USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1072 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 GLN :FLIP amide:sc= -0.684 F(o=-1.9,f=-0.74) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.0445 K(o=-0.74,f=-2.9!) USER MOD Set 1.3: A 108 ASN : amide:sc= -0.0125 K(o=-0.74,f=-2.7!) USER MOD Set 1.4: A 111 GLN : amide:sc= 0 K(o=-0.74,f=-3.2!) USER MOD Set 2.1: A 52 HIS :FLIP no HE2:sc= 0.0625 F(o=-1.1,f=0.062) USER MOD Set 2.2: A 79 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 39 SER OG : rot 8:sc= -1.44! USER MOD Set 3.2: A 68 TYR OH : rot -61:sc= -0.742! USER MOD Set 4.1: A 34 HIS : no HE2:sc= -3.02! C(o=-2.6!,f=-11!) USER MOD Set 4.2: A 143 SER OG : rot 110:sc= 0.399 USER MOD Single : A 9 THR OG1 : rot -14:sc= 0.266 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= -0.0055 K(o=-0.0055,f=-1.5!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 28 SER OG : rot -33:sc= 0.0055 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 155:sc= -0.144 (180deg=-0.994) USER MOD Single : A 53 ASN : amide:sc= -1.87! C(o=-1.9!,f=-4.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 170:sc= -3.51! (180deg=-4.65!) USER MOD Single : A 58 ASN : amide:sc= -3.95! C(o=-3.9!,f=-11!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -1.07 K(o=-1.1,f=-4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.6) USER MOD Single : A 89 SER OG : rot -170:sc= 0.0311 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -170:sc= 0.0649 USER MOD Single : A 98 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.2!) USER MOD Single : A 101 GLN : amide:sc= -1.9 K(o=-1.9,f=-5.3!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -139:sc= -1.28 (180deg=-2.76!) USER MOD Single : A 119 LYS NZ :NH3+ -156:sc= -0.0592 (180deg=-0.66) USER MOD Single : A 122 MET CE :methyl 148:sc= -0.101 (180deg=-0.824) 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= -7.1! C(o=-7.1!,f=-19!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.752 13.592 -4.686 1.00 0.00 N ATOM 142 CA THR A 9 105.862 14.496 -5.873 1.00 0.00 C ATOM 143 C THR A 9 107.303 14.513 -6.381 1.00 0.00 C ATOM 144 O THR A 9 108.202 14.023 -5.731 1.00 0.00 O ATOM 145 CB THR A 9 105.463 15.885 -5.370 1.00 0.00 C ATOM 146 OG1 THR A 9 106.150 16.170 -4.160 1.00 0.00 O ATOM 147 CG2 THR A 9 103.957 15.926 -5.131 1.00 0.00 C ATOM 0 HA THR A 9 105.227 14.168 -6.696 1.00 0.00 H new ATOM 0 HB THR A 9 105.730 16.632 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 9 106.536 15.344 -3.801 1.00 0.00 H new ATOM 0 HG21 THR A 9 103.672 16.915 -4.773 1.00 0.00 H new ATOM 0 HG22 THR A 9 103.435 15.714 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 9 103.686 15.178 -4.385 1.00 0.00 H new ATOM 155 N ALA A 10 107.541 15.088 -7.531 1.00 0.00 N ATOM 156 CA ALA A 10 108.940 15.146 -8.064 1.00 0.00 C ATOM 157 C ALA A 10 109.866 15.738 -7.005 1.00 0.00 C ATOM 158 O ALA A 10 110.967 15.275 -6.804 1.00 0.00 O ATOM 159 CB ALA A 10 108.854 16.057 -9.289 1.00 0.00 C ATOM 0 H ALA A 10 106.832 15.519 -8.124 1.00 0.00 H new ATOM 0 HA ALA A 10 109.338 14.165 -8.322 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.841 16.153 -9.741 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.163 15.627 -10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.496 17.041 -8.986 1.00 0.00 H new ATOM 165 N GLU A 11 109.415 16.740 -6.315 1.00 0.00 N ATOM 166 CA GLU A 11 110.256 17.349 -5.252 1.00 0.00 C ATOM 167 C GLU A 11 110.560 16.319 -4.154 1.00 0.00 C ATOM 168 O GLU A 11 111.688 16.173 -3.727 1.00 0.00 O ATOM 169 CB GLU A 11 109.397 18.478 -4.690 1.00 0.00 C ATOM 170 CG GLU A 11 109.183 19.548 -5.768 1.00 0.00 C ATOM 171 CD GLU A 11 108.234 20.636 -5.247 1.00 0.00 C ATOM 172 OE1 GLU A 11 107.797 20.535 -4.110 1.00 0.00 O ATOM 173 OE2 GLU A 11 107.961 21.556 -5.999 1.00 0.00 O1- ATOM 0 H GLU A 11 108.497 17.167 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 11 111.216 17.700 -5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.436 18.086 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 11 109.882 18.918 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.139 19.991 -6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 11 108.768 19.092 -6.667 1.00 0.00 H new ATOM 180 N GLU A 12 109.567 15.603 -3.694 1.00 0.00 N ATOM 181 CA GLU A 12 109.814 14.591 -2.622 1.00 0.00 C ATOM 182 C GLU A 12 110.624 13.409 -3.156 1.00 0.00 C ATOM 183 O GLU A 12 111.576 12.966 -2.543 1.00 0.00 O ATOM 184 CB GLU A 12 108.423 14.126 -2.203 1.00 0.00 C ATOM 185 CG GLU A 12 107.696 15.266 -1.489 1.00 0.00 C ATOM 186 CD GLU A 12 106.252 14.854 -1.172 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.866 13.751 -1.537 1.00 0.00 O1- ATOM 188 OE2 GLU A 12 105.553 15.651 -0.573 1.00 0.00 O ATOM 0 H GLU A 12 108.600 15.674 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 12 110.386 15.010 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.855 13.810 -3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.500 13.261 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.220 15.521 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.699 16.158 -2.115 1.00 0.00 H new ATOM 195 N GLU A 13 110.257 12.893 -4.295 1.00 0.00 N ATOM 196 CA GLU A 13 111.003 11.743 -4.874 1.00 0.00 C ATOM 197 C GLU A 13 112.439 12.157 -5.182 1.00 0.00 C ATOM 198 O GLU A 13 113.369 11.391 -5.023 1.00 0.00 O ATOM 199 CB GLU A 13 110.273 11.423 -6.174 1.00 0.00 C ATOM 200 CG GLU A 13 108.863 10.916 -5.866 1.00 0.00 C ATOM 201 CD GLU A 13 108.102 10.659 -7.174 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.655 10.930 -8.231 1.00 0.00 O ATOM 203 OE2 GLU A 13 106.980 10.188 -7.096 1.00 0.00 O1- ATOM 0 H GLU A 13 109.468 13.221 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 13 111.043 10.891 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.220 12.313 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.825 10.670 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 13 108.917 9.998 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.328 11.649 -5.262 1.00 0.00 H new ATOM 210 N LYS A 14 112.621 13.356 -5.643 1.00 0.00 N ATOM 211 CA LYS A 14 113.989 13.820 -5.987 1.00 0.00 C ATOM 212 C LYS A 14 114.888 13.867 -4.746 1.00 0.00 C ATOM 213 O LYS A 14 116.028 13.451 -4.785 1.00 0.00 O ATOM 214 CB LYS A 14 113.790 15.215 -6.570 1.00 0.00 C ATOM 215 CG LYS A 14 115.114 15.726 -7.119 1.00 0.00 C ATOM 216 CD LYS A 14 114.884 17.062 -7.819 1.00 0.00 C ATOM 217 CE LYS A 14 116.205 17.561 -8.400 1.00 0.00 C ATOM 218 NZ LYS A 14 115.850 18.806 -9.133 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.879 14.039 -5.798 1.00 0.00 H new ATOM 0 HA LYS A 14 114.484 13.147 -6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.042 15.187 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.416 15.892 -5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.835 15.845 -6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.535 15.003 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.145 16.948 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.485 17.791 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 14 116.934 17.759 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.648 16.822 -9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.706 19.212 -9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.160 18.585 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.436 19.493 -8.471 1.00 0.00 H new ATOM 232 N ALA A 15 114.399 14.389 -3.650 1.00 0.00 N ATOM 233 CA ALA A 15 115.254 14.474 -2.427 1.00 0.00 C ATOM 234 C ALA A 15 115.611 13.079 -1.896 1.00 0.00 C ATOM 235 O ALA A 15 116.739 12.834 -1.513 1.00 0.00 O ATOM 236 CB ALA A 15 114.425 15.252 -1.405 1.00 0.00 C ATOM 0 H ALA A 15 113.453 14.757 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 15 116.203 14.966 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.991 15.354 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.195 16.241 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.497 14.716 -1.206 1.00 0.00 H new ATOM 242 N ILE A 16 114.677 12.159 -1.860 1.00 0.00 N ATOM 243 CA ILE A 16 115.014 10.801 -1.343 1.00 0.00 C ATOM 244 C ILE A 16 115.977 10.091 -2.299 1.00 0.00 C ATOM 245 O ILE A 16 116.892 9.404 -1.883 1.00 0.00 O ATOM 246 CB ILE A 16 113.686 10.044 -1.209 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.944 8.734 -0.465 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.086 9.736 -2.585 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.623 8.171 0.060 1.00 0.00 C ATOM 0 H ILE A 16 113.711 12.289 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 16 115.519 10.852 -0.378 1.00 0.00 H new ATOM 0 HB ILE A 16 112.979 10.666 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.418 8.013 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.633 8.904 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.146 9.199 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.903 10.668 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.782 9.121 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.810 7.237 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.166 8.889 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.949 7.985 -0.776 1.00 0.00 H new ATOM 261 N VAL A 17 115.798 10.277 -3.578 1.00 0.00 N ATOM 262 CA VAL A 17 116.718 9.642 -4.558 1.00 0.00 C ATOM 263 C VAL A 17 118.120 10.202 -4.328 1.00 0.00 C ATOM 264 O VAL A 17 119.102 9.485 -4.349 1.00 0.00 O ATOM 265 CB VAL A 17 116.168 10.047 -5.935 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.184 9.709 -7.034 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.868 9.285 -6.204 1.00 0.00 C ATOM 0 H VAL A 17 115.053 10.842 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 17 116.778 8.557 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 17 115.981 11.121 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.781 10.001 -8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.113 10.249 -6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.380 8.637 -7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.475 9.570 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.065 8.213 -6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.137 9.529 -5.433 1.00 0.00 H new ATOM 277 N ASP A 18 118.215 11.481 -4.118 1.00 0.00 N ATOM 278 CA ASP A 18 119.554 12.083 -3.899 1.00 0.00 C ATOM 279 C ASP A 18 120.187 11.481 -2.646 1.00 0.00 C ATOM 280 O ASP A 18 121.373 11.232 -2.598 1.00 0.00 O ATOM 281 CB ASP A 18 119.332 13.587 -3.739 1.00 0.00 C ATOM 282 CG ASP A 18 120.688 14.295 -3.637 1.00 0.00 C ATOM 283 OD1 ASP A 18 121.686 13.618 -3.430 1.00 0.00 O1- ATOM 284 OD2 ASP A 18 120.708 15.508 -3.764 1.00 0.00 O ATOM 0 H ASP A 18 117.430 12.132 -4.089 1.00 0.00 H new ATOM 0 HA ASP A 18 120.231 11.886 -4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.770 13.975 -4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 18 118.738 13.785 -2.847 1.00 0.00 H new ATOM 289 N ALA A 19 119.401 11.235 -1.635 1.00 0.00 N ATOM 290 CA ALA A 19 119.965 10.635 -0.394 1.00 0.00 C ATOM 291 C ALA A 19 120.566 9.266 -0.725 1.00 0.00 C ATOM 292 O ALA A 19 121.580 8.873 -0.186 1.00 0.00 O ATOM 293 CB ALA A 19 118.781 10.503 0.565 1.00 0.00 C ATOM 0 H ALA A 19 118.399 11.422 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 19 120.759 11.238 0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.121 10.067 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.355 11.488 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 19 118.022 9.860 0.120 1.00 0.00 H new ATOM 299 N ILE A 20 119.944 8.540 -1.615 1.00 0.00 N ATOM 300 CA ILE A 20 120.477 7.197 -1.993 1.00 0.00 C ATOM 301 C ILE A 20 121.849 7.355 -2.665 1.00 0.00 C ATOM 302 O ILE A 20 122.779 6.623 -2.384 1.00 0.00 O ATOM 303 CB ILE A 20 119.447 6.637 -2.978 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.125 6.394 -2.247 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.941 5.308 -3.554 1.00 0.00 C ATOM 306 CD1 ILE A 20 117.027 6.087 -3.268 1.00 0.00 C ATOM 0 H ILE A 20 119.089 8.818 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 20 120.618 6.538 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 20 119.304 7.355 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.230 5.563 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.855 7.272 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.202 4.917 -4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.885 5.466 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.088 4.593 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 20 116.085 5.914 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.916 6.932 -3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.297 5.197 -3.836 1.00 0.00 H new ATOM 318 N ARG A 21 121.980 8.308 -3.548 1.00 0.00 N ATOM 319 CA ARG A 21 123.289 8.517 -4.237 1.00 0.00 C ATOM 320 C ARG A 21 124.382 8.798 -3.205 1.00 0.00 C ATOM 321 O ARG A 21 125.491 8.309 -3.303 1.00 0.00 O ATOM 322 CB ARG A 21 123.074 9.751 -5.119 1.00 0.00 C ATOM 323 CG ARG A 21 122.156 9.398 -6.293 1.00 0.00 C ATOM 324 CD ARG A 21 121.948 10.639 -7.167 1.00 0.00 C ATOM 325 NE ARG A 21 121.044 10.196 -8.267 1.00 0.00 N ATOM 326 CZ ARG A 21 121.544 9.765 -9.396 1.00 0.00 C ATOM 327 NH1 ARG A 21 122.398 10.500 -10.056 1.00 0.00 N ATOM 328 NH2 ARG A 21 121.186 8.602 -9.867 1.00 0.00 N1+ ATOM 0 H ARG A 21 121.238 8.952 -3.823 1.00 0.00 H new ATOM 0 HA ARG A 21 123.599 7.645 -4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.634 10.557 -4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 21 124.032 10.114 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.595 8.593 -6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.197 9.035 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.503 11.453 -6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 21 122.896 11.007 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 21 120.033 10.229 -8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 21 122.676 11.411 -9.691 1.00 0.00 H new ATOM 0 HH12 ARG A 21 122.787 10.163 -10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 21 120.516 8.029 -9.355 1.00 0.00 H new ATOM 0 HH22 ARG A 21 121.576 8.266 -10.748 1.00 0.00 H new ATOM 342 N ASP A 22 124.072 9.590 -2.218 1.00 0.00 N ATOM 343 CA ASP A 22 125.075 9.924 -1.167 1.00 0.00 C ATOM 344 C ASP A 22 125.481 8.685 -0.357 1.00 0.00 C ATOM 345 O ASP A 22 126.627 8.540 0.023 1.00 0.00 O ATOM 346 CB ASP A 22 124.370 10.947 -0.272 1.00 0.00 C ATOM 347 CG ASP A 22 124.539 12.356 -0.854 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.318 12.510 -1.782 1.00 0.00 O ATOM 349 OD2 ASP A 22 123.886 13.260 -0.359 1.00 0.00 O1- ATOM 0 H ASP A 22 123.158 10.025 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 22 125.998 10.310 -1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.311 10.703 -0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.785 10.908 0.735 1.00 0.00 H new ATOM 354 N ALA A 23 124.562 7.795 -0.074 1.00 0.00 N ATOM 355 CA ALA A 23 124.941 6.589 0.728 1.00 0.00 C ATOM 356 C ALA A 23 125.933 5.725 -0.060 1.00 0.00 C ATOM 357 O ALA A 23 126.873 5.192 0.493 1.00 0.00 O ATOM 358 CB ALA A 23 123.639 5.837 1.002 1.00 0.00 C ATOM 0 H ALA A 23 123.583 7.848 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 23 125.433 6.857 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.852 4.942 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.957 6.480 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.178 5.551 0.057 1.00 0.00 H new ATOM 364 N GLU A 24 125.734 5.579 -1.350 1.00 0.00 N ATOM 365 CA GLU A 24 126.681 4.748 -2.159 1.00 0.00 C ATOM 366 C GLU A 24 128.103 5.317 -2.100 1.00 0.00 C ATOM 367 O GLU A 24 129.061 4.632 -2.402 1.00 0.00 O ATOM 368 CB GLU A 24 126.147 4.787 -3.585 1.00 0.00 C ATOM 369 CG GLU A 24 124.870 3.952 -3.679 1.00 0.00 C ATOM 370 CD GLU A 24 124.357 3.939 -5.124 1.00 0.00 C ATOM 371 OE1 GLU A 24 124.957 4.599 -5.962 1.00 0.00 O ATOM 372 OE2 GLU A 24 123.376 3.260 -5.372 1.00 0.00 O1- ATOM 0 H GLU A 24 124.964 5.996 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 24 126.740 3.729 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 24 125.943 5.816 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.897 4.401 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 24 125.066 2.933 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.107 4.363 -3.017 1.00 0.00 H new ATOM 379 N LYS A 25 128.256 6.538 -1.666 1.00 0.00 N ATOM 380 CA LYS A 25 129.622 7.101 -1.534 1.00 0.00 C ATOM 381 C LYS A 25 130.129 6.860 -0.093 1.00 0.00 C ATOM 382 O LYS A 25 131.277 7.107 0.212 1.00 0.00 O ATOM 383 CB LYS A 25 129.467 8.584 -1.847 1.00 0.00 C ATOM 384 CG LYS A 25 128.997 8.743 -3.294 1.00 0.00 C ATOM 385 CD LYS A 25 128.737 10.220 -3.578 1.00 0.00 C ATOM 386 CE LYS A 25 128.260 10.393 -5.023 1.00 0.00 C ATOM 387 NZ LYS A 25 128.011 11.856 -5.174 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.496 7.164 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 25 130.350 6.642 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.748 9.039 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.416 9.100 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.752 8.356 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.089 8.163 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 25 127.986 10.606 -2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.647 10.797 -3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.012 10.045 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.354 9.817 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.681 12.054 -6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.286 12.157 -4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 128.892 12.378 -4.996 1.00 0.00 H new ATOM 401 N ASN A 26 129.286 6.347 0.784 1.00 0.00 N ATOM 402 CA ASN A 26 129.715 6.054 2.171 1.00 0.00 C ATOM 403 C ASN A 26 129.883 4.537 2.353 1.00 0.00 C ATOM 404 O ASN A 26 130.460 4.085 3.320 1.00 0.00 O ATOM 405 CB ASN A 26 128.567 6.564 3.039 1.00 0.00 C ATOM 406 CG ASN A 26 128.518 8.090 2.971 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.488 8.726 2.611 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.418 8.709 3.302 1.00 0.00 N ATOM 0 H ASN A 26 128.312 6.122 0.582 1.00 0.00 H new ATOM 0 HA ASN A 26 130.667 6.519 2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.622 6.143 2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.704 6.239 4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.373 9.727 3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.603 8.175 3.604 1.00 0.00 H new ATOM 415 N THR A 27 129.384 3.744 1.429 1.00 0.00 N ATOM 416 CA THR A 27 129.522 2.267 1.558 1.00 0.00 C ATOM 417 C THR A 27 129.542 1.611 0.172 1.00 0.00 C ATOM 418 O THR A 27 129.012 2.144 -0.786 1.00 0.00 O ATOM 419 CB THR A 27 128.279 1.813 2.335 1.00 0.00 C ATOM 420 OG1 THR A 27 128.256 0.390 2.408 1.00 0.00 O ATOM 421 CG2 THR A 27 127.011 2.300 1.623 1.00 0.00 C ATOM 0 H THR A 27 128.889 4.062 0.595 1.00 0.00 H new ATOM 0 HA THR A 27 130.448 1.988 2.062 1.00 0.00 H new ATOM 0 HB THR A 27 128.315 2.234 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.463 0.101 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.133 1.974 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 27 127.021 3.388 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.977 1.884 0.616 1.00 0.00 H new ATOM 429 N SER A 28 130.101 0.439 0.072 1.00 0.00 N ATOM 430 CA SER A 28 130.101 -0.279 -1.227 1.00 0.00 C ATOM 431 C SER A 28 128.791 -1.091 -1.354 1.00 0.00 C ATOM 432 O SER A 28 128.507 -1.654 -2.392 1.00 0.00 O ATOM 433 CB SER A 28 131.325 -1.194 -1.170 1.00 0.00 C ATOM 434 OG SER A 28 131.616 -1.683 -2.474 1.00 0.00 O ATOM 0 H SER A 28 130.560 -0.053 0.839 1.00 0.00 H new ATOM 0 HA SER A 28 130.150 0.386 -2.090 1.00 0.00 H new ATOM 0 HB2 SER A 28 132.182 -0.648 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 28 131.138 -2.026 -0.492 1.00 0.00 H new ATOM 0 HG SER A 28 130.782 -1.788 -2.978 1.00 0.00 H new ATOM 440 N GLY A 29 127.986 -1.145 -0.303 1.00 0.00 N ATOM 441 CA GLY A 29 126.712 -1.897 -0.363 1.00 0.00 C ATOM 442 C GLY A 29 125.706 -1.116 -1.203 1.00 0.00 C ATOM 443 O GLY A 29 125.963 0.002 -1.611 1.00 0.00 O ATOM 0 H GLY A 29 128.174 -0.692 0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.878 -2.883 -0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.321 -2.053 0.642 1.00 0.00 H new ATOM 447 N GLU A 30 124.569 -1.688 -1.477 1.00 0.00 N ATOM 448 CA GLU A 30 123.565 -0.955 -2.311 1.00 0.00 C ATOM 449 C GLU A 30 122.161 -1.007 -1.686 1.00 0.00 C ATOM 450 O GLU A 30 121.720 -2.027 -1.194 1.00 0.00 O ATOM 451 CB GLU A 30 123.593 -1.647 -3.676 1.00 0.00 C ATOM 452 CG GLU A 30 124.950 -1.390 -4.353 1.00 0.00 C ATOM 453 CD GLU A 30 125.938 -2.504 -4.000 1.00 0.00 C ATOM 454 OE1 GLU A 30 125.604 -3.333 -3.169 1.00 0.00 O ATOM 455 OE2 GLU A 30 127.012 -2.516 -4.581 1.00 0.00 O1- ATOM 0 H GLU A 30 124.289 -2.618 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 30 123.808 0.105 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.431 -2.718 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.785 -1.271 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 30 124.821 -1.338 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.347 -0.427 -4.033 1.00 0.00 H new ATOM 462 N ILE A 31 121.466 0.108 -1.702 1.00 0.00 N ATOM 463 CA ILE A 31 120.092 0.171 -1.109 1.00 0.00 C ATOM 464 C ILE A 31 119.065 0.557 -2.184 1.00 0.00 C ATOM 465 O ILE A 31 119.271 1.478 -2.948 1.00 0.00 O ATOM 466 CB ILE A 31 120.187 1.263 -0.040 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.176 0.824 1.041 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.810 1.491 0.590 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.569 2.028 1.899 1.00 0.00 C ATOM 0 H ILE A 31 121.797 0.985 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 31 119.770 -0.785 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 31 120.530 2.191 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.728 0.051 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 31 122.063 0.388 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.882 2.269 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.104 1.801 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.462 0.566 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.274 1.712 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 31 122.035 2.787 1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.679 2.444 2.371 1.00 0.00 H new ATOM 481 N ARG A 32 117.955 -0.131 -2.241 1.00 0.00 N ATOM 482 CA ARG A 32 116.914 0.207 -3.258 1.00 0.00 C ATOM 483 C ARG A 32 115.517 0.101 -2.631 1.00 0.00 C ATOM 484 O ARG A 32 115.308 -0.622 -1.677 1.00 0.00 O ATOM 485 CB ARG A 32 117.100 -0.814 -4.381 1.00 0.00 C ATOM 486 CG ARG A 32 116.161 -0.482 -5.544 1.00 0.00 C ATOM 487 CD ARG A 32 116.469 -1.415 -6.718 1.00 0.00 C ATOM 488 NE ARG A 32 115.658 -0.893 -7.853 1.00 0.00 N ATOM 489 CZ ARG A 32 115.747 -1.449 -9.034 1.00 0.00 C ATOM 490 NH1 ARG A 32 116.105 -2.701 -9.147 1.00 0.00 N1+ ATOM 491 NH2 ARG A 32 115.479 -0.751 -10.103 1.00 0.00 N ATOM 0 H ARG A 32 117.724 -0.912 -1.628 1.00 0.00 H new ATOM 0 HA ARG A 32 117.011 1.226 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 32 118.135 -0.807 -4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.894 -1.818 -4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 32 115.123 -0.598 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.289 0.557 -5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.532 -1.409 -6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 32 116.201 -2.445 -6.483 1.00 0.00 H new ATOM 0 HE ARG A 32 115.032 -0.101 -7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 32 116.316 -3.248 -8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 32 116.173 -3.131 -10.070 1.00 0.00 H new ATOM 0 HH21 ARG A 32 115.201 0.227 -10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 32 115.548 -1.183 -11.025 1.00 0.00 H new ATOM 505 N VAL A 33 114.570 0.839 -3.145 1.00 0.00 N ATOM 506 CA VAL A 33 113.194 0.810 -2.566 1.00 0.00 C ATOM 507 C VAL A 33 112.151 0.435 -3.633 1.00 0.00 C ATOM 508 O VAL A 33 112.202 0.889 -4.760 1.00 0.00 O ATOM 509 CB VAL A 33 112.962 2.240 -2.047 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.495 2.429 -1.627 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.861 2.490 -0.835 1.00 0.00 C ATOM 0 H VAL A 33 114.690 1.463 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 33 113.096 0.063 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 33 113.198 2.944 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.349 3.446 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.846 2.254 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.249 1.721 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.699 3.502 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.620 1.774 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.905 2.373 -1.126 1.00 0.00 H new ATOM 521 N HIS A 34 111.188 -0.367 -3.261 1.00 0.00 N ATOM 522 CA HIS A 34 110.107 -0.757 -4.213 1.00 0.00 C ATOM 523 C HIS A 34 108.750 -0.370 -3.618 1.00 0.00 C ATOM 524 O HIS A 34 108.476 -0.601 -2.457 1.00 0.00 O ATOM 525 CB HIS A 34 110.209 -2.272 -4.365 1.00 0.00 C ATOM 526 CG HIS A 34 109.256 -2.723 -5.436 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.585 -2.681 -6.780 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.976 -3.216 -5.378 1.00 0.00 C ATOM 529 CE1 HIS A 34 108.525 -3.135 -7.472 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.516 -3.475 -6.665 1.00 0.00 N ATOM 0 H HIS A 34 111.104 -0.772 -2.329 1.00 0.00 H new ATOM 0 HA HIS A 34 110.206 -0.259 -5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.229 -2.556 -4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 34 109.972 -2.762 -3.420 1.00 0.00 H new ATOM 0 HD1 HIS A 34 110.471 -2.363 -7.174 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.412 -3.378 -4.471 1.00 0.00 H new ATOM 0 HE1 HIS A 34 108.493 -3.215 -8.549 1.00 0.00 H new ATOM 538 N LEU A 35 107.916 0.250 -4.406 1.00 0.00 N ATOM 539 CA LEU A 35 106.585 0.696 -3.904 1.00 0.00 C ATOM 540 C LEU A 35 105.433 0.131 -4.744 1.00 0.00 C ATOM 541 O LEU A 35 105.452 0.146 -5.963 1.00 0.00 O ATOM 542 CB LEU A 35 106.618 2.220 -4.030 1.00 0.00 C ATOM 543 CG LEU A 35 105.353 2.809 -3.401 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.288 2.425 -1.925 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.378 4.329 -3.521 1.00 0.00 C ATOM 0 H LEU A 35 108.101 0.469 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 35 106.413 0.349 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.503 2.618 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.684 2.508 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 35 104.480 2.416 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.387 2.845 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.266 1.339 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.165 2.816 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.476 4.744 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.254 4.720 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.422 4.610 -4.573 1.00 0.00 H new ATOM 557 N GLU A 36 104.408 -0.326 -4.075 1.00 0.00 N ATOM 558 CA GLU A 36 103.197 -0.848 -4.774 1.00 0.00 C ATOM 559 C GLU A 36 101.988 -0.631 -3.853 1.00 0.00 C ATOM 560 O GLU A 36 102.134 -0.377 -2.669 1.00 0.00 O ATOM 561 CB GLU A 36 103.460 -2.332 -5.067 1.00 0.00 C ATOM 562 CG GLU A 36 102.281 -2.927 -5.854 1.00 0.00 C ATOM 563 CD GLU A 36 102.273 -2.381 -7.285 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.231 -1.723 -7.659 1.00 0.00 O1- ATOM 565 OE2 GLU A 36 101.312 -2.644 -7.991 1.00 0.00 O ATOM 0 H GLU A 36 104.358 -0.360 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 36 102.988 -0.338 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.382 -2.441 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.597 -2.877 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 36 102.358 -4.014 -5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 36 101.342 -2.682 -5.358 1.00 0.00 H new ATOM 572 N LYS A 37 100.797 -0.677 -4.388 1.00 0.00 N ATOM 573 CA LYS A 37 99.593 -0.420 -3.549 1.00 0.00 C ATOM 574 C LYS A 37 99.279 -1.584 -2.607 1.00 0.00 C ATOM 575 O LYS A 37 99.474 -1.491 -1.409 1.00 0.00 O ATOM 576 CB LYS A 37 98.460 -0.188 -4.548 1.00 0.00 C ATOM 577 CG LYS A 37 98.721 1.112 -5.316 1.00 0.00 C ATOM 578 CD LYS A 37 97.599 1.340 -6.334 1.00 0.00 C ATOM 579 CE LYS A 37 97.831 2.664 -7.068 1.00 0.00 C ATOM 580 NZ LYS A 37 96.679 2.787 -8.006 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.607 -0.881 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 37 99.745 0.436 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.394 -1.026 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.505 -0.130 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.773 1.952 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.683 1.059 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.570 0.517 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.634 1.357 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.865 3.502 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.779 2.657 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.765 3.671 -8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.677 1.979 -8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.791 2.797 -7.465 1.00 0.00 H new ATOM 594 N THR A 38 98.795 -2.666 -3.131 1.00 0.00 N ATOM 595 CA THR A 38 98.465 -3.837 -2.267 1.00 0.00 C ATOM 596 C THR A 38 98.812 -5.132 -3.006 1.00 0.00 C ATOM 597 O THR A 38 98.911 -5.155 -4.216 1.00 0.00 O ATOM 598 CB THR A 38 96.959 -3.742 -2.020 1.00 0.00 C ATOM 599 OG1 THR A 38 96.524 -4.890 -1.306 1.00 0.00 O ATOM 600 CG2 THR A 38 96.224 -3.664 -3.361 1.00 0.00 C ATOM 0 H THR A 38 98.610 -2.797 -4.126 1.00 0.00 H new ATOM 0 HA THR A 38 99.023 -3.838 -1.331 1.00 0.00 H new ATOM 0 HB THR A 38 96.742 -2.847 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.559 -4.829 -1.146 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.151 -3.596 -3.184 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.558 -2.782 -3.908 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.440 -4.558 -3.947 1.00 0.00 H new ATOM 608 N SER A 39 99.010 -6.204 -2.288 1.00 0.00 N ATOM 609 CA SER A 39 99.367 -7.488 -2.956 1.00 0.00 C ATOM 610 C SER A 39 98.203 -8.479 -2.911 1.00 0.00 C ATOM 611 O SER A 39 97.199 -8.253 -2.264 1.00 0.00 O ATOM 612 CB SER A 39 100.556 -8.026 -2.167 1.00 0.00 C ATOM 613 OG SER A 39 101.637 -7.109 -2.270 1.00 0.00 O ATOM 0 H SER A 39 98.940 -6.246 -1.271 1.00 0.00 H new ATOM 0 HA SER A 39 99.601 -7.340 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.281 -8.167 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 39 100.853 -9.001 -2.553 1.00 0.00 H new ATOM 0 HG SER A 39 101.332 -6.293 -2.718 1.00 0.00 H new ATOM 619 N GLU A 40 98.339 -9.579 -3.598 1.00 0.00 N ATOM 620 CA GLU A 40 97.255 -10.602 -3.614 1.00 0.00 C ATOM 621 C GLU A 40 97.665 -11.835 -2.792 1.00 0.00 C ATOM 622 O GLU A 40 96.829 -12.600 -2.352 1.00 0.00 O ATOM 623 CB GLU A 40 97.091 -10.967 -5.091 1.00 0.00 C ATOM 624 CG GLU A 40 95.863 -11.867 -5.262 1.00 0.00 C ATOM 625 CD GLU A 40 94.587 -11.074 -4.946 1.00 0.00 C ATOM 626 OE1 GLU A 40 94.680 -9.866 -4.778 1.00 0.00 O ATOM 627 OE2 GLU A 40 93.539 -11.691 -4.872 1.00 0.00 O1- ATOM 0 H GLU A 40 99.161 -9.815 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 40 96.328 -10.232 -3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 40 96.979 -10.063 -5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 40 97.983 -11.479 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 40 95.821 -12.250 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 40 95.939 -12.730 -4.601 1.00 0.00 H new ATOM 634 N ILE A 41 98.940 -12.035 -2.579 1.00 0.00 N ATOM 635 CA ILE A 41 99.388 -13.224 -1.783 1.00 0.00 C ATOM 636 C ILE A 41 100.103 -12.778 -0.487 1.00 0.00 C ATOM 637 O ILE A 41 99.527 -12.066 0.309 1.00 0.00 O ATOM 638 CB ILE A 41 100.304 -14.021 -2.721 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.426 -13.125 -3.266 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.490 -14.585 -3.879 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.505 -14.002 -3.909 1.00 0.00 C ATOM 0 H ILE A 41 99.689 -11.432 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 41 98.553 -13.841 -1.450 1.00 0.00 H new ATOM 0 HB ILE A 41 100.752 -14.840 -2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.025 -12.425 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.856 -12.530 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.145 -15.150 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.712 -15.242 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.030 -13.767 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.304 -13.370 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 41 102.912 -14.684 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.068 -14.577 -4.725 1.00 0.00 H new ATOM 653 N ASP A 42 101.344 -13.165 -0.267 1.00 0.00 N ATOM 654 CA ASP A 42 102.040 -12.730 0.964 1.00 0.00 C ATOM 655 C ASP A 42 103.128 -11.719 0.600 1.00 0.00 C ATOM 656 O ASP A 42 103.884 -11.908 -0.332 1.00 0.00 O ATOM 657 CB ASP A 42 102.622 -14.012 1.560 1.00 0.00 C ATOM 658 CG ASP A 42 103.309 -13.712 2.893 1.00 0.00 C ATOM 659 OD1 ASP A 42 103.448 -12.545 3.223 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 103.692 -14.658 3.558 1.00 0.00 O ATOM 0 H ASP A 42 101.890 -13.759 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 42 101.385 -12.234 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 42 101.829 -14.745 1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.337 -14.452 0.865 1.00 0.00 H new ATOM 665 N VAL A 43 103.180 -10.630 1.316 1.00 0.00 N ATOM 666 CA VAL A 43 104.185 -9.571 1.014 1.00 0.00 C ATOM 667 C VAL A 43 105.619 -10.092 1.185 1.00 0.00 C ATOM 668 O VAL A 43 106.476 -9.834 0.367 1.00 0.00 O ATOM 669 CB VAL A 43 103.889 -8.446 2.007 1.00 0.00 C ATOM 670 CG1 VAL A 43 104.933 -7.335 1.849 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.497 -7.873 1.723 1.00 0.00 C ATOM 0 H VAL A 43 102.565 -10.426 2.104 1.00 0.00 H new ATOM 0 HA VAL A 43 104.114 -9.234 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 43 103.926 -8.840 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 43 104.721 -6.534 2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 43 105.926 -7.739 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 43 104.895 -6.941 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.283 -7.071 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.466 -7.480 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 43 101.751 -8.660 1.831 1.00 0.00 H new ATOM 681 N PHE A 44 105.891 -10.821 2.234 1.00 0.00 N ATOM 682 CA PHE A 44 107.277 -11.347 2.423 1.00 0.00 C ATOM 683 C PHE A 44 107.654 -12.234 1.235 1.00 0.00 C ATOM 684 O PHE A 44 108.692 -12.053 0.624 1.00 0.00 O ATOM 685 CB PHE A 44 107.227 -12.169 3.716 1.00 0.00 C ATOM 686 CG PHE A 44 108.575 -12.807 3.966 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.706 -12.004 4.159 1.00 0.00 C ATOM 688 CD2 PHE A 44 108.693 -14.202 4.000 1.00 0.00 C ATOM 689 CE1 PHE A 44 110.955 -12.596 4.388 1.00 0.00 C ATOM 690 CE2 PHE A 44 109.942 -14.794 4.228 1.00 0.00 C ATOM 691 CZ PHE A 44 111.073 -13.991 4.422 1.00 0.00 C ATOM 0 H PHE A 44 105.223 -11.074 2.962 1.00 0.00 H new ATOM 0 HA PHE A 44 108.020 -10.552 2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 44 106.956 -11.529 4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.458 -12.938 3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.615 -10.928 4.131 1.00 0.00 H new ATOM 0 HD2 PHE A 44 107.821 -14.821 3.850 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.827 -11.977 4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.033 -15.870 4.254 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.036 -14.448 4.598 1.00 0.00 H new ATOM 701 N ASP A 45 106.801 -13.140 0.852 1.00 0.00 N ATOM 702 CA ASP A 45 107.107 -13.981 -0.340 1.00 0.00 C ATOM 703 C ASP A 45 107.081 -13.082 -1.581 1.00 0.00 C ATOM 704 O ASP A 45 107.849 -13.263 -2.504 1.00 0.00 O ATOM 705 CB ASP A 45 105.985 -15.017 -0.399 1.00 0.00 C ATOM 706 CG ASP A 45 106.335 -16.202 0.504 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.512 -16.414 0.739 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.418 -16.878 0.940 1.00 0.00 O ATOM 0 H ASP A 45 105.910 -13.335 1.308 1.00 0.00 H new ATOM 0 HA ASP A 45 108.083 -14.464 -0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.044 -14.568 -0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.844 -15.357 -1.425 1.00 0.00 H new ATOM 713 N ARG A 46 106.209 -12.118 -1.610 1.00 0.00 N ATOM 714 CA ARG A 46 106.136 -11.211 -2.791 1.00 0.00 C ATOM 715 C ARG A 46 107.420 -10.392 -2.947 1.00 0.00 C ATOM 716 O ARG A 46 107.917 -10.229 -4.046 1.00 0.00 O ATOM 717 CB ARG A 46 104.966 -10.275 -2.518 1.00 0.00 C ATOM 718 CG ARG A 46 104.778 -9.375 -3.739 1.00 0.00 C ATOM 719 CD ARG A 46 103.629 -8.401 -3.502 1.00 0.00 C ATOM 720 NE ARG A 46 103.434 -7.733 -4.819 1.00 0.00 N ATOM 721 CZ ARG A 46 104.189 -6.725 -5.158 1.00 0.00 C ATOM 722 NH1 ARG A 46 105.350 -6.934 -5.711 1.00 0.00 N1+ ATOM 723 NH2 ARG A 46 103.786 -5.510 -4.947 1.00 0.00 N ATOM 0 H ARG A 46 105.541 -11.916 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 46 106.010 -11.783 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 46 104.059 -10.847 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.159 -9.674 -1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.697 -8.824 -3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.573 -9.983 -4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.726 -8.921 -3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.874 -7.679 -2.723 1.00 0.00 H new ATOM 0 HE ARG A 46 102.710 -8.064 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 46 105.670 -7.888 -5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 46 105.939 -6.144 -5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 46 102.877 -5.342 -4.515 1.00 0.00 H new ATOM 0 HH22 ARG A 46 104.378 -4.723 -5.213 1.00 0.00 H new ATOM 737 N ALA A 47 107.962 -9.862 -1.884 1.00 0.00 N ATOM 738 CA ALA A 47 109.205 -9.050 -2.022 1.00 0.00 C ATOM 739 C ALA A 47 110.357 -9.935 -2.496 1.00 0.00 C ATOM 740 O ALA A 47 111.173 -9.523 -3.291 1.00 0.00 O ATOM 741 CB ALA A 47 109.472 -8.469 -0.635 1.00 0.00 C ATOM 0 H ALA A 47 107.602 -9.955 -0.934 1.00 0.00 H new ATOM 0 HA ALA A 47 109.103 -8.255 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.375 -7.859 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.627 -7.852 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.605 -9.281 0.080 1.00 0.00 H new ATOM 747 N MET A 48 110.415 -11.153 -2.042 1.00 0.00 N ATOM 748 CA MET A 48 111.501 -12.060 -2.510 1.00 0.00 C ATOM 749 C MET A 48 111.379 -12.246 -4.027 1.00 0.00 C ATOM 750 O MET A 48 112.359 -12.199 -4.744 1.00 0.00 O ATOM 751 CB MET A 48 111.248 -13.377 -1.783 1.00 0.00 C ATOM 752 CG MET A 48 112.349 -14.380 -2.133 1.00 0.00 C ATOM 753 SD MET A 48 112.128 -15.885 -1.149 1.00 0.00 S ATOM 754 CE MET A 48 110.574 -16.437 -1.896 1.00 0.00 C ATOM 0 H MET A 48 109.763 -11.560 -1.371 1.00 0.00 H new ATOM 0 HA MET A 48 112.500 -11.674 -2.306 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.224 -13.210 -0.706 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.275 -13.778 -2.065 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.314 -14.619 -3.196 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.329 -13.944 -1.936 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.478 -17.517 -1.780 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.737 -15.943 -1.402 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.570 -16.184 -2.956 1.00 0.00 H new ATOM 764 N ASP A 49 110.187 -12.432 -4.528 1.00 0.00 N ATOM 765 CA ASP A 49 110.022 -12.590 -6.001 1.00 0.00 C ATOM 766 C ASP A 49 110.441 -11.312 -6.719 1.00 0.00 C ATOM 767 O ASP A 49 111.178 -11.344 -7.674 1.00 0.00 O ATOM 768 CB ASP A 49 108.536 -12.877 -6.224 1.00 0.00 C ATOM 769 CG ASP A 49 108.261 -14.377 -6.066 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.213 -15.133 -5.941 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.100 -14.744 -6.084 1.00 0.00 O ATOM 0 H ASP A 49 109.325 -12.481 -3.984 1.00 0.00 H new ATOM 0 HA ASP A 49 110.644 -13.393 -6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 49 107.937 -12.312 -5.510 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.239 -12.548 -7.220 1.00 0.00 H new ATOM 776 N VAL A 50 109.992 -10.186 -6.249 1.00 0.00 N ATOM 777 CA VAL A 50 110.380 -8.899 -6.892 1.00 0.00 C ATOM 778 C VAL A 50 111.889 -8.672 -6.736 1.00 0.00 C ATOM 779 O VAL A 50 112.559 -8.271 -7.669 1.00 0.00 O ATOM 780 CB VAL A 50 109.579 -7.831 -6.139 1.00 0.00 C ATOM 781 CG1 VAL A 50 110.033 -6.432 -6.565 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.089 -7.994 -6.449 1.00 0.00 C ATOM 0 H VAL A 50 109.371 -10.098 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 50 110.170 -8.879 -7.961 1.00 0.00 H new ATOM 0 HB VAL A 50 109.749 -7.952 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.457 -5.682 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 50 111.092 -6.309 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.874 -6.308 -7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.521 -7.234 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.926 -7.881 -7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.758 -8.984 -6.134 1.00 0.00 H new ATOM 792 N PHE A 51 112.429 -8.916 -5.578 1.00 0.00 N ATOM 793 CA PHE A 51 113.894 -8.702 -5.391 1.00 0.00 C ATOM 794 C PHE A 51 114.670 -9.576 -6.372 1.00 0.00 C ATOM 795 O PHE A 51 115.541 -9.110 -7.078 1.00 0.00 O ATOM 796 CB PHE A 51 114.185 -9.153 -3.961 1.00 0.00 C ATOM 797 CG PHE A 51 115.655 -8.965 -3.670 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.577 -9.938 -4.063 1.00 0.00 C ATOM 799 CD2 PHE A 51 116.093 -7.815 -3.011 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.942 -9.760 -3.796 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.456 -7.633 -2.742 1.00 0.00 C ATOM 802 CZ PHE A 51 118.380 -8.606 -3.136 1.00 0.00 C ATOM 0 H PHE A 51 111.927 -9.252 -4.756 1.00 0.00 H new ATOM 0 HA PHE A 51 114.184 -7.665 -5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.586 -8.576 -3.256 1.00 0.00 H new ATOM 0 HB3 PHE A 51 113.908 -10.199 -3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.238 -10.828 -4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 51 115.379 -7.063 -2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.655 -10.513 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 51 117.792 -6.743 -2.231 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.431 -8.467 -2.931 1.00 0.00 H new ATOM 812 N HIS A 52 114.346 -10.833 -6.438 1.00 0.00 N ATOM 813 CA HIS A 52 115.049 -11.733 -7.391 1.00 0.00 C ATOM 814 C HIS A 52 114.612 -11.393 -8.824 1.00 0.00 C ATOM 815 O HIS A 52 115.400 -11.434 -9.746 1.00 0.00 O ATOM 816 CB HIS A 52 114.636 -13.144 -6.963 1.00 0.00 C ATOM 817 CG HIS A 52 115.332 -13.494 -5.670 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.161 -13.048 -4.379 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.368 -14.413 -5.615 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.074 -13.680 -3.539 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.776 -14.491 -4.333 1.00 0.00 N flip ATOM 0 H HIS A 52 113.623 -11.278 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 52 116.134 -11.632 -7.378 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.555 -13.196 -6.834 1.00 0.00 H new ATOM 0 HB3 HIS A 52 114.899 -13.864 -7.738 1.00 0.00 H new ATOM 0 HD1 HIS A 52 114.470 -12.359 -4.083 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.775 -14.966 -6.449 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.189 -13.543 -2.474 1.00 0.00 H new ATOM 829 N ASN A 53 113.370 -11.032 -9.009 1.00 0.00 N ATOM 830 CA ASN A 53 112.891 -10.657 -10.375 1.00 0.00 C ATOM 831 C ASN A 53 113.663 -9.432 -10.863 1.00 0.00 C ATOM 832 O ASN A 53 114.017 -9.326 -12.019 1.00 0.00 O ATOM 833 CB ASN A 53 111.406 -10.336 -10.220 1.00 0.00 C ATOM 834 CG ASN A 53 110.603 -11.638 -10.260 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.146 -12.692 -10.524 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.323 -11.607 -10.012 1.00 0.00 N ATOM 0 H ASN A 53 112.665 -10.980 -8.274 1.00 0.00 H new ATOM 0 HA ASN A 53 113.045 -11.454 -11.103 1.00 0.00 H new ATOM 0 HB2 ASN A 53 111.231 -9.815 -9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.081 -9.669 -11.019 1.00 0.00 H new ATOM 0 HD21 ASN A 53 108.777 -12.468 -10.040 1.00 0.00 H new ATOM 0 HD22 ASN A 53 108.868 -10.722 -9.790 1.00 0.00 H new ATOM 843 N LEU A 54 113.949 -8.514 -9.981 1.00 0.00 N ATOM 844 CA LEU A 54 114.733 -7.315 -10.392 1.00 0.00 C ATOM 845 C LEU A 54 116.240 -7.648 -10.395 1.00 0.00 C ATOM 846 O LEU A 54 117.066 -6.792 -10.641 1.00 0.00 O ATOM 847 CB LEU A 54 114.415 -6.245 -9.344 1.00 0.00 C ATOM 848 CG LEU A 54 112.932 -5.877 -9.413 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.599 -4.909 -8.276 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.635 -5.206 -10.757 1.00 0.00 C ATOM 0 H LEU A 54 113.676 -8.541 -8.999 1.00 0.00 H new ATOM 0 HA LEU A 54 114.479 -6.978 -11.397 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.662 -6.613 -8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 54 115.027 -5.360 -9.517 1.00 0.00 H new ATOM 0 HG LEU A 54 112.326 -6.778 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.543 -4.644 -8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.813 -5.385 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.204 -4.008 -8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.578 -4.943 -10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.238 -4.303 -10.854 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.877 -5.893 -11.568 1.00 0.00 H new ATOM 862 N LYS A 55 116.601 -8.888 -10.133 1.00 0.00 N ATOM 863 CA LYS A 55 118.034 -9.284 -10.133 1.00 0.00 C ATOM 864 C LYS A 55 118.858 -8.405 -9.191 1.00 0.00 C ATOM 865 O LYS A 55 120.000 -8.116 -9.462 1.00 0.00 O ATOM 866 CB LYS A 55 118.502 -9.112 -11.580 1.00 0.00 C ATOM 867 CG LYS A 55 119.391 -10.298 -11.972 1.00 0.00 C ATOM 868 CD LYS A 55 119.744 -10.211 -13.461 1.00 0.00 C ATOM 869 CE LYS A 55 120.648 -11.385 -13.846 1.00 0.00 C ATOM 870 NZ LYS A 55 120.981 -11.161 -15.281 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.950 -9.643 -9.918 1.00 0.00 H new ATOM 0 HA LYS A 55 118.162 -10.307 -9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 55 117.642 -9.052 -12.247 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.054 -8.178 -11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 55 120.301 -10.296 -11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 55 118.875 -11.235 -11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 55 118.835 -10.227 -14.062 1.00 0.00 H new ATOM 0 HD3 LYS A 55 120.248 -9.267 -13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 55 121.548 -11.408 -13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 55 120.139 -12.338 -13.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 121.599 -11.927 -15.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 120.106 -11.150 -15.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 121.471 -10.249 -15.386 1.00 0.00 H new ATOM 884 N MET A 56 118.301 -7.980 -8.084 1.00 0.00 N ATOM 885 CA MET A 56 119.100 -7.129 -7.146 1.00 0.00 C ATOM 886 C MET A 56 120.247 -7.945 -6.537 1.00 0.00 C ATOM 887 O MET A 56 121.149 -7.393 -5.936 1.00 0.00 O ATOM 888 CB MET A 56 118.133 -6.657 -6.065 1.00 0.00 C ATOM 889 CG MET A 56 117.230 -5.566 -6.637 1.00 0.00 C ATOM 890 SD MET A 56 116.022 -5.064 -5.386 1.00 0.00 S ATOM 891 CE MET A 56 117.179 -4.246 -4.257 1.00 0.00 C ATOM 0 H MET A 56 117.345 -8.180 -7.792 1.00 0.00 H new ATOM 0 HA MET A 56 119.550 -6.280 -7.661 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.531 -7.493 -5.709 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.687 -6.274 -5.208 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.828 -4.708 -6.945 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.717 -5.933 -7.526 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.621 -3.704 -3.494 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.813 -4.994 -3.781 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.801 -3.547 -4.817 1.00 0.00 H new ATOM 901 N ASP A 57 120.246 -9.241 -6.705 1.00 0.00 N ATOM 902 CA ASP A 57 121.367 -10.051 -6.158 1.00 0.00 C ATOM 903 C ASP A 57 122.609 -9.914 -7.068 1.00 0.00 C ATOM 904 O ASP A 57 123.649 -10.469 -6.784 1.00 0.00 O ATOM 905 CB ASP A 57 120.853 -11.493 -6.143 1.00 0.00 C ATOM 906 CG ASP A 57 120.437 -11.919 -7.557 1.00 0.00 C ATOM 907 OD1 ASP A 57 120.398 -11.069 -8.433 1.00 0.00 O ATOM 908 OD2 ASP A 57 120.169 -13.096 -7.742 1.00 0.00 O1- ATOM 0 H ASP A 57 119.522 -9.768 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 57 121.668 -9.726 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 57 121.629 -12.160 -5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 57 120.004 -11.578 -5.465 1.00 0.00 H new ATOM 913 N ASN A 58 122.505 -9.163 -8.141 1.00 0.00 N ATOM 914 CA ASN A 58 123.664 -8.967 -9.056 1.00 0.00 C ATOM 915 C ASN A 58 124.646 -7.940 -8.475 1.00 0.00 C ATOM 916 O ASN A 58 124.868 -6.891 -9.044 1.00 0.00 O ATOM 917 CB ASN A 58 123.033 -8.436 -10.348 1.00 0.00 C ATOM 918 CG ASN A 58 122.375 -7.076 -10.087 1.00 0.00 C ATOM 919 OD1 ASN A 58 122.328 -6.616 -8.964 1.00 0.00 O ATOM 920 ND2 ASN A 58 121.852 -6.413 -11.083 1.00 0.00 N ATOM 0 H ASN A 58 121.654 -8.674 -8.420 1.00 0.00 H new ATOM 0 HA ASN A 58 124.234 -9.883 -9.211 1.00 0.00 H new ATOM 0 HB2 ASN A 58 123.795 -8.339 -11.122 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.291 -9.144 -10.718 1.00 0.00 H new ATOM 0 HD21 ASN A 58 121.405 -5.511 -10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 58 121.890 -6.797 -12.027 1.00 0.00 H new ATOM 927 N THR A 59 125.255 -8.248 -7.362 1.00 0.00 N ATOM 928 CA THR A 59 126.250 -7.308 -6.765 1.00 0.00 C ATOM 929 C THR A 59 127.484 -8.103 -6.325 1.00 0.00 C ATOM 930 O THR A 59 127.403 -9.272 -6.001 1.00 0.00 O ATOM 931 CB THR A 59 125.545 -6.656 -5.575 1.00 0.00 C ATOM 932 OG1 THR A 59 125.028 -7.664 -4.723 1.00 0.00 O ATOM 933 CG2 THR A 59 124.405 -5.769 -6.078 1.00 0.00 C ATOM 0 H THR A 59 125.107 -9.111 -6.839 1.00 0.00 H new ATOM 0 HA THR A 59 126.590 -6.547 -7.467 1.00 0.00 H new ATOM 0 HB THR A 59 126.257 -6.045 -5.020 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.577 -7.247 -3.959 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.903 -5.305 -5.229 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.808 -4.994 -6.730 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.690 -6.376 -6.634 1.00 0.00 H new ATOM 941 N LYS A 60 128.633 -7.483 -6.345 1.00 0.00 N ATOM 942 CA LYS A 60 129.888 -8.201 -5.972 1.00 0.00 C ATOM 943 C LYS A 60 129.871 -8.710 -4.527 1.00 0.00 C ATOM 944 O LYS A 60 130.265 -9.827 -4.258 1.00 0.00 O ATOM 945 CB LYS A 60 131.009 -7.179 -6.149 1.00 0.00 C ATOM 946 CG LYS A 60 132.356 -7.857 -5.888 1.00 0.00 C ATOM 947 CD LYS A 60 133.484 -6.844 -6.085 1.00 0.00 C ATOM 948 CE LYS A 60 134.833 -7.526 -5.850 1.00 0.00 C ATOM 949 NZ LYS A 60 135.844 -6.467 -6.119 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.758 -6.505 -6.605 1.00 0.00 H new ATOM 0 HA LYS A 60 130.015 -9.085 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.985 -6.767 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 60 130.869 -6.345 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 60 132.384 -8.256 -4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 60 132.488 -8.700 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 60 133.444 -6.432 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.362 -6.010 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 60 134.915 -7.901 -4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 60 134.967 -8.379 -6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 136.799 -6.855 -5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 135.745 -6.134 -7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 135.695 -5.671 -5.466 1.00 0.00 H new ATOM 963 N LEU A 61 129.438 -7.908 -3.593 1.00 0.00 N ATOM 964 CA LEU A 61 129.428 -8.374 -2.173 1.00 0.00 C ATOM 965 C LEU A 61 128.050 -8.898 -1.758 1.00 0.00 C ATOM 966 O LEU A 61 127.857 -9.286 -0.624 1.00 0.00 O ATOM 967 CB LEU A 61 129.802 -7.154 -1.338 1.00 0.00 C ATOM 968 CG LEU A 61 131.236 -6.730 -1.645 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.510 -5.383 -0.979 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.207 -7.778 -1.097 1.00 0.00 C ATOM 0 H LEU A 61 129.094 -6.960 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 61 130.124 -9.201 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 61 129.118 -6.333 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.701 -7.384 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 61 131.372 -6.643 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.533 -5.073 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.816 -4.638 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.377 -5.476 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.231 -7.475 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.077 -7.865 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 61 132.005 -8.741 -1.566 1.00 0.00 H new ATOM 982 N GLN A 62 127.093 -8.910 -2.656 1.00 0.00 N ATOM 983 CA GLN A 62 125.731 -9.418 -2.312 1.00 0.00 C ATOM 984 C GLN A 62 125.145 -8.649 -1.132 1.00 0.00 C ATOM 985 O GLN A 62 124.476 -9.187 -0.277 1.00 0.00 O ATOM 986 CB GLN A 62 125.918 -10.900 -1.963 1.00 0.00 C ATOM 987 CG GLN A 62 126.310 -11.668 -3.225 1.00 0.00 C ATOM 988 CD GLN A 62 126.591 -13.126 -2.863 1.00 0.00 C ATOM 989 OE1 GLN A 62 127.519 -13.415 -2.133 1.00 0.00 O ATOM 990 NE2 GLN A 62 125.824 -14.064 -3.346 1.00 0.00 N ATOM 0 H GLN A 62 127.200 -8.587 -3.618 1.00 0.00 H new ATOM 0 HA GLN A 62 125.034 -9.287 -3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.689 -11.012 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.997 -11.307 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.509 -11.612 -3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.193 -11.218 -3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 62 125.045 -13.821 -3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 62 126.003 -15.040 -3.111 1.00 0.00 H new ATOM 999 N ASN A 63 125.397 -7.371 -1.115 1.00 0.00 N ATOM 1000 CA ASN A 63 124.882 -6.477 -0.041 1.00 0.00 C ATOM 1001 C ASN A 63 123.850 -5.498 -0.606 1.00 0.00 C ATOM 1002 O ASN A 63 123.957 -4.299 -0.444 1.00 0.00 O ATOM 1003 CB ASN A 63 126.105 -5.719 0.472 1.00 0.00 C ATOM 1004 CG ASN A 63 126.995 -6.672 1.270 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.542 -7.698 1.735 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.254 -6.377 1.444 1.00 0.00 N ATOM 0 H ASN A 63 125.956 -6.895 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 63 124.387 -7.039 0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.663 -5.298 -0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.792 -4.884 1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.858 -7.008 1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.635 -5.515 1.053 1.00 0.00 H new ATOM 1013 N GLY A 64 122.832 -6.011 -1.240 1.00 0.00 N ATOM 1014 CA GLY A 64 121.766 -5.126 -1.790 1.00 0.00 C ATOM 1015 C GLY A 64 120.554 -5.167 -0.848 1.00 0.00 C ATOM 1016 O GLY A 64 120.212 -6.205 -0.314 1.00 0.00 O ATOM 0 H GLY A 64 122.692 -7.008 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.135 -4.105 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.479 -5.456 -2.788 1.00 0.00 H new ATOM 1020 N VAL A 65 119.905 -4.054 -0.638 1.00 0.00 N ATOM 1021 CA VAL A 65 118.716 -4.048 0.273 1.00 0.00 C ATOM 1022 C VAL A 65 117.489 -3.490 -0.462 1.00 0.00 C ATOM 1023 O VAL A 65 117.559 -2.492 -1.147 1.00 0.00 O ATOM 1024 CB VAL A 65 119.113 -3.144 1.458 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.889 -2.816 2.335 1.00 0.00 C ATOM 1026 CG2 VAL A 65 120.153 -3.865 2.318 1.00 0.00 C ATOM 0 H VAL A 65 120.141 -3.153 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 65 118.449 -5.049 0.611 1.00 0.00 H new ATOM 0 HB VAL A 65 119.522 -2.216 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.196 -2.177 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 65 117.140 -2.298 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.464 -3.740 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.436 -3.229 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.731 -4.796 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 65 121.034 -4.084 1.715 1.00 0.00 H new ATOM 1036 N LEU A 66 116.370 -4.143 -0.322 1.00 0.00 N ATOM 1037 CA LEU A 66 115.136 -3.669 -1.006 1.00 0.00 C ATOM 1038 C LEU A 66 114.058 -3.301 0.018 1.00 0.00 C ATOM 1039 O LEU A 66 113.741 -4.070 0.904 1.00 0.00 O ATOM 1040 CB LEU A 66 114.691 -4.875 -1.827 1.00 0.00 C ATOM 1041 CG LEU A 66 113.460 -4.527 -2.665 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.821 -3.452 -3.693 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.975 -5.780 -3.396 1.00 0.00 C ATOM 0 H LEU A 66 116.257 -4.988 0.239 1.00 0.00 H new ATOM 0 HA LEU A 66 115.307 -2.778 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.503 -5.198 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.463 -5.710 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 66 112.673 -4.152 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.941 -3.207 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 66 114.170 -2.558 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.609 -3.824 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 66 112.097 -5.535 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.767 -6.151 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.715 -6.548 -2.668 1.00 0.00 H new ATOM 1055 N ILE A 67 113.490 -2.133 -0.103 1.00 0.00 N ATOM 1056 CA ILE A 67 112.427 -1.740 0.868 1.00 0.00 C ATOM 1057 C ILE A 67 111.056 -1.768 0.181 1.00 0.00 C ATOM 1058 O ILE A 67 110.757 -0.948 -0.662 1.00 0.00 O ATOM 1059 CB ILE A 67 112.798 -0.325 1.329 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.120 -0.358 2.099 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.709 0.244 2.242 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.579 1.078 2.361 1.00 0.00 C ATOM 0 H ILE A 67 113.710 -1.442 -0.820 1.00 0.00 H new ATOM 0 HA ILE A 67 112.363 -2.421 1.716 1.00 0.00 H new ATOM 0 HB ILE A 67 112.897 0.307 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 67 113.994 -0.891 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.876 -0.897 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 67 111.989 1.248 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.764 0.285 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.597 -0.396 3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.521 1.065 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.720 1.594 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.824 1.600 2.949 1.00 0.00 H new ATOM 1074 N TYR A 68 110.220 -2.706 0.539 1.00 0.00 N ATOM 1075 CA TYR A 68 108.867 -2.791 -0.091 1.00 0.00 C ATOM 1076 C TYR A 68 107.829 -2.103 0.789 1.00 0.00 C ATOM 1077 O TYR A 68 107.695 -2.401 1.958 1.00 0.00 O ATOM 1078 CB TYR A 68 108.564 -4.287 -0.159 1.00 0.00 C ATOM 1079 CG TYR A 68 107.206 -4.518 -0.789 1.00 0.00 C ATOM 1080 CD1 TYR A 68 106.046 -4.381 -0.013 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.107 -4.890 -2.135 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.792 -4.616 -0.582 1.00 0.00 C ATOM 1083 CE2 TYR A 68 105.848 -5.124 -2.705 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.688 -4.987 -1.925 1.00 0.00 C ATOM 1085 OH TYR A 68 103.443 -5.218 -2.475 1.00 0.00 O ATOM 0 H TYR A 68 110.415 -3.419 1.242 1.00 0.00 H new ATOM 0 HA TYR A 68 108.840 -2.309 -1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.334 -4.795 -0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.586 -4.716 0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.122 -4.094 1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.000 -4.997 -2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.900 -4.511 0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 68 105.770 -5.410 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 68 103.005 -5.952 -1.996 1.00 0.00 H new ATOM 1095 N VAL A 69 107.104 -1.175 0.242 1.00 0.00 N ATOM 1096 CA VAL A 69 106.086 -0.464 1.056 1.00 0.00 C ATOM 1097 C VAL A 69 104.702 -0.537 0.399 1.00 0.00 C ATOM 1098 O VAL A 69 104.525 -0.252 -0.769 1.00 0.00 O ATOM 1099 CB VAL A 69 106.597 0.983 1.146 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.517 1.899 1.746 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.835 1.015 2.047 1.00 0.00 C ATOM 0 H VAL A 69 107.171 -0.878 -0.731 1.00 0.00 H new ATOM 0 HA VAL A 69 105.962 -0.910 2.043 1.00 0.00 H new ATOM 0 HB VAL A 69 106.843 1.337 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.896 2.920 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.629 1.876 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.260 1.552 2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.207 2.037 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.571 0.655 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.610 0.376 1.624 1.00 0.00 H new ATOM 1111 N ALA A 70 103.721 -0.888 1.178 1.00 0.00 N ATOM 1112 CA ALA A 70 102.325 -0.953 0.674 1.00 0.00 C ATOM 1113 C ALA A 70 101.601 0.332 1.076 1.00 0.00 C ATOM 1114 O ALA A 70 101.316 0.552 2.237 1.00 0.00 O ATOM 1115 CB ALA A 70 101.704 -2.138 1.402 1.00 0.00 C ATOM 0 H ALA A 70 103.830 -1.137 2.161 1.00 0.00 H new ATOM 0 HA ALA A 70 102.266 -1.060 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.668 -2.257 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.262 -3.044 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.738 -1.963 2.477 1.00 0.00 H new ATOM 1121 N VAL A 71 101.316 1.189 0.142 1.00 0.00 N ATOM 1122 CA VAL A 71 100.622 2.463 0.504 1.00 0.00 C ATOM 1123 C VAL A 71 99.147 2.190 0.807 1.00 0.00 C ATOM 1124 O VAL A 71 98.490 2.972 1.468 1.00 0.00 O ATOM 1125 CB VAL A 71 100.781 3.390 -0.702 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.269 3.616 -0.963 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.141 2.753 -1.936 1.00 0.00 C ATOM 0 H VAL A 71 101.528 1.070 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 71 101.047 2.919 1.398 1.00 0.00 H new ATOM 0 HB VAL A 71 100.290 4.341 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.392 4.276 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.727 4.073 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 71 102.752 2.660 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.258 3.419 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.628 1.801 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.080 2.585 -1.750 1.00 0.00 H new ATOM 1137 N GLU A 72 98.624 1.081 0.359 1.00 0.00 N ATOM 1138 CA GLU A 72 97.202 0.768 0.666 1.00 0.00 C ATOM 1139 C GLU A 72 97.062 0.458 2.159 1.00 0.00 C ATOM 1140 O GLU A 72 96.143 0.913 2.809 1.00 0.00 O ATOM 1141 CB GLU A 72 96.869 -0.456 -0.186 1.00 0.00 C ATOM 1142 CG GLU A 72 96.830 -0.043 -1.656 1.00 0.00 C ATOM 1143 CD GLU A 72 95.737 1.011 -1.856 1.00 0.00 C ATOM 1144 OE1 GLU A 72 94.850 1.085 -1.019 1.00 0.00 O1- ATOM 1145 OE2 GLU A 72 95.808 1.728 -2.840 1.00 0.00 O ATOM 0 H GLU A 72 99.116 0.385 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 72 96.528 1.596 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.616 -1.235 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.907 -0.873 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.797 0.357 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.633 -0.911 -2.285 1.00 0.00 H new ATOM 1152 N ASP A 73 97.964 -0.306 2.713 1.00 0.00 N ATOM 1153 CA ASP A 73 97.872 -0.625 4.166 1.00 0.00 C ATOM 1154 C ASP A 73 98.897 0.181 4.976 1.00 0.00 C ATOM 1155 O ASP A 73 99.033 -0.005 6.168 1.00 0.00 O ATOM 1156 CB ASP A 73 98.167 -2.121 4.265 1.00 0.00 C ATOM 1157 CG ASP A 73 97.026 -2.915 3.620 1.00 0.00 C ATOM 1158 OD1 ASP A 73 95.965 -2.343 3.420 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 97.232 -4.082 3.339 1.00 0.00 O ATOM 0 H ASP A 73 98.757 -0.721 2.225 1.00 0.00 H new ATOM 0 HA ASP A 73 96.893 -0.370 4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.109 -2.350 3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.280 -2.411 5.310 1.00 0.00 H new ATOM 1164 N LYS A 74 99.619 1.079 4.349 1.00 0.00 N ATOM 1165 CA LYS A 74 100.626 1.887 5.096 1.00 0.00 C ATOM 1166 C LYS A 74 101.625 0.973 5.818 1.00 0.00 C ATOM 1167 O LYS A 74 101.919 1.162 6.980 1.00 0.00 O ATOM 1168 CB LYS A 74 99.824 2.704 6.113 1.00 0.00 C ATOM 1169 CG LYS A 74 100.591 3.978 6.454 1.00 0.00 C ATOM 1170 CD LYS A 74 99.756 4.846 7.395 1.00 0.00 C ATOM 1171 CE LYS A 74 100.568 6.080 7.792 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.679 6.852 8.701 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.552 1.285 3.352 1.00 0.00 H new ATOM 0 HA LYS A 74 101.204 2.524 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.845 2.954 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.653 2.116 7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.542 3.727 6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.821 4.530 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.830 5.147 6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.478 4.278 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.495 5.798 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.844 6.668 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 100.168 7.714 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.808 7.113 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.438 6.270 9.528 1.00 0.00 H new ATOM 1186 N THR A 75 102.152 -0.011 5.138 1.00 0.00 N ATOM 1187 CA THR A 75 103.139 -0.927 5.789 1.00 0.00 C ATOM 1188 C THR A 75 104.452 -0.939 5.004 1.00 0.00 C ATOM 1189 O THR A 75 104.531 -0.457 3.891 1.00 0.00 O ATOM 1190 CB THR A 75 102.503 -2.318 5.760 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.036 -2.587 4.453 1.00 0.00 O ATOM 1192 CG2 THR A 75 101.336 -2.383 6.745 1.00 0.00 C ATOM 0 H THR A 75 101.943 -0.221 4.162 1.00 0.00 H new ATOM 0 HA THR A 75 103.367 -0.607 6.806 1.00 0.00 H new ATOM 0 HB THR A 75 103.247 -3.061 6.047 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.629 -3.478 4.428 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.891 -3.377 6.716 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.698 -2.177 7.752 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.586 -1.641 6.470 1.00 0.00 H new ATOM 1200 N PHE A 76 105.482 -1.493 5.583 1.00 0.00 N ATOM 1201 CA PHE A 76 106.802 -1.559 4.896 1.00 0.00 C ATOM 1202 C PHE A 76 107.548 -2.829 5.316 1.00 0.00 C ATOM 1203 O PHE A 76 107.529 -3.222 6.465 1.00 0.00 O ATOM 1204 CB PHE A 76 107.560 -0.324 5.388 1.00 0.00 C ATOM 1205 CG PHE A 76 107.689 -0.375 6.893 1.00 0.00 C ATOM 1206 CD1 PHE A 76 106.694 0.191 7.697 1.00 0.00 C ATOM 1207 CD2 PHE A 76 108.800 -0.990 7.481 1.00 0.00 C ATOM 1208 CE1 PHE A 76 106.809 0.143 9.091 1.00 0.00 C ATOM 1209 CE2 PHE A 76 108.916 -1.037 8.876 1.00 0.00 C ATOM 1210 CZ PHE A 76 107.921 -0.471 9.681 1.00 0.00 C ATOM 0 H PHE A 76 105.464 -1.908 6.515 1.00 0.00 H new ATOM 0 HA PHE A 76 106.703 -1.582 3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.548 -0.285 4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 76 107.033 0.582 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 76 105.837 0.665 7.242 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.567 -1.428 6.860 1.00 0.00 H new ATOM 0 HE1 PHE A 76 106.040 0.579 9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 76 109.774 -1.510 9.331 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.011 -0.508 10.757 1.00 0.00 H new ATOM 1220 N VAL A 77 108.220 -3.461 4.396 1.00 0.00 N ATOM 1221 CA VAL A 77 108.987 -4.690 4.738 1.00 0.00 C ATOM 1222 C VAL A 77 110.416 -4.526 4.224 1.00 0.00 C ATOM 1223 O VAL A 77 110.626 -4.038 3.129 1.00 0.00 O ATOM 1224 CB VAL A 77 108.275 -5.831 4.002 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.100 -7.122 4.112 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.897 -6.055 4.627 1.00 0.00 C ATOM 0 H VAL A 77 108.271 -3.178 3.417 1.00 0.00 H new ATOM 0 HA VAL A 77 109.032 -4.883 5.810 1.00 0.00 H new ATOM 0 HB VAL A 77 108.165 -5.565 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.587 -7.927 3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.082 -6.965 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.217 -7.391 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.388 -6.866 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.013 -6.316 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.307 -5.143 4.543 1.00 0.00 H new ATOM 1236 N ILE A 78 111.401 -4.924 4.982 1.00 0.00 N ATOM 1237 CA ILE A 78 112.797 -4.779 4.491 1.00 0.00 C ATOM 1238 C ILE A 78 113.431 -6.157 4.260 1.00 0.00 C ATOM 1239 O ILE A 78 113.476 -6.995 5.139 1.00 0.00 O ATOM 1240 CB ILE A 78 113.521 -4.012 5.597 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.826 -2.664 5.808 1.00 0.00 C ATOM 1242 CG2 ILE A 78 114.972 -3.768 5.179 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.347 -2.014 7.090 1.00 0.00 C ATOM 0 H ILE A 78 111.300 -5.338 5.909 1.00 0.00 H new ATOM 0 HA ILE A 78 112.852 -4.257 3.536 1.00 0.00 H new ATOM 0 HB ILE A 78 113.498 -4.590 6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 78 113.011 -2.010 4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.747 -2.806 5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.490 -3.221 5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.469 -4.724 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 78 114.992 -3.185 4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.851 -1.055 7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.139 -2.665 7.939 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.423 -1.858 7.008 1.00 0.00 H new ATOM 1255 N TYR A 79 113.919 -6.388 3.072 1.00 0.00 N ATOM 1256 CA TYR A 79 114.564 -7.697 2.754 1.00 0.00 C ATOM 1257 C TYR A 79 115.923 -7.456 2.095 1.00 0.00 C ATOM 1258 O TYR A 79 116.006 -6.933 1.002 1.00 0.00 O ATOM 1259 CB TYR A 79 113.616 -8.405 1.782 1.00 0.00 C ATOM 1260 CG TYR A 79 114.188 -9.761 1.425 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.312 -10.748 2.411 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.605 -10.029 0.113 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.848 -12.001 2.088 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.142 -11.283 -0.210 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.263 -12.268 0.777 1.00 0.00 C ATOM 1266 OH TYR A 79 115.792 -13.503 0.460 1.00 0.00 O ATOM 0 H TYR A 79 113.899 -5.721 2.300 1.00 0.00 H new ATOM 0 HA TYR A 79 114.734 -8.296 3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.631 -8.521 2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.484 -7.805 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 79 113.994 -10.542 3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.512 -9.269 -0.649 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.941 -12.761 2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.462 -11.489 -1.221 1.00 0.00 H new ATOM 0 HH TYR A 79 115.806 -13.613 -0.514 1.00 0.00 H new ATOM 1276 N GLY A 80 116.989 -7.824 2.753 1.00 0.00 N ATOM 1277 CA GLY A 80 118.336 -7.606 2.158 1.00 0.00 C ATOM 1278 C GLY A 80 118.855 -8.916 1.563 1.00 0.00 C ATOM 1279 O GLY A 80 118.280 -9.970 1.749 1.00 0.00 O ATOM 0 H GLY A 80 116.985 -8.264 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.283 -6.840 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.026 -7.243 2.919 1.00 0.00 H new ATOM 1283 N ASP A 81 119.938 -8.849 0.837 1.00 0.00 N ATOM 1284 CA ASP A 81 120.498 -10.082 0.212 1.00 0.00 C ATOM 1285 C ASP A 81 121.245 -10.916 1.261 1.00 0.00 C ATOM 1286 O ASP A 81 121.407 -10.506 2.394 1.00 0.00 O ATOM 1287 CB ASP A 81 121.464 -9.573 -0.860 1.00 0.00 C ATOM 1288 CG ASP A 81 121.952 -10.738 -1.723 1.00 0.00 C ATOM 1289 OD1 ASP A 81 121.272 -11.752 -1.746 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 122.997 -10.605 -2.341 1.00 0.00 O ATOM 0 H ASP A 81 120.460 -7.993 0.649 1.00 0.00 H new ATOM 0 HA ASP A 81 119.723 -10.724 -0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 81 120.968 -8.830 -1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.313 -9.078 -0.390 1.00 0.00 H new ATOM 1295 N LYS A 82 121.693 -12.084 0.892 1.00 0.00 N ATOM 1296 CA LYS A 82 122.429 -12.951 1.849 1.00 0.00 C ATOM 1297 C LYS A 82 123.672 -12.228 2.370 1.00 0.00 C ATOM 1298 O LYS A 82 124.141 -12.485 3.459 1.00 0.00 O ATOM 1299 CB LYS A 82 122.824 -14.179 1.030 1.00 0.00 C ATOM 1300 CG LYS A 82 121.574 -14.985 0.679 1.00 0.00 C ATOM 1301 CD LYS A 82 121.966 -16.167 -0.210 1.00 0.00 C ATOM 1302 CE LYS A 82 120.716 -16.972 -0.573 1.00 0.00 C ATOM 1303 NZ LYS A 82 121.202 -18.054 -1.473 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.578 -12.477 -0.042 1.00 0.00 H new ATOM 0 HA LYS A 82 121.830 -13.213 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.338 -13.871 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.521 -14.797 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 82 121.092 -15.344 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.852 -14.352 0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.455 -15.808 -1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.683 -16.803 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 82 120.239 -17.383 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 82 119.975 -16.347 -1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.401 -18.649 -1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.645 -17.633 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 121.901 -18.637 -0.969 1.00 0.00 H new ATOM 1317 N GLY A 83 124.217 -11.332 1.592 1.00 0.00 N ATOM 1318 CA GLY A 83 125.435 -10.608 2.043 1.00 0.00 C ATOM 1319 C GLY A 83 125.110 -9.749 3.262 1.00 0.00 C ATOM 1320 O GLY A 83 125.786 -9.826 4.271 1.00 0.00 O ATOM 0 H GLY A 83 123.872 -11.072 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.222 -11.321 2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 83 125.815 -9.981 1.237 1.00 0.00 H new ATOM 1324 N ILE A 84 124.074 -8.945 3.206 1.00 0.00 N ATOM 1325 CA ILE A 84 123.739 -8.112 4.397 1.00 0.00 C ATOM 1326 C ILE A 84 123.371 -9.042 5.553 1.00 0.00 C ATOM 1327 O ILE A 84 123.803 -8.866 6.673 1.00 0.00 O ATOM 1328 CB ILE A 84 122.526 -7.274 3.966 1.00 0.00 C ATOM 1329 CG1 ILE A 84 122.945 -6.256 2.901 1.00 0.00 C ATOM 1330 CG2 ILE A 84 121.933 -6.535 5.170 1.00 0.00 C ATOM 1331 CD1 ILE A 84 121.966 -6.335 1.727 1.00 0.00 C ATOM 0 H ILE A 84 123.458 -8.833 2.401 1.00 0.00 H new ATOM 0 HA ILE A 84 124.562 -7.478 4.727 1.00 0.00 H new ATOM 0 HB ILE A 84 121.772 -7.944 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 84 122.949 -5.250 3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 84 123.960 -6.463 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.074 -5.946 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 84 121.616 -7.259 5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 84 122.687 -5.874 5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.255 -5.614 0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.985 -7.339 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 84 120.959 -6.108 2.077 1.00 0.00 H new ATOM 1343 N ASN A 85 122.542 -10.008 5.288 1.00 0.00 N ATOM 1344 CA ASN A 85 122.085 -10.928 6.365 1.00 0.00 C ATOM 1345 C ASN A 85 123.243 -11.737 6.961 1.00 0.00 C ATOM 1346 O ASN A 85 123.238 -12.053 8.134 1.00 0.00 O ATOM 1347 CB ASN A 85 121.060 -11.845 5.688 1.00 0.00 C ATOM 1348 CG ASN A 85 120.586 -12.915 6.675 1.00 0.00 C ATOM 1349 OD1 ASN A 85 120.620 -12.714 7.872 1.00 0.00 O ATOM 1350 ND2 ASN A 85 120.141 -14.054 6.217 1.00 0.00 N ATOM 0 H ASN A 85 122.157 -10.203 4.364 1.00 0.00 H new ATOM 0 HA ASN A 85 121.659 -10.379 7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 85 120.210 -11.259 5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 85 121.504 -12.317 4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 85 119.822 -14.775 6.865 1.00 0.00 H new ATOM 0 HD22 ASN A 85 120.112 -14.223 5.212 1.00 0.00 H new ATOM 1357 N ASP A 86 124.226 -12.091 6.179 1.00 0.00 N ATOM 1358 CA ASP A 86 125.358 -12.892 6.731 1.00 0.00 C ATOM 1359 C ASP A 86 126.332 -12.042 7.556 1.00 0.00 C ATOM 1360 O ASP A 86 127.060 -12.561 8.381 1.00 0.00 O ATOM 1361 CB ASP A 86 126.079 -13.444 5.499 1.00 0.00 C ATOM 1362 CG ASP A 86 125.247 -14.562 4.870 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.378 -15.084 5.550 1.00 0.00 O ATOM 1364 OD2 ASP A 86 125.493 -14.879 3.718 1.00 0.00 O1- ATOM 0 H ASP A 86 124.295 -11.862 5.187 1.00 0.00 H new ATOM 0 HA ASP A 86 124.990 -13.665 7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.241 -12.647 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 86 127.061 -13.823 5.781 1.00 0.00 H new ATOM 1369 N VAL A 87 126.381 -10.753 7.337 1.00 0.00 N ATOM 1370 CA VAL A 87 127.345 -9.918 8.116 1.00 0.00 C ATOM 1371 C VAL A 87 126.650 -9.115 9.220 1.00 0.00 C ATOM 1372 O VAL A 87 127.294 -8.632 10.129 1.00 0.00 O ATOM 1373 CB VAL A 87 127.965 -8.977 7.084 1.00 0.00 C ATOM 1374 CG1 VAL A 87 128.626 -9.805 5.981 1.00 0.00 C ATOM 1375 CG2 VAL A 87 126.872 -8.094 6.475 1.00 0.00 C ATOM 0 H VAL A 87 125.805 -10.248 6.663 1.00 0.00 H new ATOM 0 HA VAL A 87 128.084 -10.538 8.624 1.00 0.00 H new ATOM 0 HB VAL A 87 128.712 -8.346 7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 87 129.070 -9.138 5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 87 129.403 -10.435 6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 87 127.877 -10.433 5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 87 127.315 -7.423 5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 87 126.125 -8.722 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 87 126.398 -7.507 7.262 1.00 0.00 H new ATOM 1385 N VAL A 88 125.356 -8.948 9.150 1.00 0.00 N ATOM 1386 CA VAL A 88 124.669 -8.146 10.210 1.00 0.00 C ATOM 1387 C VAL A 88 123.609 -8.977 10.950 1.00 0.00 C ATOM 1388 O VAL A 88 123.148 -9.993 10.468 1.00 0.00 O ATOM 1389 CB VAL A 88 124.035 -6.940 9.489 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.061 -6.271 8.562 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.823 -7.384 8.659 1.00 0.00 C ATOM 0 H VAL A 88 124.752 -9.324 8.419 1.00 0.00 H new ATOM 0 HA VAL A 88 125.375 -7.822 10.974 1.00 0.00 H new ATOM 0 HB VAL A 88 123.711 -6.227 10.247 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.598 -5.421 8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 88 125.912 -5.926 9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.402 -6.990 7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.389 -6.519 8.158 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.140 -8.114 7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.078 -7.835 9.315 1.00 0.00 H new ATOM 1401 N SER A 89 123.241 -8.555 12.125 1.00 0.00 N ATOM 1402 CA SER A 89 122.234 -9.317 12.920 1.00 0.00 C ATOM 1403 C SER A 89 120.860 -8.638 12.912 1.00 0.00 C ATOM 1404 O SER A 89 120.674 -7.568 12.359 1.00 0.00 O ATOM 1405 CB SER A 89 122.802 -9.344 14.340 1.00 0.00 C ATOM 1406 OG SER A 89 122.399 -8.169 15.037 1.00 0.00 O ATOM 0 H SER A 89 123.595 -7.710 12.574 1.00 0.00 H new ATOM 0 HA SER A 89 122.075 -10.312 12.505 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.450 -10.231 14.867 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.890 -9.404 14.307 1.00 0.00 H new ATOM 0 HG SER A 89 122.887 -8.108 15.885 1.00 0.00 H new ATOM 1412 N ASP A 90 119.897 -9.262 13.537 1.00 0.00 N ATOM 1413 CA ASP A 90 118.532 -8.672 13.599 1.00 0.00 C ATOM 1414 C ASP A 90 118.584 -7.364 14.387 1.00 0.00 C ATOM 1415 O ASP A 90 117.950 -6.388 14.036 1.00 0.00 O ATOM 1416 CB ASP A 90 117.691 -9.720 14.326 1.00 0.00 C ATOM 1417 CG ASP A 90 117.187 -10.772 13.328 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.438 -10.617 12.140 1.00 0.00 O1- ATOM 1419 OD2 ASP A 90 116.575 -11.727 13.771 1.00 0.00 O ATOM 0 H ASP A 90 120.000 -10.160 14.009 1.00 0.00 H new ATOM 0 HA ASP A 90 118.118 -8.438 12.618 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.285 -10.200 15.104 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.846 -9.241 14.820 1.00 0.00 H new ATOM 1424 N ASP A 91 119.366 -7.326 15.435 1.00 0.00 N ATOM 1425 CA ASP A 91 119.486 -6.070 16.223 1.00 0.00 C ATOM 1426 C ASP A 91 120.035 -4.977 15.308 1.00 0.00 C ATOM 1427 O ASP A 91 119.593 -3.846 15.341 1.00 0.00 O ATOM 1428 CB ASP A 91 120.465 -6.390 17.355 1.00 0.00 C ATOM 1429 CG ASP A 91 119.720 -7.031 18.534 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.502 -7.091 18.489 1.00 0.00 O1- ATOM 1431 OD2 ASP A 91 120.386 -7.447 19.469 1.00 0.00 O ATOM 0 H ASP A 91 119.924 -8.109 15.776 1.00 0.00 H new ATOM 0 HA ASP A 91 118.535 -5.720 16.626 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.241 -7.066 16.995 1.00 0.00 H new ATOM 0 HB3 ASP A 91 120.964 -5.478 17.683 1.00 0.00 H new ATOM 1436 N PHE A 92 120.957 -5.319 14.446 1.00 0.00 N ATOM 1437 CA PHE A 92 121.478 -4.305 13.486 1.00 0.00 C ATOM 1438 C PHE A 92 120.338 -3.873 12.555 1.00 0.00 C ATOM 1439 O PHE A 92 120.334 -2.782 12.023 1.00 0.00 O ATOM 1440 CB PHE A 92 122.598 -4.986 12.689 1.00 0.00 C ATOM 1441 CG PHE A 92 123.083 -4.044 11.609 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.060 -3.089 11.900 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.530 -4.111 10.321 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.492 -2.205 10.906 1.00 0.00 C ATOM 1445 CE2 PHE A 92 122.966 -3.230 9.325 1.00 0.00 C ATOM 1446 CZ PHE A 92 123.947 -2.278 9.618 1.00 0.00 C ATOM 0 H PHE A 92 121.368 -6.249 14.366 1.00 0.00 H new ATOM 0 HA PHE A 92 121.859 -3.419 13.993 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.421 -5.254 13.351 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.233 -5.912 12.244 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.482 -3.033 12.893 1.00 0.00 H new ATOM 0 HD2 PHE A 92 121.768 -4.843 10.098 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.246 -1.466 11.132 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.545 -3.285 8.332 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.285 -1.598 8.850 1.00 0.00 H new ATOM 1456 N TRP A 93 119.376 -4.735 12.364 1.00 0.00 N ATOM 1457 CA TRP A 93 118.232 -4.410 11.475 1.00 0.00 C ATOM 1458 C TRP A 93 117.152 -3.648 12.257 1.00 0.00 C ATOM 1459 O TRP A 93 116.354 -2.915 11.704 1.00 0.00 O ATOM 1460 CB TRP A 93 117.710 -5.780 11.031 1.00 0.00 C ATOM 1461 CG TRP A 93 118.296 -6.135 9.700 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.586 -6.471 9.486 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.637 -6.197 8.403 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.765 -6.727 8.136 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.594 -6.571 7.426 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.319 -5.966 7.981 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.253 -6.705 6.078 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 115.972 -6.101 6.629 1.00 0.00 C ATOM 1469 CH2 TRP A 93 116.935 -6.468 5.678 1.00 0.00 C ATOM 0 H TRP A 93 119.337 -5.660 12.792 1.00 0.00 H new ATOM 0 HA TRP A 93 118.513 -3.776 10.634 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.974 -6.537 11.769 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.622 -5.762 10.967 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.353 -6.531 10.244 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.655 -6.998 7.718 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.567 -5.682 8.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.001 -6.989 5.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 114.954 -5.921 6.317 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.659 -6.567 4.639 1.00 0.00 H new ATOM 1480 N ASP A 94 117.095 -3.861 13.541 1.00 0.00 N ATOM 1481 CA ASP A 94 116.036 -3.213 14.365 1.00 0.00 C ATOM 1482 C ASP A 94 116.049 -1.689 14.243 1.00 0.00 C ATOM 1483 O ASP A 94 114.998 -1.078 14.182 1.00 0.00 O ATOM 1484 CB ASP A 94 116.335 -3.637 15.805 1.00 0.00 C ATOM 1485 CG ASP A 94 115.278 -3.059 16.756 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.458 -2.273 16.307 1.00 0.00 O ATOM 1487 OD2 ASP A 94 115.306 -3.417 17.923 1.00 0.00 O1- ATOM 0 H ASP A 94 117.739 -4.459 14.059 1.00 0.00 H new ATOM 0 HA ASP A 94 115.045 -3.522 14.031 1.00 0.00 H new ATOM 0 HB2 ASP A 94 116.345 -4.725 15.877 1.00 0.00 H new ATOM 0 HB3 ASP A 94 117.326 -3.289 16.096 1.00 0.00 H new ATOM 1492 N THR A 95 117.196 -1.051 14.227 1.00 0.00 N ATOM 1493 CA THR A 95 117.185 0.439 14.138 1.00 0.00 C ATOM 1494 C THR A 95 116.554 0.862 12.808 1.00 0.00 C ATOM 1495 O THR A 95 115.920 1.892 12.692 1.00 0.00 O ATOM 1496 CB THR A 95 118.650 0.863 14.236 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.403 0.200 13.229 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.189 0.484 15.615 1.00 0.00 C ATOM 0 H THR A 95 118.117 -1.487 14.271 1.00 0.00 H new ATOM 0 HA THR A 95 116.598 0.910 14.927 1.00 0.00 H new ATOM 0 HB THR A 95 118.733 1.941 14.095 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.342 0.473 13.290 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.234 0.784 15.692 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.608 0.992 16.385 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.110 -0.594 15.753 1.00 0.00 H new ATOM 1506 N THR A 96 116.735 0.044 11.807 1.00 0.00 N ATOM 1507 CA THR A 96 116.171 0.331 10.450 1.00 0.00 C ATOM 1508 C THR A 96 114.648 0.457 10.501 1.00 0.00 C ATOM 1509 O THR A 96 114.049 1.380 9.971 1.00 0.00 O ATOM 1510 CB THR A 96 116.504 -0.933 9.655 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.861 -1.300 9.911 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.299 -0.665 8.160 1.00 0.00 C ATOM 0 H THR A 96 117.260 -0.828 11.871 1.00 0.00 H new ATOM 0 HA THR A 96 116.569 1.257 10.034 1.00 0.00 H new ATOM 0 HB THR A 96 115.848 -1.749 9.958 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.131 -2.009 9.291 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.536 -1.565 7.593 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.261 -0.385 7.979 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.954 0.147 7.843 1.00 0.00 H new ATOM 1520 N ARG A 97 114.028 -0.497 11.140 1.00 0.00 N ATOM 1521 CA ARG A 97 112.542 -0.518 11.256 1.00 0.00 C ATOM 1522 C ARG A 97 112.021 0.586 12.174 1.00 0.00 C ATOM 1523 O ARG A 97 110.974 1.155 11.928 1.00 0.00 O ATOM 1524 CB ARG A 97 112.221 -1.891 11.844 1.00 0.00 C ATOM 1525 CG ARG A 97 112.521 -2.960 10.794 1.00 0.00 C ATOM 1526 CD ARG A 97 112.226 -4.350 11.362 1.00 0.00 C ATOM 1527 NE ARG A 97 112.591 -5.285 10.256 1.00 0.00 N ATOM 1528 CZ ARG A 97 111.737 -5.562 9.294 1.00 0.00 C ATOM 1529 NH1 ARG A 97 110.617 -4.889 9.165 1.00 0.00 N ATOM 1530 NH2 ARG A 97 112.011 -6.515 8.445 1.00 0.00 N1+ ATOM 0 H ARG A 97 114.499 -1.279 11.596 1.00 0.00 H new ATOM 0 HA ARG A 97 112.068 -0.346 10.290 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.816 -2.066 12.741 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.174 -1.938 12.142 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.917 -2.786 9.904 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.565 -2.898 10.488 1.00 0.00 H new ATOM 0 HD2 ARG A 97 112.813 -4.546 12.259 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.177 -4.452 11.639 1.00 0.00 H new ATOM 0 HE ARG A 97 113.516 -5.715 10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 97 110.396 -4.136 9.817 1.00 0.00 H new ATOM 0 HH12 ARG A 97 109.968 -5.119 8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 97 112.882 -7.039 8.530 1.00 0.00 H new ATOM 0 HH22 ARG A 97 111.354 -6.736 7.697 1.00 0.00 H new ATOM 1544 N ASN A 98 112.718 0.886 13.236 1.00 0.00 N ATOM 1545 CA ASN A 98 112.217 1.943 14.159 1.00 0.00 C ATOM 1546 C ASN A 98 112.160 3.301 13.454 1.00 0.00 C ATOM 1547 O ASN A 98 111.188 4.021 13.572 1.00 0.00 O ATOM 1548 CB ASN A 98 113.207 1.967 15.321 1.00 0.00 C ATOM 1549 CG ASN A 98 112.890 0.838 16.302 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.805 0.295 16.293 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.802 0.462 17.157 1.00 0.00 N ATOM 0 H ASN A 98 113.601 0.451 13.502 1.00 0.00 H new ATOM 0 HA ASN A 98 111.203 1.736 14.500 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.224 1.858 14.945 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.157 2.928 15.832 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.603 -0.289 17.818 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.714 0.919 17.164 1.00 0.00 H new ATOM 1558 N ALA A 99 113.174 3.665 12.719 1.00 0.00 N ATOM 1559 CA ALA A 99 113.143 4.980 12.013 1.00 0.00 C ATOM 1560 C ALA A 99 112.005 5.025 10.996 1.00 0.00 C ATOM 1561 O ALA A 99 111.228 5.960 10.959 1.00 0.00 O ATOM 1562 CB ALA A 99 114.484 5.065 11.288 1.00 0.00 C ATOM 0 H ALA A 99 114.020 3.113 12.576 1.00 0.00 H new ATOM 0 HA ALA A 99 112.983 5.806 12.706 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.543 6.006 10.741 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.295 5.016 12.015 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.573 4.233 10.589 1.00 0.00 H new ATOM 1568 N ILE A 100 111.892 4.021 10.173 1.00 0.00 N ATOM 1569 CA ILE A 100 110.799 4.013 9.167 1.00 0.00 C ATOM 1570 C ILE A 100 109.446 3.911 9.865 1.00 0.00 C ATOM 1571 O ILE A 100 108.510 4.584 9.500 1.00 0.00 O ATOM 1572 CB ILE A 100 111.078 2.794 8.284 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.364 3.054 7.493 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.915 2.573 7.311 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.818 1.774 6.790 1.00 0.00 C ATOM 0 H ILE A 100 112.508 3.208 10.155 1.00 0.00 H new ATOM 0 HA ILE A 100 110.766 4.926 8.573 1.00 0.00 H new ATOM 0 HB ILE A 100 111.188 1.905 8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.195 3.841 6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.147 3.407 8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.123 1.704 6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 100 108.997 2.405 7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.797 3.453 6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.733 1.971 6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.006 0.998 7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.039 1.439 6.105 1.00 0.00 H new ATOM 1587 N GLN A 101 109.343 3.080 10.862 1.00 0.00 N ATOM 1588 CA GLN A 101 108.046 2.919 11.592 1.00 0.00 C ATOM 1589 C GLN A 101 107.623 4.220 12.293 1.00 0.00 C ATOM 1590 O GLN A 101 106.468 4.596 12.269 1.00 0.00 O ATOM 1591 CB GLN A 101 108.335 1.818 12.615 1.00 0.00 C ATOM 1592 CG GLN A 101 107.121 1.604 13.522 1.00 0.00 C ATOM 1593 CD GLN A 101 105.972 1.002 12.713 1.00 0.00 C ATOM 1594 OE1 GLN A 101 106.186 0.147 11.875 1.00 0.00 O ATOM 1595 NE2 GLN A 101 104.752 1.409 12.932 1.00 0.00 N ATOM 0 H GLN A 101 110.106 2.498 11.209 1.00 0.00 H new ATOM 0 HA GLN A 101 107.224 2.672 10.921 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.581 0.889 12.100 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.203 2.089 13.216 1.00 0.00 H new ATOM 0 HG2 GLN A 101 107.384 0.942 14.347 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.811 2.552 13.961 1.00 0.00 H new ATOM 0 HE21 GLN A 101 104.572 2.126 13.635 1.00 0.00 H new ATOM 0 HE22 GLN A 101 103.978 1.010 12.401 1.00 0.00 H new ATOM 1604 N LEU A 102 108.531 4.898 12.938 1.00 0.00 N ATOM 1605 CA LEU A 102 108.151 6.154 13.655 1.00 0.00 C ATOM 1606 C LEU A 102 107.658 7.241 12.698 1.00 0.00 C ATOM 1607 O LEU A 102 106.674 7.914 12.962 1.00 0.00 O ATOM 1608 CB LEU A 102 109.431 6.616 14.342 1.00 0.00 C ATOM 1609 CG LEU A 102 109.756 5.666 15.490 1.00 0.00 C ATOM 1610 CD1 LEU A 102 111.164 5.962 16.007 1.00 0.00 C ATOM 1611 CD2 LEU A 102 108.738 5.871 16.615 1.00 0.00 C ATOM 0 H LEU A 102 109.516 4.641 13.001 1.00 0.00 H new ATOM 0 HA LEU A 102 107.332 5.970 14.350 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.254 6.637 13.628 1.00 0.00 H new ATOM 0 HB3 LEU A 102 109.310 7.632 14.718 1.00 0.00 H new ATOM 0 HG LEU A 102 109.709 4.634 15.142 1.00 0.00 H new ATOM 0 HD11 LEU A 102 111.400 5.285 16.828 1.00 0.00 H new ATOM 0 HD12 LEU A 102 111.885 5.821 15.201 1.00 0.00 H new ATOM 0 HD13 LEU A 102 111.213 6.992 16.361 1.00 0.00 H new ATOM 0 HD21 LEU A 102 108.965 5.194 17.439 1.00 0.00 H new ATOM 0 HD22 LEU A 102 108.788 6.901 16.967 1.00 0.00 H new ATOM 0 HD23 LEU A 102 107.736 5.663 16.241 1.00 0.00 H new ATOM 1623 N GLN A 103 108.324 7.419 11.587 1.00 0.00 N ATOM 1624 CA GLN A 103 107.866 8.473 10.641 1.00 0.00 C ATOM 1625 C GLN A 103 106.579 8.003 9.970 1.00 0.00 C ATOM 1626 O GLN A 103 105.628 8.747 9.829 1.00 0.00 O ATOM 1627 CB GLN A 103 108.991 8.664 9.636 1.00 0.00 C ATOM 1628 CG GLN A 103 109.016 10.121 9.182 1.00 0.00 C ATOM 1629 CD GLN A 103 109.280 11.027 10.377 1.00 0.00 C ATOM 1630 OE1 GLN A 103 108.505 12.052 10.585 1.00 0.00 O flip ATOM 1631 NE2 GLN A 103 110.212 10.805 11.121 1.00 0.00 N flip ATOM 0 H GLN A 103 109.148 6.891 11.299 1.00 0.00 H new ATOM 0 HA GLN A 103 107.649 9.420 11.136 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.946 8.394 10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.845 8.006 8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 103 109.790 10.264 8.428 1.00 0.00 H new ATOM 0 HG3 GLN A 103 108.066 10.383 8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.817 10.001 10.955 1.00 0.00 H new ATOM 0 HE22 GLN A 103 110.391 11.422 11.913 1.00 0.00 H new ATOM 1640 N PHE A 104 106.535 6.758 9.583 1.00 0.00 N ATOM 1641 CA PHE A 104 105.298 6.224 8.950 1.00 0.00 C ATOM 1642 C PHE A 104 104.137 6.393 9.922 1.00 0.00 C ATOM 1643 O PHE A 104 103.032 6.723 9.544 1.00 0.00 O ATOM 1644 CB PHE A 104 105.566 4.738 8.705 1.00 0.00 C ATOM 1645 CG PHE A 104 105.943 4.524 7.256 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.229 4.846 6.802 1.00 0.00 C ATOM 1647 CD2 PHE A 104 104.997 4.003 6.364 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.564 4.647 5.456 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.332 3.805 5.019 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.616 4.127 4.566 1.00 0.00 C ATOM 0 H PHE A 104 107.300 6.090 9.678 1.00 0.00 H new ATOM 0 HA PHE A 104 105.047 6.739 8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.369 4.391 9.355 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.680 4.153 8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.960 5.247 7.488 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.006 3.753 6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.555 4.895 5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.601 3.405 4.333 1.00 0.00 H new ATOM 0 HZ PHE A 104 106.876 3.974 3.529 1.00 0.00 H new ATOM 1660 N LYS A 105 104.389 6.162 11.183 1.00 0.00 N ATOM 1661 CA LYS A 105 103.316 6.301 12.200 1.00 0.00 C ATOM 1662 C LYS A 105 102.812 7.743 12.230 1.00 0.00 C ATOM 1663 O LYS A 105 101.650 7.997 12.476 1.00 0.00 O ATOM 1664 CB LYS A 105 103.987 5.933 13.521 1.00 0.00 C ATOM 1665 CG LYS A 105 102.948 5.905 14.640 1.00 0.00 C ATOM 1666 CD LYS A 105 103.634 5.481 15.936 1.00 0.00 C ATOM 1667 CE LYS A 105 102.605 5.421 17.065 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.382 5.011 18.267 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.298 5.882 11.550 1.00 0.00 H new ATOM 0 HA LYS A 105 102.453 5.669 11.992 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.469 4.959 13.436 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.768 6.656 13.756 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.493 6.889 14.758 1.00 0.00 H new ATOM 0 HG3 LYS A 105 102.145 5.210 14.393 1.00 0.00 H new ATOM 0 HD2 LYS A 105 104.105 4.507 15.808 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.425 6.187 16.188 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.126 6.388 17.215 1.00 0.00 H new ATOM 0 HE3 LYS A 105 101.814 4.705 16.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 102.745 4.947 19.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 103.821 4.084 18.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.123 5.715 18.458 1.00 0.00 H new ATOM 1682 N GLN A 106 103.669 8.694 11.962 1.00 0.00 N ATOM 1683 CA GLN A 106 103.223 10.117 11.957 1.00 0.00 C ATOM 1684 C GLN A 106 102.539 10.453 10.629 1.00 0.00 C ATOM 1685 O GLN A 106 101.802 11.414 10.532 1.00 0.00 O ATOM 1686 CB GLN A 106 104.514 10.916 12.109 1.00 0.00 C ATOM 1687 CG GLN A 106 105.084 10.678 13.504 1.00 0.00 C ATOM 1688 CD GLN A 106 106.428 11.389 13.637 1.00 0.00 C ATOM 1689 OE1 GLN A 106 106.835 12.117 12.754 1.00 0.00 O ATOM 1690 NE2 GLN A 106 107.143 11.198 14.709 1.00 0.00 N ATOM 0 H GLN A 106 104.655 8.546 11.747 1.00 0.00 H new ATOM 0 HA GLN A 106 102.503 10.335 12.745 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.236 10.613 11.351 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.320 11.978 11.958 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.390 11.047 14.259 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.208 9.609 13.680 1.00 0.00 H new ATOM 0 HE21 GLN A 106 106.799 10.586 15.449 1.00 0.00 H new ATOM 0 HE22 GLN A 106 108.047 11.660 14.808 1.00 0.00 H new ATOM 1699 N GLY A 107 102.764 9.671 9.609 1.00 0.00 N ATOM 1700 CA GLY A 107 102.110 9.958 8.299 1.00 0.00 C ATOM 1701 C GLY A 107 103.121 10.526 7.290 1.00 0.00 C ATOM 1702 O GLY A 107 102.754 10.919 6.201 1.00 0.00 O ATOM 0 H GLY A 107 103.369 8.850 9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.668 9.044 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.296 10.669 8.443 1.00 0.00 H new ATOM 1706 N ASN A 108 104.383 10.575 7.630 1.00 0.00 N ATOM 1707 CA ASN A 108 105.387 11.116 6.670 1.00 0.00 C ATOM 1708 C ASN A 108 106.219 9.975 6.073 1.00 0.00 C ATOM 1709 O ASN A 108 107.252 9.595 6.591 1.00 0.00 O ATOM 1710 CB ASN A 108 106.263 12.062 7.491 1.00 0.00 C ATOM 1711 CG ASN A 108 105.475 13.334 7.810 1.00 0.00 C ATOM 1712 OD1 ASN A 108 104.440 13.585 7.227 1.00 0.00 O ATOM 1713 ND2 ASN A 108 105.932 14.162 8.712 1.00 0.00 N ATOM 0 H ASN A 108 104.759 10.265 8.526 1.00 0.00 H new ATOM 0 HA ASN A 108 104.919 11.633 5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.578 11.575 8.414 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.168 12.311 6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 108 105.419 15.018 8.925 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.801 13.953 9.203 1.00 0.00 H new ATOM 1720 N PHE A 109 105.759 9.431 4.977 1.00 0.00 N ATOM 1721 CA PHE A 109 106.485 8.312 4.308 1.00 0.00 C ATOM 1722 C PHE A 109 107.868 8.753 3.806 1.00 0.00 C ATOM 1723 O PHE A 109 108.829 8.014 3.901 1.00 0.00 O ATOM 1724 CB PHE A 109 105.605 7.938 3.108 1.00 0.00 C ATOM 1725 CG PHE A 109 104.231 7.462 3.553 1.00 0.00 C ATOM 1726 CD1 PHE A 109 104.055 6.779 4.770 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.126 7.702 2.727 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.781 6.344 5.151 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.853 7.266 3.111 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.680 6.587 4.321 1.00 0.00 C ATOM 0 H PHE A 109 104.899 9.719 4.511 1.00 0.00 H new ATOM 0 HA PHE A 109 106.652 7.484 4.997 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.497 8.801 2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.093 7.155 2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.904 6.590 5.411 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.257 8.225 1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.647 5.820 6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.003 7.454 2.472 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.697 6.250 4.615 1.00 0.00 H new ATOM 1740 N LYS A 110 107.977 9.927 3.239 1.00 0.00 N ATOM 1741 CA LYS A 110 109.305 10.363 2.703 1.00 0.00 C ATOM 1742 C LYS A 110 110.352 10.474 3.809 1.00 0.00 C ATOM 1743 O LYS A 110 111.465 10.004 3.663 1.00 0.00 O ATOM 1744 CB LYS A 110 109.068 11.739 2.067 1.00 0.00 C ATOM 1745 CG LYS A 110 110.396 12.294 1.530 1.00 0.00 C ATOM 1746 CD LYS A 110 110.182 13.693 0.954 1.00 0.00 C ATOM 1747 CE LYS A 110 111.519 14.237 0.427 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.315 15.706 0.215 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.216 10.596 3.124 1.00 0.00 H new ATOM 0 HA LYS A 110 109.687 9.635 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.343 11.657 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.647 12.424 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.135 12.330 2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.792 11.631 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.448 13.659 0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.783 14.357 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.323 14.054 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.801 13.744 -0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.775 15.996 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.297 15.911 0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.731 16.233 1.009 1.00 0.00 H new ATOM 1762 N GLN A 111 110.030 11.118 4.894 1.00 0.00 N ATOM 1763 CA GLN A 111 111.045 11.282 5.970 1.00 0.00 C ATOM 1764 C GLN A 111 111.430 9.926 6.558 1.00 0.00 C ATOM 1765 O GLN A 111 112.575 9.696 6.896 1.00 0.00 O ATOM 1766 CB GLN A 111 110.391 12.171 7.024 1.00 0.00 C ATOM 1767 CG GLN A 111 110.160 13.564 6.455 1.00 0.00 C ATOM 1768 CD GLN A 111 109.425 14.413 7.493 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.124 13.947 8.576 1.00 0.00 O ATOM 1770 NE2 GLN A 111 109.127 15.648 7.211 1.00 0.00 N ATOM 0 H GLN A 111 109.118 11.534 5.082 1.00 0.00 H new ATOM 0 HA GLN A 111 111.965 11.727 5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.443 11.737 7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 111 111.026 12.230 7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.112 14.027 6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.575 13.503 5.537 1.00 0.00 H new ATOM 0 HE21 GLN A 111 109.379 16.039 6.303 1.00 0.00 H new ATOM 0 HE22 GLN A 111 108.641 16.225 7.898 1.00 0.00 H new ATOM 1779 N GLY A 112 110.494 9.027 6.705 1.00 0.00 N ATOM 1780 CA GLY A 112 110.835 7.705 7.293 1.00 0.00 C ATOM 1781 C GLY A 112 111.741 6.940 6.335 1.00 0.00 C ATOM 1782 O GLY A 112 112.741 6.374 6.727 1.00 0.00 O ATOM 0 H GLY A 112 109.516 9.152 6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.334 7.840 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.926 7.135 7.484 1.00 0.00 H new ATOM 1786 N LEU A 113 111.393 6.918 5.078 1.00 0.00 N ATOM 1787 CA LEU A 113 112.224 6.187 4.083 1.00 0.00 C ATOM 1788 C LEU A 113 113.604 6.838 3.956 1.00 0.00 C ATOM 1789 O LEU A 113 114.616 6.165 3.892 1.00 0.00 O ATOM 1790 CB LEU A 113 111.452 6.306 2.768 1.00 0.00 C ATOM 1791 CG LEU A 113 110.152 5.506 2.867 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.279 5.785 1.642 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.472 4.011 2.936 1.00 0.00 C ATOM 0 H LEU A 113 110.566 7.377 4.697 1.00 0.00 H new ATOM 0 HA LEU A 113 112.393 5.149 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.233 7.352 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.059 5.934 1.942 1.00 0.00 H new ATOM 0 HG LEU A 113 109.616 5.804 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.354 5.213 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.045 6.849 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 113 109.815 5.492 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.544 3.443 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.013 3.713 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.087 3.811 3.813 1.00 0.00 H new ATOM 1805 N VAL A 114 113.650 8.141 3.906 1.00 0.00 N ATOM 1806 CA VAL A 114 114.961 8.833 3.772 1.00 0.00 C ATOM 1807 C VAL A 114 115.799 8.614 5.032 1.00 0.00 C ATOM 1808 O VAL A 114 116.965 8.277 4.965 1.00 0.00 O ATOM 1809 CB VAL A 114 114.602 10.307 3.602 1.00 0.00 C ATOM 1810 CG1 VAL A 114 115.879 11.145 3.550 1.00 0.00 C ATOM 1811 CG2 VAL A 114 113.805 10.494 2.309 1.00 0.00 C ATOM 0 H VAL A 114 112.837 8.755 3.952 1.00 0.00 H new ATOM 0 HA VAL A 114 115.553 8.461 2.936 1.00 0.00 H new ATOM 0 HB VAL A 114 113.996 10.632 4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.619 12.197 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.438 11.014 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.491 10.823 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.549 11.547 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.406 10.167 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 114 112.891 9.902 2.356 1.00 0.00 H new ATOM 1821 N ASP A 115 115.213 8.797 6.182 1.00 0.00 N ATOM 1822 CA ASP A 115 115.982 8.589 7.439 1.00 0.00 C ATOM 1823 C ASP A 115 116.416 7.128 7.525 1.00 0.00 C ATOM 1824 O ASP A 115 117.523 6.823 7.924 1.00 0.00 O ATOM 1825 CB ASP A 115 115.016 8.944 8.570 1.00 0.00 C ATOM 1826 CG ASP A 115 115.774 9.002 9.897 1.00 0.00 C ATOM 1827 OD1 ASP A 115 116.988 9.116 9.862 1.00 0.00 O1- ATOM 1828 OD2 ASP A 115 115.126 8.930 10.929 1.00 0.00 O ATOM 0 H ASP A 115 114.241 9.080 6.305 1.00 0.00 H new ATOM 0 HA ASP A 115 116.884 9.199 7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.542 9.905 8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 115 114.220 8.202 8.627 1.00 0.00 H new ATOM 1833 N GLY A 116 115.557 6.220 7.153 1.00 0.00 N ATOM 1834 CA GLY A 116 115.928 4.780 7.215 1.00 0.00 C ATOM 1835 C GLY A 116 117.162 4.535 6.349 1.00 0.00 C ATOM 1836 O GLY A 116 118.072 3.834 6.738 1.00 0.00 O ATOM 0 H GLY A 116 114.616 6.413 6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.130 4.490 8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.098 4.164 6.867 1.00 0.00 H new ATOM 1840 N ILE A 117 117.198 5.104 5.175 1.00 0.00 N ATOM 1841 CA ILE A 117 118.375 4.896 4.287 1.00 0.00 C ATOM 1842 C ILE A 117 119.636 5.482 4.938 1.00 0.00 C ATOM 1843 O ILE A 117 120.689 4.876 4.920 1.00 0.00 O ATOM 1844 CB ILE A 117 118.022 5.628 2.988 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.850 4.901 2.315 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.236 5.614 2.049 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.231 5.790 1.233 1.00 0.00 C ATOM 0 H ILE A 117 116.465 5.702 4.794 1.00 0.00 H new ATOM 0 HA ILE A 117 118.585 3.842 4.105 1.00 0.00 H new ATOM 0 HB ILE A 117 117.745 6.660 3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.197 3.966 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.097 4.643 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 117 118.987 6.134 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.075 6.114 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.509 4.583 1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.400 5.265 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.867 6.713 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 117 116.984 6.026 0.481 1.00 0.00 H new ATOM 1859 N GLU A 118 119.543 6.655 5.509 1.00 0.00 N ATOM 1860 CA GLU A 118 120.748 7.263 6.148 1.00 0.00 C ATOM 1861 C GLU A 118 121.261 6.371 7.281 1.00 0.00 C ATOM 1862 O GLU A 118 122.438 6.079 7.362 1.00 0.00 O ATOM 1863 CB GLU A 118 120.282 8.610 6.701 1.00 0.00 C ATOM 1864 CG GLU A 118 119.884 9.526 5.542 1.00 0.00 C ATOM 1865 CD GLU A 118 121.103 9.812 4.657 1.00 0.00 C ATOM 1866 OE1 GLU A 118 122.205 9.461 5.055 1.00 0.00 O ATOM 1867 OE2 GLU A 118 120.914 10.374 3.591 1.00 0.00 O1- ATOM 0 H GLU A 118 118.692 7.215 5.561 1.00 0.00 H new ATOM 0 HA GLU A 118 121.567 7.378 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.436 8.466 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 118 121.078 9.070 7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 118 119.097 9.057 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 118 119.478 10.461 5.929 1.00 0.00 H new ATOM 1874 N LYS A 119 120.396 5.929 8.155 1.00 0.00 N ATOM 1875 CA LYS A 119 120.863 5.052 9.268 1.00 0.00 C ATOM 1876 C LYS A 119 121.420 3.750 8.692 1.00 0.00 C ATOM 1877 O LYS A 119 122.470 3.285 9.087 1.00 0.00 O ATOM 1878 CB LYS A 119 119.629 4.780 10.132 1.00 0.00 C ATOM 1879 CG LYS A 119 119.190 6.065 10.842 1.00 0.00 C ATOM 1880 CD LYS A 119 117.951 5.769 11.692 1.00 0.00 C ATOM 1881 CE LYS A 119 117.468 7.051 12.377 1.00 0.00 C ATOM 1882 NZ LYS A 119 118.525 7.380 13.374 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.397 6.134 8.147 1.00 0.00 H new ATOM 0 HA LYS A 119 121.656 5.516 9.855 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.817 4.403 9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.853 4.007 10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 119 119.997 6.441 11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 119 118.967 6.842 10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.158 5.361 11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.186 5.013 12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 119 117.340 7.859 11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 119 116.503 6.900 12.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 118.117 7.961 14.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 118.907 6.501 13.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 119.290 7.908 12.907 1.00 0.00 H new ATOM 1896 N ALA A 120 120.744 3.177 7.736 1.00 0.00 N ATOM 1897 CA ALA A 120 121.256 1.928 7.110 1.00 0.00 C ATOM 1898 C ALA A 120 122.647 2.185 6.528 1.00 0.00 C ATOM 1899 O ALA A 120 123.540 1.372 6.635 1.00 0.00 O ATOM 1900 CB ALA A 120 120.265 1.603 5.988 1.00 0.00 C ATOM 0 H ALA A 120 119.859 3.520 7.362 1.00 0.00 H new ATOM 0 HA ALA A 120 121.340 1.108 7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.578 0.691 5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.271 1.460 6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.240 2.427 5.274 1.00 0.00 H new ATOM 1906 N GLY A 121 122.832 3.316 5.904 1.00 0.00 N ATOM 1907 CA GLY A 121 124.155 3.633 5.298 1.00 0.00 C ATOM 1908 C GLY A 121 125.229 3.769 6.381 1.00 0.00 C ATOM 1909 O GLY A 121 126.316 3.241 6.251 1.00 0.00 O ATOM 0 H GLY A 121 122.120 4.037 5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.437 2.848 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.087 4.560 4.728 1.00 0.00 H new ATOM 1913 N MET A 122 124.947 4.472 7.447 1.00 0.00 N ATOM 1914 CA MET A 122 125.977 4.621 8.519 1.00 0.00 C ATOM 1915 C MET A 122 126.246 3.267 9.175 1.00 0.00 C ATOM 1916 O MET A 122 127.379 2.863 9.377 1.00 0.00 O ATOM 1917 CB MET A 122 125.361 5.581 9.542 1.00 0.00 C ATOM 1918 CG MET A 122 125.118 6.946 8.896 1.00 0.00 C ATOM 1919 SD MET A 122 124.356 8.060 10.106 1.00 0.00 S ATOM 1920 CE MET A 122 125.811 8.300 11.158 1.00 0.00 C ATOM 0 H MET A 122 124.060 4.944 7.621 1.00 0.00 H new ATOM 0 HA MET A 122 126.924 4.992 8.127 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.422 5.174 9.916 1.00 0.00 H new ATOM 0 HB3 MET A 122 126.026 5.688 10.399 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.060 7.366 8.542 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.470 6.838 8.026 1.00 0.00 H new ATOM 0 HE1 MET A 122 125.788 9.302 11.587 1.00 0.00 H new ATOM 0 HE2 MET A 122 125.806 7.561 11.960 1.00 0.00 H new ATOM 0 HE3 MET A 122 126.715 8.181 10.561 1.00 0.00 H new ATOM 1930 N ALA A 123 125.201 2.561 9.502 1.00 0.00 N ATOM 1931 CA ALA A 123 125.372 1.235 10.144 1.00 0.00 C ATOM 1932 C ALA A 123 126.115 0.296 9.197 1.00 0.00 C ATOM 1933 O ALA A 123 127.062 -0.360 9.578 1.00 0.00 O ATOM 1934 CB ALA A 123 123.949 0.749 10.409 1.00 0.00 C ATOM 0 H ALA A 123 124.234 2.848 9.351 1.00 0.00 H new ATOM 0 HA ALA A 123 125.957 1.276 11.063 1.00 0.00 H new ATOM 0 HB1 ALA A 123 123.982 -0.231 10.885 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.440 1.455 11.065 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.408 0.676 9.466 1.00 0.00 H new ATOM 1940 N LEU A 124 125.715 0.248 7.961 1.00 0.00 N ATOM 1941 CA LEU A 124 126.422 -0.626 6.987 1.00 0.00 C ATOM 1942 C LEU A 124 127.861 -0.137 6.815 1.00 0.00 C ATOM 1943 O LEU A 124 128.774 -0.925 6.683 1.00 0.00 O ATOM 1944 CB LEU A 124 125.627 -0.501 5.693 1.00 0.00 C ATOM 1945 CG LEU A 124 124.259 -1.155 5.890 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.363 -0.817 4.701 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.423 -2.673 5.996 1.00 0.00 C ATOM 0 H LEU A 124 124.929 0.776 7.582 1.00 0.00 H new ATOM 0 HA LEU A 124 126.481 -1.666 7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.508 0.548 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.161 -0.983 4.874 1.00 0.00 H new ATOM 0 HG LEU A 124 123.805 -0.780 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.386 -1.282 4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.244 0.264 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.818 -1.192 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.446 -3.136 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.877 -3.055 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 124 125.063 -2.911 6.846 1.00 0.00 H new ATOM 1959 N ALA A 125 128.080 1.155 6.797 1.00 0.00 N ATOM 1960 CA ALA A 125 129.471 1.664 6.615 1.00 0.00 C ATOM 1961 C ALA A 125 130.404 1.039 7.653 1.00 0.00 C ATOM 1962 O ALA A 125 131.549 0.750 7.371 1.00 0.00 O ATOM 1963 CB ALA A 125 129.386 3.178 6.810 1.00 0.00 C ATOM 0 H ALA A 125 127.362 1.872 6.900 1.00 0.00 H new ATOM 0 HA ALA A 125 129.870 1.410 5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.377 3.617 6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.709 3.603 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 125 129.012 3.396 7.811 1.00 0.00 H new ATOM 1969 N LYS A 126 129.921 0.804 8.846 1.00 0.00 N ATOM 1970 CA LYS A 126 130.789 0.171 9.880 1.00 0.00 C ATOM 1971 C LYS A 126 131.229 -1.209 9.386 1.00 0.00 C ATOM 1972 O LYS A 126 132.379 -1.587 9.488 1.00 0.00 O ATOM 1973 CB LYS A 126 129.896 0.033 11.114 1.00 0.00 C ATOM 1974 CG LYS A 126 130.713 -0.512 12.289 1.00 0.00 C ATOM 1975 CD LYS A 126 129.812 -0.642 13.520 1.00 0.00 C ATOM 1976 CE LYS A 126 130.629 -1.171 14.704 1.00 0.00 C ATOM 1977 NZ LYS A 126 129.671 -1.227 15.847 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.971 1.021 9.146 1.00 0.00 H new ATOM 0 HA LYS A 126 131.687 0.751 10.094 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.469 1.001 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 126 129.063 -0.635 10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 126 131.137 -1.482 12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 126 131.548 0.154 12.505 1.00 0.00 H new ATOM 0 HD2 LYS A 126 129.378 0.326 13.769 1.00 0.00 H new ATOM 0 HD3 LYS A 126 128.983 -1.317 13.307 1.00 0.00 H new ATOM 0 HE2 LYS A 126 131.042 -2.156 14.488 1.00 0.00 H new ATOM 0 HE3 LYS A 126 131.470 -0.514 14.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 130.161 -1.581 16.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 129.299 -0.274 16.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 128.885 -1.865 15.610 1.00 0.00 H new ATOM 1991 N TYR A 127 130.309 -1.953 8.832 1.00 0.00 N ATOM 1992 CA TYR A 127 130.651 -3.303 8.302 1.00 0.00 C ATOM 1993 C TYR A 127 131.472 -3.159 7.015 1.00 0.00 C ATOM 1994 O TYR A 127 132.410 -3.896 6.776 1.00 0.00 O ATOM 1995 CB TYR A 127 129.311 -3.991 8.013 1.00 0.00 C ATOM 1996 CG TYR A 127 128.626 -4.366 9.312 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.903 -3.404 10.028 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.710 -5.677 9.797 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.265 -3.750 11.226 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.071 -6.025 10.997 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.347 -5.063 11.712 1.00 0.00 C ATOM 2002 OH TYR A 127 126.720 -5.414 12.897 1.00 0.00 O ATOM 0 H TYR A 127 129.332 -1.682 8.724 1.00 0.00 H new ATOM 0 HA TYR A 127 131.247 -3.882 9.008 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.670 -3.327 7.434 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.475 -4.883 7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.837 -2.392 9.655 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.267 -6.421 9.247 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.709 -3.005 11.776 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.138 -7.036 11.370 1.00 0.00 H new ATOM 0 HH TYR A 127 126.880 -6.363 13.083 1.00 0.00 H new ATOM 2012 N PHE A 128 131.115 -2.215 6.182 1.00 0.00 N ATOM 2013 CA PHE A 128 131.859 -2.017 4.910 1.00 0.00 C ATOM 2014 C PHE A 128 132.215 -0.535 4.720 1.00 0.00 C ATOM 2015 O PHE A 128 131.405 0.239 4.245 1.00 0.00 O ATOM 2016 CB PHE A 128 130.907 -2.501 3.822 1.00 0.00 C ATOM 2017 CG PHE A 128 131.008 -4.002 3.736 1.00 0.00 C ATOM 2018 CD1 PHE A 128 130.189 -4.808 4.537 1.00 0.00 C ATOM 2019 CD2 PHE A 128 131.934 -4.589 2.867 1.00 0.00 C ATOM 2020 CE1 PHE A 128 130.295 -6.202 4.464 1.00 0.00 C ATOM 2021 CE2 PHE A 128 132.043 -5.981 2.795 1.00 0.00 C ATOM 2022 CZ PHE A 128 131.223 -6.788 3.593 1.00 0.00 C ATOM 0 H PHE A 128 130.337 -1.573 6.332 1.00 0.00 H new ATOM 0 HA PHE A 128 132.803 -2.561 4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.884 -2.202 4.052 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.164 -2.048 2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 128 129.477 -4.355 5.210 1.00 0.00 H new ATOM 0 HD2 PHE A 128 132.566 -3.966 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 128 129.662 -6.825 5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 128 132.759 -6.433 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 128 131.306 -7.863 3.537 1.00 0.00 H new ATOM 2032 N PRO A 129 133.427 -0.185 5.097 1.00 0.00 N ATOM 2033 CA PRO A 129 133.896 1.219 4.963 1.00 0.00 C ATOM 2034 C PRO A 129 134.010 1.612 3.495 1.00 0.00 C ATOM 2035 O PRO A 129 134.266 0.795 2.634 1.00 0.00 O ATOM 2036 CB PRO A 129 135.270 1.207 5.633 1.00 0.00 C ATOM 2037 CG PRO A 129 135.719 -0.211 5.539 1.00 0.00 C ATOM 2038 CD PRO A 129 134.480 -1.045 5.669 1.00 0.00 C ATOM 0 HA PRO A 129 133.214 1.939 5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.964 1.878 5.127 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.209 1.536 6.670 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.219 -0.400 4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.433 -0.447 6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.570 -1.985 5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.272 -1.297 6.709 1.00 0.00 H new ATOM 2046 N TRP A 130 133.820 2.868 3.209 1.00 0.00 N ATOM 2047 CA TRP A 130 133.916 3.338 1.805 1.00 0.00 C ATOM 2048 C TRP A 130 135.369 3.365 1.354 1.00 0.00 C ATOM 2049 O TRP A 130 136.285 3.356 2.153 1.00 0.00 O ATOM 2050 CB TRP A 130 133.372 4.764 1.819 1.00 0.00 C ATOM 2051 CG TRP A 130 133.256 5.248 0.411 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.372 4.772 -0.496 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.029 6.279 -0.273 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.548 5.446 -1.690 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.558 6.383 -1.604 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.081 7.125 0.125 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.110 7.296 -2.507 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.639 8.044 -0.782 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.154 8.128 -2.095 1.00 0.00 C ATOM 0 H TRP A 130 133.601 3.592 3.893 1.00 0.00 H new ATOM 0 HA TRP A 130 133.367 2.685 1.127 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.399 4.792 2.309 1.00 0.00 H new ATOM 0 HB3 TRP A 130 134.035 5.415 2.389 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.647 3.992 -0.316 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.999 5.272 -2.532 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.462 7.068 1.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.732 7.358 -3.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.446 8.689 -0.465 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.587 8.835 -2.787 1.00 0.00 H new ATOM 2070 N LYS A 131 135.578 3.445 0.078 1.00 0.00 N ATOM 2071 CA LYS A 131 136.960 3.530 -0.445 1.00 0.00 C ATOM 2072 C LYS A 131 136.960 4.427 -1.682 1.00 0.00 C ATOM 2073 O LYS A 131 135.948 4.597 -2.332 1.00 0.00 O ATOM 2074 CB LYS A 131 137.391 2.095 -0.763 1.00 0.00 C ATOM 2075 CG LYS A 131 136.529 1.516 -1.886 1.00 0.00 C ATOM 2076 CD LYS A 131 136.962 0.071 -2.159 1.00 0.00 C ATOM 2077 CE LYS A 131 136.124 -0.512 -3.299 1.00 0.00 C ATOM 2078 NZ LYS A 131 136.644 -1.896 -3.490 1.00 0.00 N1+ ATOM 0 H LYS A 131 134.845 3.455 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 131 137.660 3.967 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 131 138.440 2.080 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 131 137.301 1.475 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 131 135.476 1.546 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.635 2.117 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 131 138.020 0.041 -2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 131 136.839 -0.532 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 131 135.064 -0.520 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.230 0.079 -4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 136.118 -2.362 -4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 137.654 -1.857 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 136.524 -2.437 -2.610 1.00 0.00 H new ATOM 2092 N LYS A 132 138.061 5.052 -1.976 1.00 0.00 N ATOM 2093 CA LYS A 132 138.090 5.992 -3.132 1.00 0.00 C ATOM 2094 C LYS A 132 137.757 5.283 -4.448 1.00 0.00 C ATOM 2095 O LYS A 132 137.186 5.878 -5.342 1.00 0.00 O ATOM 2096 CB LYS A 132 139.508 6.564 -3.163 1.00 0.00 C ATOM 2097 CG LYS A 132 139.589 7.645 -4.243 1.00 0.00 C ATOM 2098 CD LYS A 132 140.989 8.263 -4.261 1.00 0.00 C ATOM 2099 CE LYS A 132 141.048 9.352 -5.337 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.436 9.885 -5.271 1.00 0.00 N1+ ATOM 0 H LYS A 132 138.941 4.955 -1.470 1.00 0.00 H new ATOM 0 HA LYS A 132 137.340 6.774 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 132 139.765 6.984 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 132 140.228 5.772 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.360 7.215 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 132 138.844 8.417 -4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 132 141.224 8.687 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.736 7.495 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.829 8.944 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 132 140.315 10.136 -5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 142.553 10.637 -5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 142.614 10.273 -4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.112 9.118 -5.464 1.00 0.00 H new ATOM 2114 N ASP A 133 138.087 4.026 -4.577 1.00 0.00 N ATOM 2115 CA ASP A 133 137.754 3.318 -5.851 1.00 0.00 C ATOM 2116 C ASP A 133 136.371 2.651 -5.772 1.00 0.00 C ATOM 2117 O ASP A 133 135.993 1.903 -6.652 1.00 0.00 O ATOM 2118 CB ASP A 133 138.857 2.281 -6.069 1.00 0.00 C ATOM 2119 CG ASP A 133 140.182 2.983 -6.391 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.167 4.189 -6.593 1.00 0.00 O ATOM 2121 OD2 ASP A 133 141.190 2.300 -6.434 1.00 0.00 O1- ATOM 0 H ASP A 133 138.564 3.465 -3.871 1.00 0.00 H new ATOM 0 HA ASP A 133 137.705 4.018 -6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.970 1.665 -5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.583 1.612 -6.885 1.00 0.00 H new ATOM 2126 N ASP A 134 135.617 2.918 -4.715 1.00 0.00 N ATOM 2127 CA ASP A 134 134.258 2.315 -4.547 1.00 0.00 C ATOM 2128 C ASP A 134 133.478 2.313 -5.862 1.00 0.00 C ATOM 2129 O ASP A 134 133.512 3.259 -6.625 1.00 0.00 O ATOM 2130 CB ASP A 134 133.557 3.242 -3.556 1.00 0.00 C ATOM 2131 CG ASP A 134 132.155 2.706 -3.251 1.00 0.00 C ATOM 2132 OD1 ASP A 134 132.061 1.625 -2.695 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.198 3.391 -3.578 1.00 0.00 O ATOM 0 H ASP A 134 135.899 3.539 -3.956 1.00 0.00 H new ATOM 0 HA ASP A 134 134.321 1.279 -4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.138 3.313 -2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.490 4.248 -3.969 1.00 0.00 H new ATOM 2138 N ILE A 135 132.797 1.247 -6.133 1.00 0.00 N ATOM 2139 CA ILE A 135 132.018 1.151 -7.407 1.00 0.00 C ATOM 2140 C ILE A 135 130.512 1.113 -7.121 1.00 0.00 C ATOM 2141 O ILE A 135 130.071 0.622 -6.101 1.00 0.00 O ATOM 2142 CB ILE A 135 132.479 -0.154 -8.113 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.726 -1.324 -7.120 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.778 0.121 -8.875 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.471 -1.616 -6.293 1.00 0.00 C ATOM 0 H ILE A 135 132.740 0.427 -5.529 1.00 0.00 H new ATOM 0 HA ILE A 135 132.197 2.020 -8.040 1.00 0.00 H new ATOM 0 HB ILE A 135 131.676 -0.455 -8.786 1.00 0.00 H new ATOM 0 HG12 ILE A 135 133.019 -2.218 -7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 135 133.553 -1.074 -6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.108 -0.791 -9.373 1.00 0.00 H new ATOM 0 HG22 ILE A 135 133.606 0.899 -9.619 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.547 0.451 -8.176 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.671 -2.439 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.195 -0.728 -5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 135 130.652 -1.890 -6.958 1.00 0.00 H new ATOM 2157 N ASP A 136 129.713 1.657 -7.998 1.00 0.00 N ATOM 2158 CA ASP A 136 128.244 1.642 -7.751 1.00 0.00 C ATOM 2159 C ASP A 136 127.596 0.548 -8.607 1.00 0.00 C ATOM 2160 O ASP A 136 127.255 0.755 -9.754 1.00 0.00 O ATOM 2161 CB ASP A 136 127.744 3.026 -8.162 1.00 0.00 C ATOM 2162 CG ASP A 136 128.262 4.083 -7.177 1.00 0.00 C ATOM 2163 OD1 ASP A 136 128.822 3.704 -6.159 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 128.091 5.256 -7.463 1.00 0.00 O ATOM 0 H ASP A 136 130.009 2.106 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 136 127.997 1.430 -6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.083 3.260 -9.171 1.00 0.00 H new ATOM 0 HB3 ASP A 136 126.654 3.038 -8.181 1.00 0.00 H new ATOM 2169 N GLU A 137 127.451 -0.624 -8.048 1.00 0.00 N ATOM 2170 CA GLU A 137 126.853 -1.767 -8.801 1.00 0.00 C ATOM 2171 C GLU A 137 125.377 -1.520 -9.130 1.00 0.00 C ATOM 2172 O GLU A 137 124.912 -1.840 -10.206 1.00 0.00 O ATOM 2173 CB GLU A 137 126.974 -2.955 -7.842 1.00 0.00 C ATOM 2174 CG GLU A 137 128.449 -3.302 -7.627 1.00 0.00 C ATOM 2175 CD GLU A 137 129.054 -3.805 -8.939 1.00 0.00 C ATOM 2176 OE1 GLU A 137 128.294 -4.218 -9.800 1.00 0.00 O1- ATOM 2177 OE2 GLU A 137 130.267 -3.773 -9.061 1.00 0.00 O ATOM 0 H GLU A 137 127.725 -0.841 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 137 127.357 -1.924 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.506 -2.713 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.444 -3.817 -8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.992 -2.424 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 137 128.545 -4.065 -6.854 1.00 0.00 H new ATOM 2184 N LEU A 138 124.632 -0.975 -8.208 1.00 0.00 N ATOM 2185 CA LEU A 138 123.182 -0.736 -8.468 1.00 0.00 C ATOM 2186 C LEU A 138 122.895 0.762 -8.682 1.00 0.00 C ATOM 2187 O LEU A 138 123.583 1.603 -8.136 1.00 0.00 O ATOM 2188 CB LEU A 138 122.474 -1.230 -7.202 1.00 0.00 C ATOM 2189 CG LEU A 138 121.660 -2.488 -7.514 1.00 0.00 C ATOM 2190 CD1 LEU A 138 122.494 -3.732 -7.195 1.00 0.00 C ATOM 2191 CD2 LEU A 138 120.393 -2.502 -6.656 1.00 0.00 C ATOM 0 H LEU A 138 124.962 -0.685 -7.288 1.00 0.00 H new ATOM 0 HA LEU A 138 122.844 -1.248 -9.369 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.208 -1.445 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.819 -0.450 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 138 121.390 -2.488 -8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 138 121.913 -4.627 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 138 123.400 -3.728 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 138 122.764 -3.728 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 138 119.813 -3.398 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 138 120.668 -2.500 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 138 119.794 -1.618 -6.877 1.00 0.00 H new ATOM 2203 N PRO A 139 121.865 1.051 -9.446 1.00 0.00 N ATOM 2204 CA PRO A 139 121.473 2.464 -9.694 1.00 0.00 C ATOM 2205 C PRO A 139 120.835 3.028 -8.423 1.00 0.00 C ATOM 2206 O PRO A 139 120.819 2.379 -7.395 1.00 0.00 O ATOM 2207 CB PRO A 139 120.447 2.363 -10.822 1.00 0.00 C ATOM 2208 CG PRO A 139 119.884 0.982 -10.706 1.00 0.00 C ATOM 2209 CD PRO A 139 120.974 0.111 -10.150 1.00 0.00 C ATOM 0 HA PRO A 139 122.305 3.117 -9.956 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.668 3.118 -10.716 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.913 2.520 -11.795 1.00 0.00 H new ATOM 0 HG2 PRO A 139 119.012 0.974 -10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.556 0.616 -11.679 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.574 -0.643 -9.472 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.502 -0.421 -10.942 1.00 0.00 H new ATOM 2217 N ASN A 140 120.282 4.206 -8.474 1.00 0.00 N ATOM 2218 CA ASN A 140 119.617 4.772 -7.266 1.00 0.00 C ATOM 2219 C ASN A 140 118.136 5.080 -7.572 1.00 0.00 C ATOM 2220 O ASN A 140 117.429 5.613 -6.742 1.00 0.00 O ATOM 2221 CB ASN A 140 120.373 6.068 -6.965 1.00 0.00 C ATOM 2222 CG ASN A 140 121.778 5.744 -6.455 1.00 0.00 C ATOM 2223 OD1 ASN A 140 121.940 5.236 -5.366 1.00 0.00 O ATOM 2224 ND2 ASN A 140 122.810 6.014 -7.202 1.00 0.00 N ATOM 0 H ASN A 140 120.261 4.803 -9.301 1.00 0.00 H new ATOM 0 HA ASN A 140 119.637 4.080 -6.424 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.435 6.680 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 140 119.831 6.651 -6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 140 123.750 5.798 -6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.678 6.441 -8.119 1.00 0.00 H new ATOM 2231 N THR A 141 117.674 4.768 -8.761 1.00 0.00 N ATOM 2232 CA THR A 141 116.261 5.063 -9.129 1.00 0.00 C ATOM 2233 C THR A 141 115.282 4.272 -8.258 1.00 0.00 C ATOM 2234 O THR A 141 115.665 3.437 -7.462 1.00 0.00 O ATOM 2235 CB THR A 141 116.144 4.624 -10.589 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.470 3.243 -10.689 1.00 0.00 O ATOM 2237 CG2 THR A 141 117.107 5.440 -11.456 1.00 0.00 C ATOM 0 H THR A 141 118.223 4.319 -9.494 1.00 0.00 H new ATOM 0 HA THR A 141 116.017 6.115 -8.983 1.00 0.00 H new ATOM 0 HB THR A 141 115.124 4.789 -10.936 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.395 2.956 -11.623 1.00 0.00 H new ATOM 0 HG21 THR A 141 117.019 5.123 -12.495 1.00 0.00 H new ATOM 0 HG22 THR A 141 116.859 6.499 -11.378 1.00 0.00 H new ATOM 0 HG23 THR A 141 118.129 5.280 -11.113 1.00 0.00 H new ATOM 2245 N ILE A 142 114.014 4.551 -8.406 1.00 0.00 N ATOM 2246 CA ILE A 142 112.979 3.849 -7.595 1.00 0.00 C ATOM 2247 C ILE A 142 112.288 2.763 -8.420 1.00 0.00 C ATOM 2248 O ILE A 142 111.920 2.968 -9.560 1.00 0.00 O ATOM 2249 CB ILE A 142 111.979 4.936 -7.208 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.680 5.975 -6.333 1.00 0.00 C ATOM 2251 CG2 ILE A 142 110.817 4.314 -6.426 1.00 0.00 C ATOM 2252 CD1 ILE A 142 111.803 7.221 -6.223 1.00 0.00 C ATOM 0 H ILE A 142 113.649 5.242 -9.061 1.00 0.00 H new ATOM 0 HA ILE A 142 113.411 3.354 -6.725 1.00 0.00 H new ATOM 0 HB ILE A 142 111.593 5.412 -8.109 1.00 0.00 H new ATOM 0 HG12 ILE A 142 112.871 5.563 -5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.648 6.235 -6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.105 5.093 -6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.319 3.569 -7.046 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.200 3.837 -5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.302 7.963 -5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.635 7.636 -7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 142 110.846 6.954 -5.775 1.00 0.00 H new ATOM 2264 N SER A 143 112.094 1.614 -7.840 1.00 0.00 N ATOM 2265 CA SER A 143 111.409 0.511 -8.566 1.00 0.00 C ATOM 2266 C SER A 143 109.912 0.539 -8.237 1.00 0.00 C ATOM 2267 O SER A 143 109.520 0.722 -7.102 1.00 0.00 O ATOM 2268 CB SER A 143 112.070 -0.764 -8.043 1.00 0.00 C ATOM 2269 OG SER A 143 111.595 -1.882 -8.780 1.00 0.00 O ATOM 0 H SER A 143 112.382 1.390 -6.888 1.00 0.00 H new ATOM 0 HA SER A 143 111.496 0.588 -9.650 1.00 0.00 H new ATOM 0 HB2 SER A 143 113.153 -0.688 -8.135 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.848 -0.893 -6.984 1.00 0.00 H new ATOM 0 HG SER A 143 112.314 -2.229 -9.348 1.00 0.00 H new ATOM 2275 N LYS A 144 109.074 0.370 -9.225 1.00 0.00 N ATOM 2276 CA LYS A 144 107.604 0.398 -8.968 1.00 0.00 C ATOM 2277 C LYS A 144 106.929 -0.819 -9.595 1.00 0.00 C ATOM 2278 O LYS A 144 107.248 -1.219 -10.697 1.00 0.00 O ATOM 2279 CB LYS A 144 107.101 1.678 -9.634 1.00 0.00 C ATOM 2280 CG LYS A 144 105.583 1.780 -9.461 1.00 0.00 C ATOM 2281 CD LYS A 144 105.085 3.079 -10.095 1.00 0.00 C ATOM 2282 CE LYS A 144 103.568 3.198 -9.908 1.00 0.00 C ATOM 2283 NZ LYS A 144 103.191 4.465 -10.598 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.343 0.214 -10.197 1.00 0.00 H new ATOM 0 HA LYS A 144 107.380 0.375 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.588 2.547 -9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 144 107.358 1.675 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 144 105.095 0.924 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 144 105.324 1.757 -8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 144 105.585 3.933 -9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 144 105.332 3.095 -11.156 1.00 0.00 H new ATOM 0 HE2 LYS A 144 103.049 2.343 -10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 144 103.302 3.230 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 102.165 4.615 -10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 103.695 5.262 -10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 103.449 4.403 -11.603 1.00 0.00 H new ATOM 2297 N GLY A 145 106.002 -1.415 -8.903 1.00 0.00 N ATOM 2298 CA GLY A 145 105.317 -2.609 -9.466 1.00 0.00 C ATOM 2299 C GLY A 145 105.425 -3.764 -8.474 1.00 0.00 C ATOM 2300 O GLY A 145 104.722 -3.731 -7.479 1.00 0.00 O ATOM 2301 OXT GLY A 145 106.216 -4.660 -8.722 1.00 0.00 O ATOM 0 H GLY A 145 105.689 -1.129 -7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 145 104.270 -2.382 -9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 145 105.770 -2.888 -10.418 1.00 0.00 H new