USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 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 20 HIS : no HE2:sc= -8.92! C(o=-8.1!,f=-14!) USER MOD Set 1.2: A 83 TYR OH : rot 17:sc= 0.862 USER MOD Set 2.1: A 37 GLN : amide:sc= -2.68 K(o=-2.8,f=-15!) USER MOD Set 2.2: A 46 LYS NZ :NH3+ -177:sc= -0.142 (180deg=-0.754) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.118 K(o=-0.12,f=-2!) USER MOD Single : A 14 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0085 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= -4.62! (180deg=-5.51!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -4.33! K(o=-4.3!,f=-0.77) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0985 K(o=-0.099,f=-0.63) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 60 ASN : amide:sc= -0.0145 K(o=-0.015,f=-1.4) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -3.76! USER MOD Single : A 67 THR OG1 : rot 21:sc= 0.37 USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0.611 (180deg=0.56) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0239 K(o=-0.024,f=-1.2) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 135:sc= -0.644 (180deg=-2.45!) USER MOD Single : A 100 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 10.005 4.351 5.814 1.00 0.00 N ATOM 100 CA SER A 10 10.111 3.396 6.911 1.00 0.00 C ATOM 101 C SER A 10 9.316 3.871 8.123 1.00 0.00 C ATOM 102 O SER A 10 8.536 3.115 8.702 1.00 0.00 O ATOM 103 CB SER A 10 11.577 3.191 7.296 1.00 0.00 C ATOM 104 OG SER A 10 11.691 2.392 8.461 1.00 0.00 O ATOM 0 HA SER A 10 9.695 2.446 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.110 2.716 6.472 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.050 4.158 7.467 1.00 0.00 H new ATOM 0 HG SER A 10 12.638 2.274 8.686 1.00 0.00 H new ATOM 110 N GLN A 11 9.521 5.129 8.501 1.00 0.00 N ATOM 111 CA GLN A 11 8.824 5.706 9.645 1.00 0.00 C ATOM 112 C GLN A 11 7.322 5.459 9.549 1.00 0.00 C ATOM 113 O GLN A 11 6.649 5.268 10.561 1.00 0.00 O ATOM 114 CB GLN A 11 9.101 7.207 9.734 1.00 0.00 C ATOM 115 CG GLN A 11 10.480 7.540 10.280 1.00 0.00 C ATOM 116 CD GLN A 11 10.559 8.942 10.852 1.00 0.00 C ATOM 117 OE1 GLN A 11 9.537 9.580 11.103 1.00 0.00 O ATOM 118 NE2 GLN A 11 11.777 9.428 11.062 1.00 0.00 N ATOM 0 H GLN A 11 10.163 5.768 8.032 1.00 0.00 H new ATOM 0 HA GLN A 11 9.196 5.221 10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.996 7.647 8.742 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.346 7.670 10.369 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.743 6.820 11.055 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.217 7.435 9.484 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.597 8.863 10.839 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.893 10.366 11.446 1.00 0.00 H new ATOM 127 N ARG A 12 6.804 5.464 8.325 1.00 0.00 N ATOM 128 CA ARG A 12 5.381 5.242 8.097 1.00 0.00 C ATOM 129 C ARG A 12 5.009 3.786 8.361 1.00 0.00 C ATOM 130 O ARG A 12 5.826 2.876 8.222 1.00 0.00 O ATOM 131 CB ARG A 12 5.007 5.623 6.664 1.00 0.00 C ATOM 132 CG ARG A 12 5.436 7.029 6.276 1.00 0.00 C ATOM 133 CD ARG A 12 4.382 8.058 6.654 1.00 0.00 C ATOM 134 NE ARG A 12 4.969 9.364 6.938 1.00 0.00 N ATOM 135 CZ ARG A 12 4.388 10.280 7.704 1.00 0.00 C ATOM 136 NH1 ARG A 12 3.210 10.033 8.261 1.00 0.00 N ATOM 137 NH2 ARG A 12 4.985 11.446 7.916 1.00 0.00 N ATOM 0 H ARG A 12 7.348 5.619 7.476 1.00 0.00 H new ATOM 0 HA ARG A 12 4.825 5.873 8.790 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.463 4.910 5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.927 5.535 6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.377 7.272 6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.619 7.071 5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.661 8.154 5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.833 7.710 7.529 1.00 0.00 H new ATOM 0 HE ARG A 12 5.875 9.585 6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.748 9.138 8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.766 10.738 8.849 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.891 11.640 7.490 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.537 12.149 8.505 1.00 0.00 H new ATOM 151 N PRO A 13 3.746 3.559 8.751 1.00 0.00 N ATOM 152 CA PRO A 13 3.236 2.216 9.042 1.00 0.00 C ATOM 153 C PRO A 13 3.106 1.360 7.786 1.00 0.00 C ATOM 154 O PRO A 13 2.740 1.856 6.721 1.00 0.00 O ATOM 155 CB PRO A 13 1.858 2.483 9.652 1.00 0.00 C ATOM 156 CG PRO A 13 1.449 3.805 9.098 1.00 0.00 C ATOM 157 CD PRO A 13 2.717 4.596 8.937 1.00 0.00 C ATOM 0 HA PRO A 13 3.906 1.659 9.697 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.147 1.703 9.381 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.905 2.507 10.741 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.939 3.687 8.142 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.755 4.312 9.769 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.665 5.268 8.081 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.921 5.211 9.813 1.00 0.00 H new ATOM 165 N TYR A 14 3.407 0.073 7.919 1.00 0.00 N ATOM 166 CA TYR A 14 3.326 -0.851 6.794 1.00 0.00 C ATOM 167 C TYR A 14 2.011 -0.676 6.040 1.00 0.00 C ATOM 168 O TYR A 14 2.000 -0.300 4.868 1.00 0.00 O ATOM 169 CB TYR A 14 3.459 -2.294 7.282 1.00 0.00 C ATOM 170 CG TYR A 14 3.946 -3.251 6.218 1.00 0.00 C ATOM 171 CD1 TYR A 14 5.148 -3.030 5.555 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.206 -4.375 5.874 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.597 -3.901 4.582 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.648 -5.252 4.902 1.00 0.00 C ATOM 175 CZ TYR A 14 4.844 -5.010 4.259 1.00 0.00 C ATOM 176 OH TYR A 14 5.287 -5.881 3.290 1.00 0.00 O ATOM 0 H TYR A 14 3.709 -0.354 8.795 1.00 0.00 H new ATOM 0 HA TYR A 14 4.147 -0.628 6.113 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.148 -2.321 8.126 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.491 -2.635 7.650 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.741 -2.162 5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.269 -4.567 6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.533 -3.715 4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.061 -6.122 4.647 1.00 0.00 H new ATOM 0 HH TYR A 14 4.781 -6.719 3.347 1.00 0.00 H new ATOM 186 N ARG A 15 0.904 -0.952 6.723 1.00 0.00 N ATOM 187 CA ARG A 15 -0.417 -0.826 6.119 1.00 0.00 C ATOM 188 C ARG A 15 -0.445 0.314 5.105 1.00 0.00 C ATOM 189 O ARG A 15 -0.756 0.107 3.932 1.00 0.00 O ATOM 190 CB ARG A 15 -1.474 -0.589 7.199 1.00 0.00 C ATOM 191 CG ARG A 15 -2.749 0.051 6.673 1.00 0.00 C ATOM 192 CD ARG A 15 -3.941 -0.271 7.560 1.00 0.00 C ATOM 193 NE ARG A 15 -4.119 0.719 8.618 1.00 0.00 N ATOM 194 CZ ARG A 15 -5.056 0.632 9.556 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.894 -0.395 9.568 1.00 0.00 N ATOM 196 NH2 ARG A 15 -5.155 1.574 10.486 1.00 0.00 N ATOM 0 H ARG A 15 0.896 -1.264 7.694 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.642 -1.757 5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.722 -1.541 7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.051 0.048 7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.618 1.132 6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.943 -0.301 5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.844 -0.317 6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.806 -1.257 8.005 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.490 1.521 8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.821 -1.121 8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.612 -0.459 10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.511 2.365 10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.875 1.506 11.206 1.00 0.00 H new ATOM 210 N ASP A 16 -0.119 1.516 5.566 1.00 0.00 N ATOM 211 CA ASP A 16 -0.106 2.689 4.699 1.00 0.00 C ATOM 212 C ASP A 16 0.714 2.426 3.440 1.00 0.00 C ATOM 213 O ASP A 16 0.247 2.653 2.324 1.00 0.00 O ATOM 214 CB ASP A 16 0.459 3.897 5.448 1.00 0.00 C ATOM 215 CG ASP A 16 -0.575 4.567 6.331 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.049 3.918 7.288 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.910 5.740 6.066 1.00 0.00 O ATOM 0 H ASP A 16 0.140 1.704 6.535 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.133 2.903 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.303 3.579 6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.841 4.621 4.728 1.00 0.00 H new ATOM 222 N ARG A 17 1.940 1.948 3.628 1.00 0.00 N ATOM 223 CA ARG A 17 2.826 1.656 2.508 1.00 0.00 C ATOM 224 C ARG A 17 2.180 0.661 1.548 1.00 0.00 C ATOM 225 O ARG A 17 2.417 0.704 0.341 1.00 0.00 O ATOM 226 CB ARG A 17 4.158 1.101 3.015 1.00 0.00 C ATOM 227 CG ARG A 17 4.863 2.016 4.003 1.00 0.00 C ATOM 228 CD ARG A 17 5.971 1.285 4.746 1.00 0.00 C ATOM 229 NE ARG A 17 7.178 1.152 3.935 1.00 0.00 N ATOM 230 CZ ARG A 17 8.344 0.733 4.415 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.459 0.409 5.695 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.397 0.638 3.614 1.00 0.00 N ATOM 0 H ARG A 17 2.342 1.755 4.545 1.00 0.00 H new ATOM 0 HA ARG A 17 3.009 2.586 1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.983 0.135 3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.816 0.924 2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.282 2.872 3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.140 2.407 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.208 1.823 5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.620 0.295 5.038 1.00 0.00 H new ATOM 0 HE ARG A 17 7.123 1.394 2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.651 0.481 6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.355 0.088 6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.312 0.887 2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.292 0.316 3.984 1.00 0.00 H new ATOM 246 N VAL A 18 1.363 -0.234 2.094 1.00 0.00 N ATOM 247 CA VAL A 18 0.682 -1.240 1.287 1.00 0.00 C ATOM 248 C VAL A 18 -0.448 -0.619 0.473 1.00 0.00 C ATOM 249 O VAL A 18 -0.454 -0.692 -0.756 1.00 0.00 O ATOM 250 CB VAL A 18 0.109 -2.369 2.163 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.757 -3.303 1.332 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.232 -3.135 2.846 1.00 0.00 C ATOM 0 H VAL A 18 1.157 -0.283 3.092 1.00 0.00 H new ATOM 0 HA VAL A 18 1.426 -1.659 0.609 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.518 -1.924 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.153 -4.094 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.583 -2.741 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.157 -3.744 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.809 -3.929 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.887 -3.570 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.806 -2.455 3.476 1.00 0.00 H new ATOM 262 N ILE A 19 -1.402 -0.007 1.167 1.00 0.00 N ATOM 263 CA ILE A 19 -2.536 0.628 0.509 1.00 0.00 C ATOM 264 C ILE A 19 -2.073 1.690 -0.482 1.00 0.00 C ATOM 265 O ILE A 19 -2.550 1.747 -1.616 1.00 0.00 O ATOM 266 CB ILE A 19 -3.489 1.277 1.531 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.753 2.348 2.338 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.075 0.219 2.454 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.587 2.946 3.450 1.00 0.00 C ATOM 0 H ILE A 19 -1.412 0.062 2.185 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.070 -0.157 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.307 1.754 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.850 1.913 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.435 3.144 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.746 0.693 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.630 -0.511 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.269 -0.284 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.002 3.698 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.477 3.411 3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.883 2.161 4.145 1.00 0.00 H new ATOM 281 N HIS A 20 -1.138 2.530 -0.048 1.00 0.00 N ATOM 282 CA HIS A 20 -0.607 3.589 -0.898 1.00 0.00 C ATOM 283 C HIS A 20 -0.120 3.025 -2.230 1.00 0.00 C ATOM 284 O HIS A 20 -0.050 3.739 -3.230 1.00 0.00 O ATOM 285 CB HIS A 20 0.537 4.316 -0.190 1.00 0.00 C ATOM 286 CG HIS A 20 0.076 5.405 0.729 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.110 5.294 2.103 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.428 6.633 0.464 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.356 6.405 2.644 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.689 7.234 1.671 1.00 0.00 N ATOM 0 H HIS A 20 -0.733 2.497 0.887 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.411 4.298 -1.096 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.119 3.592 0.381 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.205 4.742 -0.939 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.443 4.481 2.621 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.594 7.060 -0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.449 6.602 3.702 1.00 0.00 H new ATOM 298 N LEU A 21 0.215 1.740 -2.234 1.00 0.00 N ATOM 299 CA LEU A 21 0.697 1.079 -3.442 1.00 0.00 C ATOM 300 C LEU A 21 -0.461 0.477 -4.232 1.00 0.00 C ATOM 301 O LEU A 21 -0.577 0.684 -5.440 1.00 0.00 O ATOM 302 CB LEU A 21 1.706 -0.013 -3.083 1.00 0.00 C ATOM 303 CG LEU A 21 3.098 0.469 -2.671 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.971 -0.707 -2.263 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.748 1.250 -3.804 1.00 0.00 C ATOM 0 H LEU A 21 0.162 1.135 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 21 1.188 1.827 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.293 -0.608 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.812 -0.678 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 21 2.993 1.132 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.957 -0.345 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.513 -1.225 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.070 -1.395 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.738 1.585 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.840 0.610 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.132 2.115 -4.050 1.00 0.00 H new ATOM 317 N LEU A 22 -1.317 -0.269 -3.541 1.00 0.00 N ATOM 318 CA LEU A 22 -2.468 -0.900 -4.177 1.00 0.00 C ATOM 319 C LEU A 22 -3.403 0.148 -4.773 1.00 0.00 C ATOM 320 O LEU A 22 -4.098 -0.113 -5.754 1.00 0.00 O ATOM 321 CB LEU A 22 -3.227 -1.760 -3.164 1.00 0.00 C ATOM 322 CG LEU A 22 -2.500 -3.010 -2.668 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.181 -3.567 -1.427 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.440 -4.063 -3.764 1.00 0.00 C ATOM 0 H LEU A 22 -1.235 -0.451 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.103 -1.536 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.471 -1.140 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.171 -2.067 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.480 -2.732 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.650 -4.456 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.170 -2.815 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.212 -3.829 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.919 -4.945 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.452 -4.337 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.906 -3.662 -4.625 1.00 0.00 H new ATOM 336 N ALA A 23 -3.414 1.334 -4.173 1.00 0.00 N ATOM 337 CA ALA A 23 -4.260 2.422 -4.647 1.00 0.00 C ATOM 338 C ALA A 23 -4.062 2.661 -6.140 1.00 0.00 C ATOM 339 O ALA A 23 -4.963 2.415 -6.943 1.00 0.00 O ATOM 340 CB ALA A 23 -3.971 3.694 -3.864 1.00 0.00 C ATOM 0 H ALA A 23 -2.846 1.565 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.300 2.138 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.610 4.499 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.170 3.523 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.926 3.973 -3.996 1.00 0.00 H new ATOM 346 N LEU A 24 -2.879 3.141 -6.506 1.00 0.00 N ATOM 347 CA LEU A 24 -2.563 3.414 -7.904 1.00 0.00 C ATOM 348 C LEU A 24 -3.074 2.296 -8.806 1.00 0.00 C ATOM 349 O LEU A 24 -3.698 2.550 -9.836 1.00 0.00 O ATOM 350 CB LEU A 24 -1.053 3.580 -8.083 1.00 0.00 C ATOM 351 CG LEU A 24 -0.441 4.847 -7.484 1.00 0.00 C ATOM 352 CD1 LEU A 24 1.060 4.882 -7.730 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.107 6.086 -8.064 1.00 0.00 C ATOM 0 H LEU A 24 -2.122 3.349 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.060 4.341 -8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.558 2.716 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.830 3.562 -9.150 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.612 4.837 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.479 5.790 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.525 4.012 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.253 4.869 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.659 6.978 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.967 6.102 -9.145 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.173 6.066 -7.837 1.00 0.00 H new ATOM 365 N LYS A 25 -2.807 1.055 -8.411 1.00 0.00 N ATOM 366 CA LYS A 25 -3.242 -0.104 -9.181 1.00 0.00 C ATOM 367 C LYS A 25 -3.198 -1.369 -8.331 1.00 0.00 C ATOM 368 O LYS A 25 -2.610 -1.382 -7.250 1.00 0.00 O ATOM 369 CB LYS A 25 -2.362 -0.278 -10.421 1.00 0.00 C ATOM 370 CG LYS A 25 -0.997 -0.871 -10.119 1.00 0.00 C ATOM 371 CD LYS A 25 -0.325 -1.394 -11.378 1.00 0.00 C ATOM 372 CE LYS A 25 0.816 -2.344 -11.047 1.00 0.00 C ATOM 373 NZ LYS A 25 1.581 -2.736 -12.263 1.00 0.00 N ATOM 0 H LYS A 25 -2.291 0.827 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.272 0.065 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.878 -0.920 -11.135 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.230 0.691 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.365 -0.114 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.103 -1.682 -9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.060 -1.908 -11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.055 -0.557 -11.963 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.488 -1.869 -10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.417 -3.237 -10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.350 -3.384 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.945 -3.212 -12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.983 -1.887 -12.709 1.00 0.00 H new ATOM 387 N ALA A 26 -3.821 -2.433 -8.828 1.00 0.00 N ATOM 388 CA ALA A 26 -3.850 -3.704 -8.115 1.00 0.00 C ATOM 389 C ALA A 26 -2.470 -4.354 -8.097 1.00 0.00 C ATOM 390 O ALA A 26 -1.765 -4.365 -9.106 1.00 0.00 O ATOM 391 CB ALA A 26 -4.868 -4.641 -8.748 1.00 0.00 C ATOM 0 H ALA A 26 -4.312 -2.440 -9.722 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.145 -3.508 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.879 -5.586 -8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.858 -4.186 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.598 -4.823 -9.788 1.00 0.00 H new ATOM 397 N TYR A 27 -2.091 -4.893 -6.944 1.00 0.00 N ATOM 398 CA TYR A 27 -0.794 -5.542 -6.793 1.00 0.00 C ATOM 399 C TYR A 27 -0.949 -6.939 -6.201 1.00 0.00 C ATOM 400 O TYR A 27 -1.811 -7.175 -5.354 1.00 0.00 O ATOM 401 CB TYR A 27 0.122 -4.698 -5.905 1.00 0.00 C ATOM 402 CG TYR A 27 0.921 -3.664 -6.668 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.370 -2.430 -6.988 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.226 -3.923 -7.067 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.096 -1.483 -7.685 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.960 -2.982 -7.763 1.00 0.00 C ATOM 407 CZ TYR A 27 2.390 -1.764 -8.070 1.00 0.00 C ATOM 408 OH TYR A 27 3.117 -0.823 -8.764 1.00 0.00 O ATOM 0 H TYR A 27 -2.664 -4.893 -6.100 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.345 -5.634 -7.782 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.481 -4.194 -5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.809 -5.358 -5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.643 -2.207 -6.687 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.675 -4.876 -6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.653 -0.528 -7.927 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.974 -3.199 -8.065 1.00 0.00 H new ATOM 0 HH TYR A 27 4.010 -1.177 -8.958 1.00 0.00 H new ATOM 418 N LYS A 28 -0.107 -7.862 -6.651 1.00 0.00 N ATOM 419 CA LYS A 28 -0.146 -9.237 -6.166 1.00 0.00 C ATOM 420 C LYS A 28 0.737 -9.404 -4.934 1.00 0.00 C ATOM 421 O LYS A 28 1.740 -8.708 -4.777 1.00 0.00 O ATOM 422 CB LYS A 28 0.305 -10.201 -7.266 1.00 0.00 C ATOM 423 CG LYS A 28 -0.539 -10.124 -8.526 1.00 0.00 C ATOM 424 CD LYS A 28 0.267 -10.494 -9.760 1.00 0.00 C ATOM 425 CE LYS A 28 -0.336 -9.894 -11.021 1.00 0.00 C ATOM 426 NZ LYS A 28 0.002 -10.692 -12.232 1.00 0.00 N ATOM 0 H LYS A 28 0.612 -7.683 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.174 -9.469 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.343 -9.988 -7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.274 -11.220 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.394 -10.794 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.936 -9.115 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.293 -10.144 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.309 -11.579 -9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.419 -9.838 -10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.026 -8.873 -11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.427 -10.250 -13.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.035 -10.725 -12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.365 -11.659 -12.124 1.00 0.00 H new ATOM 440 N LYS A 29 0.359 -10.333 -4.062 1.00 0.00 N ATOM 441 CA LYS A 29 1.118 -10.596 -2.845 1.00 0.00 C ATOM 442 C LYS A 29 2.614 -10.435 -3.092 1.00 0.00 C ATOM 443 O LYS A 29 3.304 -9.683 -2.403 1.00 0.00 O ATOM 444 CB LYS A 29 0.823 -12.006 -2.330 1.00 0.00 C ATOM 445 CG LYS A 29 1.881 -12.540 -1.380 1.00 0.00 C ATOM 446 CD LYS A 29 1.543 -12.220 0.067 1.00 0.00 C ATOM 447 CE LYS A 29 2.097 -10.866 0.482 1.00 0.00 C ATOM 448 NZ LYS A 29 3.472 -10.977 1.044 1.00 0.00 N ATOM 0 H LYS A 29 -0.470 -10.917 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 29 0.812 -9.870 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.142 -12.004 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.735 -12.683 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.971 -13.619 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.849 -12.108 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.461 -12.228 0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.949 -12.995 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.110 -10.199 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.437 -10.415 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.994 -10.096 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.416 -11.141 2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.968 -11.772 0.593 1.00 0.00 H new ATOM 462 N PRO A 30 3.130 -11.156 -4.098 1.00 0.00 N ATOM 463 CA PRO A 30 4.549 -11.109 -4.460 1.00 0.00 C ATOM 464 C PRO A 30 4.945 -9.775 -5.084 1.00 0.00 C ATOM 465 O PRO A 30 5.927 -9.156 -4.675 1.00 0.00 O ATOM 466 CB PRO A 30 4.693 -12.240 -5.482 1.00 0.00 C ATOM 467 CG PRO A 30 3.332 -12.397 -6.067 1.00 0.00 C ATOM 468 CD PRO A 30 2.366 -12.073 -4.961 1.00 0.00 C ATOM 0 HA PRO A 30 5.195 -11.218 -3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.427 -11.990 -6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.029 -13.162 -5.008 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.192 -11.727 -6.916 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.179 -13.412 -6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.460 -11.603 -5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.057 -12.969 -4.422 1.00 0.00 H new ATOM 476 N GLU A 31 4.173 -9.338 -6.075 1.00 0.00 N ATOM 477 CA GLU A 31 4.445 -8.077 -6.754 1.00 0.00 C ATOM 478 C GLU A 31 4.505 -6.924 -5.756 1.00 0.00 C ATOM 479 O GLU A 31 5.546 -6.287 -5.588 1.00 0.00 O ATOM 480 CB GLU A 31 3.371 -7.799 -7.808 1.00 0.00 C ATOM 481 CG GLU A 31 3.764 -6.723 -8.807 1.00 0.00 C ATOM 482 CD GLU A 31 4.581 -7.270 -9.962 1.00 0.00 C ATOM 483 OE1 GLU A 31 5.773 -7.578 -9.752 1.00 0.00 O ATOM 484 OE2 GLU A 31 4.028 -7.389 -11.075 1.00 0.00 O ATOM 0 H GLU A 31 3.356 -9.838 -6.425 1.00 0.00 H new ATOM 0 HA GLU A 31 5.414 -8.159 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.155 -8.722 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.451 -7.499 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.864 -6.248 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.337 -5.949 -8.296 1.00 0.00 H new ATOM 491 N LEU A 32 3.381 -6.659 -5.098 1.00 0.00 N ATOM 492 CA LEU A 32 3.305 -5.582 -4.117 1.00 0.00 C ATOM 493 C LEU A 32 4.588 -5.501 -3.297 1.00 0.00 C ATOM 494 O LEU A 32 5.098 -4.412 -3.030 1.00 0.00 O ATOM 495 CB LEU A 32 2.106 -5.794 -3.191 1.00 0.00 C ATOM 496 CG LEU A 32 1.459 -4.528 -2.630 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.446 -4.879 -1.552 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.520 -3.585 -2.081 1.00 0.00 C ATOM 0 H LEU A 32 2.511 -7.175 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 32 3.180 -4.642 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.347 -6.355 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.424 -6.417 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 32 0.935 -4.021 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.004 -3.965 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.331 -5.515 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.946 -5.409 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.041 -2.689 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.072 -4.083 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.208 -3.307 -2.880 1.00 0.00 H new ATOM 510 N LEU A 33 5.106 -6.658 -2.901 1.00 0.00 N ATOM 511 CA LEU A 33 6.331 -6.719 -2.113 1.00 0.00 C ATOM 512 C LEU A 33 7.502 -6.112 -2.880 1.00 0.00 C ATOM 513 O LEU A 33 8.188 -5.220 -2.381 1.00 0.00 O ATOM 514 CB LEU A 33 6.648 -8.167 -1.737 1.00 0.00 C ATOM 515 CG LEU A 33 5.985 -8.690 -0.462 1.00 0.00 C ATOM 516 CD1 LEU A 33 6.019 -10.210 -0.428 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.667 -8.112 0.770 1.00 0.00 C ATOM 0 H LEU A 33 4.696 -7.568 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 33 6.177 -6.140 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.352 -8.810 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.728 -8.265 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 33 4.943 -8.370 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.543 -10.564 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.485 -10.605 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.054 -10.551 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.182 -8.495 1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.718 -8.401 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.590 -7.025 0.752 1.00 0.00 H new ATOM 529 N ALA A 34 7.724 -6.602 -4.095 1.00 0.00 N ATOM 530 CA ALA A 34 8.809 -6.105 -4.932 1.00 0.00 C ATOM 531 C ALA A 34 8.877 -4.583 -4.897 1.00 0.00 C ATOM 532 O ALA A 34 9.916 -3.991 -5.191 1.00 0.00 O ATOM 533 CB ALA A 34 8.638 -6.595 -6.363 1.00 0.00 C ATOM 0 H ALA A 34 7.167 -7.342 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 34 9.747 -6.493 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.455 -6.217 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.647 -7.685 -6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.689 -6.235 -6.760 1.00 0.00 H new ATOM 539 N ARG A 35 7.763 -3.953 -4.537 1.00 0.00 N ATOM 540 CA ARG A 35 7.697 -2.499 -4.465 1.00 0.00 C ATOM 541 C ARG A 35 8.105 -2.003 -3.081 1.00 0.00 C ATOM 542 O ARG A 35 8.680 -0.922 -2.941 1.00 0.00 O ATOM 543 CB ARG A 35 6.283 -2.015 -4.795 1.00 0.00 C ATOM 544 CG ARG A 35 5.983 -1.981 -6.284 1.00 0.00 C ATOM 545 CD ARG A 35 6.739 -0.861 -6.980 1.00 0.00 C ATOM 546 NE ARG A 35 6.087 0.434 -6.801 1.00 0.00 N ATOM 547 CZ ARG A 35 6.490 1.549 -7.399 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.538 1.528 -8.211 1.00 0.00 N ATOM 549 NH2 ARG A 35 5.844 2.688 -7.186 1.00 0.00 N ATOM 0 H ARG A 35 6.894 -4.427 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 35 8.394 -2.092 -5.198 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.561 -2.666 -4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.145 -1.016 -4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.253 -2.937 -6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.912 -1.848 -6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.755 -0.812 -6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.817 -1.083 -8.044 1.00 0.00 H new ATOM 0 HE ARG A 35 5.277 0.484 -6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.037 0.654 -8.378 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.845 2.386 -8.669 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.037 2.708 -6.562 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.154 3.544 -7.646 1.00 0.00 H new ATOM 563 N LEU A 36 7.806 -2.799 -2.061 1.00 0.00 N ATOM 564 CA LEU A 36 8.141 -2.442 -0.687 1.00 0.00 C ATOM 565 C LEU A 36 9.519 -2.974 -0.307 1.00 0.00 C ATOM 566 O LEU A 36 10.383 -2.221 0.141 1.00 0.00 O ATOM 567 CB LEU A 36 7.087 -2.991 0.276 1.00 0.00 C ATOM 568 CG LEU A 36 5.699 -2.355 0.185 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.635 -3.325 0.674 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.652 -1.061 0.984 1.00 0.00 C ATOM 0 H LEU A 36 7.332 -3.697 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 36 8.158 -1.355 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.986 -4.062 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.455 -2.868 1.295 1.00 0.00 H new ATOM 0 HG LEU A 36 5.495 -2.121 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.654 -2.855 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.653 -4.225 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.835 -3.591 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.657 -0.622 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.877 -1.271 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.388 -0.362 0.588 1.00 0.00 H new ATOM 582 N GLN A 37 9.717 -4.275 -0.492 1.00 0.00 N ATOM 583 CA GLN A 37 10.991 -4.907 -0.170 1.00 0.00 C ATOM 584 C GLN A 37 12.157 -3.978 -0.493 1.00 0.00 C ATOM 585 O GLN A 37 13.075 -3.814 0.310 1.00 0.00 O ATOM 586 CB GLN A 37 11.142 -6.221 -0.939 1.00 0.00 C ATOM 587 CG GLN A 37 10.308 -7.358 -0.371 1.00 0.00 C ATOM 588 CD GLN A 37 11.062 -8.177 0.658 1.00 0.00 C ATOM 589 OE1 GLN A 37 10.773 -9.356 0.863 1.00 0.00 O ATOM 590 NE2 GLN A 37 12.037 -7.555 1.312 1.00 0.00 N ATOM 0 H GLN A 37 9.012 -4.912 -0.863 1.00 0.00 H new ATOM 0 HA GLN A 37 11.003 -5.117 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.859 -6.058 -1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.192 -6.515 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.406 -6.949 0.085 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.987 -8.009 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.243 -6.577 1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.580 -8.056 2.016 1.00 0.00 H new ATOM 599 N LYS A 38 12.114 -3.372 -1.675 1.00 0.00 N ATOM 600 CA LYS A 38 13.165 -2.458 -2.105 1.00 0.00 C ATOM 601 C LYS A 38 13.440 -1.403 -1.038 1.00 0.00 C ATOM 602 O LYS A 38 14.577 -1.233 -0.599 1.00 0.00 O ATOM 603 CB LYS A 38 12.773 -1.779 -3.419 1.00 0.00 C ATOM 604 CG LYS A 38 11.418 -1.095 -3.369 1.00 0.00 C ATOM 605 CD LYS A 38 10.925 -0.732 -4.760 1.00 0.00 C ATOM 606 CE LYS A 38 11.307 0.693 -5.133 1.00 0.00 C ATOM 607 NZ LYS A 38 10.335 1.297 -6.085 1.00 0.00 N ATOM 0 H LYS A 38 11.362 -3.498 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 38 14.075 -3.038 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.533 -1.042 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.766 -2.524 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.695 -1.752 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.487 -0.194 -2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.346 -1.425 -5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.841 -0.843 -4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.359 1.303 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.302 0.697 -5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.631 2.267 -6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.304 0.730 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.390 1.316 -5.651 1.00 0.00 H new ATOM 621 N ASP A 39 12.392 -0.700 -0.625 1.00 0.00 N ATOM 622 CA ASP A 39 12.519 0.337 0.393 1.00 0.00 C ATOM 623 C ASP A 39 12.822 -0.276 1.757 1.00 0.00 C ATOM 624 O ASP A 39 13.308 0.404 2.660 1.00 0.00 O ATOM 625 CB ASP A 39 11.239 1.170 0.467 1.00 0.00 C ATOM 626 CG ASP A 39 11.255 2.342 -0.494 1.00 0.00 C ATOM 627 OD1 ASP A 39 12.312 2.997 -0.613 1.00 0.00 O ATOM 628 OD2 ASP A 39 10.211 2.606 -1.126 1.00 0.00 O ATOM 0 H ASP A 39 11.444 -0.829 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 39 13.349 0.986 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.382 0.534 0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.108 1.540 1.484 1.00 0.00 H new ATOM 633 N GLY A 40 12.529 -1.565 1.900 1.00 0.00 N ATOM 634 CA GLY A 40 12.775 -2.247 3.157 1.00 0.00 C ATOM 635 C GLY A 40 11.528 -2.904 3.714 1.00 0.00 C ATOM 636 O GLY A 40 10.599 -2.222 4.148 1.00 0.00 O ATOM 0 H GLY A 40 12.126 -2.149 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.546 -3.003 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.162 -1.533 3.884 1.00 0.00 H new ATOM 640 N VAL A 41 11.505 -4.233 3.701 1.00 0.00 N ATOM 641 CA VAL A 41 10.362 -4.983 4.208 1.00 0.00 C ATOM 642 C VAL A 41 10.772 -5.903 5.352 1.00 0.00 C ATOM 643 O VAL A 41 11.538 -6.847 5.159 1.00 0.00 O ATOM 644 CB VAL A 41 9.705 -5.823 3.098 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.844 -6.924 3.700 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.882 -4.937 2.175 1.00 0.00 C ATOM 0 H VAL A 41 12.265 -4.812 3.345 1.00 0.00 H new ATOM 0 HA VAL A 41 9.641 -4.252 4.574 1.00 0.00 H new ATOM 0 HB VAL A 41 10.492 -6.292 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.388 -7.507 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.464 -7.575 4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.062 -6.479 4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.425 -5.548 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.102 -4.438 2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.529 -4.189 1.716 1.00 0.00 H new ATOM 656 N ASN A 42 10.257 -5.622 6.545 1.00 0.00 N ATOM 657 CA ASN A 42 10.570 -6.425 7.721 1.00 0.00 C ATOM 658 C ASN A 42 9.802 -7.744 7.700 1.00 0.00 C ATOM 659 O ASN A 42 8.598 -7.767 7.447 1.00 0.00 O ATOM 660 CB ASN A 42 10.238 -5.649 8.997 1.00 0.00 C ATOM 661 CG ASN A 42 11.121 -6.050 10.163 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.719 -5.200 10.824 1.00 0.00 O ATOM 663 ND2 ASN A 42 11.208 -7.349 10.421 1.00 0.00 N ATOM 0 H ASN A 42 9.621 -4.844 6.722 1.00 0.00 H new ATOM 0 HA ASN A 42 11.637 -6.646 7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.351 -4.581 8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.194 -5.818 9.260 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.788 -7.678 11.193 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.695 -8.018 9.847 1.00 0.00 H new ATOM 670 N GLN A 43 10.508 -8.838 7.967 1.00 0.00 N ATOM 671 CA GLN A 43 9.893 -10.159 7.978 1.00 0.00 C ATOM 672 C GLN A 43 8.507 -10.109 8.613 1.00 0.00 C ATOM 673 O GLN A 43 7.518 -10.520 8.004 1.00 0.00 O ATOM 674 CB GLN A 43 10.778 -11.151 8.736 1.00 0.00 C ATOM 675 CG GLN A 43 10.572 -12.596 8.313 1.00 0.00 C ATOM 676 CD GLN A 43 11.646 -13.521 8.852 1.00 0.00 C ATOM 677 OE1 GLN A 43 12.692 -13.706 8.229 1.00 0.00 O ATOM 678 NE2 GLN A 43 11.393 -14.106 10.016 1.00 0.00 N ATOM 0 H GLN A 43 11.506 -8.835 8.178 1.00 0.00 H new ATOM 0 HA GLN A 43 9.788 -10.492 6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.823 -10.882 8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.578 -11.062 9.804 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.597 -12.937 8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.561 -12.654 7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.513 -13.924 10.498 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.079 -14.738 10.429 1.00 0.00 H new ATOM 687 N LYS A 44 8.441 -9.603 9.839 1.00 0.00 N ATOM 688 CA LYS A 44 7.176 -9.497 10.557 1.00 0.00 C ATOM 689 C LYS A 44 6.127 -8.787 9.709 1.00 0.00 C ATOM 690 O LYS A 44 4.967 -9.199 9.666 1.00 0.00 O ATOM 691 CB LYS A 44 7.376 -8.746 11.875 1.00 0.00 C ATOM 692 CG LYS A 44 8.162 -7.455 11.727 1.00 0.00 C ATOM 693 CD LYS A 44 8.233 -6.691 13.038 1.00 0.00 C ATOM 694 CE LYS A 44 9.411 -7.147 13.885 1.00 0.00 C ATOM 695 NZ LYS A 44 9.343 -6.600 15.269 1.00 0.00 N ATOM 0 H LYS A 44 9.250 -9.259 10.357 1.00 0.00 H new ATOM 0 HA LYS A 44 6.822 -10.506 10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.401 -8.520 12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.893 -9.397 12.580 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.171 -7.680 11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.696 -6.830 10.965 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.321 -5.624 12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.307 -6.834 13.594 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.429 -8.236 13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.341 -6.830 13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.163 -6.933 15.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.351 -5.561 15.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.467 -6.924 15.728 1.00 0.00 H new ATOM 709 N ASP A 45 6.541 -7.720 9.035 1.00 0.00 N ATOM 710 CA ASP A 45 5.636 -6.954 8.185 1.00 0.00 C ATOM 711 C ASP A 45 5.440 -7.645 6.839 1.00 0.00 C ATOM 712 O ASP A 45 4.504 -7.336 6.101 1.00 0.00 O ATOM 713 CB ASP A 45 6.178 -5.540 7.972 1.00 0.00 C ATOM 714 CG ASP A 45 5.849 -4.614 9.127 1.00 0.00 C ATOM 715 OD1 ASP A 45 5.108 -5.041 10.036 1.00 0.00 O ATOM 716 OD2 ASP A 45 6.333 -3.462 9.121 1.00 0.00 O ATOM 0 H ASP A 45 7.497 -7.366 9.060 1.00 0.00 H new ATOM 0 HA ASP A 45 4.670 -6.893 8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.259 -5.584 7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.763 -5.130 7.051 1.00 0.00 H new ATOM 721 N LYS A 46 6.329 -8.581 6.525 1.00 0.00 N ATOM 722 CA LYS A 46 6.254 -9.317 5.268 1.00 0.00 C ATOM 723 C LYS A 46 5.182 -10.400 5.334 1.00 0.00 C ATOM 724 O LYS A 46 4.388 -10.557 4.409 1.00 0.00 O ATOM 725 CB LYS A 46 7.610 -9.946 4.941 1.00 0.00 C ATOM 726 CG LYS A 46 7.516 -11.151 4.021 1.00 0.00 C ATOM 727 CD LYS A 46 8.826 -11.919 3.972 1.00 0.00 C ATOM 728 CE LYS A 46 9.713 -11.436 2.835 1.00 0.00 C ATOM 729 NZ LYS A 46 10.445 -10.190 3.194 1.00 0.00 N ATOM 0 H LYS A 46 7.110 -8.848 7.124 1.00 0.00 H new ATOM 0 HA LYS A 46 5.986 -8.614 4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.247 -9.194 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.095 -10.246 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.719 -11.811 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.248 -10.823 3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.352 -11.804 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.621 -12.982 3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.429 -12.216 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.103 -11.257 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.999 -9.865 2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.763 -9.453 3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.085 -10.381 3.992 1.00 0.00 H new ATOM 743 N ASN A 47 5.166 -11.143 6.436 1.00 0.00 N ATOM 744 CA ASN A 47 4.190 -12.211 6.623 1.00 0.00 C ATOM 745 C ASN A 47 2.794 -11.639 6.845 1.00 0.00 C ATOM 746 O ASN A 47 1.805 -12.178 6.348 1.00 0.00 O ATOM 747 CB ASN A 47 4.588 -13.091 7.810 1.00 0.00 C ATOM 748 CG ASN A 47 3.596 -14.212 8.056 1.00 0.00 C ATOM 749 OD1 ASN A 47 2.525 -13.994 8.622 1.00 0.00 O ATOM 750 ND2 ASN A 47 3.951 -15.419 7.632 1.00 0.00 N ATOM 0 H ASN A 47 5.817 -11.025 7.212 1.00 0.00 H new ATOM 0 HA ASN A 47 4.174 -12.818 5.718 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.575 -13.516 7.629 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.666 -12.475 8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.325 -16.213 7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.849 -15.553 7.168 1.00 0.00 H new ATOM 757 N SER A 48 2.721 -10.544 7.594 1.00 0.00 N ATOM 758 CA SER A 48 1.445 -9.900 7.884 1.00 0.00 C ATOM 759 C SER A 48 0.851 -9.278 6.624 1.00 0.00 C ATOM 760 O SER A 48 -0.366 -9.128 6.506 1.00 0.00 O ATOM 761 CB SER A 48 1.624 -8.827 8.960 1.00 0.00 C ATOM 762 OG SER A 48 1.671 -9.405 10.254 1.00 0.00 O ATOM 0 H SER A 48 3.530 -10.084 8.011 1.00 0.00 H new ATOM 0 HA SER A 48 0.757 -10.662 8.251 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.542 -8.270 8.773 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.802 -8.113 8.907 1.00 0.00 H new ATOM 0 HG SER A 48 1.788 -8.699 10.924 1.00 0.00 H new ATOM 768 N LEU A 49 1.719 -8.917 5.685 1.00 0.00 N ATOM 769 CA LEU A 49 1.282 -8.310 4.433 1.00 0.00 C ATOM 770 C LEU A 49 0.027 -8.997 3.903 1.00 0.00 C ATOM 771 O LEU A 49 -1.006 -8.359 3.706 1.00 0.00 O ATOM 772 CB LEU A 49 2.398 -8.388 3.389 1.00 0.00 C ATOM 773 CG LEU A 49 2.327 -7.366 2.254 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.219 -7.790 1.097 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.891 -7.188 1.785 1.00 0.00 C ATOM 0 H LEU A 49 2.729 -9.034 5.767 1.00 0.00 H new ATOM 0 HA LEU A 49 1.047 -7.264 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.354 -8.269 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.391 -9.387 2.953 1.00 0.00 H new ATOM 0 HG LEU A 49 2.686 -6.408 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.155 -7.051 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.251 -7.865 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.891 -8.759 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.860 -6.457 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.505 -8.142 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.278 -6.837 2.615 1.00 0.00 H new ATOM 787 N GLY A 50 0.124 -10.304 3.678 1.00 0.00 N ATOM 788 CA GLY A 50 -1.011 -11.056 3.176 1.00 0.00 C ATOM 789 C GLY A 50 -2.283 -10.772 3.950 1.00 0.00 C ATOM 790 O GLY A 50 -3.372 -10.740 3.378 1.00 0.00 O ATOM 0 H GLY A 50 0.968 -10.855 3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.167 -10.814 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.788 -12.122 3.228 1.00 0.00 H new ATOM 794 N ALA A 51 -2.146 -10.568 5.256 1.00 0.00 N ATOM 795 CA ALA A 51 -3.293 -10.285 6.110 1.00 0.00 C ATOM 796 C ALA A 51 -3.841 -8.886 5.848 1.00 0.00 C ATOM 797 O ALA A 51 -5.054 -8.681 5.813 1.00 0.00 O ATOM 798 CB ALA A 51 -2.912 -10.439 7.574 1.00 0.00 C ATOM 0 H ALA A 51 -1.252 -10.593 5.746 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.077 -11.004 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.778 -10.225 8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.576 -11.460 7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.108 -9.743 7.816 1.00 0.00 H new ATOM 804 N ILE A 52 -2.939 -7.928 5.664 1.00 0.00 N ATOM 805 CA ILE A 52 -3.333 -6.548 5.405 1.00 0.00 C ATOM 806 C ILE A 52 -4.036 -6.421 4.058 1.00 0.00 C ATOM 807 O ILE A 52 -5.076 -5.770 3.947 1.00 0.00 O ATOM 808 CB ILE A 52 -2.118 -5.602 5.429 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.433 -5.649 6.796 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.547 -4.181 5.094 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.035 -5.073 6.792 1.00 0.00 C ATOM 0 H ILE A 52 -1.931 -8.081 5.689 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.022 -6.262 6.200 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.404 -5.933 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.041 -5.102 7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.390 -6.684 7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.678 -3.524 5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.993 -4.161 4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.278 -3.839 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.389 -5.140 7.794 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.588 -5.635 6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.073 -4.028 6.483 1.00 0.00 H new ATOM 823 N LEU A 53 -3.463 -7.048 3.037 1.00 0.00 N ATOM 824 CA LEU A 53 -4.036 -7.008 1.695 1.00 0.00 C ATOM 825 C LEU A 53 -5.526 -7.331 1.730 1.00 0.00 C ATOM 826 O LEU A 53 -6.312 -6.759 0.975 1.00 0.00 O ATOM 827 CB LEU A 53 -3.309 -7.994 0.779 1.00 0.00 C ATOM 828 CG LEU A 53 -1.987 -7.508 0.184 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.118 -8.689 -0.220 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.241 -6.597 -1.008 1.00 0.00 C ATOM 0 H LEU A 53 -2.602 -7.590 3.112 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.911 -5.999 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.117 -8.908 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.978 -8.259 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.456 -6.936 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.181 -8.324 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.907 -9.302 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.642 -9.288 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.289 -6.261 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.793 -7.144 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.823 -5.733 -0.688 1.00 0.00 H new ATOM 842 N GLN A 54 -5.907 -8.250 2.611 1.00 0.00 N ATOM 843 CA GLN A 54 -7.304 -8.648 2.744 1.00 0.00 C ATOM 844 C GLN A 54 -8.046 -7.717 3.698 1.00 0.00 C ATOM 845 O GLN A 54 -9.276 -7.666 3.697 1.00 0.00 O ATOM 846 CB GLN A 54 -7.399 -10.091 3.243 1.00 0.00 C ATOM 847 CG GLN A 54 -8.775 -10.461 3.773 1.00 0.00 C ATOM 848 CD GLN A 54 -9.082 -11.938 3.619 1.00 0.00 C ATOM 849 OE1 GLN A 54 -8.434 -12.786 4.233 1.00 0.00 O ATOM 850 NE2 GLN A 54 -10.075 -12.253 2.795 1.00 0.00 N ATOM 0 H GLN A 54 -5.269 -8.733 3.243 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.771 -8.579 1.762 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.139 -10.767 2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.662 -10.244 4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.840 -10.188 4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.532 -9.880 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.585 -11.517 2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.327 -13.231 2.651 1.00 0.00 H new ATOM 859 N GLN A 55 -7.291 -6.985 4.509 1.00 0.00 N ATOM 860 CA GLN A 55 -7.878 -6.057 5.469 1.00 0.00 C ATOM 861 C GLN A 55 -8.088 -4.683 4.840 1.00 0.00 C ATOM 862 O GLN A 55 -8.920 -3.900 5.297 1.00 0.00 O ATOM 863 CB GLN A 55 -6.985 -5.934 6.704 1.00 0.00 C ATOM 864 CG GLN A 55 -7.071 -7.131 7.638 1.00 0.00 C ATOM 865 CD GLN A 55 -8.189 -7.001 8.653 1.00 0.00 C ATOM 866 OE1 GLN A 55 -9.311 -6.626 8.313 1.00 0.00 O ATOM 867 NE2 GLN A 55 -7.888 -7.310 9.909 1.00 0.00 N ATOM 0 H GLN A 55 -6.272 -7.016 4.521 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.849 -6.451 5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.951 -5.807 6.383 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.261 -5.034 7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.223 -8.036 7.050 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.122 -7.247 8.162 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.945 -7.617 10.147 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.600 -7.241 10.636 1.00 0.00 H new ATOM 876 N VAL A 56 -7.327 -4.397 3.788 1.00 0.00 N ATOM 877 CA VAL A 56 -7.429 -3.119 3.095 1.00 0.00 C ATOM 878 C VAL A 56 -7.709 -3.319 1.610 1.00 0.00 C ATOM 879 O VAL A 56 -8.228 -2.427 0.940 1.00 0.00 O ATOM 880 CB VAL A 56 -6.142 -2.288 3.256 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.805 -2.105 4.728 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.988 -2.946 2.515 1.00 0.00 C ATOM 0 H VAL A 56 -6.633 -5.034 3.397 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.260 -2.579 3.549 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.309 -1.303 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.893 -1.516 4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.624 -1.588 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.656 -3.080 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.087 -2.346 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.818 -3.944 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.231 -3.020 1.455 1.00 0.00 H new ATOM 892 N ALA A 57 -7.363 -4.497 1.102 1.00 0.00 N ATOM 893 CA ALA A 57 -7.579 -4.816 -0.304 1.00 0.00 C ATOM 894 C ALA A 57 -8.402 -6.091 -0.457 1.00 0.00 C ATOM 895 O ALA A 57 -8.753 -6.736 0.529 1.00 0.00 O ATOM 896 CB ALA A 57 -6.246 -4.956 -1.025 1.00 0.00 C ATOM 0 H ALA A 57 -6.932 -5.246 1.643 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.139 -3.997 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.423 -5.194 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.694 -4.019 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.665 -5.755 -0.564 1.00 0.00 H new ATOM 902 N ASN A 58 -8.706 -6.447 -1.701 1.00 0.00 N ATOM 903 CA ASN A 58 -9.489 -7.645 -1.983 1.00 0.00 C ATOM 904 C ASN A 58 -8.816 -8.495 -3.056 1.00 0.00 C ATOM 905 O ASN A 58 -8.452 -7.995 -4.122 1.00 0.00 O ATOM 906 CB ASN A 58 -10.901 -7.262 -2.431 1.00 0.00 C ATOM 907 CG ASN A 58 -11.746 -6.732 -1.288 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.889 -7.383 -0.253 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.312 -5.545 -1.472 1.00 0.00 N ATOM 0 H ASN A 58 -8.422 -5.924 -2.529 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.552 -8.232 -1.067 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.838 -6.506 -3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.390 -8.133 -2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.893 -5.138 -0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.166 -5.040 -2.346 1.00 0.00 H new ATOM 916 N LEU A 59 -8.653 -9.781 -2.769 1.00 0.00 N ATOM 917 CA LEU A 59 -8.024 -10.702 -3.710 1.00 0.00 C ATOM 918 C LEU A 59 -9.004 -11.117 -4.803 1.00 0.00 C ATOM 919 O LEU A 59 -10.149 -11.467 -4.523 1.00 0.00 O ATOM 920 CB LEU A 59 -7.508 -11.940 -2.974 1.00 0.00 C ATOM 921 CG LEU A 59 -6.277 -12.615 -3.579 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.726 -13.669 -2.630 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.616 -13.234 -4.927 1.00 0.00 C ATOM 0 H LEU A 59 -8.948 -10.211 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.184 -10.188 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.275 -11.657 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.314 -12.673 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.509 -11.857 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.850 -14.139 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.444 -13.199 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.488 -14.425 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.728 -13.710 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.400 -13.980 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.963 -12.456 -5.607 1.00 0.00 H new ATOM 935 N ASN A 60 -8.543 -11.077 -6.049 1.00 0.00 N ATOM 936 CA ASN A 60 -9.378 -11.451 -7.185 1.00 0.00 C ATOM 937 C ASN A 60 -8.863 -12.728 -7.842 1.00 0.00 C ATOM 938 O ASN A 60 -8.003 -12.682 -8.721 1.00 0.00 O ATOM 939 CB ASN A 60 -9.418 -10.316 -8.210 1.00 0.00 C ATOM 940 CG ASN A 60 -10.708 -10.301 -9.006 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.357 -11.333 -9.177 1.00 0.00 O ATOM 942 ND2 ASN A 60 -11.087 -9.127 -9.498 1.00 0.00 N ATOM 0 H ASN A 60 -7.596 -10.790 -6.298 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.387 -11.635 -6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.300 -9.362 -7.696 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.574 -10.417 -8.893 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.947 -9.056 -10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.518 -8.297 -9.332 1.00 0.00 H new ATOM 949 N SER A 61 -9.396 -13.866 -7.409 1.00 0.00 N ATOM 950 CA SER A 61 -8.989 -15.156 -7.952 1.00 0.00 C ATOM 951 C SER A 61 -8.713 -15.052 -9.450 1.00 0.00 C ATOM 952 O SER A 61 -7.846 -15.745 -9.983 1.00 0.00 O ATOM 953 CB SER A 61 -10.069 -16.207 -7.693 1.00 0.00 C ATOM 954 OG SER A 61 -10.245 -16.426 -6.304 1.00 0.00 O ATOM 0 H SER A 61 -10.111 -13.921 -6.683 1.00 0.00 H new ATOM 0 HA SER A 61 -8.070 -15.459 -7.450 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.011 -15.882 -8.135 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.794 -17.143 -8.180 1.00 0.00 H new ATOM 0 HG SER A 61 -10.942 -17.101 -6.165 1.00 0.00 H new ATOM 960 N LYS A 62 -9.458 -14.182 -10.123 1.00 0.00 N ATOM 961 CA LYS A 62 -9.296 -13.985 -11.558 1.00 0.00 C ATOM 962 C LYS A 62 -7.820 -13.959 -11.940 1.00 0.00 C ATOM 963 O LYS A 62 -7.320 -14.882 -12.585 1.00 0.00 O ATOM 964 CB LYS A 62 -9.969 -12.681 -11.994 1.00 0.00 C ATOM 965 CG LYS A 62 -10.404 -12.677 -13.449 1.00 0.00 C ATOM 966 CD LYS A 62 -11.560 -13.634 -13.688 1.00 0.00 C ATOM 967 CE LYS A 62 -12.007 -13.616 -15.142 1.00 0.00 C ATOM 968 NZ LYS A 62 -12.677 -14.888 -15.531 1.00 0.00 N ATOM 0 H LYS A 62 -10.181 -13.602 -9.697 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.772 -14.821 -12.070 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.840 -12.503 -11.363 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.280 -11.853 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.699 -11.669 -13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.562 -12.957 -14.082 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.260 -14.645 -13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.397 -13.362 -13.045 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.690 -12.782 -15.302 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.143 -13.449 -15.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.967 -14.837 -16.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.017 -15.681 -15.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.516 -15.035 -14.934 1.00 0.00 H new ATOM 982 N ASP A 63 -7.127 -12.899 -11.538 1.00 0.00 N ATOM 983 CA ASP A 63 -5.707 -12.756 -11.837 1.00 0.00 C ATOM 984 C ASP A 63 -4.874 -12.820 -10.560 1.00 0.00 C ATOM 985 O ASP A 63 -3.704 -12.437 -10.550 1.00 0.00 O ATOM 986 CB ASP A 63 -5.448 -11.435 -12.564 1.00 0.00 C ATOM 987 CG ASP A 63 -6.005 -11.431 -13.974 1.00 0.00 C ATOM 988 OD1 ASP A 63 -7.241 -11.345 -14.122 1.00 0.00 O ATOM 989 OD2 ASP A 63 -5.204 -11.515 -14.928 1.00 0.00 O ATOM 0 H ASP A 63 -7.526 -12.126 -11.004 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.412 -13.582 -12.484 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.895 -10.618 -11.998 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.375 -11.248 -12.600 1.00 0.00 H new ATOM 994 N LEU A 64 -5.485 -13.306 -9.486 1.00 0.00 N ATOM 995 CA LEU A 64 -4.801 -13.420 -8.202 1.00 0.00 C ATOM 996 C LEU A 64 -4.143 -12.099 -7.817 1.00 0.00 C ATOM 997 O LEU A 64 -3.042 -12.080 -7.266 1.00 0.00 O ATOM 998 CB LEU A 64 -3.749 -14.530 -8.260 1.00 0.00 C ATOM 999 CG LEU A 64 -4.240 -15.938 -7.923 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.271 -16.982 -8.456 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.422 -16.094 -6.420 1.00 0.00 C ATOM 0 H LEU A 64 -6.453 -13.628 -9.478 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.542 -13.670 -7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.322 -14.546 -9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.942 -14.274 -7.574 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.207 -16.090 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.636 -17.978 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.191 -16.885 -9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.290 -16.832 -8.005 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.772 -17.102 -6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.470 -15.922 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.155 -15.370 -6.065 1.00 0.00 H new ATOM 1013 N SER A 65 -4.825 -10.997 -8.109 1.00 0.00 N ATOM 1014 CA SER A 65 -4.306 -9.671 -7.795 1.00 0.00 C ATOM 1015 C SER A 65 -5.139 -9.007 -6.702 1.00 0.00 C ATOM 1016 O SER A 65 -6.368 -9.079 -6.712 1.00 0.00 O ATOM 1017 CB SER A 65 -4.297 -8.793 -9.048 1.00 0.00 C ATOM 1018 OG SER A 65 -5.608 -8.386 -9.396 1.00 0.00 O ATOM 0 H SER A 65 -5.739 -10.996 -8.563 1.00 0.00 H new ATOM 0 HA SER A 65 -3.284 -9.785 -7.432 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.674 -7.915 -8.876 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.851 -9.342 -9.877 1.00 0.00 H new ATOM 0 HG SER A 65 -5.574 -7.825 -10.199 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.460 -8.361 -5.760 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.135 -7.686 -4.658 1.00 0.00 C ATOM 1026 C TYR A 66 -5.503 -6.255 -5.039 1.00 0.00 C ATOM 1027 O TYR A 66 -4.636 -5.441 -5.357 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.246 -7.681 -3.414 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.216 -9.006 -2.686 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.227 -9.357 -1.799 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.178 -9.908 -2.885 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -5.204 -10.566 -1.131 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -3.147 -11.120 -2.223 1.00 0.00 C ATOM 1034 CZ TYR A 66 -4.162 -11.444 -1.347 1.00 0.00 C ATOM 1035 OH TYR A 66 -4.135 -12.650 -0.684 1.00 0.00 O ATOM 0 H TYR A 66 -3.443 -8.291 -5.738 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.052 -8.232 -4.439 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.230 -7.413 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.597 -6.908 -2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -6.045 -8.672 -1.629 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.381 -9.657 -3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.997 -10.822 -0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.333 -11.810 -2.390 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.335 -13.151 -0.949 1.00 0.00 H new ATOM 1045 N THR A 67 -6.798 -5.955 -5.004 1.00 0.00 N ATOM 1046 CA THR A 67 -7.283 -4.624 -5.346 1.00 0.00 C ATOM 1047 C THR A 67 -7.616 -3.822 -4.093 1.00 0.00 C ATOM 1048 O THR A 67 -8.395 -4.264 -3.249 1.00 0.00 O ATOM 1049 CB THR A 67 -8.533 -4.695 -6.243 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.632 -5.248 -5.510 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.265 -5.540 -7.479 1.00 0.00 C ATOM 0 H THR A 67 -7.529 -6.616 -4.742 1.00 0.00 H new ATOM 0 HA THR A 67 -6.481 -4.126 -5.891 1.00 0.00 H new ATOM 0 HB THR A 67 -8.782 -3.683 -6.561 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.465 -5.153 -4.549 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.162 -5.575 -8.097 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.448 -5.100 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.993 -6.551 -7.176 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.021 -2.639 -3.979 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.255 -1.773 -2.828 1.00 0.00 C ATOM 1061 C LEU A 68 -8.741 -1.467 -2.671 1.00 0.00 C ATOM 1062 O LEU A 68 -9.402 -1.039 -3.618 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.466 -0.471 -2.977 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.010 0.189 -1.675 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -5.873 1.693 -1.858 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -6.982 -0.126 -0.547 1.00 0.00 C ATOM 0 H LEU A 68 -6.374 -2.258 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.915 -2.296 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.586 -0.671 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.080 0.242 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.033 -0.215 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.548 2.145 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.137 1.899 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.836 2.113 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.641 0.352 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.973 0.249 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.030 -1.205 -0.398 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.260 -1.685 -1.468 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.667 -1.429 -1.183 1.00 0.00 C ATOM 1080 C LYS A 69 -11.065 -0.025 -1.627 1.00 0.00 C ATOM 1081 O LYS A 69 -10.250 0.718 -2.174 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.946 -1.601 0.312 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.055 -3.052 0.747 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.853 -3.202 2.246 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.468 -4.626 2.617 1.00 0.00 C ATOM 1086 NZ LYS A 69 -10.937 -4.988 3.983 1.00 0.00 N ATOM 0 H LYS A 69 -8.727 -2.039 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.262 -2.151 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.150 -1.119 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.873 -1.085 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.034 -3.443 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.312 -3.648 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.075 -2.515 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.769 -2.924 2.767 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.894 -5.318 1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.385 -4.735 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.685 -5.976 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.484 -4.365 4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.970 -4.876 4.037 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.322 0.332 -1.387 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.827 1.648 -1.760 1.00 0.00 C ATOM 1102 C ASP A 70 -12.794 2.601 -0.568 1.00 0.00 C ATOM 1103 O ASP A 70 -12.462 3.778 -0.711 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.254 1.536 -2.299 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.217 0.967 -1.275 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -15.342 -0.274 -1.206 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.845 1.761 -0.544 1.00 0.00 O ATOM 0 H ASP A 70 -13.010 -0.271 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.182 2.049 -2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.600 2.522 -2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.256 0.903 -3.186 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.139 2.084 0.605 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.152 2.889 1.821 1.00 0.00 C ATOM 1114 C TYR A 71 -11.737 3.302 2.216 1.00 0.00 C ATOM 1115 O TYR A 71 -11.498 4.444 2.609 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.807 2.113 2.965 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.819 1.374 3.839 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.334 0.125 3.470 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.371 1.924 5.033 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.432 -0.554 4.265 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.468 1.252 5.834 1.00 0.00 C ATOM 1122 CZ TYR A 71 -11.002 0.013 5.446 1.00 0.00 C ATOM 1123 OH TYR A 71 -10.103 -0.659 6.242 1.00 0.00 O ATOM 0 H TYR A 71 -13.414 1.111 0.740 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.732 3.790 1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.378 2.806 3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.517 1.398 2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.668 -0.322 2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.735 2.893 5.340 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.065 -1.524 3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.129 1.694 6.759 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.903 -0.121 7.036 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.802 2.363 2.107 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.410 2.628 2.451 1.00 0.00 C ATOM 1135 C VAL A 72 -8.899 3.881 1.748 1.00 0.00 C ATOM 1136 O VAL A 72 -8.058 4.605 2.281 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.504 1.439 2.079 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.041 1.793 2.297 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -8.889 0.205 2.882 1.00 0.00 C ATOM 0 H VAL A 72 -10.983 1.413 1.783 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.374 2.780 3.530 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.644 1.215 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.417 0.941 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.777 2.647 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.880 2.045 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.239 -0.626 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.779 0.414 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.925 -0.059 2.669 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.414 4.132 0.549 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.010 5.298 -0.228 1.00 0.00 C ATOM 1151 C PHE A 73 -9.066 6.564 0.623 1.00 0.00 C ATOM 1152 O PHE A 73 -8.278 7.490 0.431 1.00 0.00 O ATOM 1153 CB PHE A 73 -9.908 5.455 -1.456 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.633 4.445 -2.533 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.335 4.183 -2.940 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.672 3.758 -3.139 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.077 3.254 -3.931 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.421 2.827 -4.130 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.123 2.576 -4.527 1.00 0.00 C ATOM 0 H PHE A 73 -10.112 3.544 0.094 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.982 5.147 -0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.950 5.371 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.777 6.456 -1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.514 4.711 -2.477 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.690 3.952 -2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.060 3.059 -4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.240 2.297 -4.593 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.925 1.851 -5.302 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.004 6.597 1.563 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.165 7.747 2.444 1.00 0.00 C ATOM 1171 C LYS A 74 -9.054 7.792 3.488 1.00 0.00 C ATOM 1172 O LYS A 74 -8.687 8.863 3.971 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.529 7.698 3.137 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.524 6.908 4.434 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.906 6.861 5.063 1.00 0.00 C ATOM 1176 CE LYS A 74 -12.860 6.277 6.467 1.00 0.00 C ATOM 1177 NZ LYS A 74 -13.948 6.817 7.328 1.00 0.00 N ATOM 0 H LYS A 74 -10.665 5.839 1.734 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.105 8.650 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.859 8.716 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.258 7.258 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.176 5.893 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.820 7.359 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.325 7.867 5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.570 6.262 4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.945 5.192 6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.894 6.498 6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.882 6.395 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.852 7.850 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.871 6.584 6.908 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.522 6.623 3.831 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.452 6.531 4.818 1.00 0.00 C ATOM 1193 C GLU A 75 -6.120 6.972 4.219 1.00 0.00 C ATOM 1194 O GLU A 75 -5.216 7.403 4.936 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.337 5.099 5.346 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.608 4.589 6.004 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.336 3.534 7.059 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.770 3.884 8.116 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.690 2.359 6.827 1.00 0.00 O ATOM 0 H GLU A 75 -8.814 5.727 3.440 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.697 7.197 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.074 4.437 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.520 5.051 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.137 5.426 6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.266 4.173 5.241 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.006 6.861 2.900 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.784 7.248 2.203 1.00 0.00 C ATOM 1208 C LEU A 76 -4.303 8.618 2.667 1.00 0.00 C ATOM 1209 O LEU A 76 -4.992 9.306 3.420 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.019 7.262 0.691 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.131 5.895 0.016 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.581 6.048 -1.429 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.804 5.154 0.087 1.00 0.00 C ATOM 0 H LEU A 76 -6.744 6.506 2.292 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.013 6.514 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.934 7.820 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.202 7.811 0.222 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.880 5.309 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.655 5.065 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.555 6.537 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.856 6.653 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.903 4.183 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.035 5.736 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.523 5.011 1.130 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.117 9.009 2.212 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.544 10.298 2.580 1.00 0.00 C ATOM 1227 C GLN A 77 -2.220 11.124 1.340 1.00 0.00 C ATOM 1228 O GLN A 77 -1.150 10.979 0.748 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.281 10.099 3.420 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.461 9.115 4.565 1.00 0.00 C ATOM 1231 CD GLN A 77 -2.018 9.770 5.814 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -2.484 10.909 5.777 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -1.972 9.051 6.930 1.00 0.00 N ATOM 0 H GLN A 77 -2.534 8.451 1.588 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.283 10.839 3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.476 9.748 2.774 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.968 11.062 3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.130 8.315 4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.501 8.655 4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.577 8.111 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.332 9.439 7.802 1.00 0.00 H new ATOM 1242 N ARG A 78 -3.150 11.991 0.952 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.963 12.839 -0.219 1.00 0.00 C ATOM 1244 C ARG A 78 -1.543 13.395 -0.266 1.00 0.00 C ATOM 1245 O ARG A 78 -1.040 13.751 -1.332 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.973 13.988 -0.210 1.00 0.00 C ATOM 1247 CG ARG A 78 -5.335 13.606 -0.767 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.408 13.837 -2.268 1.00 0.00 C ATOM 1249 NE ARG A 78 -5.182 15.237 -2.618 1.00 0.00 N ATOM 1250 CZ ARG A 78 -5.324 15.719 -3.848 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -5.690 14.918 -4.839 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -5.101 17.005 -4.087 1.00 0.00 N ATOM 0 H ARG A 78 -4.040 12.124 1.432 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.125 12.229 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.095 14.345 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.572 14.818 -0.792 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.537 12.557 -0.549 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.109 14.190 -0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.666 13.214 -2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.385 13.525 -2.636 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.900 15.880 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.863 13.929 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.798 15.291 -5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.820 17.624 -3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.210 17.375 -5.031 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.903 13.468 0.895 1.00 0.00 N ATOM 1267 CA ASP A 79 0.459 13.981 0.987 1.00 0.00 C ATOM 1268 C ASP A 79 1.459 12.841 1.148 1.00 0.00 C ATOM 1269 O ASP A 79 2.462 12.976 1.849 1.00 0.00 O ATOM 1270 CB ASP A 79 0.582 14.954 2.161 1.00 0.00 C ATOM 1271 CG ASP A 79 -0.484 16.031 2.135 1.00 0.00 C ATOM 1272 OD1 ASP A 79 -1.664 15.704 2.381 1.00 0.00 O ATOM 1273 OD2 ASP A 79 -0.139 17.202 1.867 1.00 0.00 O ATOM 0 H ASP A 79 -1.305 13.178 1.786 1.00 0.00 H new ATOM 0 HA ASP A 79 0.685 14.510 0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.512 14.400 3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.567 15.421 2.140 1.00 0.00 H new ATOM 1278 N TRP A 80 1.179 11.719 0.495 1.00 0.00 N ATOM 1279 CA TRP A 80 2.055 10.555 0.567 1.00 0.00 C ATOM 1280 C TRP A 80 3.368 10.815 -0.163 1.00 0.00 C ATOM 1281 O TRP A 80 3.389 11.217 -1.327 1.00 0.00 O ATOM 1282 CB TRP A 80 1.359 9.330 -0.030 1.00 0.00 C ATOM 1283 CG TRP A 80 2.172 8.076 0.073 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.714 7.364 -0.959 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.532 7.384 1.274 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.391 6.271 -0.471 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.294 6.262 0.895 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.287 7.605 2.631 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.811 5.365 1.826 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.800 6.714 3.554 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.555 5.605 3.149 1.00 0.00 C ATOM 0 H TRP A 80 0.353 11.590 -0.090 1.00 0.00 H new ATOM 0 HA TRP A 80 2.277 10.363 1.617 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.406 9.179 0.477 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.135 9.524 -1.079 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.624 7.621 -2.004 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.885 5.579 -1.035 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.707 8.457 2.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.393 4.510 1.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.616 6.875 4.606 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.942 4.927 3.895 1.00 0.00 H new ATOM 1302 N PRO A 81 4.490 10.581 0.533 1.00 0.00 N ATOM 1303 CA PRO A 81 5.828 10.782 -0.031 1.00 0.00 C ATOM 1304 C PRO A 81 6.165 9.756 -1.107 1.00 0.00 C ATOM 1305 O PRO A 81 7.211 9.835 -1.748 1.00 0.00 O ATOM 1306 CB PRO A 81 6.751 10.613 1.178 1.00 0.00 C ATOM 1307 CG PRO A 81 5.987 9.747 2.120 1.00 0.00 C ATOM 1308 CD PRO A 81 4.539 10.100 1.924 1.00 0.00 C ATOM 0 HA PRO A 81 5.921 11.750 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.696 10.151 0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.991 11.575 1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.163 8.692 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.296 9.923 3.150 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.891 9.236 2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.214 10.868 2.626 1.00 0.00 H new ATOM 1316 N GLY A 82 5.269 8.791 -1.299 1.00 0.00 N ATOM 1317 CA GLY A 82 5.490 7.763 -2.299 1.00 0.00 C ATOM 1318 C GLY A 82 5.045 8.194 -3.682 1.00 0.00 C ATOM 1319 O GLY A 82 5.424 7.584 -4.682 1.00 0.00 O ATOM 0 H GLY A 82 4.395 8.704 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.549 7.507 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.951 6.860 -2.012 1.00 0.00 H new ATOM 1323 N TYR A 83 4.237 9.247 -3.741 1.00 0.00 N ATOM 1324 CA TYR A 83 3.736 9.756 -5.012 1.00 0.00 C ATOM 1325 C TYR A 83 4.610 10.897 -5.524 1.00 0.00 C ATOM 1326 O TYR A 83 4.757 11.926 -4.865 1.00 0.00 O ATOM 1327 CB TYR A 83 2.291 10.235 -4.859 1.00 0.00 C ATOM 1328 CG TYR A 83 1.366 9.190 -4.278 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.432 7.866 -4.694 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.424 9.527 -3.313 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.588 6.908 -4.166 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.423 8.576 -2.779 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.338 7.268 -3.208 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.181 6.317 -2.680 1.00 0.00 O ATOM 0 H TYR A 83 3.915 9.765 -2.923 1.00 0.00 H new ATOM 0 HA TYR A 83 3.768 8.944 -5.738 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.275 11.118 -4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 83 1.913 10.541 -5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.156 7.581 -5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.353 10.550 -2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.652 5.883 -4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.148 8.855 -2.029 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.826 5.424 -2.869 1.00 0.00 H new ATOM 1344 N SER A 84 5.188 10.705 -6.706 1.00 0.00 N ATOM 1345 CA SER A 84 6.051 11.716 -7.307 1.00 0.00 C ATOM 1346 C SER A 84 5.223 12.793 -8.002 1.00 0.00 C ATOM 1347 O SER A 84 3.993 12.750 -7.989 1.00 0.00 O ATOM 1348 CB SER A 84 7.010 11.068 -8.307 1.00 0.00 C ATOM 1349 OG SER A 84 8.022 10.333 -7.641 1.00 0.00 O ATOM 0 H SER A 84 5.075 9.860 -7.266 1.00 0.00 H new ATOM 0 HA SER A 84 6.630 12.185 -6.511 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.454 10.407 -8.972 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.466 11.838 -8.930 1.00 0.00 H new ATOM 0 HG SER A 84 8.621 9.927 -8.302 1.00 0.00 H new ATOM 1355 N GLU A 85 5.908 13.757 -8.610 1.00 0.00 N ATOM 1356 CA GLU A 85 5.236 14.845 -9.310 1.00 0.00 C ATOM 1357 C GLU A 85 4.120 14.311 -10.203 1.00 0.00 C ATOM 1358 O GLU A 85 3.167 15.024 -10.516 1.00 0.00 O ATOM 1359 CB GLU A 85 6.241 15.638 -10.149 1.00 0.00 C ATOM 1360 CG GLU A 85 5.590 16.578 -11.150 1.00 0.00 C ATOM 1361 CD GLU A 85 6.602 17.289 -12.026 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.588 17.826 -11.479 1.00 0.00 O ATOM 1363 OE2 GLU A 85 6.409 17.308 -13.260 1.00 0.00 O ATOM 0 H GLU A 85 6.927 13.806 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 85 4.795 15.506 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.881 16.217 -9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.885 14.940 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.903 16.013 -11.780 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.995 17.318 -10.614 1.00 0.00 H new ATOM 1370 N ILE A 86 4.247 13.052 -10.609 1.00 0.00 N ATOM 1371 CA ILE A 86 3.250 12.422 -11.465 1.00 0.00 C ATOM 1372 C ILE A 86 2.230 11.644 -10.641 1.00 0.00 C ATOM 1373 O ILE A 86 1.048 11.989 -10.610 1.00 0.00 O ATOM 1374 CB ILE A 86 3.903 11.470 -12.484 1.00 0.00 C ATOM 1375 CG1 ILE A 86 5.209 12.069 -13.010 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.946 11.184 -13.631 1.00 0.00 C ATOM 1377 CD1 ILE A 86 5.071 13.499 -13.483 1.00 0.00 C ATOM 0 H ILE A 86 5.030 12.449 -10.359 1.00 0.00 H new ATOM 0 HA ILE A 86 2.744 13.224 -12.002 1.00 0.00 H new ATOM 0 HB ILE A 86 4.132 10.529 -11.984 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.962 12.026 -12.223 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.574 11.456 -13.834 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.422 10.510 -14.343 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.040 10.720 -13.242 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.689 12.117 -14.132 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.035 13.858 -13.842 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.342 13.546 -14.292 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.736 14.125 -12.656 1.00 0.00 H new ATOM 1389 N ASP A 87 2.695 10.594 -9.972 1.00 0.00 N ATOM 1390 CA ASP A 87 1.824 9.768 -9.144 1.00 0.00 C ATOM 1391 C ASP A 87 0.737 10.613 -8.488 1.00 0.00 C ATOM 1392 O ASP A 87 -0.454 10.351 -8.658 1.00 0.00 O ATOM 1393 CB ASP A 87 2.641 9.044 -8.073 1.00 0.00 C ATOM 1394 CG ASP A 87 3.728 8.169 -8.666 1.00 0.00 C ATOM 1395 OD1 ASP A 87 4.704 8.724 -9.211 1.00 0.00 O ATOM 1396 OD2 ASP A 87 3.601 6.929 -8.586 1.00 0.00 O ATOM 0 H ASP A 87 3.670 10.295 -9.987 1.00 0.00 H new ATOM 0 HA ASP A 87 1.346 9.029 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.093 9.779 -7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.976 8.430 -7.466 1.00 0.00 H new ATOM 1401 N ARG A 88 1.155 11.627 -7.737 1.00 0.00 N ATOM 1402 CA ARG A 88 0.217 12.509 -7.053 1.00 0.00 C ATOM 1403 C ARG A 88 -0.944 12.883 -7.970 1.00 0.00 C ATOM 1404 O ARG A 88 -2.110 12.689 -7.624 1.00 0.00 O ATOM 1405 CB ARG A 88 0.930 13.774 -6.573 1.00 0.00 C ATOM 1406 CG ARG A 88 2.022 13.506 -5.550 1.00 0.00 C ATOM 1407 CD ARG A 88 2.718 14.791 -5.128 1.00 0.00 C ATOM 1408 NE ARG A 88 1.895 15.586 -4.221 1.00 0.00 N ATOM 1409 CZ ARG A 88 2.287 16.742 -3.696 1.00 0.00 C ATOM 1410 NH1 ARG A 88 3.483 17.234 -3.987 1.00 0.00 N ATOM 1411 NH2 ARG A 88 1.482 17.407 -2.877 1.00 0.00 N ATOM 0 H ARG A 88 2.137 11.858 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.181 11.976 -6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.366 14.284 -7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.196 14.452 -6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.591 13.020 -4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.754 12.816 -5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.663 14.549 -4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.957 15.381 -6.013 1.00 0.00 H new ATOM 0 HE ARG A 88 0.969 15.235 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.105 16.725 -4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.781 18.122 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.561 17.031 -2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.784 18.294 -2.474 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.617 13.422 -9.140 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.632 13.826 -10.106 1.00 0.00 C ATOM 1427 C ARG A 89 -2.324 12.607 -10.709 1.00 0.00 C ATOM 1428 O ARG A 89 -3.421 12.711 -11.257 1.00 0.00 O ATOM 1429 CB ARG A 89 -1.003 14.669 -11.216 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.183 13.859 -12.207 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.181 14.502 -13.585 1.00 0.00 C ATOM 1432 NE ARG A 89 0.507 15.790 -13.587 1.00 0.00 N ATOM 1433 CZ ARG A 89 0.434 16.661 -14.587 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -0.294 16.383 -15.660 1.00 0.00 N ATOM 1435 NH2 ARG A 89 1.089 17.813 -14.515 1.00 0.00 N ATOM 0 H ARG A 89 0.343 13.589 -9.442 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.378 14.424 -9.583 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.793 15.193 -11.754 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.365 15.429 -10.766 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.841 13.768 -11.845 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.587 12.849 -12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.302 13.832 -14.297 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.208 14.639 -13.922 1.00 0.00 H new ATOM 0 HE ARG A 89 1.075 16.034 -12.776 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.799 15.499 -15.718 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.349 17.053 -16.427 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.649 18.030 -13.691 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.032 18.481 -15.284 1.00 0.00 H new ATOM 1449 N SER A 90 -1.675 11.452 -10.604 1.00 0.00 N ATOM 1450 CA SER A 90 -2.225 10.214 -11.142 1.00 0.00 C ATOM 1451 C SER A 90 -3.123 9.527 -10.117 1.00 0.00 C ATOM 1452 O SER A 90 -3.934 8.667 -10.462 1.00 0.00 O ATOM 1453 CB SER A 90 -1.098 9.270 -11.563 1.00 0.00 C ATOM 1454 OG SER A 90 -0.703 9.512 -12.903 1.00 0.00 O ATOM 0 H SER A 90 -0.767 11.348 -10.151 1.00 0.00 H new ATOM 0 HA SER A 90 -2.826 10.463 -12.017 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.243 9.401 -10.899 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.427 8.236 -11.459 1.00 0.00 H new ATOM 0 HG SER A 90 0.020 8.897 -13.147 1.00 0.00 H new ATOM 1460 N LEU A 91 -2.971 9.913 -8.855 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.767 9.335 -7.777 1.00 0.00 C ATOM 1462 C LEU A 91 -5.029 10.155 -7.534 1.00 0.00 C ATOM 1463 O LEU A 91 -6.104 9.602 -7.304 1.00 0.00 O ATOM 1464 CB LEU A 91 -2.940 9.256 -6.493 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.722 9.374 -5.183 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.031 8.592 -4.077 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.882 10.834 -4.787 1.00 0.00 C ATOM 0 H LEU A 91 -2.304 10.623 -8.553 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.062 8.329 -8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.403 8.308 -6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.190 10.047 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.714 8.949 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.601 8.687 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.969 7.541 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.026 8.986 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.441 10.899 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.899 11.285 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.422 11.366 -5.570 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.891 11.476 -7.587 1.00 0.00 N ATOM 1480 CA GLU A 92 -6.022 12.371 -7.374 1.00 0.00 C ATOM 1481 C GLU A 92 -7.251 11.888 -8.139 1.00 0.00 C ATOM 1482 O GLU A 92 -8.385 12.113 -7.718 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.664 13.794 -7.808 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.234 13.896 -9.262 1.00 0.00 C ATOM 1485 CD GLU A 92 -5.197 15.328 -9.760 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -6.263 15.850 -10.147 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -4.101 15.927 -9.762 1.00 0.00 O ATOM 0 H GLU A 92 -4.008 11.950 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.256 12.371 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.525 14.442 -7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.861 14.167 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.246 13.450 -9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.919 13.317 -9.881 1.00 0.00 H new ATOM 1494 N SER A 93 -7.015 11.223 -9.266 1.00 0.00 N ATOM 1495 CA SER A 93 -8.102 10.712 -10.093 1.00 0.00 C ATOM 1496 C SER A 93 -8.884 9.630 -9.354 1.00 0.00 C ATOM 1497 O SER A 93 -10.071 9.789 -9.071 1.00 0.00 O ATOM 1498 CB SER A 93 -7.552 10.153 -11.406 1.00 0.00 C ATOM 1499 OG SER A 93 -8.602 9.803 -12.291 1.00 0.00 O ATOM 0 H SER A 93 -6.082 11.026 -9.627 1.00 0.00 H new ATOM 0 HA SER A 93 -8.778 11.538 -10.313 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.906 10.893 -11.878 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.937 9.277 -11.202 1.00 0.00 H new ATOM 0 HG SER A 93 -8.224 9.450 -13.123 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.208 8.528 -9.044 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.837 7.419 -8.337 1.00 0.00 C ATOM 1507 C VAL A 94 -9.750 7.923 -7.225 1.00 0.00 C ATOM 1508 O VAL A 94 -10.951 7.649 -7.220 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.786 6.469 -7.733 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.438 5.500 -6.759 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -7.051 5.718 -8.833 1.00 0.00 C ATOM 0 H VAL A 94 -7.225 8.380 -9.271 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.430 6.873 -9.070 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.058 7.065 -7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.680 4.837 -6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.913 6.059 -5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.189 4.908 -7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.312 5.052 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.764 5.133 -9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.549 6.431 -9.487 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.174 8.662 -6.284 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.935 9.206 -5.165 1.00 0.00 C ATOM 1523 C LEU A 95 -11.126 10.020 -5.661 1.00 0.00 C ATOM 1524 O LEU A 95 -12.186 10.033 -5.035 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.036 10.078 -4.287 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.730 9.437 -3.817 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.863 10.458 -3.097 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.016 8.246 -2.913 1.00 0.00 C ATOM 0 H LEU A 95 -8.182 8.899 -6.273 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.311 8.371 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.793 10.986 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.605 10.382 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.186 9.082 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.938 9.984 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.630 11.279 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.399 10.844 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.075 7.802 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.581 8.578 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.597 7.504 -3.461 1.00 0.00 H new ATOM 1540 N SER A 96 -10.944 10.696 -6.791 1.00 0.00 N ATOM 1541 CA SER A 96 -12.003 11.514 -7.371 1.00 0.00 C ATOM 1542 C SER A 96 -13.134 10.640 -7.905 1.00 0.00 C ATOM 1543 O SER A 96 -14.310 10.977 -7.770 1.00 0.00 O ATOM 1544 CB SER A 96 -11.443 12.387 -8.496 1.00 0.00 C ATOM 1545 OG SER A 96 -12.338 13.437 -8.819 1.00 0.00 O ATOM 0 H SER A 96 -10.074 10.693 -7.323 1.00 0.00 H new ATOM 0 HA SER A 96 -12.403 12.156 -6.587 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.482 12.804 -8.194 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.261 11.775 -9.379 1.00 0.00 H new ATOM 0 HG SER A 96 -11.957 13.982 -9.539 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.769 9.515 -8.511 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.752 8.593 -9.066 1.00 0.00 C ATOM 1553 C ARG A 97 -14.457 7.817 -7.957 1.00 0.00 C ATOM 1554 O ARG A 97 -15.667 7.597 -8.011 1.00 0.00 O ATOM 1555 CB ARG A 97 -13.078 7.619 -10.035 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.125 8.291 -11.009 1.00 0.00 C ATOM 1557 CD ARG A 97 -12.004 7.503 -12.304 1.00 0.00 C ATOM 1558 NE ARG A 97 -13.172 7.678 -13.163 1.00 0.00 N ATOM 1559 CZ ARG A 97 -13.324 7.065 -14.331 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -12.387 6.240 -14.778 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -14.416 7.276 -15.056 1.00 0.00 N ATOM 0 H ARG A 97 -11.800 9.220 -8.630 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.497 9.177 -9.607 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.531 6.870 -9.462 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.847 7.090 -10.598 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.477 9.299 -11.227 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.142 8.389 -10.548 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.109 7.821 -12.839 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.879 6.445 -12.074 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.912 8.306 -12.848 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.547 6.075 -14.224 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.507 5.771 -15.676 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.139 7.910 -14.716 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.532 6.805 -15.953 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.692 7.405 -6.952 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.241 6.655 -5.829 1.00 0.00 C ATOM 1577 C LYS A 98 -15.060 7.563 -4.917 1.00 0.00 C ATOM 1578 O LYS A 98 -16.262 7.363 -4.742 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.116 5.993 -5.032 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.229 5.086 -5.868 1.00 0.00 C ATOM 1581 CD LYS A 98 -12.943 3.798 -6.241 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.286 3.123 -7.435 1.00 0.00 C ATOM 1583 NZ LYS A 98 -10.803 3.095 -7.311 1.00 0.00 N ATOM 0 H LYS A 98 -12.689 7.578 -6.892 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.898 5.882 -6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.501 6.768 -4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.551 5.412 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.923 5.609 -6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.320 4.852 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -12.938 3.118 -5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.986 4.013 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.662 2.104 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.564 3.650 -8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.451 2.151 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.388 3.804 -7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.533 3.311 -6.330 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.401 8.561 -4.338 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.068 9.501 -3.444 1.00 0.00 C ATOM 1599 C LEU A 99 -15.977 10.444 -4.226 1.00 0.00 C ATOM 1600 O LEU A 99 -15.516 11.419 -4.816 1.00 0.00 O ATOM 1601 CB LEU A 99 -14.034 10.308 -2.657 1.00 0.00 C ATOM 1602 CG LEU A 99 -13.057 9.497 -1.805 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.920 10.378 -1.311 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.782 8.851 -0.632 1.00 0.00 C ATOM 0 H LEU A 99 -13.406 8.740 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.681 8.929 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.459 10.909 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.564 11.002 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.633 8.707 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.235 9.783 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.384 10.793 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.325 11.190 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.072 8.278 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.234 9.626 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.561 8.187 -1.007 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.273 10.146 -4.223 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.248 10.968 -4.931 1.00 0.00 C ATOM 1618 C ASN A 100 -18.705 12.137 -4.064 1.00 0.00 C ATOM 1619 O ASN A 100 -18.802 12.016 -2.843 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.454 10.122 -5.344 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.344 10.835 -6.345 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -20.820 11.941 -6.091 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -20.572 10.201 -7.489 1.00 0.00 N ATOM 0 H ASN A 100 -17.672 9.342 -3.738 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.770 11.368 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.106 9.184 -5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -20.037 9.869 -4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -21.163 10.630 -8.201 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -20.156 9.285 -7.656 1.00 0.00 H new