LYS A 131 137.227 3.214 -0.106 1.00 0.00 C ATOM 2072 C LYS A 131 137.223 4.169 -1.300 1.00 0.00 C ATOM 2073 O LYS A 131 136.238 4.306 -1.998 1.00 0.00 O ATOM 2074 CB LYS A 131 137.635 1.805 -0.534 1.00 0.00 C ATOM 2075 CG LYS A 131 137.694 0.891 0.689 1.00 0.00 C ATOM 2076 CD LYS A 131 138.824 1.349 1.613 1.00 0.00 C ATOM 2077 CE LYS A 131 138.906 0.411 2.815 1.00 0.00 C ATOM 2078 NZ LYS A 131 140.090 0.879 3.588 1.00 0.00 N1+ ATOM 0 H LYS A 131 135.171 2.667 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 131 137.927 3.614 0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.921 1.414 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.607 1.832 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 131 136.743 0.915 1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 131 137.859 -0.140 0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 131 139.771 1.351 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.645 2.371 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 131 137.998 0.459 3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 131 139.025 -0.626 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 140.212 0.282 4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 140.940 0.816 2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 139.945 1.866 3.881 1.00 0.00 H new ATOM 2092 N LYS A 132 138.302 4.862 -1.513 1.00 0.00 N ATOM 2093 CA LYS A 132 138.350 5.848 -2.628 1.00 0.00 C ATOM 2094 C LYS A 132 138.059 5.180 -3.970 1.00 0.00 C ATOM 2095 O LYS A 132 137.551 5.811 -4.877 1.00 0.00 O ATOM 2096 CB LYS A 132 139.762 6.428 -2.584 1.00 0.00 C ATOM 2097 CG LYS A 132 139.911 7.281 -1.321 1.00 0.00 C ATOM 2098 CD LYS A 132 141.335 7.829 -1.237 1.00 0.00 C ATOM 2099 CE LYS A 132 142.302 6.674 -0.975 1.00 0.00 C ATOM 2100 NZ LYS A 132 143.619 7.322 -0.731 1.00 0.00 N1+ ATOM 0 H LYS A 132 139.157 4.789 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 132 137.593 6.624 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.499 5.625 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.948 7.033 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.195 8.103 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.688 6.683 -0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 132 141.598 8.336 -2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.407 8.568 -0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 132 141.987 6.083 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 132 142.348 5.996 -1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 144.336 6.592 -0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.896 7.872 -1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.547 7.956 0.090 1.00 0.00 H new ATOM 2114 N ASP A 133 138.366 3.918 -4.117 1.00 0.00 N ATOM 2115 CA ASP A 133 138.074 3.254 -5.419 1.00 0.00 C ATOM 2116 C ASP A 133 136.673 2.611 -5.407 1.00 0.00 C ATOM 2117 O ASP A 133 136.318 1.867 -6.300 1.00 0.00 O ATOM 2118 CB ASP A 133 139.171 2.208 -5.610 1.00 0.00 C ATOM 2119 CG ASP A 133 140.523 2.912 -5.719 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.535 4.065 -6.117 1.00 0.00 O1- ATOM 2121 OD2 ASP A 133 141.522 2.288 -5.402 1.00 0.00 O ATOM 0 H ASP A 133 138.798 3.328 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 133 138.068 3.968 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 133 139.177 1.512 -4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.979 1.622 -6.509 1.00 0.00 H new ATOM 2126 N ASP A 134 135.877 2.894 -4.390 1.00 0.00 N ATOM 2127 CA ASP A 134 134.499 2.313 -4.294 1.00 0.00 C ATOM 2128 C ASP A 134 133.778 2.351 -5.641 1.00 0.00 C ATOM 2129 O ASP A 134 133.860 3.313 -6.384 1.00 0.00 O ATOM 2130 CB ASP A 134 133.779 3.225 -3.306 1.00 0.00 C ATOM 2131 CG ASP A 134 132.364 2.699 -3.032 1.00 0.00 C ATOM 2132 OD1 ASP A 134 132.002 1.680 -3.600 1.00 0.00 O ATOM 2133 OD2 ASP A 134 131.661 3.333 -2.263 1.00 0.00 O1- ATOM 0 H ASP A 134 136.132 3.510 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 134 134.524 1.268 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.341 3.279 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.727 4.238 -3.706 1.00 0.00 H new ATOM 2138 N ILE A 135 133.109 1.279 -5.969 1.00 0.00 N ATOM 2139 CA ILE A 135 132.400 1.205 -7.283 1.00 0.00 C ATOM 2140 C ILE A 135 130.870 1.231 -7.101 1.00 0.00 C ATOM 2141 O ILE A 135 130.315 0.555 -6.257 1.00 0.00 O ATOM 2142 CB ILE A 135 132.878 -0.113 -7.985 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.101 -1.365 -7.482 1.00 0.00 C ATOM 2144 CG2 ILE A 135 134.390 -0.337 -7.788 1.00 0.00 C ATOM 2145 CD1 ILE A 135 132.441 -1.693 -6.023 1.00 0.00 C ATOM 0 H ILE A 135 133.022 0.448 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 135 132.639 2.072 -7.898 1.00 0.00 H new ATOM 0 HB ILE A 135 132.669 0.016 -9.047 1.00 0.00 H new ATOM 0 HG12 ILE A 135 131.029 -1.190 -7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 135 132.341 -2.221 -8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.689 -1.259 -8.287 1.00 0.00 H new ATOM 0 HG22 ILE A 135 134.941 0.502 -8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.611 -0.412 -6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.880 -2.572 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 135 133.509 -1.893 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 135 132.176 -0.847 -5.389 1.00 0.00 H new ATOM 2157 N ASP A 136 130.195 1.998 -7.915 1.00 0.00 N ATOM 2158 CA ASP A 136 128.707 2.070 -7.836 1.00 0.00 C ATOM 2159 C ASP A 136 128.118 1.504 -9.135 1.00 0.00 C ATOM 2160 O ASP A 136 128.108 2.173 -10.149 1.00 0.00 O ATOM 2161 CB ASP A 136 128.400 3.563 -7.695 1.00 0.00 C ATOM 2162 CG ASP A 136 126.893 3.809 -7.832 1.00 0.00 C ATOM 2163 OD1 ASP A 136 126.148 2.845 -7.788 1.00 0.00 O ATOM 2164 OD2 ASP A 136 126.515 4.959 -7.982 1.00 0.00 O1- ATOM 0 H ASP A 136 130.615 2.583 -8.638 1.00 0.00 H new ATOM 0 HA ASP A 136 128.284 1.499 -7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.748 3.923 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 136 128.939 4.126 -8.457 1.00 0.00 H new ATOM 2169 N GLU A 137 127.655 0.279 -9.133 1.00 0.00 N ATOM 2170 CA GLU A 137 127.111 -0.291 -10.401 1.00 0.00 C ATOM 2171 C GLU A 137 125.577 -0.268 -10.428 1.00 0.00 C ATOM 2172 O GLU A 137 124.968 -0.628 -11.416 1.00 0.00 O ATOM 2173 CB GLU A 137 127.647 -1.721 -10.464 1.00 0.00 C ATOM 2174 CG GLU A 137 129.170 -1.687 -10.633 1.00 0.00 C ATOM 2175 CD GLU A 137 129.733 -3.114 -10.630 1.00 0.00 C ATOM 2176 OE1 GLU A 137 128.946 -4.047 -10.619 1.00 0.00 O1- ATOM 2177 OE2 GLU A 137 130.947 -3.249 -10.642 1.00 0.00 O ATOM 0 H GLU A 137 127.630 -0.341 -8.323 1.00 0.00 H new ATOM 0 HA GLU A 137 127.422 0.297 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 137 127.383 -2.260 -9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 137 127.190 -2.256 -11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 137 129.429 -1.188 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 137 129.620 -1.108 -9.826 1.00 0.00 H new ATOM 2184 N LEU A 138 124.944 0.139 -9.360 1.00 0.00 N ATOM 2185 CA LEU A 138 123.449 0.161 -9.361 1.00 0.00 C ATOM 2186 C LEU A 138 122.921 1.594 -9.500 1.00 0.00 C ATOM 2187 O LEU A 138 123.514 2.520 -8.982 1.00 0.00 O ATOM 2188 CB LEU A 138 123.030 -0.432 -8.015 1.00 0.00 C ATOM 2189 CG LEU A 138 122.278 -1.742 -8.255 1.00 0.00 C ATOM 2190 CD1 LEU A 138 123.272 -2.904 -8.234 1.00 0.00 C ATOM 2191 CD2 LEU A 138 121.232 -1.944 -7.154 1.00 0.00 C ATOM 0 H LEU A 138 125.388 0.453 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 138 123.044 -0.404 -10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.908 -0.611 -7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 138 122.396 0.272 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 138 121.778 -1.704 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 138 122.741 -3.840 -8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 138 124.016 -2.761 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 138 123.769 -2.940 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 138 120.697 -2.878 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 138 121.728 -1.984 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 138 120.526 -1.114 -7.167 1.00 0.00 H new ATOM 2203 N PRO A 139 121.807 1.734 -10.188 1.00 0.00 N ATOM 2204 CA PRO A 139 121.204 3.075 -10.370 1.00 0.00 C ATOM 2205 C PRO A 139 120.633 3.563 -9.036 1.00 0.00 C ATOM 2206 O PRO A 139 120.481 2.787 -8.112 1.00 0.00 O ATOM 2207 CB PRO A 139 120.104 2.845 -11.406 1.00 0.00 C ATOM 2208 CG PRO A 139 119.758 1.398 -11.290 1.00 0.00 C ATOM 2209 CD PRO A 139 121.010 0.685 -10.851 1.00 0.00 C ATOM 0 HA PRO A 139 121.912 3.836 -10.697 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.237 3.475 -11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.451 3.088 -12.410 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.955 1.249 -10.568 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.405 1.007 -12.244 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.784 -0.135 -10.169 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.543 0.256 -11.700 1.00 0.00 H new ATOM 2217 N ASN A 140 120.300 4.818 -8.910 1.00 0.00 N ATOM 2218 CA ASN A 140 119.723 5.303 -7.621 1.00 0.00 C ATOM 2219 C ASN A 140 118.232 5.641 -7.784 1.00 0.00 C ATOM 2220 O ASN A 140 117.614 6.194 -6.895 1.00 0.00 O ATOM 2221 CB ASN A 140 120.524 6.556 -7.289 1.00 0.00 C ATOM 2222 CG ASN A 140 121.932 6.147 -6.860 1.00 0.00 C ATOM 2223 OD1 ASN A 140 122.149 5.775 -5.724 1.00 0.00 O ATOM 2224 ND2 ASN A 140 122.905 6.195 -7.729 1.00 0.00 N ATOM 0 H ASN A 140 120.401 5.526 -9.637 1.00 0.00 H new ATOM 0 HA ASN A 140 119.783 4.551 -6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.571 7.214 -8.157 1.00 0.00 H new ATOM 0 HB3 ASN A 140 120.035 7.115 -6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 140 123.848 5.920 -7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.722 6.507 -8.683 1.00 0.00 H new ATOM 2231 N THR A 141 117.651 5.333 -8.916 1.00 0.00 N ATOM 2232 CA THR A 141 116.212 5.654 -9.135 1.00 0.00 C ATOM 2233 C THR A 141 115.313 4.847 -8.197 1.00 0.00 C ATOM 2234 O THR A 141 115.755 3.959 -7.495 1.00 0.00 O ATOM 2235 CB THR A 141 115.953 5.274 -10.592 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.302 3.910 -10.791 1.00 0.00 O ATOM 2237 CG2 THR A 141 116.797 6.166 -11.501 1.00 0.00 C ATOM 0 H THR A 141 118.115 4.872 -9.699 1.00 0.00 H new ATOM 0 HA THR A 141 115.992 6.702 -8.931 1.00 0.00 H new ATOM 0 HB THR A 141 114.898 5.412 -10.830 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.135 3.663 -11.724 1.00 0.00 H new ATOM 0 HG21 THR A 141 116.616 5.899 -12.542 1.00 0.00 H new ATOM 0 HG22 THR A 141 116.525 7.209 -11.341 1.00 0.00 H new ATOM 0 HG23 THR A 141 117.853 6.027 -11.269 1.00 0.00 H new ATOM 2245 N ILE A 142 114.052 5.175 -8.176 1.00 0.00 N ATOM 2246 CA ILE A 142 113.094 4.468 -7.282 1.00 0.00 C ATOM 2247 C ILE A 142 112.338 3.382 -8.050 1.00 0.00 C ATOM 2248 O ILE A 142 111.944 3.567 -9.184 1.00 0.00 O ATOM 2249 CB ILE A 142 112.135 5.559 -6.809 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.912 6.604 -6.005 1.00 0.00 C ATOM 2251 CG2 ILE A 142 111.052 4.939 -5.926 1.00 0.00 C ATOM 2252 CD1 ILE A 142 112.043 7.846 -5.812 1.00 0.00 C ATOM 0 H ILE A 142 113.639 5.912 -8.748 1.00 0.00 H new ATOM 0 HA ILE A 142 113.594 3.967 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 142 111.670 6.035 -7.673 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.199 6.194 -5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.833 6.868 -6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.368 5.718 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.500 4.193 -6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.515 4.464 -5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.595 8.591 -5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.778 8.259 -6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 142 111.135 7.575 -5.274 1.00 0.00 H new ATOM 2264 N SER A 143 112.120 2.255 -7.431 1.00 0.00 N ATOM 2265 CA SER A 143 111.375 1.156 -8.107 1.00 0.00 C ATOM 2266 C SER A 143 109.892 1.230 -7.737 1.00 0.00 C ATOM 2267 O SER A 143 109.535 1.408 -6.589 1.00 0.00 O ATOM 2268 CB SER A 143 112.003 -0.131 -7.576 1.00 0.00 C ATOM 2269 OG SER A 143 111.507 -1.238 -8.317 1.00 0.00 O ATOM 0 H SER A 143 112.428 2.047 -6.481 1.00 0.00 H new ATOM 0 HA SER A 143 111.435 1.215 -9.194 1.00 0.00 H new ATOM 0 HB2 SER A 143 113.089 -0.080 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.770 -0.253 -6.518 1.00 0.00 H new ATOM 0 HG SER A 143 110.790 -1.675 -7.812 1.00 0.00 H new ATOM 2275 N LYS A 144 109.025 1.104 -8.705 1.00 0.00 N ATOM 2276 CA LYS A 144 107.565 1.174 -8.417 1.00 0.00 C ATOM 2277 C LYS A 144 106.840 -0.029 -9.030 1.00 0.00 C ATOM 2278 O LYS A 144 107.235 -0.541 -10.059 1.00 0.00 O ATOM 2279 CB LYS A 144 107.103 2.472 -9.077 1.00 0.00 C ATOM 2280 CG LYS A 144 107.703 3.668 -8.336 1.00 0.00 C ATOM 2281 CD LYS A 144 107.235 4.957 -9.010 1.00 0.00 C ATOM 2282 CE LYS A 144 107.819 6.167 -8.281 1.00 0.00 C ATOM 2283 NZ LYS A 144 107.269 7.342 -9.011 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.266 0.955 -9.685 1.00 0.00 H new ATOM 0 HA LYS A 144 107.352 1.156 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.409 2.489 -10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 144 106.015 2.531 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.395 3.656 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 144 108.791 3.611 -8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 144 107.547 4.965 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 144 106.146 5.007 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 144 107.525 6.178 -7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 144 108.909 6.158 -8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 107.296 8.178 -8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 107.840 7.521 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 106.286 7.149 -9.289 1.00 0.00 H new ATOM 2297 N GLY A 145 105.787 -0.486 -8.411 1.00 0.00 N ATOM 2298 CA GLY A 145 105.051 -1.658 -8.967 1.00 0.00 C ATOM 2299 C GLY A 145 103.807 -1.179 -9.720 1.00 0.00 C ATOM 2300 O GLY A 145 103.920 -0.212 -10.454 1.00 0.00 O ATOM 2301 OXT GLY A 145 102.766 -1.791 -9.552 1.00 0.00 O ATOM 0 H GLY A 145 105.405 -0.101 -7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.699 -2.221 -9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.762 -2.333 -8.162 1.00 0.00 H new