USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 812 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 26 TYR OH : rot 168:sc= 0.9 USER MOD Set 1.2: A 93 THR OG1 : rot 64:sc= 1.57 USER MOD Set 2.1: A 11 HIS : no HD1:sc= -0.045 X(o=-0.045,f=-0.5) USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 171:sc=-0.00147 (180deg=-0.151) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0637 X(o=-0.064,f=-0.0045) USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= 1.16 (180deg=0.582) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 35:sc= 0.465 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -5.83! C(o=-5.8!,f=-6.8!) USER MOD Single : A 37 SER OG : rot 140:sc= 0.0296 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.58! C(o=-1.6!,f=-2.6!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 0.118 (180deg=0.0933) USER MOD Single : A 56 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.085) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.0985 X(o=-0.098,f=-0.22) USER MOD Single : A 80 SER OG : rot -122:sc= 0.156 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00556 USER MOD Single : A 87 TYR OH : rot -151:sc= 1.1 USER MOD Single : A 89 TYR OH : rot -45:sc= 0.925 USER MOD Single : A 95 LYS NZ :NH3+ 175:sc= 0.564 (180deg=0.547) USER MOD Single : A 97 GLN : amide:sc= 0.551 K(o=0.55,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 2 19.377 -0.585 9.197 1.00 64.45 N ATOM 9 CA MET A 2 18.205 -0.136 8.460 1.00 44.13 C ATOM 10 C MET A 2 17.646 -1.326 7.684 1.00 50.31 C ATOM 11 O MET A 2 18.364 -2.280 7.361 1.00 21.44 O ATOM 12 CB MET A 2 18.549 1.033 7.523 1.00 54.04 C ATOM 13 CG MET A 2 18.642 2.378 8.254 1.00 50.13 C ATOM 14 SD MET A 2 20.041 2.634 9.386 1.00 43.35 S ATOM 15 CE MET A 2 21.428 2.575 8.220 1.00 64.11 C ATOM 0 HA MET A 2 17.452 0.236 9.155 1.00 44.13 H new ATOM 0 HB2 MET A 2 19.498 0.828 7.028 1.00 54.04 H new ATOM 0 HB3 MET A 2 17.791 1.101 6.743 1.00 54.04 H new ATOM 0 HG2 MET A 2 18.671 3.166 7.502 1.00 50.13 H new ATOM 0 HG3 MET A 2 17.722 2.514 8.823 1.00 50.13 H new ATOM 0 HE1 MET A 2 22.344 2.874 8.729 1.00 64.11 H new ATOM 0 HE2 MET A 2 21.539 1.560 7.838 1.00 64.11 H new ATOM 0 HE3 MET A 2 21.235 3.256 7.391 1.00 64.11 H new ATOM 25 N ARG A 3 16.356 -1.274 7.366 1.00 11.02 N ATOM 26 CA ARG A 3 15.659 -2.318 6.625 1.00 74.22 C ATOM 27 C ARG A 3 15.797 -2.067 5.126 1.00 44.13 C ATOM 28 O ARG A 3 14.842 -1.761 4.420 1.00 73.45 O ATOM 29 CB ARG A 3 14.213 -2.411 7.127 1.00 14.00 C ATOM 30 CG ARG A 3 14.108 -3.145 8.471 1.00 22.30 C ATOM 31 CD ARG A 3 13.923 -4.656 8.295 1.00 65.33 C ATOM 32 NE ARG A 3 15.118 -5.397 7.860 1.00 43.23 N ATOM 33 CZ ARG A 3 15.131 -6.722 7.682 1.00 53.33 C ATOM 34 NH1 ARG A 3 14.183 -7.475 8.233 1.00 10.44 N ATOM 35 NH2 ARG A 3 16.073 -7.287 6.934 1.00 64.33 N ATOM 0 H ARG A 3 15.755 -0.490 7.621 1.00 11.02 H new ATOM 0 HA ARG A 3 16.106 -3.297 6.800 1.00 74.22 H new ATOM 0 HB2 ARG A 3 13.802 -1.407 7.231 1.00 14.00 H new ATOM 0 HB3 ARG A 3 13.606 -2.929 6.385 1.00 14.00 H new ATOM 0 HG2 ARG A 3 15.008 -2.957 9.056 1.00 22.30 H new ATOM 0 HG3 ARG A 3 13.269 -2.742 9.038 1.00 22.30 H new ATOM 0 HD2 ARG A 3 13.583 -5.075 9.242 1.00 65.33 H new ATOM 0 HD3 ARG A 3 13.129 -4.824 7.568 1.00 65.33 H new ATOM 0 HE ARG A 3 15.977 -4.875 7.686 1.00 43.23 H new ATOM 0 HH11 ARG A 3 13.447 -7.041 8.791 1.00 10.44 H new ATOM 0 HH12 ARG A 3 14.192 -8.486 8.098 1.00 10.44 H new ATOM 0 HH21 ARG A 3 16.789 -6.709 6.494 1.00 64.33 H new ATOM 0 HH22 ARG A 3 16.080 -8.298 6.800 1.00 64.33 H new ATOM 49 N ILE A 4 17.028 -2.169 4.646 1.00 13.03 N ATOM 50 CA ILE A 4 17.365 -1.899 3.257 1.00 51.25 C ATOM 51 C ILE A 4 17.112 -3.199 2.486 1.00 61.14 C ATOM 52 O ILE A 4 17.654 -4.242 2.874 1.00 5.43 O ATOM 53 CB ILE A 4 18.814 -1.397 3.083 1.00 70.21 C ATOM 54 CG1 ILE A 4 19.120 -0.234 4.055 1.00 33.44 C ATOM 55 CG2 ILE A 4 18.987 -0.938 1.619 1.00 4.00 C ATOM 56 CD1 ILE A 4 20.574 0.235 4.014 1.00 2.40 C ATOM 0 H ILE A 4 17.828 -2.444 5.216 1.00 13.03 H new ATOM 0 HA ILE A 4 16.746 -1.090 2.870 1.00 51.25 H new ATOM 0 HB ILE A 4 19.513 -2.201 3.313 1.00 70.21 H new ATOM 0 HG12 ILE A 4 18.469 0.607 3.817 1.00 33.44 H new ATOM 0 HG13 ILE A 4 18.877 -0.547 5.070 1.00 33.44 H new ATOM 0 HG21 ILE A 4 20.005 -0.578 1.469 1.00 4.00 H new ATOM 0 HG22 ILE A 4 18.796 -1.777 0.950 1.00 4.00 H new ATOM 0 HG23 ILE A 4 18.282 -0.135 1.404 1.00 4.00 H new ATOM 0 HD11 ILE A 4 20.713 1.052 4.722 1.00 2.40 H new ATOM 0 HD12 ILE A 4 21.231 -0.593 4.282 1.00 2.40 H new ATOM 0 HD13 ILE A 4 20.817 0.580 3.009 1.00 2.40 H new ATOM 68 N PRO A 5 16.315 -3.189 1.407 1.00 64.35 N ATOM 69 CA PRO A 5 16.076 -4.384 0.612 1.00 65.55 C ATOM 70 C PRO A 5 17.344 -4.865 -0.091 1.00 34.43 C ATOM 71 O PRO A 5 18.259 -4.091 -0.382 1.00 50.32 O ATOM 72 CB PRO A 5 14.960 -4.031 -0.378 1.00 32.42 C ATOM 73 CG PRO A 5 14.924 -2.504 -0.390 1.00 23.50 C ATOM 74 CD PRO A 5 15.519 -2.070 0.939 1.00 62.23 C ATOM 0 HA PRO A 5 15.774 -5.218 1.246 1.00 65.55 H new ATOM 0 HB2 PRO A 5 15.170 -4.430 -1.370 1.00 32.42 H new ATOM 0 HB3 PRO A 5 14.004 -4.448 -0.062 1.00 32.42 H new ATOM 0 HG2 PRO A 5 15.499 -2.105 -1.226 1.00 23.50 H new ATOM 0 HG3 PRO A 5 13.904 -2.137 -0.501 1.00 23.50 H new ATOM 0 HD2 PRO A 5 16.134 -1.178 0.818 1.00 62.23 H new ATOM 0 HD3 PRO A 5 14.735 -1.823 1.655 1.00 62.23 H new ATOM 82 N SER A 6 17.402 -6.171 -0.343 1.00 44.12 N ATOM 83 CA SER A 6 18.289 -6.804 -1.311 1.00 51.04 C ATOM 84 C SER A 6 17.469 -7.297 -2.519 1.00 22.14 C ATOM 85 O SER A 6 18.065 -7.745 -3.503 1.00 51.22 O ATOM 86 CB SER A 6 19.076 -7.942 -0.633 1.00 51.22 C ATOM 87 OG SER A 6 20.194 -7.464 0.102 1.00 52.14 O ATOM 0 H SER A 6 16.807 -6.843 0.142 1.00 44.12 H new ATOM 0 HA SER A 6 19.017 -6.082 -1.681 1.00 51.04 H new ATOM 0 HB2 SER A 6 18.413 -8.491 0.036 1.00 51.22 H new ATOM 0 HB3 SER A 6 19.417 -8.646 -1.392 1.00 51.22 H new ATOM 0 HG SER A 6 20.661 -8.220 0.515 1.00 52.14 H new ATOM 93 N ALA A 7 16.130 -7.213 -2.469 1.00 2.34 N ATOM 94 CA ALA A 7 15.222 -7.436 -3.581 1.00 40.43 C ATOM 95 C ALA A 7 14.074 -6.432 -3.498 1.00 23.51 C ATOM 96 O ALA A 7 13.178 -6.589 -2.670 1.00 54.01 O ATOM 97 CB ALA A 7 14.668 -8.862 -3.544 1.00 43.22 C ATOM 0 H ALA A 7 15.638 -6.976 -1.607 1.00 2.34 H new ATOM 0 HA ALA A 7 15.764 -7.302 -4.517 1.00 40.43 H new ATOM 0 HB1 ALA A 7 13.990 -9.011 -4.384 1.00 43.22 H new ATOM 0 HB2 ALA A 7 15.491 -9.574 -3.611 1.00 43.22 H new ATOM 0 HB3 ALA A 7 14.128 -9.019 -2.610 1.00 43.22 H new ATOM 103 N ILE A 8 14.103 -5.420 -4.360 1.00 31.14 N ATOM 104 CA ILE A 8 12.899 -4.878 -4.975 1.00 43.43 C ATOM 105 C ILE A 8 12.601 -5.815 -6.134 1.00 35.53 C ATOM 106 O ILE A 8 13.460 -6.019 -6.999 1.00 13.02 O ATOM 107 CB ILE A 8 13.130 -3.451 -5.539 1.00 61.21 C ATOM 108 CG1 ILE A 8 13.895 -2.482 -4.622 1.00 42.01 C ATOM 109 CG2 ILE A 8 11.800 -2.844 -6.021 1.00 52.41 C ATOM 110 CD1 ILE A 8 13.273 -2.291 -3.245 1.00 72.45 C ATOM 0 H ILE A 8 14.962 -4.954 -4.651 1.00 31.14 H new ATOM 0 HA ILE A 8 12.092 -4.807 -4.246 1.00 43.43 H new ATOM 0 HB ILE A 8 13.804 -3.588 -6.385 1.00 61.21 H new ATOM 0 HG12 ILE A 8 14.915 -2.847 -4.499 1.00 42.01 H new ATOM 0 HG13 ILE A 8 13.961 -1.512 -5.114 1.00 42.01 H new ATOM 0 HG21 ILE A 8 11.978 -1.843 -6.414 1.00 52.41 H new ATOM 0 HG22 ILE A 8 11.377 -3.472 -6.805 1.00 52.41 H new ATOM 0 HG23 ILE A 8 11.102 -2.787 -5.186 1.00 52.41 H new ATOM 0 HD11 ILE A 8 13.878 -1.593 -2.666 1.00 72.45 H new ATOM 0 HD12 ILE A 8 12.264 -1.894 -3.354 1.00 72.45 H new ATOM 0 HD13 ILE A 8 13.232 -3.250 -2.728 1.00 72.45 H new ATOM 122 N GLN A 9 11.383 -6.337 -6.183 1.00 4.03 N ATOM 123 CA GLN A 9 10.817 -6.924 -7.376 1.00 21.50 C ATOM 124 C GLN A 9 9.433 -6.324 -7.518 1.00 40.52 C ATOM 125 O GLN A 9 8.453 -6.905 -7.093 1.00 62.33 O ATOM 126 CB GLN A 9 10.817 -8.458 -7.269 1.00 11.31 C ATOM 127 CG GLN A 9 11.752 -9.051 -8.312 1.00 24.11 C ATOM 128 CD GLN A 9 11.570 -10.564 -8.444 1.00 61.24 C ATOM 129 OE1 GLN A 9 11.602 -11.085 -9.554 1.00 22.13 O ATOM 130 NE2 GLN A 9 11.364 -11.306 -7.361 1.00 73.24 N ATOM 0 H GLN A 9 10.756 -6.362 -5.379 1.00 4.03 H new ATOM 0 HA GLN A 9 11.400 -6.706 -8.271 1.00 21.50 H new ATOM 0 HB2 GLN A 9 11.133 -8.761 -6.271 1.00 11.31 H new ATOM 0 HB3 GLN A 9 9.807 -8.841 -7.414 1.00 11.31 H new ATOM 0 HG2 GLN A 9 11.568 -8.577 -9.276 1.00 24.11 H new ATOM 0 HG3 GLN A 9 12.785 -8.831 -8.041 1.00 24.11 H new ATOM 0 HE21 GLN A 9 11.338 -10.868 -6.440 1.00 73.24 H new ATOM 0 HE22 GLN A 9 11.232 -12.313 -7.451 1.00 73.24 H new ATOM 139 N LEU A 10 9.319 -5.116 -8.064 1.00 42.31 N ATOM 140 CA LEU A 10 8.031 -4.407 -8.045 1.00 42.45 C ATOM 141 C LEU A 10 6.971 -5.094 -8.936 1.00 63.05 C ATOM 142 O LEU A 10 5.813 -4.687 -8.929 1.00 33.30 O ATOM 143 CB LEU A 10 8.197 -2.945 -8.517 1.00 62.31 C ATOM 144 CG LEU A 10 8.199 -2.720 -10.053 1.00 23.00 C ATOM 145 CD1 LEU A 10 8.048 -1.244 -10.405 1.00 63.45 C ATOM 146 CD2 LEU A 10 9.483 -3.237 -10.704 1.00 62.04 C ATOM 0 H LEU A 10 10.081 -4.612 -8.517 1.00 42.31 H new ATOM 0 HA LEU A 10 7.687 -4.430 -7.011 1.00 42.45 H new ATOM 0 HB2 LEU A 10 7.392 -2.351 -8.084 1.00 62.31 H new ATOM 0 HB3 LEU A 10 9.132 -2.558 -8.112 1.00 62.31 H new ATOM 0 HG LEU A 10 7.346 -3.280 -10.437 1.00 23.00 H new ATOM 0 HD11 LEU A 10 8.054 -1.126 -11.489 1.00 63.45 H new ATOM 0 HD12 LEU A 10 7.106 -0.869 -10.004 1.00 63.45 H new ATOM 0 HD13 LEU A 10 8.876 -0.681 -9.974 1.00 63.45 H new ATOM 0 HD21 LEU A 10 9.443 -3.060 -11.779 1.00 62.04 H new ATOM 0 HD22 LEU A 10 10.341 -2.714 -10.282 1.00 62.04 H new ATOM 0 HD23 LEU A 10 9.581 -4.306 -10.516 1.00 62.04 H new ATOM 158 N HIS A 11 7.435 -5.986 -9.817 1.00 41.53 N ATOM 159 CA HIS A 11 6.802 -6.550 -10.991 1.00 15.24 C ATOM 160 C HIS A 11 6.063 -5.520 -11.827 1.00 11.42 C ATOM 161 O HIS A 11 4.846 -5.409 -11.713 1.00 34.41 O ATOM 162 CB HIS A 11 6.003 -7.817 -10.688 1.00 13.20 C ATOM 163 CG HIS A 11 6.929 -8.920 -10.288 1.00 24.02 C ATOM 164 ND1 HIS A 11 7.768 -9.580 -11.148 1.00 53.42 N ATOM 165 CD2 HIS A 11 7.246 -9.300 -9.015 1.00 32.13 C ATOM 166 CE1 HIS A 11 8.577 -10.347 -10.414 1.00 63.01 C ATOM 167 NE2 HIS A 11 8.291 -10.224 -9.111 1.00 34.41 N ATOM 0 H HIS A 11 8.374 -6.368 -9.701 1.00 41.53 H new ATOM 0 HA HIS A 11 7.611 -6.887 -11.639 1.00 15.24 H new ATOM 0 HB2 HIS A 11 5.288 -7.624 -9.889 1.00 13.20 H new ATOM 0 HB3 HIS A 11 5.428 -8.113 -11.566 1.00 13.20 H new ATOM 0 HD2 HIS A 11 6.778 -8.952 -8.106 1.00 32.13 H new ATOM 0 HE1 HIS A 11 9.355 -10.980 -10.815 1.00 63.01 H new ATOM 0 HE2 HIS A 11 8.747 -10.710 -8.339 1.00 34.41 H new ATOM 175 N LYS A 12 6.758 -4.827 -12.739 1.00 12.13 N ATOM 176 CA LYS A 12 6.058 -4.077 -13.785 1.00 75.25 C ATOM 177 C LYS A 12 5.114 -4.996 -14.579 1.00 20.01 C ATOM 178 O LYS A 12 4.145 -4.486 -15.143 1.00 31.40 O ATOM 179 CB LYS A 12 7.041 -3.405 -14.753 1.00 4.34 C ATOM 180 CG LYS A 12 7.576 -2.016 -14.357 1.00 24.44 C ATOM 181 CD LYS A 12 6.538 -0.880 -14.459 1.00 11.24 C ATOM 182 CE LYS A 12 7.149 0.441 -14.969 1.00 71.05 C ATOM 183 NZ LYS A 12 7.940 1.183 -13.960 1.00 35.43 N ATOM 0 H LYS A 12 7.776 -4.771 -12.774 1.00 12.13 H new ATOM 0 HA LYS A 12 5.476 -3.303 -13.286 1.00 75.25 H new ATOM 0 HB2 LYS A 12 7.894 -4.071 -14.886 1.00 4.34 H new ATOM 0 HB3 LYS A 12 6.553 -3.315 -15.723 1.00 4.34 H new ATOM 0 HG2 LYS A 12 7.947 -2.062 -13.333 1.00 24.44 H new ATOM 0 HG3 LYS A 12 8.426 -1.773 -14.994 1.00 24.44 H new ATOM 0 HD2 LYS A 12 5.735 -1.187 -15.129 1.00 11.24 H new ATOM 0 HD3 LYS A 12 6.090 -0.714 -13.479 1.00 11.24 H new ATOM 0 HE2 LYS A 12 7.788 0.224 -15.825 1.00 71.05 H new ATOM 0 HE3 LYS A 12 6.345 1.084 -15.326 1.00 71.05 H new ATOM 0 HZ1 LYS A 12 8.670 1.748 -14.438 1.00 35.43 H new ATOM 0 HZ2 LYS A 12 7.312 1.813 -13.422 1.00 35.43 H new ATOM 0 HZ3 LYS A 12 8.394 0.509 -13.311 1.00 35.43 H new ATOM 197 N ALA A 13 5.357 -6.316 -14.617 1.00 11.23 N ATOM 198 CA ALA A 13 4.484 -7.293 -15.254 1.00 42.51 C ATOM 199 C ALA A 13 3.094 -7.304 -14.607 1.00 75.21 C ATOM 200 O ALA A 13 2.191 -6.637 -15.113 1.00 32.02 O ATOM 201 CB ALA A 13 5.127 -8.685 -15.254 1.00 31.12 C ATOM 0 H ALA A 13 6.186 -6.734 -14.194 1.00 11.23 H new ATOM 0 HA ALA A 13 4.348 -6.997 -16.294 1.00 42.51 H new ATOM 0 HB1 ALA A 13 4.455 -9.396 -15.735 1.00 31.12 H new ATOM 0 HB2 ALA A 13 6.070 -8.650 -15.800 1.00 31.12 H new ATOM 0 HB3 ALA A 13 5.313 -9.000 -14.227 1.00 31.12 H new ATOM 207 N SER A 14 2.897 -8.052 -13.515 1.00 74.35 N ATOM 208 CA SER A 14 1.587 -8.221 -12.881 1.00 64.31 C ATOM 209 C SER A 14 1.336 -7.179 -11.782 1.00 60.13 C ATOM 210 O SER A 14 0.427 -7.346 -10.976 1.00 3.51 O ATOM 211 CB SER A 14 1.445 -9.660 -12.362 1.00 43.53 C ATOM 212 OG SER A 14 0.099 -10.107 -12.390 1.00 43.21 O ATOM 0 H SER A 14 3.647 -8.559 -13.045 1.00 74.35 H new ATOM 0 HA SER A 14 0.816 -8.049 -13.632 1.00 64.31 H new ATOM 0 HB2 SER A 14 2.060 -10.326 -12.967 1.00 43.53 H new ATOM 0 HB3 SER A 14 1.824 -9.716 -11.342 1.00 43.53 H new ATOM 0 HG SER A 14 0.053 -11.026 -12.054 1.00 43.21 H new ATOM 218 N LYS A 15 2.133 -6.107 -11.726 1.00 71.41 N ATOM 219 CA LYS A 15 1.970 -4.966 -10.820 1.00 23.21 C ATOM 220 C LYS A 15 1.900 -5.456 -9.376 1.00 3.32 C ATOM 221 O LYS A 15 1.065 -5.021 -8.581 1.00 4.44 O ATOM 222 CB LYS A 15 0.799 -4.072 -11.265 1.00 35.20 C ATOM 223 CG LYS A 15 0.751 -3.820 -12.788 1.00 52.21 C ATOM 224 CD LYS A 15 -0.644 -4.136 -13.354 1.00 24.41 C ATOM 225 CE LYS A 15 -0.944 -3.259 -14.558 1.00 60.25 C ATOM 226 NZ LYS A 15 -0.005 -3.420 -15.693 1.00 54.22 N ATOM 0 H LYS A 15 2.944 -6.007 -12.337 1.00 71.41 H new ATOM 0 HA LYS A 15 2.843 -4.315 -10.869 1.00 23.21 H new ATOM 0 HB2 LYS A 15 -0.138 -4.534 -10.953 1.00 35.20 H new ATOM 0 HB3 LYS A 15 0.869 -3.114 -10.750 1.00 35.20 H new ATOM 0 HG2 LYS A 15 1.005 -2.781 -12.997 1.00 52.21 H new ATOM 0 HG3 LYS A 15 1.498 -4.437 -13.286 1.00 52.21 H new ATOM 0 HD2 LYS A 15 -0.697 -5.186 -13.640 1.00 24.41 H new ATOM 0 HD3 LYS A 15 -1.399 -3.977 -12.584 1.00 24.41 H new ATOM 0 HE2 LYS A 15 -1.954 -3.477 -14.906 1.00 60.25 H new ATOM 0 HE3 LYS A 15 -0.934 -2.216 -14.242 1.00 60.25 H new ATOM 0 HZ1 LYS A 15 -0.285 -2.785 -16.468 1.00 54.22 H new ATOM 0 HZ2 LYS A 15 0.959 -3.183 -15.382 1.00 54.22 H new ATOM 0 HZ3 LYS A 15 -0.029 -4.405 -16.026 1.00 54.22 H new ATOM 240 N THR A 16 2.793 -6.379 -9.034 1.00 74.32 N ATOM 241 CA THR A 16 2.806 -7.104 -7.778 1.00 55.55 C ATOM 242 C THR A 16 4.141 -6.798 -7.120 1.00 73.45 C ATOM 243 O THR A 16 5.170 -7.305 -7.553 1.00 52.23 O ATOM 244 CB THR A 16 2.634 -8.602 -8.067 1.00 31.13 C ATOM 245 OG1 THR A 16 1.429 -8.868 -8.765 1.00 20.40 O ATOM 246 CG2 THR A 16 2.620 -9.415 -6.768 1.00 51.23 C ATOM 0 H THR A 16 3.557 -6.650 -9.653 1.00 74.32 H new ATOM 0 HA THR A 16 1.994 -6.810 -7.112 1.00 55.55 H new ATOM 0 HB THR A 16 3.483 -8.895 -8.685 1.00 31.13 H new ATOM 0 HG1 THR A 16 1.236 -8.128 -9.378 1.00 20.40 H new ATOM 0 HG21 THR A 16 2.497 -10.472 -7.002 1.00 51.23 H new ATOM 0 HG22 THR A 16 3.560 -9.268 -6.237 1.00 51.23 H new ATOM 0 HG23 THR A 16 1.793 -9.084 -6.140 1.00 51.23 H new ATOM 254 N LEU A 17 4.157 -5.915 -6.130 1.00 73.15 N ATOM 255 CA LEU A 17 5.406 -5.492 -5.531 1.00 75.45 C ATOM 256 C LEU A 17 5.862 -6.586 -4.579 1.00 35.00 C ATOM 257 O LEU A 17 5.135 -6.935 -3.654 1.00 63.44 O ATOM 258 CB LEU A 17 5.221 -4.119 -4.887 1.00 14.44 C ATOM 259 CG LEU A 17 6.540 -3.421 -4.508 1.00 24.42 C ATOM 260 CD1 LEU A 17 6.377 -1.903 -4.544 1.00 53.45 C ATOM 261 CD2 LEU A 17 7.045 -3.873 -3.181 1.00 72.45 C ATOM 0 H LEU A 17 3.324 -5.483 -5.731 1.00 73.15 H new ATOM 0 HA LEU A 17 6.199 -5.361 -6.267 1.00 75.45 H new ATOM 0 HB2 LEU A 17 4.668 -3.479 -5.574 1.00 14.44 H new ATOM 0 HB3 LEU A 17 4.610 -4.229 -3.991 1.00 14.44 H new ATOM 0 HG LEU A 17 7.286 -3.705 -5.250 1.00 24.42 H new ATOM 0 HD11 LEU A 17 7.321 -1.429 -4.273 1.00 53.45 H new ATOM 0 HD12 LEU A 17 6.090 -1.592 -5.548 1.00 53.45 H new ATOM 0 HD13 LEU A 17 5.604 -1.603 -3.836 1.00 53.45 H new ATOM 0 HD21 LEU A 17 7.977 -3.357 -2.951 1.00 72.45 H new ATOM 0 HD22 LEU A 17 6.305 -3.645 -2.413 1.00 72.45 H new ATOM 0 HD23 LEU A 17 7.223 -4.948 -3.206 1.00 72.45 H new ATOM 273 N THR A 18 7.055 -7.127 -4.793 1.00 71.23 N ATOM 274 CA THR A 18 7.631 -8.205 -4.025 1.00 11.34 C ATOM 275 C THR A 18 8.865 -7.656 -3.322 1.00 61.25 C ATOM 276 O THR A 18 9.623 -6.864 -3.898 1.00 23.34 O ATOM 277 CB THR A 18 7.917 -9.425 -4.918 1.00 14.41 C ATOM 278 OG1 THR A 18 6.745 -9.814 -5.613 1.00 71.04 O ATOM 279 CG2 THR A 18 8.439 -10.651 -4.160 1.00 73.43 C ATOM 0 H THR A 18 7.669 -6.806 -5.542 1.00 71.23 H new ATOM 0 HA THR A 18 6.937 -8.571 -3.269 1.00 11.34 H new ATOM 0 HB THR A 18 8.702 -9.097 -5.600 1.00 14.41 H new ATOM 0 HG1 THR A 18 6.942 -10.590 -6.178 1.00 71.04 H new ATOM 0 HG21 THR A 18 8.615 -11.466 -4.863 1.00 73.43 H new ATOM 0 HG22 THR A 18 9.372 -10.398 -3.657 1.00 73.43 H new ATOM 0 HG23 THR A 18 7.701 -10.963 -3.420 1.00 73.43 H new ATOM 287 N LEU A 19 9.020 -8.051 -2.063 1.00 73.55 N ATOM 288 CA LEU A 19 10.033 -7.605 -1.128 1.00 60.23 C ATOM 289 C LEU A 19 10.381 -8.809 -0.266 1.00 15.32 C ATOM 290 O LEU A 19 9.481 -9.561 0.109 1.00 2.23 O ATOM 291 CB LEU A 19 9.438 -6.506 -0.234 1.00 25.23 C ATOM 292 CG LEU A 19 9.182 -5.151 -0.922 1.00 43.04 C ATOM 293 CD1 LEU A 19 8.427 -4.272 0.092 1.00 71.15 C ATOM 294 CD2 LEU A 19 10.470 -4.462 -1.377 1.00 30.41 C ATOM 0 H LEU A 19 8.394 -8.740 -1.645 1.00 73.55 H new ATOM 0 HA LEU A 19 10.910 -7.212 -1.643 1.00 60.23 H new ATOM 0 HB2 LEU A 19 8.495 -6.868 0.177 1.00 25.23 H new ATOM 0 HB3 LEU A 19 10.111 -6.344 0.608 1.00 25.23 H new ATOM 0 HG LEU A 19 8.600 -5.311 -1.830 1.00 43.04 H new ATOM 0 HD11 LEU A 19 8.223 -3.298 -0.352 1.00 71.15 H new ATOM 0 HD12 LEU A 19 7.486 -4.753 0.361 1.00 71.15 H new ATOM 0 HD13 LEU A 19 9.037 -4.142 0.986 1.00 71.15 H new ATOM 0 HD21 LEU A 19 10.226 -3.513 -1.854 1.00 30.41 H new ATOM 0 HD22 LEU A 19 11.110 -4.280 -0.514 1.00 30.41 H new ATOM 0 HD23 LEU A 19 10.993 -5.102 -2.088 1.00 30.41 H new ATOM 306 N ARG A 20 11.656 -8.977 0.099 1.00 52.34 N ATOM 307 CA ARG A 20 12.074 -10.115 0.922 1.00 23.34 C ATOM 308 C ARG A 20 12.449 -9.645 2.321 1.00 54.13 C ATOM 309 O ARG A 20 13.549 -9.103 2.476 1.00 1.20 O ATOM 310 CB ARG A 20 13.169 -10.933 0.220 1.00 20.24 C ATOM 311 CG ARG A 20 13.432 -12.223 1.014 1.00 0.04 C ATOM 312 CD ARG A 20 14.610 -13.044 0.485 1.00 23.23 C ATOM 313 NE ARG A 20 15.924 -12.428 0.717 1.00 41.03 N ATOM 314 CZ ARG A 20 17.062 -12.814 0.124 1.00 3.41 C ATOM 315 NH1 ARG A 20 17.068 -13.753 -0.817 1.00 42.13 N ATOM 316 NH2 ARG A 20 18.221 -12.268 0.465 1.00 11.24 N ATOM 0 H ARG A 20 12.412 -8.343 -0.161 1.00 52.34 H new ATOM 0 HA ARG A 20 11.237 -10.802 1.046 1.00 23.34 H new ATOM 0 HB2 ARG A 20 12.861 -11.175 -0.797 1.00 20.24 H new ATOM 0 HB3 ARG A 20 14.085 -10.346 0.145 1.00 20.24 H new ATOM 0 HG2 ARG A 20 13.620 -11.965 2.056 1.00 0.04 H new ATOM 0 HG3 ARG A 20 12.534 -12.840 0.995 1.00 0.04 H new ATOM 0 HD2 ARG A 20 14.594 -14.027 0.955 1.00 23.23 H new ATOM 0 HD3 ARG A 20 14.478 -13.200 -0.586 1.00 23.23 H new ATOM 0 HE ARG A 20 15.973 -11.651 1.376 1.00 41.03 H new ATOM 0 HH11 ARG A 20 16.194 -14.196 -1.101 1.00 42.13 H new ATOM 0 HH12 ARG A 20 17.946 -14.031 -1.255 1.00 42.13 H new ATOM 0 HH21 ARG A 20 18.253 -11.547 1.185 1.00 11.24 H new ATOM 0 HH22 ARG A 20 19.081 -12.569 0.007 1.00 11.24 H new ATOM 330 N TYR A 21 11.533 -9.737 3.288 1.00 23.44 N ATOM 331 CA TYR A 21 11.754 -9.506 4.710 1.00 73.13 C ATOM 332 C TYR A 21 12.608 -10.656 5.247 1.00 72.34 C ATOM 333 O TYR A 21 12.092 -11.723 5.566 1.00 55.35 O ATOM 334 CB TYR A 21 10.406 -9.422 5.450 1.00 72.22 C ATOM 335 CG TYR A 21 10.521 -8.967 6.897 1.00 62.24 C ATOM 336 CD1 TYR A 21 10.532 -7.594 7.190 1.00 10.34 C ATOM 337 CD2 TYR A 21 10.622 -9.897 7.949 1.00 34.34 C ATOM 338 CE1 TYR A 21 10.711 -7.134 8.507 1.00 64.52 C ATOM 339 CE2 TYR A 21 10.767 -9.449 9.279 1.00 44.02 C ATOM 340 CZ TYR A 21 10.824 -8.064 9.563 1.00 42.32 C ATOM 341 OH TYR A 21 11.100 -7.622 10.819 1.00 2.41 O ATOM 0 H TYR A 21 10.566 -9.989 3.084 1.00 23.44 H new ATOM 0 HA TYR A 21 12.272 -8.560 4.869 1.00 73.13 H new ATOM 0 HB2 TYR A 21 9.752 -8.734 4.915 1.00 72.22 H new ATOM 0 HB3 TYR A 21 9.928 -10.401 5.425 1.00 72.22 H new ATOM 0 HD1 TYR A 21 10.401 -6.879 6.391 1.00 10.34 H new ATOM 0 HD2 TYR A 21 10.588 -10.956 7.738 1.00 34.34 H new ATOM 0 HE1 TYR A 21 10.762 -6.074 8.709 1.00 64.52 H new ATOM 0 HE2 TYR A 21 10.835 -10.166 10.084 1.00 44.02 H new ATOM 0 HH TYR A 21 11.144 -8.385 11.432 1.00 2.41 H new ATOM 351 N GLY A 22 13.921 -10.460 5.332 1.00 64.15 N ATOM 352 CA GLY A 22 14.842 -11.509 5.727 1.00 1.22 C ATOM 353 C GLY A 22 14.908 -12.558 4.626 1.00 60.12 C ATOM 354 O GLY A 22 15.539 -12.313 3.597 1.00 75.54 O ATOM 0 H GLY A 22 14.371 -9.568 5.128 1.00 64.15 H new ATOM 0 HA2 GLY A 22 15.832 -11.091 5.907 1.00 1.22 H new ATOM 0 HA3 GLY A 22 14.514 -11.965 6.661 1.00 1.22 H new ATOM 358 N GLU A 23 14.260 -13.706 4.830 1.00 62.45 N ATOM 359 CA GLU A 23 14.059 -14.757 3.819 1.00 1.43 C ATOM 360 C GLU A 23 12.640 -14.758 3.241 1.00 3.42 C ATOM 361 O GLU A 23 12.399 -15.263 2.143 1.00 73.33 O ATOM 362 CB GLU A 23 14.454 -16.129 4.366 1.00 23.12 C ATOM 363 CG GLU A 23 13.666 -16.474 5.619 1.00 40.15 C ATOM 364 CD GLU A 23 13.289 -17.946 5.793 1.00 54.01 C ATOM 365 OE1 GLU A 23 12.750 -18.552 4.840 1.00 72.42 O ATOM 366 OE2 GLU A 23 13.410 -18.468 6.929 1.00 73.51 O ATOM 0 H GLU A 23 13.845 -13.942 5.732 1.00 62.45 H new ATOM 0 HA GLU A 23 14.723 -14.527 2.985 1.00 1.43 H new ATOM 0 HB2 GLU A 23 14.281 -16.890 3.605 1.00 23.12 H new ATOM 0 HB3 GLU A 23 15.521 -16.140 4.591 1.00 23.12 H new ATOM 0 HG2 GLU A 23 14.248 -16.164 6.487 1.00 40.15 H new ATOM 0 HG3 GLU A 23 12.750 -15.883 5.622 1.00 40.15 H new ATOM 373 N ASP A 24 11.714 -14.171 3.987 1.00 62.54 N ATOM 374 CA ASP A 24 10.278 -14.202 3.732 1.00 63.54 C ATOM 375 C ASP A 24 9.972 -13.251 2.589 1.00 1.32 C ATOM 376 O ASP A 24 10.146 -12.039 2.719 1.00 73.42 O ATOM 377 CB ASP A 24 9.460 -13.845 4.973 1.00 23.12 C ATOM 378 CG ASP A 24 9.732 -14.780 6.142 1.00 23.30 C ATOM 379 OD1 ASP A 24 9.644 -16.017 5.984 1.00 34.50 O ATOM 380 OD2 ASP A 24 10.088 -14.292 7.244 1.00 40.45 O ATOM 0 H ASP A 24 11.952 -13.637 4.823 1.00 62.54 H new ATOM 0 HA ASP A 24 9.992 -15.219 3.462 1.00 63.54 H new ATOM 0 HB2 ASP A 24 9.687 -12.821 5.271 1.00 23.12 H new ATOM 0 HB3 ASP A 24 8.399 -13.877 4.726 1.00 23.12 H new ATOM 385 N SER A 25 9.595 -13.800 1.441 1.00 51.03 N ATOM 386 CA SER A 25 9.220 -13.030 0.271 1.00 34.11 C ATOM 387 C SER A 25 7.719 -12.871 0.325 1.00 55.03 C ATOM 388 O SER A 25 6.945 -13.830 0.380 1.00 41.01 O ATOM 389 CB SER A 25 9.688 -13.692 -1.012 1.00 40.34 C ATOM 390 OG SER A 25 9.526 -12.912 -2.182 1.00 11.44 O ATOM 0 H SER A 25 9.542 -14.809 1.299 1.00 51.03 H new ATOM 0 HA SER A 25 9.704 -12.053 0.274 1.00 34.11 H new ATOM 0 HB2 SER A 25 10.742 -13.948 -0.907 1.00 40.34 H new ATOM 0 HB3 SER A 25 9.144 -14.628 -1.139 1.00 40.34 H new ATOM 0 HG SER A 25 9.854 -13.413 -2.957 1.00 11.44 H new ATOM 396 N TYR A 26 7.350 -11.612 0.298 1.00 44.34 N ATOM 397 CA TYR A 26 5.985 -11.128 0.295 1.00 32.41 C ATOM 398 C TYR A 26 5.770 -10.410 -1.008 1.00 51.44 C ATOM 399 O TYR A 26 6.678 -9.751 -1.507 1.00 53.24 O ATOM 400 CB TYR A 26 5.728 -10.188 1.469 1.00 54.21 C ATOM 401 CG TYR A 26 5.875 -10.895 2.789 1.00 23.41 C ATOM 402 CD1 TYR A 26 4.906 -11.837 3.179 1.00 33.31 C ATOM 403 CD2 TYR A 26 7.008 -10.661 3.586 1.00 15.03 C ATOM 404 CE1 TYR A 26 5.059 -12.550 4.377 1.00 73.25 C ATOM 405 CE2 TYR A 26 7.145 -11.350 4.800 1.00 62.52 C ATOM 406 CZ TYR A 26 6.179 -12.301 5.194 1.00 40.43 C ATOM 407 OH TYR A 26 6.314 -12.914 6.397 1.00 22.34 O ATOM 0 H TYR A 26 8.031 -10.853 0.276 1.00 44.34 H new ATOM 0 HA TYR A 26 5.292 -11.963 0.400 1.00 32.41 H new ATOM 0 HB2 TYR A 26 6.425 -9.351 1.425 1.00 54.21 H new ATOM 0 HB3 TYR A 26 4.724 -9.771 1.389 1.00 54.21 H new ATOM 0 HD1 TYR A 26 4.042 -12.012 2.555 1.00 33.31 H new ATOM 0 HD2 TYR A 26 7.764 -9.959 3.268 1.00 15.03 H new ATOM 0 HE1 TYR A 26 4.324 -13.284 4.671 1.00 73.25 H new ATOM 0 HE2 TYR A 26 7.994 -11.152 5.437 1.00 62.52 H new ATOM 0 HH TYR A 26 7.222 -12.772 6.737 1.00 22.34 H new ATOM 417 N ASP A 27 4.566 -10.541 -1.537 1.00 44.23 N ATOM 418 CA ASP A 27 4.164 -10.186 -2.880 1.00 73.31 C ATOM 419 C ASP A 27 2.812 -9.499 -2.738 1.00 71.44 C ATOM 420 O ASP A 27 1.752 -10.125 -2.641 1.00 22.34 O ATOM 421 CB ASP A 27 4.197 -11.415 -3.814 1.00 2.14 C ATOM 422 CG ASP A 27 3.220 -12.545 -3.471 1.00 0.34 C ATOM 423 OD1 ASP A 27 3.339 -13.137 -2.367 1.00 4.40 O ATOM 424 OD2 ASP A 27 2.357 -12.852 -4.320 1.00 54.21 O ATOM 0 H ASP A 27 3.791 -10.926 -0.998 1.00 44.23 H new ATOM 0 HA ASP A 27 4.852 -9.495 -3.368 1.00 73.31 H new ATOM 0 HB2 ASP A 27 3.992 -11.080 -4.831 1.00 2.14 H new ATOM 0 HB3 ASP A 27 5.208 -11.822 -3.811 1.00 2.14 H new ATOM 429 N LEU A 28 2.875 -8.181 -2.566 1.00 71.25 N ATOM 430 CA LEU A 28 1.725 -7.351 -2.269 1.00 71.22 C ATOM 431 C LEU A 28 1.126 -6.833 -3.588 1.00 20.43 C ATOM 432 O LEU A 28 1.880 -6.426 -4.483 1.00 34.41 O ATOM 433 CB LEU A 28 2.215 -6.188 -1.381 1.00 11.13 C ATOM 434 CG LEU A 28 2.958 -6.681 -0.109 1.00 51.31 C ATOM 435 CD1 LEU A 28 4.487 -6.617 -0.222 1.00 53.25 C ATOM 436 CD2 LEU A 28 2.519 -5.890 1.118 1.00 34.34 C ATOM 0 H LEU A 28 3.747 -7.656 -2.632 1.00 71.25 H new ATOM 0 HA LEU A 28 0.948 -7.908 -1.745 1.00 71.22 H new ATOM 0 HB2 LEU A 28 2.880 -5.548 -1.961 1.00 11.13 H new ATOM 0 HB3 LEU A 28 1.362 -5.577 -1.085 1.00 11.13 H new ATOM 0 HG LEU A 28 2.683 -7.731 -0.004 1.00 51.31 H new ATOM 0 HD11 LEU A 28 4.936 -6.977 0.704 1.00 53.25 H new ATOM 0 HD12 LEU A 28 4.817 -7.242 -1.052 1.00 53.25 H new ATOM 0 HD13 LEU A 28 4.796 -5.587 -0.398 1.00 53.25 H new ATOM 0 HD21 LEU A 28 3.053 -6.254 1.996 1.00 34.34 H new ATOM 0 HD22 LEU A 28 2.743 -4.834 0.969 1.00 34.34 H new ATOM 0 HD23 LEU A 28 1.447 -6.016 1.268 1.00 34.34 H new ATOM 448 N PRO A 29 -0.208 -6.724 -3.705 1.00 52.23 N ATOM 449 CA PRO A 29 -0.835 -6.218 -4.916 1.00 44.43 C ATOM 450 C PRO A 29 -0.712 -4.698 -4.975 1.00 54.35 C ATOM 451 O PRO A 29 -0.579 -4.021 -3.949 1.00 74.05 O ATOM 452 CB PRO A 29 -2.297 -6.672 -4.859 1.00 71.41 C ATOM 453 CG PRO A 29 -2.568 -6.850 -3.369 1.00 72.03 C ATOM 454 CD PRO A 29 -1.209 -7.267 -2.805 1.00 32.30 C ATOM 0 HA PRO A 29 -0.355 -6.599 -5.817 1.00 44.43 H new ATOM 0 HB2 PRO A 29 -2.963 -5.931 -5.300 1.00 71.41 H new ATOM 0 HB3 PRO A 29 -2.448 -7.602 -5.406 1.00 71.41 H new ATOM 0 HG2 PRO A 29 -2.925 -5.927 -2.913 1.00 72.03 H new ATOM 0 HG3 PRO A 29 -3.328 -7.610 -3.187 1.00 72.03 H new ATOM 0 HD2 PRO A 29 -1.073 -6.881 -1.795 1.00 32.30 H new ATOM 0 HD3 PRO A 29 -1.130 -8.352 -2.745 1.00 32.30 H new ATOM 462 N ALA A 30 -0.823 -4.145 -6.184 1.00 44.32 N ATOM 463 CA ALA A 30 -0.839 -2.708 -6.398 1.00 13.52 C ATOM 464 C ALA A 30 -1.928 -2.049 -5.534 1.00 34.00 C ATOM 465 O ALA A 30 -1.644 -1.032 -4.895 1.00 12.34 O ATOM 466 CB ALA A 30 -1.020 -2.417 -7.888 1.00 43.41 C ATOM 0 H ALA A 30 -0.904 -4.689 -7.043 1.00 44.32 H new ATOM 0 HA ALA A 30 0.112 -2.276 -6.088 1.00 13.52 H new ATOM 0 HB1 ALA A 30 -1.032 -1.339 -8.049 1.00 43.41 H new ATOM 0 HB2 ALA A 30 -0.195 -2.858 -8.448 1.00 43.41 H new ATOM 0 HB3 ALA A 30 -1.962 -2.846 -8.231 1.00 43.41 H new ATOM 472 N GLU A 31 -3.153 -2.598 -5.494 1.00 52.34 N ATOM 473 CA GLU A 31 -4.258 -1.985 -4.754 1.00 2.13 C ATOM 474 C GLU A 31 -3.978 -1.885 -3.248 1.00 3.21 C ATOM 475 O GLU A 31 -4.274 -0.854 -2.642 1.00 50.24 O ATOM 476 CB GLU A 31 -5.630 -2.623 -5.063 1.00 72.03 C ATOM 477 CG GLU A 31 -5.977 -4.008 -4.463 1.00 52.13 C ATOM 478 CD GLU A 31 -7.498 -4.279 -4.345 1.00 43.24 C ATOM 479 OE1 GLU A 31 -8.262 -3.331 -4.034 1.00 31.34 O ATOM 480 OE2 GLU A 31 -7.922 -5.458 -4.428 1.00 0.22 O ATOM 0 H GLU A 31 -3.399 -3.467 -5.968 1.00 52.34 H new ATOM 0 HA GLU A 31 -4.323 -0.961 -5.122 1.00 2.13 H new ATOM 0 HB2 GLU A 31 -6.398 -1.923 -4.734 1.00 72.03 H new ATOM 0 HB3 GLU A 31 -5.716 -2.705 -6.146 1.00 72.03 H new ATOM 0 HG2 GLU A 31 -5.527 -4.784 -5.082 1.00 52.13 H new ATOM 0 HG3 GLU A 31 -5.526 -4.088 -3.474 1.00 52.13 H new ATOM 487 N PHE A 32 -3.351 -2.904 -2.644 1.00 63.45 N ATOM 488 CA PHE A 32 -3.039 -2.903 -1.212 1.00 42.52 C ATOM 489 C PHE A 32 -2.146 -1.711 -0.866 1.00 21.13 C ATOM 490 O PHE A 32 -2.352 -1.014 0.126 1.00 34.02 O ATOM 491 CB PHE A 32 -2.380 -4.235 -0.818 1.00 13.52 C ATOM 492 CG PHE A 32 -1.747 -4.265 0.559 1.00 23.42 C ATOM 493 CD1 PHE A 32 -0.429 -3.804 0.735 1.00 53.41 C ATOM 494 CD2 PHE A 32 -2.441 -4.783 1.667 1.00 2.53 C ATOM 495 CE1 PHE A 32 0.172 -3.834 2.001 1.00 50.03 C ATOM 496 CE2 PHE A 32 -1.840 -4.807 2.925 1.00 10.32 C ATOM 497 CZ PHE A 32 -0.533 -4.333 3.099 1.00 54.11 C ATOM 0 H PHE A 32 -3.048 -3.746 -3.133 1.00 63.45 H new ATOM 0 HA PHE A 32 -3.962 -2.802 -0.641 1.00 42.52 H new ATOM 0 HB2 PHE A 32 -3.132 -5.022 -0.871 1.00 13.52 H new ATOM 0 HB3 PHE A 32 -1.615 -4.475 -1.556 1.00 13.52 H new ATOM 0 HD1 PHE A 32 0.124 -3.424 -0.112 1.00 53.41 H new ATOM 0 HD2 PHE A 32 -3.444 -5.164 1.543 1.00 2.53 H new ATOM 0 HE1 PHE A 32 1.181 -3.471 2.128 1.00 50.03 H new ATOM 0 HE2 PHE A 32 -2.386 -5.194 3.772 1.00 10.32 H new ATOM 0 HZ PHE A 32 -0.073 -4.353 4.076 1.00 54.11 H new ATOM 507 N LEU A 33 -1.135 -1.453 -1.690 1.00 44.31 N ATOM 508 CA LEU A 33 -0.108 -0.501 -1.304 1.00 45.55 C ATOM 509 C LEU A 33 -0.643 0.944 -1.375 1.00 30.12 C ATOM 510 O LEU A 33 -0.165 1.800 -0.628 1.00 45.32 O ATOM 511 CB LEU A 33 1.148 -0.715 -2.166 1.00 2.31 C ATOM 512 CG LEU A 33 1.741 -2.141 -2.171 1.00 44.52 C ATOM 513 CD1 LEU A 33 2.390 -2.441 -3.524 1.00 33.34 C ATOM 514 CD2 LEU A 33 2.763 -2.342 -1.052 1.00 21.42 C ATOM 0 H LEU A 33 -1.008 -1.880 -2.608 1.00 44.31 H new ATOM 0 HA LEU A 33 0.175 -0.671 -0.265 1.00 45.55 H new ATOM 0 HB2 LEU A 33 0.908 -0.441 -3.193 1.00 2.31 H new ATOM 0 HB3 LEU A 33 1.919 -0.025 -1.824 1.00 2.31 H new ATOM 0 HG LEU A 33 0.917 -2.834 -1.998 1.00 44.52 H new ATOM 0 HD11 LEU A 33 2.804 -3.449 -3.513 1.00 33.34 H new ATOM 0 HD12 LEU A 33 1.641 -2.365 -4.312 1.00 33.34 H new ATOM 0 HD13 LEU A 33 3.188 -1.723 -3.712 1.00 33.34 H new ATOM 0 HD21 LEU A 33 3.153 -3.359 -1.094 1.00 21.42 H new ATOM 0 HD22 LEU A 33 3.582 -1.633 -1.176 1.00 21.42 H new ATOM 0 HD23 LEU A 33 2.283 -2.177 -0.087 1.00 21.42 H new ATOM 526 N ARG A 34 -1.654 1.231 -2.209 1.00 53.35 N ATOM 527 CA ARG A 34 -2.320 2.541 -2.238 1.00 51.33 C ATOM 528 C ARG A 34 -3.237 2.771 -1.029 1.00 34.10 C ATOM 529 O ARG A 34 -3.575 3.913 -0.737 1.00 44.22 O ATOM 530 CB ARG A 34 -3.093 2.704 -3.568 1.00 70.01 C ATOM 531 CG ARG A 34 -4.012 3.942 -3.658 1.00 23.22 C ATOM 532 CD ARG A 34 -3.255 5.282 -3.501 1.00 61.35 C ATOM 533 NE ARG A 34 -4.178 6.400 -3.251 1.00 24.11 N ATOM 534 CZ ARG A 34 -3.861 7.664 -2.934 1.00 4.32 C ATOM 535 NH1 ARG A 34 -2.603 8.103 -2.968 1.00 74.32 N ATOM 536 NH2 ARG A 34 -4.836 8.489 -2.562 1.00 33.21 N ATOM 0 H ARG A 34 -2.032 0.563 -2.881 1.00 53.35 H new ATOM 0 HA ARG A 34 -1.546 3.306 -2.175 1.00 51.33 H new ATOM 0 HB2 ARG A 34 -2.371 2.749 -4.384 1.00 70.01 H new ATOM 0 HB3 ARG A 34 -3.699 1.812 -3.727 1.00 70.01 H new ATOM 0 HG2 ARG A 34 -4.526 3.934 -4.619 1.00 23.22 H new ATOM 0 HG3 ARG A 34 -4.778 3.873 -2.886 1.00 23.22 H new ATOM 0 HD2 ARG A 34 -2.545 5.205 -2.678 1.00 61.35 H new ATOM 0 HD3 ARG A 34 -2.677 5.482 -4.403 1.00 61.35 H new ATOM 0 HE ARG A 34 -5.173 6.190 -3.328 1.00 24.11 H new ATOM 0 HH11 ARG A 34 -1.850 7.472 -3.241 1.00 74.32 H new ATOM 0 HH12 ARG A 34 -2.394 9.070 -2.721 1.00 74.32 H new ATOM 0 HH21 ARG A 34 -5.799 8.155 -2.523 1.00 33.21 H new ATOM 0 HH22 ARG A 34 -4.620 9.455 -2.316 1.00 33.21 H new ATOM 550 N VAL A 35 -3.700 1.742 -0.320 1.00 42.15 N ATOM 551 CA VAL A 35 -4.614 2.010 0.795 1.00 22.41 C ATOM 552 C VAL A 35 -3.819 2.378 2.059 1.00 12.34 C ATOM 553 O VAL A 35 -4.322 3.127 2.894 1.00 12.53 O ATOM 554 CB VAL A 35 -5.687 0.918 0.898 1.00 71.41 C ATOM 555 CG1 VAL A 35 -6.479 0.906 -0.437 1.00 61.41 C ATOM 556 CG2 VAL A 35 -5.178 -0.486 1.223 1.00 30.13 C ATOM 0 H VAL A 35 -3.474 0.761 -0.483 1.00 42.15 H new ATOM 0 HA VAL A 35 -5.215 2.903 0.620 1.00 22.41 H new ATOM 0 HB VAL A 35 -6.312 1.175 1.753 1.00 71.41 H new ATOM 0 HG11 VAL A 35 -7.251 0.138 -0.395 1.00 61.41 H new ATOM 0 HG12 VAL A 35 -6.944 1.880 -0.593 1.00 61.41 H new ATOM 0 HG13 VAL A 35 -5.799 0.692 -1.262 1.00 61.41 H new ATOM 0 HG21 VAL A 35 -6.020 -1.176 1.271 1.00 30.13 H new ATOM 0 HG22 VAL A 35 -4.486 -0.811 0.446 1.00 30.13 H new ATOM 0 HG23 VAL A 35 -4.664 -0.473 2.184 1.00 30.13 H new ATOM 566 N HIS A 36 -2.534 2.002 2.147 1.00 33.20 N ATOM 567 CA HIS A 36 -1.681 2.218 3.321 1.00 23.42 C ATOM 568 C HIS A 36 -0.636 3.345 3.147 1.00 43.15 C ATOM 569 O HIS A 36 0.349 3.402 3.882 1.00 30.10 O ATOM 570 CB HIS A 36 -1.080 0.863 3.737 1.00 61.25 C ATOM 571 CG HIS A 36 0.086 0.333 2.949 1.00 43.31 C ATOM 572 ND1 HIS A 36 0.688 0.898 1.849 1.00 31.52 N ATOM 573 CD2 HIS A 36 0.715 -0.853 3.206 1.00 11.11 C ATOM 574 CE1 HIS A 36 1.679 0.083 1.471 1.00 34.50 C ATOM 575 NE2 HIS A 36 1.729 -1.006 2.252 1.00 45.15 N ATOM 0 H HIS A 36 -2.050 1.528 1.385 1.00 33.20 H new ATOM 0 HA HIS A 36 -2.296 2.597 4.137 1.00 23.42 H new ATOM 0 HB2 HIS A 36 -0.770 0.942 4.779 1.00 61.25 H new ATOM 0 HB3 HIS A 36 -1.876 0.119 3.696 1.00 61.25 H new ATOM 0 HD1 HIS A 36 0.427 1.777 1.403 1.00 31.52 H new ATOM 0 HD2 HIS A 36 0.474 -1.545 3.999 1.00 11.11 H new ATOM 0 HE1 HIS A 36 2.350 0.276 0.647 1.00 34.50 H new ATOM 583 N SER A 37 -0.786 4.198 2.128 1.00 64.55 N ATOM 584 CA SER A 37 0.125 5.261 1.700 1.00 21.51 C ATOM 585 C SER A 37 -0.044 6.593 2.457 1.00 64.45 C ATOM 586 O SER A 37 -0.889 7.378 2.031 1.00 45.12 O ATOM 587 CB SER A 37 0.030 5.454 0.182 1.00 11.32 C ATOM 588 OG SER A 37 -1.288 5.393 -0.305 1.00 51.15 O ATOM 0 H SER A 37 -1.615 4.158 1.535 1.00 64.55 H new ATOM 0 HA SER A 37 1.129 4.927 1.961 1.00 21.51 H new ATOM 0 HB2 SER A 37 0.463 6.419 -0.082 1.00 11.32 H new ATOM 0 HB3 SER A 37 0.629 4.689 -0.313 1.00 11.32 H new ATOM 0 HG SER A 37 -1.413 6.076 -0.997 1.00 51.15 H new ATOM 594 N PRO A 38 0.617 6.864 3.594 1.00 5.14 N ATOM 595 CA PRO A 38 0.488 8.153 4.263 1.00 3.30 C ATOM 596 C PRO A 38 0.876 9.287 3.296 1.00 12.42 C ATOM 597 O PRO A 38 1.982 9.304 2.745 1.00 10.02 O ATOM 598 CB PRO A 38 1.407 8.065 5.484 1.00 41.41 C ATOM 599 CG PRO A 38 2.531 7.147 5.017 1.00 41.33 C ATOM 600 CD PRO A 38 1.809 6.183 4.076 1.00 32.32 C ATOM 0 HA PRO A 38 -0.532 8.375 4.576 1.00 3.30 H new ATOM 0 HB2 PRO A 38 1.784 9.046 5.774 1.00 41.41 H new ATOM 0 HB3 PRO A 38 0.887 7.655 6.349 1.00 41.41 H new ATOM 0 HG2 PRO A 38 3.318 7.700 4.504 1.00 41.33 H new ATOM 0 HG3 PRO A 38 3.000 6.624 5.851 1.00 41.33 H new ATOM 0 HD2 PRO A 38 2.454 5.902 3.244 1.00 32.32 H new ATOM 0 HD3 PRO A 38 1.543 5.264 4.597 1.00 32.32 H new ATOM 608 N SER A 39 -0.054 10.205 3.025 1.00 41.35 N ATOM 609 CA SER A 39 0.243 11.468 2.377 1.00 24.44 C ATOM 610 C SER A 39 1.121 12.270 3.339 1.00 61.52 C ATOM 611 O SER A 39 0.766 12.433 4.504 1.00 42.32 O ATOM 612 CB SER A 39 -1.054 12.218 2.083 1.00 10.03 C ATOM 613 OG SER A 39 -2.063 11.389 1.525 1.00 41.51 O ATOM 0 H SER A 39 -1.041 10.084 3.254 1.00 41.35 H new ATOM 0 HA SER A 39 0.758 11.313 1.429 1.00 24.44 H new ATOM 0 HB2 SER A 39 -1.427 12.663 3.006 1.00 10.03 H new ATOM 0 HB3 SER A 39 -0.845 13.038 1.396 1.00 10.03 H new ATOM 0 HG SER A 39 -2.869 11.921 1.360 1.00 41.51 H new ATOM 736 N VAL A 49 -8.284 9.238 5.911 1.00 64.24 N ATOM 737 CA VAL A 49 -8.681 9.187 4.517 1.00 24.13 C ATOM 738 C VAL A 49 -9.275 7.795 4.266 1.00 34.41 C ATOM 739 O VAL A 49 -9.083 6.865 5.055 1.00 32.42 O ATOM 740 CB VAL A 49 -7.444 9.510 3.644 1.00 25.25 C ATOM 741 CG1 VAL A 49 -7.797 9.773 2.173 1.00 61.01 C ATOM 742 CG2 VAL A 49 -6.695 10.747 4.170 1.00 24.13 C ATOM 0 HA VAL A 49 -9.442 9.923 4.258 1.00 24.13 H new ATOM 0 HB VAL A 49 -6.816 8.621 3.705 1.00 25.25 H new ATOM 0 HG11 VAL A 49 -6.887 9.993 1.614 1.00 61.01 H new ATOM 0 HG12 VAL A 49 -8.277 8.890 1.751 1.00 61.01 H new ATOM 0 HG13 VAL A 49 -8.477 10.622 2.108 1.00 61.01 H new ATOM 0 HG21 VAL A 49 -5.832 10.947 3.535 1.00 24.13 H new ATOM 0 HG22 VAL A 49 -7.362 11.609 4.157 1.00 24.13 H new ATOM 0 HG23 VAL A 49 -6.360 10.563 5.191 1.00 24.13 H new ATOM 752 N LEU A 50 -9.977 7.620 3.152 1.00 64.02 N ATOM 753 CA LEU A 50 -10.494 6.366 2.661 1.00 32.44 C ATOM 754 C LEU A 50 -10.037 6.255 1.216 1.00 71.00 C ATOM 755 O LEU A 50 -9.915 7.270 0.523 1.00 71.02 O ATOM 756 CB LEU A 50 -12.020 6.395 2.757 1.00 1.42 C ATOM 757 CG LEU A 50 -12.661 5.063 3.136 1.00 73.11 C ATOM 758 CD1 LEU A 50 -12.214 3.893 2.287 1.00 43.25 C ATOM 759 CD2 LEU A 50 -12.416 4.715 4.597 1.00 11.13 C ATOM 0 H LEU A 50 -10.209 8.401 2.538 1.00 64.02 H new ATOM 0 HA LEU A 50 -10.139 5.511 3.236 1.00 32.44 H new ATOM 0 HB2 LEU A 50 -12.310 7.145 3.493 1.00 1.42 H new ATOM 0 HB3 LEU A 50 -12.425 6.717 1.798 1.00 1.42 H new ATOM 0 HG LEU A 50 -13.724 5.220 2.953 1.00 73.11 H new ATOM 0 HD11 LEU A 50 -12.717 2.986 2.623 1.00 43.25 H new ATOM 0 HD12 LEU A 50 -12.467 4.083 1.244 1.00 43.25 H new ATOM 0 HD13 LEU A 50 -11.136 3.766 2.382 1.00 43.25 H new ATOM 0 HD21 LEU A 50 -12.888 3.760 4.828 1.00 11.13 H new ATOM 0 HD22 LEU A 50 -11.344 4.643 4.779 1.00 11.13 H new ATOM 0 HD23 LEU A 50 -12.841 5.492 5.232 1.00 11.13 H new ATOM 771 N GLN A 51 -9.766 5.038 0.757 1.00 70.02 N ATOM 772 CA GLN A 51 -9.117 4.808 -0.528 1.00 61.03 C ATOM 773 C GLN A 51 -9.903 3.757 -1.307 1.00 70.41 C ATOM 774 O GLN A 51 -9.416 2.686 -1.674 1.00 63.22 O ATOM 775 CB GLN A 51 -7.604 4.511 -0.407 1.00 30.21 C ATOM 776 CG GLN A 51 -6.904 5.059 0.849 1.00 65.15 C ATOM 777 CD GLN A 51 -7.392 4.338 2.110 1.00 70.11 C ATOM 778 OE1 GLN A 51 -7.788 3.180 2.090 1.00 33.24 O ATOM 779 NE2 GLN A 51 -7.559 5.063 3.193 1.00 5.11 N ATOM 0 H GLN A 51 -9.990 4.183 1.266 1.00 70.02 H new ATOM 0 HA GLN A 51 -9.140 5.734 -1.103 1.00 61.03 H new ATOM 0 HB2 GLN A 51 -7.463 3.430 -0.434 1.00 30.21 H new ATOM 0 HB3 GLN A 51 -7.103 4.920 -1.285 1.00 30.21 H new ATOM 0 HG2 GLN A 51 -5.825 4.937 0.751 1.00 65.15 H new ATOM 0 HG3 GLN A 51 -7.097 6.128 0.940 1.00 65.15 H new ATOM 0 HE21 GLN A 51 -7.231 6.029 3.216 1.00 5.11 H new ATOM 0 HE22 GLN A 51 -8.016 4.660 4.011 1.00 5.11 H new ATOM 788 N TYR A 52 -11.182 4.054 -1.506 1.00 10.51 N ATOM 789 CA TYR A 52 -12.057 3.284 -2.371 1.00 2.14 C ATOM 790 C TYR A 52 -11.814 3.687 -3.823 1.00 63.13 C ATOM 791 O TYR A 52 -11.100 4.650 -4.108 1.00 10.50 O ATOM 792 CB TYR A 52 -13.516 3.528 -1.995 1.00 25.41 C ATOM 793 CG TYR A 52 -13.994 4.936 -2.251 1.00 32.14 C ATOM 794 CD1 TYR A 52 -13.698 5.990 -1.363 1.00 12.33 C ATOM 795 CD2 TYR A 52 -14.750 5.174 -3.411 1.00 5.51 C ATOM 796 CE1 TYR A 52 -14.243 7.267 -1.598 1.00 42.12 C ATOM 797 CE2 TYR A 52 -15.242 6.454 -3.677 1.00 54.20 C ATOM 798 CZ TYR A 52 -15.001 7.508 -2.768 1.00 41.50 C ATOM 799 OH TYR A 52 -15.486 8.753 -3.027 1.00 63.43 O ATOM 0 H TYR A 52 -11.643 4.849 -1.063 1.00 10.51 H new ATOM 0 HA TYR A 52 -11.841 2.222 -2.250 1.00 2.14 H new ATOM 0 HB2 TYR A 52 -14.144 2.836 -2.555 1.00 25.41 H new ATOM 0 HB3 TYR A 52 -13.651 3.297 -0.938 1.00 25.41 H new ATOM 0 HD1 TYR A 52 -13.059 5.820 -0.510 1.00 12.33 H new ATOM 0 HD2 TYR A 52 -14.951 4.366 -4.098 1.00 5.51 H new ATOM 0 HE1 TYR A 52 -14.082 8.062 -0.885 1.00 42.12 H new ATOM 0 HE2 TYR A 52 -15.807 6.638 -4.579 1.00 54.20 H new ATOM 0 HH TYR A 52 -15.983 8.741 -3.872 1.00 63.43 H new ATOM 809 N GLY A 53 -12.467 2.977 -4.737 1.00 1.44 N ATOM 810 CA GLY A 53 -12.449 3.298 -6.155 1.00 1.31 C ATOM 811 C GLY A 53 -11.097 2.990 -6.794 1.00 13.52 C ATOM 812 O GLY A 53 -10.774 3.587 -7.821 1.00 43.22 O ATOM 0 H GLY A 53 -13.028 2.156 -4.510 1.00 1.44 H new ATOM 0 HA2 GLY A 53 -13.228 2.732 -6.665 1.00 1.31 H new ATOM 0 HA3 GLY A 53 -12.682 4.354 -6.291 1.00 1.31 H new ATOM 816 N LYS A 54 -10.289 2.116 -6.181 1.00 11.22 N ATOM 817 CA LYS A 54 -8.936 1.758 -6.597 1.00 41.53 C ATOM 818 C LYS A 54 -8.749 0.245 -6.486 1.00 42.34 C ATOM 819 O LYS A 54 -7.716 -0.200 -5.992 1.00 62.41 O ATOM 820 CB LYS A 54 -7.887 2.528 -5.757 1.00 1.44 C ATOM 821 CG LYS A 54 -8.046 4.055 -5.729 1.00 61.23 C ATOM 822 CD LYS A 54 -7.840 4.719 -7.094 1.00 52.52 C ATOM 823 CE LYS A 54 -8.657 6.014 -7.172 1.00 53.53 C ATOM 824 NZ LYS A 54 -8.174 6.917 -8.237 1.00 14.22 N ATOM 0 H LYS A 54 -10.580 1.617 -5.340 1.00 11.22 H new ATOM 0 HA LYS A 54 -8.789 2.044 -7.638 1.00 41.53 H new ATOM 0 HB2 LYS A 54 -7.927 2.158 -4.732 1.00 1.44 H new ATOM 0 HB3 LYS A 54 -6.895 2.292 -6.143 1.00 1.44 H new ATOM 0 HG2 LYS A 54 -9.042 4.301 -5.361 1.00 61.23 H new ATOM 0 HG3 LYS A 54 -7.332 4.473 -5.020 1.00 61.23 H new ATOM 0 HD2 LYS A 54 -6.783 4.936 -7.247 1.00 52.52 H new ATOM 0 HD3 LYS A 54 -8.144 4.038 -7.889 1.00 52.52 H new ATOM 0 HE2 LYS A 54 -9.704 5.770 -7.352 1.00 53.53 H new ATOM 0 HE3 LYS A 54 -8.610 6.529 -6.213 1.00 53.53 H new ATOM 0 HZ1 LYS A 54 -8.868 7.676 -8.390 1.00 14.22 H new ATOM 0 HZ2 LYS A 54 -7.263 7.332 -7.954 1.00 14.22 H new ATOM 0 HZ3 LYS A 54 -8.050 6.379 -9.118 1.00 14.22 H new ATOM 838 N LEU A 55 -9.734 -0.557 -6.891 1.00 72.04 N ATOM 839 CA LEU A 55 -9.533 -1.975 -7.191 1.00 32.40 C ATOM 840 C LEU A 55 -8.646 -2.078 -8.432 1.00 75.13 C ATOM 841 O LEU A 55 -7.637 -2.774 -8.441 1.00 71.34 O ATOM 842 CB LEU A 55 -10.878 -2.690 -7.475 1.00 34.33 C ATOM 843 CG LEU A 55 -11.070 -4.034 -6.753 1.00 40.12 C ATOM 844 CD1 LEU A 55 -12.408 -4.639 -7.189 1.00 62.25 C ATOM 845 CD2 LEU A 55 -9.959 -5.041 -7.019 1.00 42.42 C ATOM 0 H LEU A 55 -10.695 -0.241 -7.021 1.00 72.04 H new ATOM 0 HA LEU A 55 -9.069 -2.455 -6.329 1.00 32.40 H new ATOM 0 HB2 LEU A 55 -11.692 -2.024 -7.191 1.00 34.33 H new ATOM 0 HB3 LEU A 55 -10.963 -2.857 -8.549 1.00 34.33 H new ATOM 0 HG LEU A 55 -11.048 -3.824 -5.684 1.00 40.12 H new ATOM 0 HD11 LEU A 55 -12.557 -5.593 -6.684 1.00 62.25 H new ATOM 0 HD12 LEU A 55 -13.218 -3.959 -6.926 1.00 62.25 H new ATOM 0 HD13 LEU A 55 -12.402 -4.796 -8.268 1.00 62.25 H new ATOM 0 HD21 LEU A 55 -10.166 -5.963 -6.475 1.00 42.42 H new ATOM 0 HD22 LEU A 55 -9.908 -5.253 -8.087 1.00 42.42 H new ATOM 0 HD23 LEU A 55 -9.007 -4.629 -6.685 1.00 42.42 H new ATOM 857 N ASN A 56 -9.054 -1.372 -9.495 1.00 31.42 N ATOM 858 CA ASN A 56 -8.556 -1.553 -10.859 1.00 31.14 C ATOM 859 C ASN A 56 -7.085 -1.144 -10.995 1.00 14.14 C ATOM 860 O ASN A 56 -6.411 -1.591 -11.925 1.00 21.42 O ATOM 861 CB ASN A 56 -9.357 -0.686 -11.851 1.00 42.32 C ATOM 862 CG ASN A 56 -10.836 -0.998 -12.080 1.00 63.33 C ATOM 863 OD1 ASN A 56 -11.417 -0.483 -13.029 1.00 75.24 O ATOM 864 ND2 ASN A 56 -11.497 -1.806 -11.272 1.00 2.40 N ATOM 0 H ASN A 56 -9.760 -0.639 -9.424 1.00 31.42 H new ATOM 0 HA ASN A 56 -8.667 -2.614 -11.082 1.00 31.14 H new ATOM 0 HB2 ASN A 56 -9.287 0.349 -11.515 1.00 42.32 H new ATOM 0 HB3 ASN A 56 -8.855 -0.742 -12.817 1.00 42.32 H new ATOM 0 HD21 ASN A 56 -12.485 -1.998 -11.439 1.00 2.40 H new ATOM 0 HD22 ASN A 56 -11.020 -2.238 -10.481 1.00 2.40 H new ATOM 871 N VAL A 57 -6.617 -0.259 -10.108 1.00 13.42 N ATOM 872 CA VAL A 57 -5.307 0.383 -10.119 1.00 74.45 C ATOM 873 C VAL A 57 -4.181 -0.623 -10.313 1.00 53.23 C ATOM 874 O VAL A 57 -4.272 -1.785 -9.900 1.00 63.11 O ATOM 875 CB VAL A 57 -5.147 1.218 -8.834 1.00 10.52 C ATOM 876 CG1 VAL A 57 -5.026 0.326 -7.588 1.00 33.42 C ATOM 877 CG2 VAL A 57 -3.934 2.154 -8.922 1.00 64.25 C ATOM 0 H VAL A 57 -7.182 0.044 -9.315 1.00 13.42 H new ATOM 0 HA VAL A 57 -5.242 1.054 -10.976 1.00 74.45 H new ATOM 0 HB VAL A 57 -6.049 1.822 -8.739 1.00 10.52 H new ATOM 0 HG11 VAL A 57 -4.915 0.951 -6.702 1.00 33.42 H new ATOM 0 HG12 VAL A 57 -5.923 -0.286 -7.490 1.00 33.42 H new ATOM 0 HG13 VAL A 57 -4.155 -0.321 -7.687 1.00 33.42 H new ATOM 0 HG21 VAL A 57 -3.850 2.728 -7.999 1.00 64.25 H new ATOM 0 HG22 VAL A 57 -3.029 1.564 -9.066 1.00 64.25 H new ATOM 0 HG23 VAL A 57 -4.060 2.835 -9.763 1.00 64.25 H new ATOM 887 N GLY A 58 -3.080 -0.151 -10.897 1.00 10.22 N ATOM 888 CA GLY A 58 -2.047 -1.038 -11.359 1.00 62.31 C ATOM 889 C GLY A 58 -0.705 -0.357 -11.477 1.00 34.00 C ATOM 890 O GLY A 58 0.087 -0.747 -12.326 1.00 15.53 O ATOM 0 H GLY A 58 -2.893 0.839 -11.055 1.00 10.22 H new ATOM 0 HA2 GLY A 58 -1.963 -1.881 -10.673 1.00 62.31 H new ATOM 0 HA3 GLY A 58 -2.330 -1.445 -12.330 1.00 62.31 H new ATOM 894 N LEU A 59 -0.456 0.613 -10.597 1.00 4.54 N ATOM 895 CA LEU A 59 0.843 1.193 -10.288 1.00 24.42 C ATOM 896 C LEU A 59 1.617 1.686 -11.511 1.00 73.11 C ATOM 897 O LEU A 59 1.137 1.697 -12.643 1.00 41.21 O ATOM 898 CB LEU A 59 1.566 0.168 -9.391 1.00 64.34 C ATOM 899 CG LEU A 59 2.309 0.834 -8.223 1.00 23.24 C ATOM 900 CD1 LEU A 59 1.985 0.208 -6.887 1.00 21.02 C ATOM 901 CD2 LEU A 59 3.821 0.849 -8.376 1.00 22.14 C ATOM 0 H LEU A 59 -1.204 1.038 -10.050 1.00 4.54 H new ATOM 0 HA LEU A 59 0.738 2.131 -9.743 1.00 24.42 H new ATOM 0 HB2 LEU A 59 0.839 -0.543 -8.998 1.00 64.34 H new ATOM 0 HB3 LEU A 59 2.275 -0.401 -9.992 1.00 64.34 H new ATOM 0 HG LEU A 59 1.945 1.861 -8.252 1.00 23.24 H new ATOM 0 HD11 LEU A 59 2.540 0.721 -6.101 1.00 21.02 H new ATOM 0 HD12 LEU A 59 0.916 0.296 -6.694 1.00 21.02 H new ATOM 0 HD13 LEU A 59 2.265 -0.845 -6.901 1.00 21.02 H new ATOM 0 HD21 LEU A 59 4.269 1.336 -7.510 1.00 22.14 H new ATOM 0 HD22 LEU A 59 4.190 -0.174 -8.448 1.00 22.14 H new ATOM 0 HD23 LEU A 59 4.090 1.396 -9.280 1.00 22.14 H new ATOM 913 N VAL A 60 2.779 2.255 -11.244 1.00 11.34 N ATOM 914 CA VAL A 60 3.574 2.977 -12.226 1.00 70.14 C ATOM 915 C VAL A 60 5.054 2.846 -11.885 1.00 52.51 C ATOM 916 O VAL A 60 5.884 2.721 -12.790 1.00 5.42 O ATOM 917 CB VAL A 60 3.128 4.452 -12.325 1.00 14.32 C ATOM 918 CG1 VAL A 60 1.982 4.644 -13.324 1.00 41.33 C ATOM 919 CG2 VAL A 60 2.675 5.009 -10.975 1.00 51.45 C ATOM 0 H VAL A 60 3.207 2.228 -10.319 1.00 11.34 H new ATOM 0 HA VAL A 60 3.414 2.537 -13.210 1.00 70.14 H new ATOM 0 HB VAL A 60 4.008 4.995 -12.669 1.00 14.32 H new ATOM 0 HG11 VAL A 60 1.703 5.697 -13.359 1.00 41.33 H new ATOM 0 HG12 VAL A 60 2.304 4.321 -14.314 1.00 41.33 H new ATOM 0 HG13 VAL A 60 1.123 4.051 -13.010 1.00 41.33 H new ATOM 0 HG21 VAL A 60 2.371 6.049 -11.094 1.00 51.45 H new ATOM 0 HG22 VAL A 60 1.833 4.425 -10.604 1.00 51.45 H new ATOM 0 HG23 VAL A 60 3.498 4.951 -10.263 1.00 51.45 H new ATOM 929 N GLY A 61 5.402 2.799 -10.598 1.00 72.02 N ATOM 930 CA GLY A 61 6.783 2.520 -10.217 1.00 21.12 C ATOM 931 C GLY A 61 7.205 3.042 -8.878 1.00 43.53 C ATOM 932 O GLY A 61 6.405 3.394 -8.017 1.00 12.34 O ATOM 0 H GLY A 61 4.761 2.947 -9.819 1.00 72.02 H new ATOM 0 HA2 GLY A 61 6.933 1.440 -10.229 1.00 21.12 H new ATOM 0 HA3 GLY A 61 7.442 2.942 -10.975 1.00 21.12 H new ATOM 936 N VAL A 62 8.506 2.892 -8.705 1.00 71.22 N ATOM 937 CA VAL A 62 9.235 2.930 -7.482 1.00 64.21 C ATOM 938 C VAL A 62 10.681 3.288 -7.826 1.00 54.11 C ATOM 939 O VAL A 62 11.288 2.628 -8.683 1.00 70.31 O ATOM 940 CB VAL A 62 9.141 1.551 -6.818 1.00 32.33 C ATOM 941 CG1 VAL A 62 7.895 1.386 -5.958 1.00 3.32 C ATOM 942 CG2 VAL A 62 9.231 0.316 -7.710 1.00 12.14 C ATOM 0 H VAL A 62 9.122 2.726 -9.501 1.00 71.22 H new ATOM 0 HA VAL A 62 8.837 3.669 -6.787 1.00 64.21 H new ATOM 0 HB VAL A 62 10.055 1.575 -6.225 1.00 32.33 H new ATOM 0 HG11 VAL A 62 7.887 0.390 -5.516 1.00 3.32 H new ATOM 0 HG12 VAL A 62 7.898 2.134 -5.165 1.00 3.32 H new ATOM 0 HG13 VAL A 62 7.007 1.516 -6.576 1.00 3.32 H new ATOM 0 HG21 VAL A 62 9.149 -0.582 -7.098 1.00 12.14 H new ATOM 0 HG22 VAL A 62 8.421 0.334 -8.439 1.00 12.14 H new ATOM 0 HG23 VAL A 62 10.188 0.313 -8.232 1.00 12.14 H new ATOM 952 N GLU A 63 11.222 4.331 -7.193 1.00 22.31 N ATOM 953 CA GLU A 63 12.607 4.768 -7.358 1.00 33.14 C ATOM 954 C GLU A 63 13.175 5.209 -5.994 1.00 61.52 C ATOM 955 O GLU A 63 12.413 5.502 -5.074 1.00 74.21 O ATOM 956 CB GLU A 63 12.690 5.852 -8.461 1.00 30.31 C ATOM 957 CG GLU A 63 12.383 5.217 -9.830 1.00 45.45 C ATOM 958 CD GLU A 63 12.851 6.000 -11.052 1.00 10.51 C ATOM 959 OE1 GLU A 63 12.622 7.230 -11.130 1.00 70.34 O ATOM 960 OE2 GLU A 63 13.370 5.356 -11.997 1.00 54.21 O ATOM 0 H GLU A 63 10.696 4.908 -6.537 1.00 22.31 H new ATOM 0 HA GLU A 63 13.236 3.946 -7.699 1.00 33.14 H new ATOM 0 HB2 GLU A 63 11.981 6.653 -8.253 1.00 30.31 H new ATOM 0 HB3 GLU A 63 13.683 6.300 -8.471 1.00 30.31 H new ATOM 0 HG2 GLU A 63 12.841 4.228 -9.860 1.00 45.45 H new ATOM 0 HG3 GLU A 63 11.305 5.072 -9.907 1.00 45.45 H new ATOM 967 N PRO A 64 14.503 5.207 -5.805 1.00 63.11 N ATOM 968 CA PRO A 64 15.108 5.296 -4.478 1.00 54.11 C ATOM 969 C PRO A 64 15.068 6.724 -3.915 1.00 5.20 C ATOM 970 O PRO A 64 15.783 7.587 -4.429 1.00 44.23 O ATOM 971 CB PRO A 64 16.540 4.774 -4.665 1.00 53.41 C ATOM 972 CG PRO A 64 16.844 5.062 -6.132 1.00 70.41 C ATOM 973 CD PRO A 64 15.499 4.850 -6.803 1.00 71.43 C ATOM 0 HA PRO A 64 14.561 4.708 -3.741 1.00 54.11 H new ATOM 0 HB2 PRO A 64 17.241 5.283 -4.004 1.00 53.41 H new ATOM 0 HB3 PRO A 64 16.610 3.709 -4.444 1.00 53.41 H new ATOM 0 HG2 PRO A 64 17.212 6.078 -6.277 1.00 70.41 H new ATOM 0 HG3 PRO A 64 17.604 4.388 -6.527 1.00 70.41 H new ATOM 0 HD2 PRO A 64 15.403 5.472 -7.693 1.00 71.43 H new ATOM 0 HD3 PRO A 64 15.380 3.815 -7.123 1.00 71.43 H new ATOM 981 N ALA A 65 14.295 6.988 -2.848 1.00 53.24 N ATOM 982 CA ALA A 65 14.185 8.309 -2.208 1.00 10.11 C ATOM 983 C ALA A 65 15.248 8.553 -1.127 1.00 2.24 C ATOM 984 O ALA A 65 14.979 9.198 -0.106 1.00 3.32 O ATOM 985 CB ALA A 65 12.778 8.537 -1.640 1.00 1.22 C ATOM 0 H ALA A 65 13.719 6.276 -2.398 1.00 53.24 H new ATOM 0 HA ALA A 65 14.370 9.037 -2.997 1.00 10.11 H new ATOM 0 HB1 ALA A 65 12.729 9.521 -1.174 1.00 1.22 H new ATOM 0 HB2 ALA A 65 12.047 8.480 -2.446 1.00 1.22 H new ATOM 0 HB3 ALA A 65 12.558 7.772 -0.896 1.00 1.22 H new ATOM 991 N GLY A 66 16.460 8.052 -1.343 1.00 5.42 N ATOM 992 CA GLY A 66 17.596 8.292 -0.466 1.00 72.55 C ATOM 993 C GLY A 66 18.056 7.020 0.228 1.00 5.02 C ATOM 994 O GLY A 66 17.742 5.908 -0.187 1.00 11.41 O ATOM 0 H GLY A 66 16.682 7.460 -2.144 1.00 5.42 H new ATOM 0 HA2 GLY A 66 18.420 8.708 -1.045 1.00 72.55 H new ATOM 0 HA3 GLY A 66 17.325 9.036 0.283 1.00 72.55 H new ATOM 998 N GLN A 67 18.822 7.168 1.302 1.00 14.21 N ATOM 999 CA GLN A 67 19.528 6.092 1.980 1.00 72.15 C ATOM 1000 C GLN A 67 18.649 5.481 3.084 1.00 61.32 C ATOM 1001 O GLN A 67 19.156 4.733 3.928 1.00 63.25 O ATOM 1002 CB GLN A 67 20.843 6.660 2.546 1.00 21.10 C ATOM 1003 CG GLN A 67 21.762 7.372 1.536 1.00 30.50 C ATOM 1004 CD GLN A 67 22.653 6.421 0.735 1.00 23.44 C ATOM 1005 OE1 GLN A 67 23.869 6.385 0.927 1.00 70.31 O ATOM 1006 NE2 GLN A 67 22.113 5.661 -0.205 1.00 63.13 N ATOM 0 H GLN A 67 18.973 8.077 1.740 1.00 14.21 H new ATOM 0 HA GLN A 67 19.758 5.288 1.280 1.00 72.15 H new ATOM 0 HB2 GLN A 67 20.599 7.363 3.343 1.00 21.10 H new ATOM 0 HB3 GLN A 67 21.402 5.843 3.002 1.00 21.10 H new ATOM 0 HG2 GLN A 67 21.148 7.949 0.844 1.00 30.50 H new ATOM 0 HG3 GLN A 67 22.393 8.082 2.071 1.00 30.50 H new ATOM 0 HE21 GLN A 67 21.106 5.688 -0.367 1.00 63.13 H new ATOM 0 HE22 GLN A 67 22.704 5.048 -0.767 1.00 63.13 H new ATOM 1015 N TYR A 68 17.363 5.851 3.127 1.00 31.44 N ATOM 1016 CA TYR A 68 16.452 5.531 4.221 1.00 32.23 C ATOM 1017 C TYR A 68 14.966 5.453 3.823 1.00 33.42 C ATOM 1018 O TYR A 68 14.141 5.073 4.661 1.00 44.35 O ATOM 1019 CB TYR A 68 16.672 6.532 5.361 1.00 64.45 C ATOM 1020 CG TYR A 68 16.850 7.977 4.953 1.00 65.44 C ATOM 1021 CD1 TYR A 68 15.738 8.771 4.625 1.00 50.15 C ATOM 1022 CD2 TYR A 68 18.146 8.518 4.893 1.00 52.01 C ATOM 1023 CE1 TYR A 68 15.926 10.101 4.214 1.00 50.13 C ATOM 1024 CE2 TYR A 68 18.340 9.847 4.489 1.00 62.15 C ATOM 1025 CZ TYR A 68 17.229 10.641 4.134 1.00 74.31 C ATOM 1026 OH TYR A 68 17.401 11.920 3.719 1.00 42.01 O ATOM 0 H TYR A 68 16.922 6.393 2.384 1.00 31.44 H new ATOM 0 HA TYR A 68 16.694 4.519 4.547 1.00 32.23 H new ATOM 0 HB2 TYR A 68 15.822 6.470 6.041 1.00 64.45 H new ATOM 0 HB3 TYR A 68 17.553 6.223 5.923 1.00 64.45 H new ATOM 0 HD1 TYR A 68 14.741 8.360 4.689 1.00 50.15 H new ATOM 0 HD2 TYR A 68 18.996 7.908 5.159 1.00 52.01 H new ATOM 0 HE1 TYR A 68 15.073 10.712 3.959 1.00 50.13 H new ATOM 0 HE2 TYR A 68 19.337 10.261 4.450 1.00 62.15 H new ATOM 0 HH TYR A 68 18.356 12.139 3.721 1.00 42.01 H new ATOM 1036 N ALA A 69 14.585 5.809 2.590 1.00 41.04 N ATOM 1037 CA ALA A 69 13.191 5.801 2.153 1.00 1.44 C ATOM 1038 C ALA A 69 13.120 5.519 0.655 1.00 22.31 C ATOM 1039 O ALA A 69 14.136 5.576 -0.036 1.00 2.04 O ATOM 1040 CB ALA A 69 12.535 7.150 2.494 1.00 13.21 C ATOM 0 H ALA A 69 15.240 6.111 1.868 1.00 41.04 H new ATOM 0 HA ALA A 69 12.647 5.013 2.674 1.00 1.44 H new ATOM 0 HB1 ALA A 69 11.495 7.142 2.167 1.00 13.21 H new ATOM 0 HB2 ALA A 69 12.576 7.312 3.571 1.00 13.21 H new ATOM 0 HB3 ALA A 69 13.069 7.953 1.986 1.00 13.21 H new ATOM 1046 N LEU A 70 11.920 5.263 0.142 1.00 44.21 N ATOM 1047 CA LEU A 70 11.633 4.818 -1.216 1.00 30.54 C ATOM 1048 C LEU A 70 10.548 5.742 -1.781 1.00 51.04 C ATOM 1049 O LEU A 70 9.548 5.993 -1.102 1.00 10.44 O ATOM 1050 CB LEU A 70 11.121 3.372 -1.116 1.00 5.12 C ATOM 1051 CG LEU A 70 11.251 2.520 -2.378 1.00 42.23 C ATOM 1052 CD1 LEU A 70 10.338 3.007 -3.493 1.00 43.25 C ATOM 1053 CD2 LEU A 70 12.698 2.412 -2.874 1.00 65.21 C ATOM 0 H LEU A 70 11.071 5.367 0.698 1.00 44.21 H new ATOM 0 HA LEU A 70 12.507 4.852 -1.867 1.00 30.54 H new ATOM 0 HB2 LEU A 70 11.659 2.873 -0.310 1.00 5.12 H new ATOM 0 HB3 LEU A 70 10.070 3.400 -0.829 1.00 5.12 H new ATOM 0 HG LEU A 70 10.930 1.518 -2.092 1.00 42.23 H new ATOM 0 HD11 LEU A 70 10.464 2.372 -4.370 1.00 43.25 H new ATOM 0 HD12 LEU A 70 9.301 2.964 -3.159 1.00 43.25 H new ATOM 0 HD13 LEU A 70 10.594 4.035 -3.750 1.00 43.25 H new ATOM 0 HD21 LEU A 70 12.730 1.796 -3.772 1.00 65.21 H new ATOM 0 HD22 LEU A 70 13.079 3.407 -3.103 1.00 65.21 H new ATOM 0 HD23 LEU A 70 13.315 1.956 -2.100 1.00 65.21 H new ATOM 1065 N LYS A 71 10.716 6.263 -2.997 1.00 64.14 N ATOM 1066 CA LYS A 71 9.693 7.031 -3.693 1.00 70.52 C ATOM 1067 C LYS A 71 8.746 6.044 -4.368 1.00 13.24 C ATOM 1068 O LYS A 71 9.134 5.409 -5.344 1.00 65.24 O ATOM 1069 CB LYS A 71 10.326 7.966 -4.737 1.00 61.42 C ATOM 1070 CG LYS A 71 9.386 9.131 -5.051 1.00 13.01 C ATOM 1071 CD LYS A 71 9.639 10.274 -4.066 1.00 5.03 C ATOM 1072 CE LYS A 71 8.675 11.443 -4.280 1.00 1.14 C ATOM 1073 NZ LYS A 71 9.065 12.276 -5.435 1.00 14.03 N ATOM 0 H LYS A 71 11.580 6.160 -3.530 1.00 64.14 H new ATOM 0 HA LYS A 71 9.149 7.655 -2.984 1.00 70.52 H new ATOM 0 HB2 LYS A 71 11.276 8.348 -4.364 1.00 61.42 H new ATOM 0 HB3 LYS A 71 10.542 7.409 -5.649 1.00 61.42 H new ATOM 0 HG2 LYS A 71 9.546 9.476 -6.073 1.00 13.01 H new ATOM 0 HG3 LYS A 71 8.349 8.803 -4.984 1.00 13.01 H new ATOM 0 HD2 LYS A 71 9.537 9.902 -3.046 1.00 5.03 H new ATOM 0 HD3 LYS A 71 10.665 10.626 -4.176 1.00 5.03 H new ATOM 0 HE2 LYS A 71 7.667 11.058 -4.434 1.00 1.14 H new ATOM 0 HE3 LYS A 71 8.647 12.059 -3.381 1.00 1.14 H new ATOM 0 HZ1 LYS A 71 8.386 13.056 -5.545 1.00 14.03 H new ATOM 0 HZ2 LYS A 71 10.017 12.665 -5.277 1.00 14.03 H new ATOM 0 HZ3 LYS A 71 9.067 11.695 -6.297 1.00 14.03 H new ATOM 1087 N LEU A 72 7.545 5.853 -3.830 1.00 12.30 N ATOM 1088 CA LEU A 72 6.499 5.055 -4.466 1.00 42.53 C ATOM 1089 C LEU A 72 5.651 5.955 -5.361 1.00 51.34 C ATOM 1090 O LEU A 72 5.596 7.170 -5.121 1.00 73.35 O ATOM 1091 CB LEU A 72 5.636 4.379 -3.385 1.00 74.13 C ATOM 1092 CG LEU A 72 5.761 2.850 -3.407 1.00 14.21 C ATOM 1093 CD1 LEU A 72 5.170 2.233 -2.143 1.00 1.30 C ATOM 1094 CD2 LEU A 72 5.074 2.238 -4.628 1.00 73.14 C ATOM 0 H LEU A 72 7.267 6.251 -2.933 1.00 12.30 H new ATOM 0 HA LEU A 72 6.947 4.276 -5.083 1.00 42.53 H new ATOM 0 HB2 LEU A 72 5.931 4.751 -2.404 1.00 74.13 H new ATOM 0 HB3 LEU A 72 4.592 4.657 -3.531 1.00 74.13 H new ATOM 0 HG LEU A 72 6.827 2.627 -3.458 1.00 14.21 H new ATOM 0 HD11 LEU A 72 5.272 1.149 -2.185 1.00 1.30 H new ATOM 0 HD12 LEU A 72 5.700 2.614 -1.270 1.00 1.30 H new ATOM 0 HD13 LEU A 72 4.115 2.495 -2.069 1.00 1.30 H new ATOM 0 HD21 LEU A 72 5.187 1.154 -4.604 1.00 73.14 H new ATOM 0 HD22 LEU A 72 4.014 2.493 -4.615 1.00 73.14 H new ATOM 0 HD23 LEU A 72 5.530 2.630 -5.537 1.00 73.14 H new ATOM 1106 N SER A 73 4.965 5.356 -6.336 1.00 74.11 N ATOM 1107 CA SER A 73 4.182 6.043 -7.351 1.00 2.33 C ATOM 1108 C SER A 73 2.979 5.153 -7.658 1.00 62.34 C ATOM 1109 O SER A 73 3.132 3.933 -7.731 1.00 64.05 O ATOM 1110 CB SER A 73 5.031 6.269 -8.612 1.00 45.35 C ATOM 1111 OG SER A 73 6.278 6.885 -8.343 1.00 3.34 O ATOM 0 H SER A 73 4.942 4.342 -6.440 1.00 74.11 H new ATOM 0 HA SER A 73 3.855 7.022 -7.002 1.00 2.33 H new ATOM 0 HB2 SER A 73 5.205 5.311 -9.102 1.00 45.35 H new ATOM 0 HB3 SER A 73 4.471 6.888 -9.313 1.00 45.35 H new ATOM 0 HG SER A 73 6.773 7.001 -9.181 1.00 3.34 H new ATOM 1117 N PHE A 74 1.790 5.713 -7.861 1.00 12.34 N ATOM 1118 CA PHE A 74 0.539 4.981 -7.970 1.00 73.25 C ATOM 1119 C PHE A 74 -0.356 5.641 -8.994 1.00 31.30 C ATOM 1120 O PHE A 74 -0.685 6.821 -8.899 1.00 12.31 O ATOM 1121 CB PHE A 74 -0.187 4.982 -6.626 1.00 4.11 C ATOM 1122 CG PHE A 74 0.507 4.195 -5.546 1.00 41.11 C ATOM 1123 CD1 PHE A 74 0.311 2.814 -5.490 1.00 2.31 C ATOM 1124 CD2 PHE A 74 1.330 4.813 -4.593 1.00 30.00 C ATOM 1125 CE1 PHE A 74 0.803 2.074 -4.415 1.00 72.05 C ATOM 1126 CE2 PHE A 74 1.833 4.068 -3.518 1.00 5.33 C ATOM 1127 CZ PHE A 74 1.543 2.701 -3.403 1.00 13.54 C ATOM 0 H PHE A 74 1.670 6.721 -7.957 1.00 12.34 H new ATOM 0 HA PHE A 74 0.764 3.958 -8.272 1.00 73.25 H new ATOM 0 HB2 PHE A 74 -0.304 6.012 -6.290 1.00 4.11 H new ATOM 0 HB3 PHE A 74 -1.189 4.577 -6.767 1.00 4.11 H new ATOM 0 HD1 PHE A 74 -0.225 2.315 -6.284 1.00 2.31 H new ATOM 0 HD2 PHE A 74 1.575 5.860 -4.688 1.00 30.00 H new ATOM 0 HE1 PHE A 74 0.613 1.012 -4.362 1.00 72.05 H new ATOM 0 HE2 PHE A 74 2.448 4.550 -2.773 1.00 5.33 H new ATOM 0 HZ PHE A 74 1.885 2.139 -2.547 1.00 13.54 H new ATOM 1137 N ASP A 75 -0.867 4.798 -9.888 1.00 63.41 N ATOM 1138 CA ASP A 75 -1.771 5.193 -10.967 1.00 2.33 C ATOM 1139 C ASP A 75 -3.120 5.748 -10.456 1.00 61.34 C ATOM 1140 O ASP A 75 -3.916 6.264 -11.240 1.00 50.32 O ATOM 1141 CB ASP A 75 -1.935 3.992 -11.898 1.00 32.12 C ATOM 1142 CG ASP A 75 -2.815 4.304 -13.104 1.00 23.10 C ATOM 1143 OD1 ASP A 75 -2.461 5.186 -13.909 1.00 72.45 O ATOM 1144 OD2 ASP A 75 -3.880 3.653 -13.232 1.00 70.14 O ATOM 0 H ASP A 75 -0.660 3.799 -9.883 1.00 63.41 H new ATOM 0 HA ASP A 75 -1.338 6.028 -11.518 1.00 2.33 H new ATOM 0 HB2 ASP A 75 -0.953 3.667 -12.243 1.00 32.12 H new ATOM 0 HB3 ASP A 75 -2.368 3.161 -11.341 1.00 32.12 H new ATOM 1149 N ASP A 76 -3.356 5.715 -9.135 1.00 64.12 N ATOM 1150 CA ASP A 76 -4.421 6.447 -8.445 1.00 3.34 C ATOM 1151 C ASP A 76 -4.490 7.907 -8.878 1.00 73.45 C ATOM 1152 O ASP A 76 -5.599 8.390 -9.123 1.00 11.41 O ATOM 1153 CB ASP A 76 -4.225 6.412 -6.918 1.00 24.14 C ATOM 1154 CG ASP A 76 -5.058 7.497 -6.208 1.00 5.51 C ATOM 1155 OD1 ASP A 76 -6.265 7.269 -5.942 1.00 62.13 O ATOM 1156 OD2 ASP A 76 -4.506 8.580 -5.919 1.00 63.43 O ATOM 0 H ASP A 76 -2.788 5.156 -8.498 1.00 64.12 H new ATOM 0 HA ASP A 76 -5.351 5.947 -8.717 1.00 3.34 H new ATOM 0 HB2 ASP A 76 -4.508 5.430 -6.538 1.00 24.14 H new ATOM 0 HB3 ASP A 76 -3.170 6.553 -6.684 1.00 24.14 H new ATOM 1161 N GLY A 77 -3.334 8.570 -8.954 1.00 53.55 N ATOM 1162 CA GLY A 77 -3.220 9.993 -9.203 1.00 52.42 C ATOM 1163 C GLY A 77 -2.237 10.637 -8.235 1.00 21.15 C ATOM 1164 O GLY A 77 -1.178 11.098 -8.655 1.00 3.24 O ATOM 0 H GLY A 77 -2.430 8.111 -8.840 1.00 53.55 H new ATOM 0 HA2 GLY A 77 -2.890 10.162 -10.228 1.00 52.42 H new ATOM 0 HA3 GLY A 77 -4.198 10.464 -9.101 1.00 52.42 H new ATOM 1168 N HIS A 78 -2.554 10.671 -6.935 1.00 53.24 N ATOM 1169 CA HIS A 78 -1.803 11.471 -5.955 1.00 21.44 C ATOM 1170 C HIS A 78 -0.430 10.870 -5.620 1.00 50.12 C ATOM 1171 O HIS A 78 0.316 11.429 -4.815 1.00 52.13 O ATOM 1172 CB HIS A 78 -2.639 11.640 -4.674 1.00 30.41 C ATOM 1173 CG HIS A 78 -2.158 12.739 -3.758 1.00 14.15 C ATOM 1174 ND1 HIS A 78 -1.374 12.595 -2.631 1.00 70.04 N ATOM 1175 CD2 HIS A 78 -2.431 14.070 -3.908 1.00 42.33 C ATOM 1176 CE1 HIS A 78 -1.159 13.819 -2.118 1.00 74.41 C ATOM 1177 NE2 HIS A 78 -1.818 14.745 -2.844 1.00 65.31 N ATOM 0 H HIS A 78 -3.333 10.149 -6.533 1.00 53.24 H new ATOM 0 HA HIS A 78 -1.615 12.444 -6.408 1.00 21.44 H new ATOM 0 HB2 HIS A 78 -3.673 11.842 -4.953 1.00 30.41 H new ATOM 0 HB3 HIS A 78 -2.636 10.698 -4.125 1.00 30.41 H new ATOM 0 HD2 HIS A 78 -3.012 14.519 -4.700 1.00 42.33 H new ATOM 0 HE1 HIS A 78 -0.549 14.030 -1.252 1.00 74.41 H new ATOM 0 HE2 HIS A 78 -1.862 15.746 -2.655 1.00 65.31 H new ATOM 1185 N ASP A 79 -0.099 9.721 -6.205 1.00 54.13 N ATOM 1186 CA ASP A 79 0.895 8.750 -5.777 1.00 41.34 C ATOM 1187 C ASP A 79 0.695 8.412 -4.296 1.00 65.12 C ATOM 1188 O ASP A 79 -0.074 7.504 -3.971 1.00 41.35 O ATOM 1189 CB ASP A 79 2.332 9.219 -6.090 1.00 62.33 C ATOM 1190 CG ASP A 79 2.662 9.291 -7.582 1.00 4.22 C ATOM 1191 OD1 ASP A 79 2.239 8.393 -8.344 1.00 51.33 O ATOM 1192 OD2 ASP A 79 3.411 10.208 -7.976 1.00 10.33 O ATOM 0 H ASP A 79 -0.562 9.424 -7.064 1.00 54.13 H new ATOM 0 HA ASP A 79 0.753 7.834 -6.350 1.00 41.34 H new ATOM 0 HB2 ASP A 79 2.484 10.204 -5.649 1.00 62.33 H new ATOM 0 HB3 ASP A 79 3.036 8.541 -5.607 1.00 62.33 H new ATOM 1197 N SER A 80 1.287 9.186 -3.387 1.00 54.44 N ATOM 1198 CA SER A 80 1.524 8.841 -1.992 1.00 52.52 C ATOM 1199 C SER A 80 2.257 10.017 -1.326 1.00 33.00 C ATOM 1200 O SER A 80 2.013 11.166 -1.703 1.00 61.15 O ATOM 1201 CB SER A 80 2.210 7.468 -1.878 1.00 12.22 C ATOM 1202 OG SER A 80 3.208 7.209 -2.844 1.00 74.35 O ATOM 0 H SER A 80 1.631 10.118 -3.619 1.00 54.44 H new ATOM 0 HA SER A 80 0.594 8.707 -1.440 1.00 52.52 H new ATOM 0 HB2 SER A 80 2.656 7.385 -0.887 1.00 12.22 H new ATOM 0 HB3 SER A 80 1.448 6.692 -1.950 1.00 12.22 H new ATOM 0 HG SER A 80 2.977 6.399 -3.344 1.00 74.35 H new ATOM 1208 N GLY A 81 3.039 9.788 -0.265 1.00 50.44 N ATOM 1209 CA GLY A 81 3.778 10.837 0.423 1.00 63.51 C ATOM 1210 C GLY A 81 5.176 10.397 0.817 1.00 24.40 C ATOM 1211 O GLY A 81 6.155 10.881 0.242 1.00 72.14 O ATOM 0 H GLY A 81 3.174 8.861 0.138 1.00 50.44 H new ATOM 0 HA2 GLY A 81 3.844 11.714 -0.221 1.00 63.51 H new ATOM 0 HA3 GLY A 81 3.230 11.138 1.316 1.00 63.51 H new ATOM 1215 N LEU A 82 5.280 9.507 1.809 1.00 42.45 N ATOM 1216 CA LEU A 82 6.550 8.938 2.254 1.00 33.34 C ATOM 1217 C LEU A 82 6.381 7.435 2.406 1.00 45.13 C ATOM 1218 O LEU A 82 5.292 6.963 2.732 1.00 61.21 O ATOM 1219 CB LEU A 82 7.023 9.550 3.595 1.00 34.42 C ATOM 1220 CG LEU A 82 8.435 10.167 3.585 1.00 72.34 C ATOM 1221 CD1 LEU A 82 9.523 9.193 3.108 1.00 31.14 C ATOM 1222 CD2 LEU A 82 8.483 11.457 2.764 1.00 74.52 C ATOM 0 H LEU A 82 4.474 9.160 2.329 1.00 42.45 H new ATOM 0 HA LEU A 82 7.311 9.168 1.508 1.00 33.34 H new ATOM 0 HB2 LEU A 82 6.312 10.320 3.893 1.00 34.42 H new ATOM 0 HB3 LEU A 82 6.991 8.774 4.359 1.00 34.42 H new ATOM 0 HG LEU A 82 8.654 10.404 4.626 1.00 72.34 H new ATOM 0 HD11 LEU A 82 10.492 9.692 3.126 1.00 31.14 H new ATOM 0 HD12 LEU A 82 9.550 8.326 3.768 1.00 31.14 H new ATOM 0 HD13 LEU A 82 9.301 8.869 2.091 1.00 31.14 H new ATOM 0 HD21 LEU A 82 9.495 11.862 2.781 1.00 74.52 H new ATOM 0 HD22 LEU A 82 8.195 11.244 1.735 1.00 74.52 H new ATOM 0 HD23 LEU A 82 7.794 12.186 3.191 1.00 74.52 H new ATOM 1234 N PHE A 83 7.479 6.705 2.225 1.00 34.50 N ATOM 1235 CA PHE A 83 7.581 5.283 2.488 1.00 41.35 C ATOM 1236 C PHE A 83 9.006 5.008 2.956 1.00 71.25 C ATOM 1237 O PHE A 83 9.922 4.827 2.155 1.00 41.15 O ATOM 1238 CB PHE A 83 7.198 4.482 1.242 1.00 44.04 C ATOM 1239 CG PHE A 83 5.707 4.288 1.069 1.00 14.10 C ATOM 1240 CD1 PHE A 83 5.038 3.342 1.863 1.00 61.55 C ATOM 1241 CD2 PHE A 83 4.990 5.000 0.094 1.00 14.43 C ATOM 1242 CE1 PHE A 83 3.690 3.028 1.614 1.00 10.31 C ATOM 1243 CE2 PHE A 83 3.648 4.676 -0.158 1.00 52.41 C ATOM 1244 CZ PHE A 83 3.011 3.661 0.570 1.00 25.24 C ATOM 0 H PHE A 83 8.350 7.108 1.879 1.00 34.50 H new ATOM 0 HA PHE A 83 6.887 4.970 3.267 1.00 41.35 H new ATOM 0 HB2 PHE A 83 7.593 4.989 0.361 1.00 44.04 H new ATOM 0 HB3 PHE A 83 7.678 3.505 1.289 1.00 44.04 H new ATOM 0 HD1 PHE A 83 5.562 2.852 2.670 1.00 61.55 H new ATOM 0 HD2 PHE A 83 5.469 5.794 -0.460 1.00 14.43 H new ATOM 0 HE1 PHE A 83 3.181 2.300 2.228 1.00 10.31 H new ATOM 0 HE2 PHE A 83 3.101 5.213 -0.919 1.00 52.41 H new ATOM 0 HZ PHE A 83 2.000 3.370 0.325 1.00 25.24 H new ATOM 1254 N THR A 84 9.211 5.069 4.265 1.00 11.00 N ATOM 1255 CA THR A 84 10.494 4.817 4.903 1.00 31.42 C ATOM 1256 C THR A 84 10.793 3.302 4.877 1.00 72.23 C ATOM 1257 O THR A 84 9.864 2.495 4.815 1.00 70.14 O ATOM 1258 CB THR A 84 10.419 5.411 6.321 1.00 34.32 C ATOM 1259 OG1 THR A 84 9.728 6.660 6.309 1.00 33.32 O ATOM 1260 CG2 THR A 84 11.813 5.691 6.859 1.00 12.43 C ATOM 0 H THR A 84 8.471 5.301 4.928 1.00 11.00 H new ATOM 0 HA THR A 84 11.323 5.292 4.379 1.00 31.42 H new ATOM 0 HB THR A 84 9.898 4.683 6.943 1.00 34.32 H new ATOM 0 HG1 THR A 84 9.689 7.021 7.219 1.00 33.32 H new ATOM 0 HG21 THR A 84 11.738 6.110 7.862 1.00 12.43 H new ATOM 0 HG22 THR A 84 12.382 4.762 6.895 1.00 12.43 H new ATOM 0 HG23 THR A 84 12.319 6.401 6.206 1.00 12.43 H new ATOM 1268 N TRP A 85 12.069 2.898 4.913 1.00 33.21 N ATOM 1269 CA TRP A 85 12.490 1.504 4.727 1.00 51.33 C ATOM 1270 C TRP A 85 11.889 0.529 5.740 1.00 63.42 C ATOM 1271 O TRP A 85 11.516 -0.595 5.397 1.00 5.13 O ATOM 1272 CB TRP A 85 14.015 1.425 4.823 1.00 11.20 C ATOM 1273 CG TRP A 85 14.811 1.742 3.595 1.00 52.32 C ATOM 1274 CD1 TRP A 85 16.043 2.286 3.640 1.00 72.31 C ATOM 1275 CD2 TRP A 85 14.558 1.458 2.179 1.00 45.03 C ATOM 1276 NE1 TRP A 85 16.524 2.482 2.365 1.00 13.01 N ATOM 1277 CE2 TRP A 85 15.651 1.985 1.424 1.00 51.03 C ATOM 1278 CE3 TRP A 85 13.546 0.801 1.439 1.00 25.41 C ATOM 1279 CZ2 TRP A 85 15.703 1.903 0.026 1.00 32.32 C ATOM 1280 CZ3 TRP A 85 13.641 0.639 0.047 1.00 52.34 C ATOM 1281 CH2 TRP A 85 14.730 1.169 -0.656 1.00 61.13 C ATOM 0 H TRP A 85 12.847 3.538 5.074 1.00 33.21 H new ATOM 0 HA TRP A 85 12.125 1.204 3.745 1.00 51.33 H new ATOM 0 HB2 TRP A 85 14.336 2.103 5.614 1.00 11.20 H new ATOM 0 HB3 TRP A 85 14.278 0.416 5.141 1.00 11.20 H new ATOM 0 HD1 TRP A 85 16.576 2.533 4.546 1.00 72.31 H new ATOM 0 HE1 TRP A 85 17.411 2.936 2.146 1.00 13.01 H new ATOM 0 HE3 TRP A 85 12.680 0.415 1.957 1.00 25.41 H new ATOM 0 HZ2 TRP A 85 16.489 2.403 -0.520 1.00 32.32 H new ATOM 0 HZ3 TRP A 85 12.869 0.102 -0.485 1.00 52.34 H new ATOM 0 HH2 TRP A 85 14.817 1.011 -1.721 1.00 61.13 H new ATOM 1292 N ASP A 86 11.828 0.951 6.994 1.00 65.15 N ATOM 1293 CA ASP A 86 11.226 0.224 8.096 1.00 25.53 C ATOM 1294 C ASP A 86 9.726 0.108 7.905 1.00 21.33 C ATOM 1295 O ASP A 86 9.195 -0.999 7.955 1.00 13.43 O ATOM 1296 CB ASP A 86 11.555 0.896 9.433 1.00 62.15 C ATOM 1297 CG ASP A 86 11.183 2.376 9.584 1.00 5.12 C ATOM 1298 OD1 ASP A 86 11.192 3.107 8.571 1.00 74.34 O ATOM 1299 OD2 ASP A 86 11.078 2.856 10.736 1.00 43.05 O ATOM 0 H ASP A 86 12.215 1.850 7.282 1.00 65.15 H new ATOM 0 HA ASP A 86 11.645 -0.782 8.111 1.00 25.53 H new ATOM 0 HB2 ASP A 86 11.052 0.339 10.224 1.00 62.15 H new ATOM 0 HB3 ASP A 86 12.627 0.798 9.606 1.00 62.15 H new ATOM 1304 N TYR A 87 9.051 1.226 7.637 1.00 64.14 N ATOM 1305 CA TYR A 87 7.619 1.242 7.343 1.00 23.41 C ATOM 1306 C TYR A 87 7.292 0.302 6.174 1.00 24.22 C ATOM 1307 O TYR A 87 6.262 -0.365 6.179 1.00 24.30 O ATOM 1308 CB TYR A 87 7.161 2.683 7.071 1.00 50.24 C ATOM 1309 CG TYR A 87 5.663 2.859 6.877 1.00 25.11 C ATOM 1310 CD1 TYR A 87 4.769 2.462 7.889 1.00 73.55 C ATOM 1311 CD2 TYR A 87 5.158 3.438 5.696 1.00 65.42 C ATOM 1312 CE1 TYR A 87 3.385 2.652 7.727 1.00 50.42 C ATOM 1313 CE2 TYR A 87 3.773 3.613 5.521 1.00 44.25 C ATOM 1314 CZ TYR A 87 2.874 3.219 6.538 1.00 41.41 C ATOM 1315 OH TYR A 87 1.525 3.336 6.376 1.00 4.14 O ATOM 0 H TYR A 87 9.484 2.149 7.618 1.00 64.14 H new ATOM 0 HA TYR A 87 7.069 0.873 8.209 1.00 23.41 H new ATOM 0 HB2 TYR A 87 7.480 3.312 7.902 1.00 50.24 H new ATOM 0 HB3 TYR A 87 7.672 3.048 6.180 1.00 50.24 H new ATOM 0 HD1 TYR A 87 5.147 2.010 8.794 1.00 73.55 H new ATOM 0 HD2 TYR A 87 5.840 3.750 4.919 1.00 65.42 H new ATOM 0 HE1 TYR A 87 2.708 2.362 8.517 1.00 50.42 H new ATOM 0 HE2 TYR A 87 3.396 4.049 4.608 1.00 44.25 H new ATOM 0 HH TYR A 87 1.305 3.290 5.422 1.00 4.14 H new ATOM 1325 N LEU A 88 8.181 0.193 5.188 1.00 25.30 N ATOM 1326 CA LEU A 88 8.035 -0.733 4.075 1.00 14.43 C ATOM 1327 C LEU A 88 8.083 -2.176 4.535 1.00 2.20 C ATOM 1328 O LEU A 88 7.139 -2.928 4.301 1.00 51.04 O ATOM 1329 CB LEU A 88 9.088 -0.444 2.999 1.00 12.12 C ATOM 1330 CG LEU A 88 8.668 0.770 2.163 1.00 31.50 C ATOM 1331 CD1 LEU A 88 9.875 1.413 1.491 1.00 2.03 C ATOM 1332 CD2 LEU A 88 7.674 0.318 1.095 1.00 50.25 C ATOM 0 H LEU A 88 9.032 0.754 5.143 1.00 25.30 H new ATOM 0 HA LEU A 88 7.050 -0.580 3.634 1.00 14.43 H new ATOM 0 HB2 LEU A 88 10.055 -0.256 3.466 1.00 12.12 H new ATOM 0 HB3 LEU A 88 9.209 -1.315 2.355 1.00 12.12 H new ATOM 0 HG LEU A 88 8.208 1.507 2.821 1.00 31.50 H new ATOM 0 HD11 LEU A 88 9.550 2.272 0.904 1.00 2.03 H new ATOM 0 HD12 LEU A 88 10.583 1.741 2.252 1.00 2.03 H new ATOM 0 HD13 LEU A 88 10.356 0.687 0.836 1.00 2.03 H new ATOM 0 HD21 LEU A 88 7.369 1.176 0.495 1.00 50.25 H new ATOM 0 HD22 LEU A 88 8.144 -0.426 0.452 1.00 50.25 H new ATOM 0 HD23 LEU A 88 6.798 -0.119 1.575 1.00 50.25 H new ATOM 1344 N TYR A 89 9.189 -2.583 5.145 1.00 5.13 N ATOM 1345 CA TYR A 89 9.378 -3.977 5.506 1.00 1.24 C ATOM 1346 C TYR A 89 8.460 -4.441 6.629 1.00 54.33 C ATOM 1347 O TYR A 89 8.165 -5.630 6.688 1.00 10.13 O ATOM 1348 CB TYR A 89 10.856 -4.223 5.781 1.00 31.23 C ATOM 1349 CG TYR A 89 11.553 -4.805 4.567 1.00 22.41 C ATOM 1350 CD1 TYR A 89 11.084 -5.983 3.946 1.00 51.34 C ATOM 1351 CD2 TYR A 89 12.650 -4.131 4.013 1.00 53.32 C ATOM 1352 CE1 TYR A 89 11.747 -6.495 2.828 1.00 62.13 C ATOM 1353 CE2 TYR A 89 13.369 -4.688 2.947 1.00 12.11 C ATOM 1354 CZ TYR A 89 12.936 -5.899 2.367 1.00 72.55 C ATOM 1355 OH TYR A 89 13.665 -6.524 1.406 1.00 45.24 O ATOM 0 H TYR A 89 9.963 -1.969 5.398 1.00 5.13 H new ATOM 0 HA TYR A 89 9.079 -4.599 4.662 1.00 1.24 H new ATOM 0 HB2 TYR A 89 11.336 -3.286 6.064 1.00 31.23 H new ATOM 0 HB3 TYR A 89 10.963 -4.904 6.625 1.00 31.23 H new ATOM 0 HD1 TYR A 89 10.213 -6.488 4.335 1.00 51.34 H new ATOM 0 HD2 TYR A 89 12.944 -3.172 4.412 1.00 53.32 H new ATOM 0 HE1 TYR A 89 11.344 -7.355 2.313 1.00 62.13 H new ATOM 0 HE2 TYR A 89 14.252 -4.192 2.571 1.00 12.11 H new ATOM 0 HH TYR A 89 13.737 -7.478 1.618 1.00 45.24 H new ATOM 1365 N GLU A 90 7.961 -3.527 7.456 1.00 51.14 N ATOM 1366 CA GLU A 90 6.847 -3.769 8.353 1.00 1.41 C ATOM 1367 C GLU A 90 5.643 -4.245 7.525 1.00 11.02 C ATOM 1368 O GLU A 90 5.217 -5.397 7.629 1.00 33.51 O ATOM 1369 CB GLU A 90 6.593 -2.458 9.120 1.00 4.13 C ATOM 1370 CG GLU A 90 5.393 -2.458 10.062 1.00 1.34 C ATOM 1371 CD GLU A 90 5.631 -3.277 11.326 1.00 30.22 C ATOM 1372 OE1 GLU A 90 5.581 -4.525 11.267 1.00 23.40 O ATOM 1373 OE2 GLU A 90 5.744 -2.659 12.407 1.00 43.23 O ATOM 0 H GLU A 90 8.331 -2.579 7.519 1.00 51.14 H new ATOM 0 HA GLU A 90 7.047 -4.554 9.083 1.00 1.41 H new ATOM 0 HB2 GLU A 90 7.485 -2.220 9.699 1.00 4.13 H new ATOM 0 HB3 GLU A 90 6.461 -1.655 8.395 1.00 4.13 H new ATOM 0 HG2 GLU A 90 5.156 -1.431 10.340 1.00 1.34 H new ATOM 0 HG3 GLU A 90 4.525 -2.855 9.536 1.00 1.34 H new ATOM 1380 N LEU A 91 5.108 -3.366 6.672 1.00 62.55 N ATOM 1381 CA LEU A 91 3.879 -3.606 5.915 1.00 73.41 C ATOM 1382 C LEU A 91 4.004 -4.787 4.936 1.00 1.42 C ATOM 1383 O LEU A 91 2.989 -5.431 4.673 1.00 41.44 O ATOM 1384 CB LEU A 91 3.462 -2.319 5.188 1.00 33.42 C ATOM 1385 CG LEU A 91 3.182 -1.085 6.083 1.00 45.42 C ATOM 1386 CD1 LEU A 91 3.150 0.181 5.220 1.00 53.31 C ATOM 1387 CD2 LEU A 91 1.904 -1.150 6.918 1.00 73.31 C ATOM 0 H LEU A 91 5.525 -2.454 6.486 1.00 62.55 H new ATOM 0 HA LEU A 91 3.101 -3.887 6.624 1.00 73.41 H new ATOM 0 HB2 LEU A 91 4.247 -2.057 4.479 1.00 33.42 H new ATOM 0 HB3 LEU A 91 2.565 -2.530 4.606 1.00 33.42 H new ATOM 0 HG LEU A 91 4.001 -1.070 6.802 1.00 45.42 H new ATOM 0 HD11 LEU A 91 2.953 1.047 5.852 1.00 53.31 H new ATOM 0 HD12 LEU A 91 4.111 0.306 4.722 1.00 53.31 H new ATOM 0 HD13 LEU A 91 2.363 0.091 4.471 1.00 53.31 H new ATOM 0 HD21 LEU A 91 1.806 -0.237 7.505 1.00 73.31 H new ATOM 0 HD22 LEU A 91 1.043 -1.250 6.258 1.00 73.31 H new ATOM 0 HD23 LEU A 91 1.950 -2.009 7.587 1.00 73.31 H new ATOM 1399 N ALA A 92 5.219 -5.121 4.468 1.00 41.01 N ATOM 1400 CA ALA A 92 5.510 -6.323 3.679 1.00 74.52 C ATOM 1401 C ALA A 92 4.949 -7.563 4.381 1.00 10.14 C ATOM 1402 O ALA A 92 4.125 -8.279 3.817 1.00 22.34 O ATOM 1403 CB ALA A 92 7.028 -6.482 3.452 1.00 45.12 C ATOM 0 H ALA A 92 6.045 -4.546 4.634 1.00 41.01 H new ATOM 0 HA ALA A 92 5.030 -6.216 2.706 1.00 74.52 H new ATOM 0 HB1 ALA A 92 7.216 -7.381 2.865 1.00 45.12 H new ATOM 0 HB2 ALA A 92 7.409 -5.612 2.917 1.00 45.12 H new ATOM 0 HB3 ALA A 92 7.533 -6.565 4.414 1.00 45.12 H new ATOM 1409 N THR A 93 5.415 -7.821 5.605 1.00 45.05 N ATOM 1410 CA THR A 93 5.107 -9.065 6.313 1.00 42.01 C ATOM 1411 C THR A 93 3.739 -8.994 6.992 1.00 43.34 C ATOM 1412 O THR A 93 3.041 -9.997 7.129 1.00 10.44 O ATOM 1413 CB THR A 93 6.278 -9.443 7.241 1.00 43.05 C ATOM 1414 OG1 THR A 93 6.075 -10.651 7.941 1.00 41.11 O ATOM 1415 CG2 THR A 93 6.638 -8.400 8.278 1.00 12.40 C ATOM 0 H THR A 93 6.011 -7.180 6.129 1.00 45.05 H new ATOM 0 HA THR A 93 5.012 -9.886 5.603 1.00 42.01 H new ATOM 0 HB THR A 93 7.097 -9.539 6.529 1.00 43.05 H new ATOM 0 HG1 THR A 93 6.026 -11.394 7.304 1.00 41.11 H new ATOM 0 HG21 THR A 93 7.472 -8.759 8.881 1.00 12.40 H new ATOM 0 HG22 THR A 93 6.923 -7.474 7.779 1.00 12.40 H new ATOM 0 HG23 THR A 93 5.778 -8.215 8.922 1.00 12.40 H new ATOM 1423 N ARG A 94 3.307 -7.795 7.365 1.00 73.32 N ATOM 1424 CA ARG A 94 2.020 -7.520 7.993 1.00 13.32 C ATOM 1425 C ARG A 94 0.825 -7.691 7.056 1.00 43.42 C ATOM 1426 O ARG A 94 -0.305 -7.597 7.536 1.00 25.34 O ATOM 1427 CB ARG A 94 2.110 -6.092 8.511 1.00 71.33 C ATOM 1428 CG ARG A 94 3.031 -5.957 9.725 1.00 11.02 C ATOM 1429 CD ARG A 94 2.236 -6.203 11.007 1.00 3.21 C ATOM 1430 NE ARG A 94 1.229 -5.169 11.270 1.00 42.01 N ATOM 1431 CZ ARG A 94 1.475 -3.952 11.763 1.00 62.33 C ATOM 1432 NH1 ARG A 94 2.710 -3.579 12.073 1.00 50.32 N ATOM 1433 NH2 ARG A 94 0.476 -3.103 11.917 1.00 74.43 N ATOM 0 H ARG A 94 3.867 -6.953 7.233 1.00 73.32 H new ATOM 0 HA ARG A 94 1.839 -8.242 8.789 1.00 13.32 H new ATOM 0 HB2 ARG A 94 2.471 -5.443 7.713 1.00 71.33 H new ATOM 0 HB3 ARG A 94 1.112 -5.744 8.778 1.00 71.33 H new ATOM 0 HG2 ARG A 94 3.851 -6.671 9.652 1.00 11.02 H new ATOM 0 HG3 ARG A 94 3.476 -4.962 9.747 1.00 11.02 H new ATOM 0 HD2 ARG A 94 1.743 -7.173 10.941 1.00 3.21 H new ATOM 0 HD3 ARG A 94 2.925 -6.253 11.850 1.00 3.21 H new ATOM 0 HE ARG A 94 0.258 -5.399 11.058 1.00 42.01 H new ATOM 0 HH11 ARG A 94 3.487 -4.225 11.936 1.00 50.32 H new ATOM 0 HH12 ARG A 94 2.882 -2.646 12.449 1.00 50.32 H new ATOM 0 HH21 ARG A 94 -0.472 -3.379 11.661 1.00 74.43 H new ATOM 0 HH22 ARG A 94 0.652 -2.171 12.293 1.00 74.43 H new ATOM 1447 N LYS A 95 1.043 -7.915 5.751 1.00 54.41 N ATOM 1448 CA LYS A 95 0.064 -7.651 4.695 1.00 21.41 C ATOM 1449 C LYS A 95 -1.331 -8.134 5.064 1.00 21.34 C ATOM 1450 O LYS A 95 -2.277 -7.357 5.023 1.00 14.10 O ATOM 1451 CB LYS A 95 0.516 -8.320 3.381 1.00 2.04 C ATOM 1452 CG LYS A 95 -0.572 -8.237 2.288 1.00 23.43 C ATOM 1453 CD LYS A 95 -0.141 -8.828 0.951 1.00 63.54 C ATOM 1454 CE LYS A 95 0.058 -10.344 0.988 1.00 71.15 C ATOM 1455 NZ LYS A 95 0.044 -10.947 -0.362 1.00 12.44 N ATOM 0 H LYS A 95 1.922 -8.292 5.398 1.00 54.41 H new ATOM 0 HA LYS A 95 0.012 -6.570 4.565 1.00 21.41 H new ATOM 0 HB2 LYS A 95 1.427 -7.840 3.024 1.00 2.04 H new ATOM 0 HB3 LYS A 95 0.760 -9.365 3.571 1.00 2.04 H new ATOM 0 HG2 LYS A 95 -1.464 -8.758 2.635 1.00 23.43 H new ATOM 0 HG3 LYS A 95 -0.849 -7.193 2.142 1.00 23.43 H new ATOM 0 HD2 LYS A 95 -0.891 -8.587 0.198 1.00 63.54 H new ATOM 0 HD3 LYS A 95 0.790 -8.355 0.637 1.00 63.54 H new ATOM 0 HE2 LYS A 95 1.006 -10.572 1.475 1.00 71.15 H new ATOM 0 HE3 LYS A 95 -0.728 -10.796 1.593 1.00 71.15 H new ATOM 0 HZ1 LYS A 95 0.266 -11.960 -0.292 1.00 12.44 H new ATOM 0 HZ2 LYS A 95 -0.898 -10.828 -0.786 1.00 12.44 H new ATOM 0 HZ3 LYS A 95 0.754 -10.477 -0.959 1.00 12.44 H new ATOM 1469 N ASP A 96 -1.458 -9.415 5.380 1.00 32.12 N ATOM 1470 CA ASP A 96 -2.696 -10.119 5.582 1.00 55.32 C ATOM 1471 C ASP A 96 -3.616 -9.411 6.579 1.00 25.34 C ATOM 1472 O ASP A 96 -4.812 -9.271 6.304 1.00 71.13 O ATOM 1473 CB ASP A 96 -2.302 -11.518 6.050 1.00 11.13 C ATOM 1474 CG ASP A 96 -2.074 -12.475 4.884 1.00 72.45 C ATOM 1475 OD1 ASP A 96 -3.049 -12.959 4.267 1.00 22.32 O ATOM 1476 OD2 ASP A 96 -0.894 -12.734 4.554 1.00 74.22 O ATOM 0 H ASP A 96 -0.645 -10.018 5.508 1.00 32.12 H new ATOM 0 HA ASP A 96 -3.279 -10.159 4.662 1.00 55.32 H new ATOM 0 HB2 ASP A 96 -1.394 -11.456 6.649 1.00 11.13 H new ATOM 0 HB3 ASP A 96 -3.084 -11.916 6.697 1.00 11.13 H new ATOM 1481 N GLN A 97 -3.075 -8.919 7.700 1.00 5.13 N ATOM 1482 CA GLN A 97 -3.861 -8.310 8.762 1.00 50.01 C ATOM 1483 C GLN A 97 -4.246 -6.888 8.363 1.00 43.33 C ATOM 1484 O GLN A 97 -5.364 -6.445 8.622 1.00 72.21 O ATOM 1485 CB GLN A 97 -3.010 -8.331 10.042 1.00 11.12 C ATOM 1486 CG GLN A 97 -3.605 -7.584 11.243 1.00 25.31 C ATOM 1487 CD GLN A 97 -4.945 -8.163 11.684 1.00 74.52 C ATOM 1488 OE1 GLN A 97 -5.006 -9.070 12.511 1.00 34.31 O ATOM 1489 NE2 GLN A 97 -6.049 -7.675 11.138 1.00 63.55 N ATOM 0 H GLN A 97 -2.073 -8.936 7.890 1.00 5.13 H new ATOM 0 HA GLN A 97 -4.786 -8.859 8.937 1.00 50.01 H new ATOM 0 HB2 GLN A 97 -2.842 -9.369 10.329 1.00 11.12 H new ATOM 0 HB3 GLN A 97 -2.034 -7.901 9.816 1.00 11.12 H new ATOM 0 HG2 GLN A 97 -2.903 -7.624 12.076 1.00 25.31 H new ATOM 0 HG3 GLN A 97 -3.734 -6.533 10.986 1.00 25.31 H new ATOM 0 HE21 GLN A 97 -5.989 -6.922 10.452 1.00 63.55 H new ATOM 0 HE22 GLN A 97 -6.959 -8.052 11.403 1.00 63.55 H new ATOM 1498 N LEU A 98 -3.313 -6.175 7.730 1.00 72.21 N ATOM 1499 CA LEU A 98 -3.511 -4.820 7.229 1.00 25.44 C ATOM 1500 C LEU A 98 -4.634 -4.823 6.215 1.00 72.15 C ATOM 1501 O LEU A 98 -5.477 -3.934 6.206 1.00 70.15 O ATOM 1502 CB LEU A 98 -2.233 -4.311 6.546 1.00 50.12 C ATOM 1503 CG LEU A 98 -1.003 -4.353 7.453 1.00 30.52 C ATOM 1504 CD1 LEU A 98 0.270 -4.099 6.664 1.00 44.13 C ATOM 1505 CD2 LEU A 98 -1.083 -3.350 8.580 1.00 13.43 C ATOM 0 H LEU A 98 -2.376 -6.536 7.549 1.00 72.21 H new ATOM 0 HA LEU A 98 -3.756 -4.168 8.067 1.00 25.44 H new ATOM 0 HB2 LEU A 98 -2.041 -4.912 5.657 1.00 50.12 H new ATOM 0 HB3 LEU A 98 -2.393 -3.287 6.210 1.00 50.12 H new ATOM 0 HG LEU A 98 -0.980 -5.355 7.881 1.00 30.52 H new ATOM 0 HD11 LEU A 98 1.128 -4.135 7.336 1.00 44.13 H new ATOM 0 HD12 LEU A 98 0.380 -4.863 5.894 1.00 44.13 H new ATOM 0 HD13 LEU A 98 0.217 -3.116 6.195 1.00 44.13 H new ATOM 0 HD21 LEU A 98 -0.185 -3.421 9.194 1.00 13.43 H new ATOM 0 HD22 LEU A 98 -1.162 -2.344 8.167 1.00 13.43 H new ATOM 0 HD23 LEU A 98 -1.960 -3.560 9.193 1.00 13.43 H new ATOM 1517 N TRP A 99 -4.654 -5.827 5.344 1.00 65.22 N ATOM 1518 CA TRP A 99 -5.658 -5.910 4.315 1.00 12.31 C ATOM 1519 C TRP A 99 -7.044 -6.043 4.930 1.00 30.32 C ATOM 1520 O TRP A 99 -7.942 -5.327 4.506 1.00 53.52 O ATOM 1521 CB TRP A 99 -5.322 -7.049 3.362 1.00 34.03 C ATOM 1522 CG TRP A 99 -6.160 -7.067 2.130 1.00 1.53 C ATOM 1523 CD1 TRP A 99 -6.935 -8.096 1.727 1.00 44.53 C ATOM 1524 CD2 TRP A 99 -6.371 -5.996 1.162 1.00 54.31 C ATOM 1525 NE1 TRP A 99 -7.544 -7.774 0.533 1.00 63.03 N ATOM 1526 CE2 TRP A 99 -7.229 -6.493 0.140 1.00 44.45 C ATOM 1527 CE3 TRP A 99 -5.976 -4.640 1.065 1.00 23.33 C ATOM 1528 CZ2 TRP A 99 -7.651 -5.695 -0.929 1.00 25.13 C ATOM 1529 CZ3 TRP A 99 -6.394 -3.833 -0.003 1.00 44.23 C ATOM 1530 CH2 TRP A 99 -7.223 -4.363 -0.996 1.00 34.20 C ATOM 0 H TRP A 99 -3.979 -6.592 5.339 1.00 65.22 H new ATOM 0 HA TRP A 99 -5.667 -4.989 3.732 1.00 12.31 H new ATOM 0 HB2 TRP A 99 -4.273 -6.974 3.076 1.00 34.03 H new ATOM 0 HB3 TRP A 99 -5.442 -7.997 3.886 1.00 34.03 H new ATOM 0 HD1 TRP A 99 -7.059 -9.028 2.258 1.00 44.53 H new ATOM 0 HE1 TRP A 99 -8.150 -8.404 0.008 1.00 63.03 H new ATOM 0 HE3 TRP A 99 -5.340 -4.218 1.829 1.00 23.33 H new ATOM 0 HZ2 TRP A 99 -8.298 -6.101 -1.692 1.00 25.13 H new ATOM 0 HZ3 TRP A 99 -6.076 -2.802 -0.058 1.00 44.23 H new ATOM 0 HH2 TRP A 99 -7.536 -3.741 -1.821 1.00 34.20 H new ATOM 1541 N ALA A 100 -7.216 -6.892 5.950 1.00 65.45 N ATOM 1542 CA ALA A 100 -8.501 -7.042 6.624 1.00 25.44 C ATOM 1543 C ALA A 100 -8.963 -5.734 7.297 1.00 44.43 C ATOM 1544 O ALA A 100 -10.162 -5.475 7.373 1.00 14.40 O ATOM 1545 CB ALA A 100 -8.400 -8.169 7.659 1.00 12.02 C ATOM 0 H ALA A 100 -6.476 -7.485 6.324 1.00 65.45 H new ATOM 0 HA ALA A 100 -9.250 -7.292 5.873 1.00 25.44 H new ATOM 0 HB1 ALA A 100 -9.358 -8.285 8.165 1.00 12.02 H new ATOM 0 HB2 ALA A 100 -8.140 -9.101 7.158 1.00 12.02 H new ATOM 0 HB3 ALA A 100 -7.630 -7.923 8.391 1.00 12.02 H new ATOM 1551 N ASP A 101 -8.024 -4.921 7.792 1.00 70.51 N ATOM 1552 CA ASP A 101 -8.275 -3.611 8.406 1.00 42.45 C ATOM 1553 C ASP A 101 -8.744 -2.609 7.337 1.00 63.21 C ATOM 1554 O ASP A 101 -9.798 -1.992 7.465 1.00 2.33 O ATOM 1555 CB ASP A 101 -6.987 -3.172 9.128 1.00 72.53 C ATOM 1556 CG ASP A 101 -7.056 -1.827 9.854 1.00 33.53 C ATOM 1557 OD1 ASP A 101 -6.736 -0.790 9.233 1.00 25.43 O ATOM 1558 OD2 ASP A 101 -7.179 -1.827 11.106 1.00 4.00 O ATOM 0 H ASP A 101 -7.034 -5.165 7.776 1.00 70.51 H new ATOM 0 HA ASP A 101 -9.077 -3.661 9.142 1.00 42.45 H new ATOM 0 HB2 ASP A 101 -6.719 -3.941 9.852 1.00 72.53 H new ATOM 0 HB3 ASP A 101 -6.180 -3.128 8.397 1.00 72.53 H new ATOM 1563 N TYR A 102 -8.030 -2.512 6.214 1.00 45.44 N ATOM 1564 CA TYR A 102 -8.378 -1.631 5.103 1.00 54.54 C ATOM 1565 C TYR A 102 -9.632 -2.067 4.326 1.00 4.50 C ATOM 1566 O TYR A 102 -10.303 -1.252 3.680 1.00 72.25 O ATOM 1567 CB TYR A 102 -7.179 -1.581 4.159 1.00 10.54 C ATOM 1568 CG TYR A 102 -6.030 -0.719 4.670 1.00 51.22 C ATOM 1569 CD1 TYR A 102 -6.259 0.615 5.064 1.00 45.44 C ATOM 1570 CD2 TYR A 102 -4.747 -1.275 4.839 1.00 43.33 C ATOM 1571 CE1 TYR A 102 -5.244 1.356 5.694 1.00 1.00 C ATOM 1572 CE2 TYR A 102 -3.727 -0.539 5.468 1.00 61.25 C ATOM 1573 CZ TYR A 102 -3.981 0.771 5.924 1.00 4.13 C ATOM 1574 OH TYR A 102 -3.010 1.462 6.585 1.00 63.11 O ATOM 0 H TYR A 102 -7.181 -3.053 6.051 1.00 45.44 H new ATOM 0 HA TYR A 102 -8.617 -0.652 5.518 1.00 54.54 H new ATOM 0 HB2 TYR A 102 -6.815 -2.595 3.995 1.00 10.54 H new ATOM 0 HB3 TYR A 102 -7.505 -1.199 3.192 1.00 10.54 H new ATOM 0 HD1 TYR A 102 -7.221 1.071 4.881 1.00 45.44 H new ATOM 0 HD2 TYR A 102 -4.545 -2.274 4.483 1.00 43.33 H new ATOM 0 HE1 TYR A 102 -5.431 2.374 6.002 1.00 1.00 H new ATOM 0 HE2 TYR A 102 -2.749 -0.977 5.602 1.00 61.25 H new ATOM 0 HH TYR A 102 -2.205 0.908 6.656 1.00 63.11 H new ATOM 1584 N LEU A 103 -9.934 -3.358 4.338 1.00 33.43 N ATOM 1585 CA LEU A 103 -11.212 -3.915 3.900 1.00 33.40 C ATOM 1586 C LEU A 103 -12.333 -3.391 4.780 1.00 52.21 C ATOM 1587 O LEU A 103 -13.334 -2.917 4.241 1.00 43.11 O ATOM 1588 CB LEU A 103 -11.211 -5.456 3.947 1.00 10.40 C ATOM 1589 CG LEU A 103 -10.870 -6.186 2.632 1.00 73.03 C ATOM 1590 CD1 LEU A 103 -9.961 -5.429 1.662 1.00 63.35 C ATOM 1591 CD2 LEU A 103 -10.200 -7.528 2.937 1.00 34.02 C ATOM 0 H LEU A 103 -9.279 -4.070 4.662 1.00 33.43 H new ATOM 0 HA LEU A 103 -11.368 -3.605 2.867 1.00 33.40 H new ATOM 0 HB2 LEU A 103 -10.498 -5.773 4.708 1.00 10.40 H new ATOM 0 HB3 LEU A 103 -12.196 -5.788 4.275 1.00 10.40 H new ATOM 0 HG LEU A 103 -11.834 -6.295 2.135 1.00 73.03 H new ATOM 0 HD11 LEU A 103 -9.789 -6.038 0.774 1.00 63.35 H new ATOM 0 HD12 LEU A 103 -10.437 -4.492 1.373 1.00 63.35 H new ATOM 0 HD13 LEU A 103 -9.008 -5.217 2.147 1.00 63.35 H new ATOM 0 HD21 LEU A 103 -9.963 -8.037 2.003 1.00 34.02 H new ATOM 0 HD22 LEU A 103 -9.283 -7.357 3.500 1.00 34.02 H new ATOM 0 HD23 LEU A 103 -10.877 -8.147 3.526 1.00 34.02 H new ATOM 1603 N ALA A 104 -12.171 -3.492 6.101 1.00 62.01 N ATOM 1604 CA ALA A 104 -13.161 -3.061 7.073 1.00 54.25 C ATOM 1605 C ALA A 104 -13.411 -1.559 6.987 1.00 45.33 C ATOM 1606 O ALA A 104 -14.544 -1.118 7.151 1.00 5.30 O ATOM 1607 CB ALA A 104 -12.687 -3.426 8.471 1.00 25.43 C ATOM 0 H ALA A 104 -11.331 -3.884 6.526 1.00 62.01 H new ATOM 0 HA ALA A 104 -14.100 -3.569 6.853 1.00 54.25 H new ATOM 0 HB1 ALA A 104 -13.428 -3.104 9.202 1.00 25.43 H new ATOM 0 HB2 ALA A 104 -12.555 -4.506 8.540 1.00 25.43 H new ATOM 0 HB3 ALA A 104 -11.738 -2.931 8.674 1.00 25.43 H new ATOM 1613 N GLU A 105 -12.379 -0.768 6.693 1.00 42.31 N ATOM 1614 CA GLU A 105 -12.534 0.653 6.412 1.00 30.02 C ATOM 1615 C GLU A 105 -13.462 0.864 5.226 1.00 30.00 C ATOM 1616 O GLU A 105 -14.408 1.641 5.317 1.00 64.34 O ATOM 1617 CB GLU A 105 -11.175 1.283 6.137 1.00 43.24 C ATOM 1618 CG GLU A 105 -10.471 1.606 7.450 1.00 43.33 C ATOM 1619 CD GLU A 105 -10.869 2.945 8.087 1.00 4.30 C ATOM 1620 OE1 GLU A 105 -11.095 3.946 7.371 1.00 42.14 O ATOM 1621 OE2 GLU A 105 -10.905 3.028 9.335 1.00 30.10 O ATOM 0 H GLU A 105 -11.415 -1.097 6.644 1.00 42.31 H new ATOM 0 HA GLU A 105 -12.976 1.134 7.285 1.00 30.02 H new ATOM 0 HB2 GLU A 105 -10.563 0.602 5.545 1.00 43.24 H new ATOM 0 HB3 GLU A 105 -11.299 2.192 5.549 1.00 43.24 H new ATOM 0 HG2 GLU A 105 -10.677 0.807 8.162 1.00 43.33 H new ATOM 0 HG3 GLU A 105 -9.395 1.609 7.277 1.00 43.33 H new ATOM 1628 N LEU A 106 -13.222 0.168 4.112 1.00 61.33 N ATOM 1629 CA LEU A 106 -14.070 0.267 2.932 1.00 24.41 C ATOM 1630 C LEU A 106 -15.509 -0.113 3.269 1.00 4.20 C ATOM 1631 O LEU A 106 -16.444 0.594 2.887 1.00 4.31 O ATOM 1632 CB LEU A 106 -13.519 -0.612 1.783 1.00 70.41 C ATOM 1633 CG LEU A 106 -13.280 0.162 0.475 1.00 51.41 C ATOM 1634 CD1 LEU A 106 -14.528 0.952 0.100 1.00 10.22 C ATOM 1635 CD2 LEU A 106 -12.010 1.017 0.584 1.00 61.03 C ATOM 0 H LEU A 106 -12.438 -0.475 4.007 1.00 61.33 H new ATOM 0 HA LEU A 106 -14.064 1.303 2.594 1.00 24.41 H new ATOM 0 HB2 LEU A 106 -12.581 -1.067 2.103 1.00 70.41 H new ATOM 0 HB3 LEU A 106 -14.219 -1.425 1.591 1.00 70.41 H new ATOM 0 HG LEU A 106 -13.102 -0.533 -0.345 1.00 51.41 H new ATOM 0 HD11 LEU A 106 -14.349 1.497 -0.827 1.00 10.22 H new ATOM 0 HD12 LEU A 106 -15.365 0.267 -0.037 1.00 10.22 H new ATOM 0 HD13 LEU A 106 -14.764 1.658 0.896 1.00 10.22 H new ATOM 0 HD21 LEU A 106 -11.855 1.558 -0.349 1.00 61.03 H new ATOM 0 HD22 LEU A 106 -12.120 1.729 1.402 1.00 61.03 H new ATOM 0 HD23 LEU A 106 -11.153 0.372 0.776 1.00 61.03 H new ATOM 1647 N ALA A 107 -15.663 -1.214 4.001 1.00 22.12 N ATOM 1648 CA ALA A 107 -16.945 -1.804 4.331 1.00 74.12 C ATOM 1649 C ALA A 107 -17.715 -0.946 5.345 1.00 72.33 C ATOM 1650 O ALA A 107 -18.944 -0.893 5.295 1.00 71.15 O ATOM 1651 CB ALA A 107 -16.701 -3.229 4.837 1.00 32.11 C ATOM 0 H ALA A 107 -14.873 -1.730 4.389 1.00 22.12 H new ATOM 0 HA ALA A 107 -17.576 -1.845 3.443 1.00 74.12 H new ATOM 0 HB1 ALA A 107 -17.654 -3.693 5.092 1.00 32.11 H new ATOM 0 HB2 ALA A 107 -16.210 -3.813 4.058 1.00 32.11 H new ATOM 0 HB3 ALA A 107 -16.065 -3.197 5.722 1.00 32.11 H new ATOM 1657 N SER A 108 -17.026 -0.230 6.235 1.00 24.21 N ATOM 1658 CA SER A 108 -17.651 0.728 7.133 1.00 73.35 C ATOM 1659 C SER A 108 -18.032 1.975 6.339 1.00 12.21 C ATOM 1660 O SER A 108 -19.155 2.477 6.456 1.00 11.22 O ATOM 1661 CB SER A 108 -16.702 1.086 8.279 1.00 34.40 C ATOM 1662 OG SER A 108 -17.412 1.886 9.202 1.00 34.13 O ATOM 0 H SER A 108 -16.015 -0.302 6.350 1.00 24.21 H new ATOM 0 HA SER A 108 -18.548 0.289 7.569 1.00 73.35 H new ATOM 0 HB2 SER A 108 -16.332 0.182 8.764 1.00 34.40 H new ATOM 0 HB3 SER A 108 -15.832 1.623 7.900 1.00 34.40 H new ATOM 0 HG SER A 108 -16.823 2.127 9.947 1.00 34.13 H new ATOM 1668 N ALA A 109 -17.105 2.492 5.524 1.00 62.25 N ATOM 1669 CA ALA A 109 -17.308 3.668 4.692 1.00 64.34 C ATOM 1670 C ALA A 109 -18.458 3.467 3.703 1.00 25.42 C ATOM 1671 O ALA A 109 -19.040 4.452 3.248 1.00 10.51 O ATOM 1672 CB ALA A 109 -16.015 4.019 3.959 1.00 71.13 C ATOM 0 H ALA A 109 -16.173 2.089 5.428 1.00 62.25 H new ATOM 0 HA ALA A 109 -17.583 4.499 5.341 1.00 64.34 H new ATOM 0 HB1 ALA A 109 -16.176 4.901 3.339 1.00 71.13 H new ATOM 0 HB2 ALA A 109 -15.229 4.226 4.686 1.00 71.13 H new ATOM 0 HB3 ALA A 109 -15.715 3.182 3.329 1.00 71.13 H new ATOM 1678 N GLY A 110 -18.800 2.218 3.374 1.00 74.21 N ATOM 1679 CA GLY A 110 -19.888 1.876 2.471 1.00 54.52 C ATOM 1680 C GLY A 110 -19.613 2.322 1.038 1.00 43.44 C ATOM 1681 O GLY A 110 -20.554 2.453 0.253 1.00 70.30 O ATOM 0 H GLY A 110 -18.312 1.401 3.741 1.00 74.21 H new ATOM 0 HA2 GLY A 110 -20.047 0.798 2.489 1.00 54.52 H new ATOM 0 HA3 GLY A 110 -20.809 2.340 2.823 1.00 54.52 H new ATOM 1685 N LYS A 111 -18.356 2.637 0.709 1.00 72.02 N ATOM 1686 CA LYS A 111 -17.934 2.933 -0.655 1.00 30.32 C ATOM 1687 C LYS A 111 -17.552 1.610 -1.305 1.00 31.33 C ATOM 1688 O LYS A 111 -17.734 0.543 -0.712 1.00 41.55 O ATOM 1689 CB LYS A 111 -16.759 3.920 -0.674 1.00 51.52 C ATOM 1690 CG LYS A 111 -16.856 5.154 0.231 1.00 13.41 C ATOM 1691 CD LYS A 111 -17.959 6.119 -0.204 1.00 43.31 C ATOM 1692 CE LYS A 111 -17.889 7.374 0.675 1.00 42.51 C ATOM 1693 NZ LYS A 111 -19.146 8.154 0.657 1.00 4.22 N ATOM 0 H LYS A 111 -17.600 2.693 1.391 1.00 72.02 H new ATOM 0 HA LYS A 111 -18.743 3.410 -1.207 1.00 30.32 H new ATOM 0 HB2 LYS A 111 -15.856 3.373 -0.402 1.00 51.52 H new ATOM 0 HB3 LYS A 111 -16.626 4.265 -1.699 1.00 51.52 H new ATOM 0 HG2 LYS A 111 -17.042 4.834 1.256 1.00 13.41 H new ATOM 0 HG3 LYS A 111 -15.900 5.677 0.229 1.00 13.41 H new ATOM 0 HD2 LYS A 111 -17.836 6.385 -1.254 1.00 43.31 H new ATOM 0 HD3 LYS A 111 -18.936 5.645 -0.108 1.00 43.31 H new ATOM 0 HE2 LYS A 111 -17.662 7.082 1.700 1.00 42.51 H new ATOM 0 HE3 LYS A 111 -17.069 8.006 0.334 1.00 42.51 H new ATOM 0 HZ1 LYS A 111 -19.044 8.990 1.267 1.00 4.22 H new ATOM 0 HZ2 LYS A 111 -19.352 8.458 -0.316 1.00 4.22 H new ATOM 0 HZ3 LYS A 111 -19.926 7.563 1.008 1.00 4.22 H new ATOM 1707 N SER A 112 -16.960 1.672 -2.496 1.00 23.43 N ATOM 1708 CA SER A 112 -16.561 0.465 -3.195 1.00 61.12 C ATOM 1709 C SER A 112 -15.195 0.556 -3.829 1.00 62.02 C ATOM 1710 O SER A 112 -14.852 1.587 -4.400 1.00 65.11 O ATOM 1711 CB SER A 112 -17.575 0.177 -4.298 1.00 70.41 C ATOM 1712 OG SER A 112 -18.920 0.316 -3.890 1.00 65.44 O ATOM 0 H SER A 112 -16.750 2.540 -2.989 1.00 23.43 H new ATOM 0 HA SER A 112 -16.522 -0.329 -2.449 1.00 61.12 H new ATOM 0 HB2 SER A 112 -17.388 0.850 -5.135 1.00 70.41 H new ATOM 0 HB3 SER A 112 -17.420 -0.838 -4.665 1.00 70.41 H new ATOM 0 HG SER A 112 -19.513 0.119 -4.645 1.00 65.44 H new ATOM 1718 N ARG A 113 -14.430 -0.538 -3.756 1.00 63.35 N ATOM 1719 CA ARG A 113 -13.150 -0.646 -4.452 1.00 73.13 C ATOM 1720 C ARG A 113 -13.408 -0.505 -5.948 1.00 2.32 C ATOM 1721 O ARG A 113 -12.692 0.226 -6.631 1.00 24.14 O ATOM 1722 CB ARG A 113 -12.426 -1.976 -4.136 1.00 22.42 C ATOM 1723 CG ARG A 113 -12.454 -2.351 -2.645 1.00 10.34 C ATOM 1724 CD ARG A 113 -11.396 -3.385 -2.236 1.00 54.23 C ATOM 1725 NE ARG A 113 -10.122 -2.740 -1.914 1.00 13.30 N ATOM 1726 CZ ARG A 113 -9.813 -2.104 -0.774 1.00 31.00 C ATOM 1727 NH1 ARG A 113 -10.590 -2.176 0.306 1.00 44.21 N ATOM 1728 NH2 ARG A 113 -8.722 -1.355 -0.725 1.00 70.01 N ATOM 0 H ARG A 113 -14.681 -1.366 -3.216 1.00 63.35 H new ATOM 0 HA ARG A 113 -12.488 0.149 -4.108 1.00 73.13 H new ATOM 0 HB2 ARG A 113 -12.888 -2.778 -4.713 1.00 22.42 H new ATOM 0 HB3 ARG A 113 -11.389 -1.903 -4.465 1.00 22.42 H new ATOM 0 HG2 ARG A 113 -12.311 -1.448 -2.052 1.00 10.34 H new ATOM 0 HG3 ARG A 113 -13.441 -2.741 -2.399 1.00 10.34 H new ATOM 0 HD2 ARG A 113 -11.749 -3.949 -1.373 1.00 54.23 H new ATOM 0 HD3 ARG A 113 -11.250 -4.100 -3.046 1.00 54.23 H new ATOM 0 HE ARG A 113 -9.396 -2.778 -2.629 1.00 13.30 H new ATOM 0 HH11 ARG A 113 -11.448 -2.727 0.281 1.00 44.21 H new ATOM 0 HH12 ARG A 113 -10.327 -1.680 1.158 1.00 44.21 H new ATOM 0 HH21 ARG A 113 -8.127 -1.266 -1.549 1.00 70.01 H new ATOM 0 HH22 ARG A 113 -8.477 -0.867 0.136 1.00 70.01 H new ATOM 1742 N ASP A 114 -14.407 -1.221 -6.460 1.00 45.24 N ATOM 1743 CA ASP A 114 -14.723 -1.204 -7.884 1.00 21.11 C ATOM 1744 C ASP A 114 -15.410 0.102 -8.270 1.00 44.14 C ATOM 1745 O ASP A 114 -16.137 0.686 -7.454 1.00 63.02 O ATOM 1746 CB ASP A 114 -15.572 -2.423 -8.281 1.00 0.44 C ATOM 1747 CG ASP A 114 -14.979 -3.244 -9.435 1.00 72.14 C ATOM 1748 OD1 ASP A 114 -13.802 -3.046 -9.805 1.00 22.01 O ATOM 1749 OD2 ASP A 114 -15.713 -4.078 -10.006 1.00 33.10 O ATOM 0 H ASP A 114 -15.014 -1.823 -5.904 1.00 45.24 H new ATOM 0 HA ASP A 114 -13.786 -1.266 -8.438 1.00 21.11 H new ATOM 0 HB2 ASP A 114 -15.691 -3.070 -7.412 1.00 0.44 H new ATOM 0 HB3 ASP A 114 -16.568 -2.083 -8.564 1.00 0.44 H new ATOM 1754 N PRO A 115 -15.183 0.586 -9.504 1.00 65.44 N ATOM 1755 CA PRO A 115 -15.534 1.941 -9.872 1.00 21.10 C ATOM 1756 C PRO A 115 -17.028 2.214 -9.807 1.00 12.50 C ATOM 1757 O PRO A 115 -17.410 3.346 -9.493 1.00 44.43 O ATOM 1758 CB PRO A 115 -14.950 2.189 -11.262 1.00 42.44 C ATOM 1759 CG PRO A 115 -14.479 0.833 -11.779 1.00 23.03 C ATOM 1760 CD PRO A 115 -14.405 -0.055 -10.553 1.00 30.04 C ATOM 0 HA PRO A 115 -15.112 2.641 -9.151 1.00 21.10 H new ATOM 0 HB2 PRO A 115 -15.699 2.619 -11.927 1.00 42.44 H new ATOM 0 HB3 PRO A 115 -14.122 2.896 -11.215 1.00 42.44 H new ATOM 0 HG2 PRO A 115 -15.173 0.430 -12.516 1.00 23.03 H new ATOM 0 HG3 PRO A 115 -13.507 0.913 -12.267 1.00 23.03 H new ATOM 0 HD2 PRO A 115 -14.801 -1.047 -10.773 1.00 30.04 H new ATOM 0 HD3 PRO A 115 -13.370 -0.188 -10.237 1.00 30.04 H new