USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1007 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 80 THR OG1 : rot 180:sc= 1.05 USER MOD Set 1.2: A 83 SER OG : rot 88:sc= 1.22 USER MOD Set 2.1: A 60 ASN : amide:sc= 0.676 K(o=0.69,f=-6.9!) USER MOD Set 2.2: A 101 ASN : amide:sc= 0.0122 K(o=0.69,f=-1.2) USER MOD Set 3.1: A 57 TYR OH : rot -79:sc= -0.792! USER MOD Set 3.2: B 204 A O2' : rot -19:sc= 1.41 USER MOD Set 4.1: A 21 ASN : amide:sc= -0.408 K(o=-0.46,f=-4.4!) USER MOD Set 4.2: A 22 ASN : amide:sc= -0.0779 X(o=-0.46,f=-0.45) USER MOD Set 4.3: A 23 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -155:sc= -0.268 (180deg=-1.13) USER MOD Single : A 5 MET CE :methyl -132:sc= -2.64! (180deg=-3.98!) USER MOD Single : A 7 MET CE :methyl 145:sc= -0.452 (180deg=-3.22!) USER MOD Single : A 10 TYR OH : rot -75:sc= 1.53 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= 1.15 (180deg=1.14) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= 0.51 (180deg=-0.84!) USER MOD Single : A 24 THR OG1 : rot -10:sc= 1.56 USER MOD Single : A 25 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.022) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 124:sc= -1.72! USER MOD Single : A 41 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.064) USER MOD Single : A 44 TYR OH : rot 176:sc= -0.957 USER MOD Single : A 45 THR OG1 : rot 47:sc= 0.0814 USER MOD Single : A 48 GLN : amide:sc= -0.0796 X(o=-0.08,f=-0.19) USER MOD Single : A 49 SER OG : rot 125:sc= 0.476 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 80:sc= -0.0262 USER MOD Single : A 68 SER OG : rot -99:sc= 1.27 USER MOD Single : A 69 SER OG : rot -153:sc= -0.885 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.859 K(o=-0.86,f=0.085) USER MOD Single : A 77 LYS NZ :NH3+ 166:sc=-0.00904 (180deg=-0.192) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0298 (180deg=-0.239) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.0046) USER MOD Single : A 87 SER OG : rot 76:sc= 1.2 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= -0.128 (180deg=-0.536) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -2.03! K(o=-2!,f=-3.6) USER MOD Single : A 99 CYS SG : rot 180:sc= -3.54! USER MOD Single : A 104 SER OG : rot 180:sc= 0.0375 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 107 LYS NZ :NH3+ 139:sc= 0.793 (180deg=0.344) USER MOD Single : A 108 SER OG : rot -12:sc= 0.00443 USER MOD Single : A 116 CYS SG : rot 64:sc= -0.24 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 205 C O2' : rot 131:sc= 1.29 USER MOD Single : B 205 C O3' : rot 111:sc= -2.93! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.704 14.745 12.144 1.00 4.50 N ATOM 2 CA GLY A 1 -6.752 13.976 10.879 1.00 3.82 C ATOM 3 C GLY A 1 -8.177 13.684 10.456 1.00 3.11 C ATOM 4 O GLY A 1 -8.857 12.859 11.068 1.00 3.68 O ATOM 0 H1 GLY A 1 -5.713 14.926 12.403 1.00 4.50 H new ATOM 0 H2 GLY A 1 -7.201 15.650 12.019 1.00 4.50 H new ATOM 0 H3 GLY A 1 -7.165 14.199 12.900 1.00 4.50 H new ATOM 0 HA2 GLY A 1 -6.246 14.537 10.093 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -6.209 13.039 11.002 1.00 3.82 H new ATOM 10 N ALA A 2 -8.635 14.366 9.413 1.00 2.29 N ATOM 11 CA ALA A 2 -9.997 14.199 8.929 1.00 2.08 C ATOM 12 C ALA A 2 -10.026 14.205 7.407 1.00 1.48 C ATOM 13 O ALA A 2 -9.021 14.521 6.770 1.00 1.84 O ATOM 14 CB ALA A 2 -10.897 15.294 9.484 1.00 2.71 C ATOM 0 H ALA A 2 -8.081 15.041 8.886 1.00 2.29 H new ATOM 0 HA ALA A 2 -10.371 13.236 9.277 1.00 2.08 H new ATOM 0 HB1 ALA A 2 -11.912 15.154 9.112 1.00 2.71 H new ATOM 0 HB2 ALA A 2 -10.900 15.246 10.573 1.00 2.71 H new ATOM 0 HB3 ALA A 2 -10.525 16.267 9.165 1.00 2.71 H new ATOM 20 N MET A 3 -11.183 13.846 6.844 1.00 1.46 N ATOM 21 CA MET A 3 -11.397 13.790 5.393 1.00 1.11 C ATOM 22 C MET A 3 -10.546 12.712 4.736 1.00 0.83 C ATOM 23 O MET A 3 -10.468 12.612 3.509 1.00 0.86 O ATOM 24 CB MET A 3 -11.110 15.148 4.763 1.00 1.57 C ATOM 25 CG MET A 3 -12.092 16.240 5.152 1.00 2.17 C ATOM 26 SD MET A 3 -11.596 17.861 4.532 1.00 3.21 S ATOM 27 CE MET A 3 -10.012 18.068 5.344 1.00 4.12 C ATOM 0 H MET A 3 -12.006 13.583 7.387 1.00 1.46 H new ATOM 0 HA MET A 3 -12.442 13.531 5.225 1.00 1.11 H new ATOM 0 HB2 MET A 3 -10.105 15.462 5.047 1.00 1.57 H new ATOM 0 HB3 MET A 3 -11.116 15.040 3.678 1.00 1.57 H new ATOM 0 HG2 MET A 3 -13.080 15.992 4.764 1.00 2.17 H new ATOM 0 HG3 MET A 3 -12.177 16.279 6.238 1.00 2.17 H new ATOM 0 HE1 MET A 3 -9.787 19.130 5.438 1.00 4.12 H new ATOM 0 HE2 MET A 3 -10.049 17.616 6.335 1.00 4.12 H new ATOM 0 HE3 MET A 3 -9.234 17.584 4.753 1.00 4.12 H new ATOM 37 N ALA A 4 -9.935 11.906 5.571 1.00 0.78 N ATOM 38 CA ALA A 4 -9.047 10.849 5.124 1.00 0.62 C ATOM 39 C ALA A 4 -9.534 9.500 5.621 1.00 0.57 C ATOM 40 O ALA A 4 -9.489 9.221 6.820 1.00 0.79 O ATOM 41 CB ALA A 4 -7.624 11.111 5.597 1.00 0.73 C ATOM 0 H ALA A 4 -10.037 11.962 6.584 1.00 0.78 H new ATOM 0 HA ALA A 4 -9.049 10.835 4.034 1.00 0.62 H new ATOM 0 HB1 ALA A 4 -6.972 10.308 5.252 1.00 0.73 H new ATOM 0 HB2 ALA A 4 -7.275 12.061 5.192 1.00 0.73 H new ATOM 0 HB3 ALA A 4 -7.604 11.152 6.686 1.00 0.73 H new ATOM 47 N MET A 5 -10.015 8.675 4.710 1.00 0.40 N ATOM 48 CA MET A 5 -10.443 7.335 5.065 1.00 0.39 C ATOM 49 C MET A 5 -9.319 6.349 4.823 1.00 0.36 C ATOM 50 O MET A 5 -8.839 6.220 3.705 1.00 0.38 O ATOM 51 CB MET A 5 -11.665 6.900 4.251 1.00 0.41 C ATOM 52 CG MET A 5 -12.955 7.601 4.639 1.00 0.47 C ATOM 53 SD MET A 5 -14.398 6.859 3.854 1.00 0.54 S ATOM 54 CE MET A 5 -13.960 7.061 2.129 1.00 1.31 C ATOM 0 H MET A 5 -10.119 8.908 3.722 1.00 0.40 H new ATOM 0 HA MET A 5 -10.713 7.348 6.121 1.00 0.39 H new ATOM 0 HB2 MET A 5 -11.468 7.085 3.195 1.00 0.41 H new ATOM 0 HB3 MET A 5 -11.800 5.825 4.367 1.00 0.41 H new ATOM 0 HG2 MET A 5 -13.074 7.565 5.722 1.00 0.47 H new ATOM 0 HG3 MET A 5 -12.893 8.653 4.360 1.00 0.47 H new ATOM 0 HE1 MET A 5 -14.806 7.481 1.586 1.00 1.31 H new ATOM 0 HE2 MET A 5 -13.106 7.733 2.047 1.00 1.31 H new ATOM 0 HE3 MET A 5 -13.701 6.092 1.703 1.00 1.31 H new ATOM 64 N PRO A 6 -8.869 5.645 5.864 1.00 0.38 N ATOM 65 CA PRO A 6 -7.910 4.563 5.695 1.00 0.37 C ATOM 66 C PRO A 6 -8.479 3.545 4.721 1.00 0.32 C ATOM 67 O PRO A 6 -9.614 3.107 4.880 1.00 0.30 O ATOM 68 CB PRO A 6 -7.781 3.968 7.100 1.00 0.47 C ATOM 69 CG PRO A 6 -8.220 5.059 8.017 1.00 0.53 C ATOM 70 CD PRO A 6 -9.268 5.831 7.264 1.00 0.49 C ATOM 0 HA PRO A 6 -6.947 4.883 5.297 1.00 0.37 H new ATOM 0 HB2 PRO A 6 -8.405 3.081 7.213 1.00 0.47 H new ATOM 0 HB3 PRO A 6 -6.755 3.665 7.309 1.00 0.47 H new ATOM 0 HG2 PRO A 6 -8.625 4.652 8.943 1.00 0.53 H new ATOM 0 HG3 PRO A 6 -7.382 5.701 8.290 1.00 0.53 H new ATOM 0 HD2 PRO A 6 -10.269 5.444 7.454 1.00 0.49 H new ATOM 0 HD3 PRO A 6 -9.275 6.884 7.546 1.00 0.49 H new ATOM 78 N MET A 7 -7.714 3.200 3.695 1.00 0.31 N ATOM 79 CA MET A 7 -8.229 2.366 2.615 1.00 0.28 C ATOM 80 C MET A 7 -8.696 1.004 3.112 1.00 0.27 C ATOM 81 O MET A 7 -9.528 0.365 2.475 1.00 0.29 O ATOM 82 CB MET A 7 -7.199 2.200 1.508 1.00 0.30 C ATOM 83 CG MET A 7 -6.957 3.457 0.700 1.00 0.33 C ATOM 84 SD MET A 7 -6.311 3.100 -0.942 1.00 1.17 S ATOM 85 CE MET A 7 -7.669 2.150 -1.618 1.00 0.48 C ATOM 0 H MET A 7 -6.740 3.482 3.586 1.00 0.31 H new ATOM 0 HA MET A 7 -9.098 2.884 2.208 1.00 0.28 H new ATOM 0 HB2 MET A 7 -6.256 1.876 1.948 1.00 0.30 H new ATOM 0 HB3 MET A 7 -7.527 1.406 0.837 1.00 0.30 H new ATOM 0 HG2 MET A 7 -7.890 4.012 0.608 1.00 0.33 H new ATOM 0 HG3 MET A 7 -6.255 4.099 1.232 1.00 0.33 H new ATOM 0 HE1 MET A 7 -7.768 2.363 -2.682 1.00 0.48 H new ATOM 0 HE2 MET A 7 -7.475 1.087 -1.478 1.00 0.48 H new ATOM 0 HE3 MET A 7 -8.593 2.421 -1.106 1.00 0.48 H new ATOM 95 N ILE A 8 -8.163 0.564 4.243 1.00 0.26 N ATOM 96 CA ILE A 8 -8.658 -0.641 4.891 1.00 0.25 C ATOM 97 C ILE A 8 -10.078 -0.398 5.402 1.00 0.24 C ATOM 98 O ILE A 8 -10.991 -1.169 5.118 1.00 0.26 O ATOM 99 CB ILE A 8 -7.737 -1.066 6.053 1.00 0.23 C ATOM 100 CG1 ILE A 8 -6.337 -1.393 5.520 1.00 0.25 C ATOM 101 CG2 ILE A 8 -8.320 -2.251 6.810 1.00 0.25 C ATOM 102 CD1 ILE A 8 -6.304 -2.558 4.549 1.00 0.27 C ATOM 0 H ILE A 8 -7.391 1.021 4.729 1.00 0.26 H new ATOM 0 HA ILE A 8 -8.667 -1.450 4.161 1.00 0.25 H new ATOM 0 HB ILE A 8 -7.659 -0.235 6.754 1.00 0.23 H new ATOM 0 HG12 ILE A 8 -5.932 -0.510 5.026 1.00 0.25 H new ATOM 0 HG13 ILE A 8 -5.682 -1.616 6.362 1.00 0.25 H new ATOM 0 HG21 ILE A 8 -7.650 -2.529 7.623 1.00 0.25 H new ATOM 0 HG22 ILE A 8 -9.293 -1.979 7.219 1.00 0.25 H new ATOM 0 HG23 ILE A 8 -8.435 -3.096 6.131 1.00 0.25 H new ATOM 0 HD11 ILE A 8 -5.279 -2.726 4.218 1.00 0.27 H new ATOM 0 HD12 ILE A 8 -6.677 -3.455 5.044 1.00 0.27 H new ATOM 0 HD13 ILE A 8 -6.931 -2.331 3.687 1.00 0.27 H new ATOM 114 N GLU A 9 -10.248 0.714 6.118 1.00 0.26 N ATOM 115 CA GLU A 9 -11.558 1.159 6.598 1.00 0.28 C ATOM 116 C GLU A 9 -12.529 1.293 5.423 1.00 0.26 C ATOM 117 O GLU A 9 -13.705 0.944 5.526 1.00 0.28 O ATOM 118 CB GLU A 9 -11.401 2.512 7.307 1.00 0.32 C ATOM 119 CG GLU A 9 -12.691 3.104 7.856 1.00 0.40 C ATOM 120 CD GLU A 9 -13.121 2.479 9.168 1.00 0.87 C ATOM 121 OE1 GLU A 9 -12.312 2.468 10.118 1.00 1.01 O ATOM 122 OE2 GLU A 9 -14.283 2.034 9.267 1.00 1.62 O ATOM 0 H GLU A 9 -9.481 1.332 6.382 1.00 0.26 H new ATOM 0 HA GLU A 9 -11.958 0.425 7.298 1.00 0.28 H new ATOM 0 HB2 GLU A 9 -10.694 2.395 8.128 1.00 0.32 H new ATOM 0 HB3 GLU A 9 -10.962 3.223 6.607 1.00 0.32 H new ATOM 0 HG2 GLU A 9 -12.560 4.177 7.997 1.00 0.40 H new ATOM 0 HG3 GLU A 9 -13.485 2.974 7.121 1.00 0.40 H new ATOM 129 N TYR A 10 -12.010 1.798 4.302 1.00 0.28 N ATOM 130 CA TYR A 10 -12.785 1.945 3.075 1.00 0.29 C ATOM 131 C TYR A 10 -13.393 0.599 2.673 1.00 0.28 C ATOM 132 O TYR A 10 -14.597 0.491 2.430 1.00 0.31 O ATOM 133 CB TYR A 10 -11.888 2.482 1.940 1.00 0.31 C ATOM 134 CG TYR A 10 -12.624 2.758 0.638 1.00 0.39 C ATOM 135 CD1 TYR A 10 -12.969 1.723 -0.226 1.00 0.47 C ATOM 136 CD2 TYR A 10 -12.992 4.051 0.283 1.00 0.50 C ATOM 137 CE1 TYR A 10 -13.656 1.969 -1.398 1.00 0.57 C ATOM 138 CE2 TYR A 10 -13.685 4.303 -0.885 1.00 0.59 C ATOM 139 CZ TYR A 10 -14.015 3.259 -1.721 1.00 0.60 C ATOM 140 OH TYR A 10 -14.715 3.505 -2.880 1.00 0.71 O ATOM 0 H TYR A 10 -11.044 2.115 4.222 1.00 0.28 H new ATOM 0 HA TYR A 10 -13.591 2.657 3.252 1.00 0.29 H new ATOM 0 HB2 TYR A 10 -11.410 3.402 2.275 1.00 0.31 H new ATOM 0 HB3 TYR A 10 -11.093 1.761 1.749 1.00 0.31 H new ATOM 0 HD1 TYR A 10 -12.694 0.709 0.025 1.00 0.47 H new ATOM 0 HD2 TYR A 10 -12.731 4.874 0.933 1.00 0.50 H new ATOM 0 HE1 TYR A 10 -13.911 1.154 -2.059 1.00 0.57 H new ATOM 0 HE2 TYR A 10 -13.967 5.314 -1.142 1.00 0.59 H new ATOM 0 HH TYR A 10 -14.110 3.436 -3.648 1.00 0.71 H new ATOM 150 N LEU A 11 -12.551 -0.430 2.628 1.00 0.27 N ATOM 151 CA LEU A 11 -12.972 -1.752 2.192 1.00 0.28 C ATOM 152 C LEU A 11 -13.999 -2.339 3.150 1.00 0.28 C ATOM 153 O LEU A 11 -15.002 -2.918 2.726 1.00 0.31 O ATOM 154 CB LEU A 11 -11.771 -2.694 2.092 1.00 0.32 C ATOM 155 CG LEU A 11 -10.558 -2.149 1.333 1.00 0.55 C ATOM 156 CD1 LEU A 11 -9.526 -3.246 1.129 1.00 1.14 C ATOM 157 CD2 LEU A 11 -10.969 -1.543 -0.001 1.00 1.24 C ATOM 0 H LEU A 11 -11.567 -0.369 2.891 1.00 0.27 H new ATOM 0 HA LEU A 11 -13.428 -1.647 1.208 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -11.456 -2.958 3.101 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -12.095 -3.615 1.608 1.00 0.32 H new ATOM 0 HG LEU A 11 -10.111 -1.357 1.934 1.00 0.55 H new ATOM 0 HD11 LEU A 11 -8.669 -2.844 0.588 1.00 1.14 H new ATOM 0 HD12 LEU A 11 -9.199 -3.623 2.098 1.00 1.14 H new ATOM 0 HD13 LEU A 11 -9.969 -4.060 0.554 1.00 1.14 H new ATOM 0 HD21 LEU A 11 -10.086 -1.165 -0.516 1.00 1.24 H new ATOM 0 HD22 LEU A 11 -11.448 -2.306 -0.615 1.00 1.24 H new ATOM 0 HD23 LEU A 11 -11.667 -0.724 0.171 1.00 1.24 H new ATOM 169 N GLU A 12 -13.746 -2.168 4.439 1.00 0.29 N ATOM 170 CA GLU A 12 -14.608 -2.712 5.477 1.00 0.34 C ATOM 171 C GLU A 12 -16.021 -2.154 5.369 1.00 0.39 C ATOM 172 O GLU A 12 -16.996 -2.902 5.341 1.00 0.43 O ATOM 173 CB GLU A 12 -14.035 -2.385 6.859 1.00 0.40 C ATOM 174 CG GLU A 12 -12.606 -2.855 7.045 1.00 0.39 C ATOM 175 CD GLU A 12 -12.059 -2.547 8.423 1.00 0.81 C ATOM 176 OE1 GLU A 12 -12.015 -1.364 8.807 1.00 1.22 O ATOM 177 OE2 GLU A 12 -11.669 -3.490 9.136 1.00 1.50 O ATOM 0 H GLU A 12 -12.941 -1.651 4.793 1.00 0.29 H new ATOM 0 HA GLU A 12 -14.652 -3.793 5.343 1.00 0.34 H new ATOM 0 HB2 GLU A 12 -14.079 -1.307 7.016 1.00 0.40 H new ATOM 0 HB3 GLU A 12 -14.663 -2.844 7.622 1.00 0.40 H new ATOM 0 HG2 GLU A 12 -12.557 -3.930 6.872 1.00 0.39 H new ATOM 0 HG3 GLU A 12 -11.973 -2.382 6.294 1.00 0.39 H new ATOM 184 N ARG A 13 -16.122 -0.840 5.277 1.00 0.40 N ATOM 185 CA ARG A 13 -17.409 -0.166 5.365 1.00 0.47 C ATOM 186 C ARG A 13 -18.205 -0.229 4.063 1.00 0.45 C ATOM 187 O ARG A 13 -19.436 -0.301 4.082 1.00 0.55 O ATOM 188 CB ARG A 13 -17.196 1.283 5.796 1.00 0.55 C ATOM 189 CG ARG A 13 -16.504 2.164 4.773 1.00 0.80 C ATOM 190 CD ARG A 13 -15.967 3.437 5.414 1.00 0.71 C ATOM 191 NE ARG A 13 -17.018 4.238 6.044 1.00 0.77 N ATOM 192 CZ ARG A 13 -17.036 4.566 7.338 1.00 0.92 C ATOM 193 NH1 ARG A 13 -16.110 4.092 8.165 1.00 1.19 N ATOM 194 NH2 ARG A 13 -17.993 5.353 7.805 1.00 1.10 N ATOM 0 H ARG A 13 -15.327 -0.215 5.141 1.00 0.40 H new ATOM 0 HA ARG A 13 -18.004 -0.692 6.111 1.00 0.47 H new ATOM 0 HB2 ARG A 13 -18.165 1.721 6.033 1.00 0.55 H new ATOM 0 HB3 ARG A 13 -16.609 1.290 6.715 1.00 0.55 H new ATOM 0 HG2 ARG A 13 -15.685 1.614 4.310 1.00 0.80 H new ATOM 0 HG3 ARG A 13 -17.204 2.422 3.978 1.00 0.80 H new ATOM 0 HD2 ARG A 13 -15.218 3.175 6.161 1.00 0.71 H new ATOM 0 HD3 ARG A 13 -15.464 4.037 4.656 1.00 0.71 H new ATOM 0 HE ARG A 13 -17.785 4.566 5.457 1.00 0.77 H new ATOM 0 HH11 ARG A 13 -15.380 3.474 7.812 1.00 1.19 H new ATOM 0 HH12 ARG A 13 -16.130 4.347 9.153 1.00 1.19 H new ATOM 0 HH21 ARG A 13 -18.714 5.707 7.177 1.00 1.10 H new ATOM 0 HH22 ARG A 13 -18.009 5.605 8.793 1.00 1.10 H new ATOM 208 N PHE A 14 -17.516 -0.194 2.935 1.00 0.40 N ATOM 209 CA PHE A 14 -18.204 -0.146 1.646 1.00 0.42 C ATOM 210 C PHE A 14 -18.264 -1.506 0.960 1.00 0.43 C ATOM 211 O PHE A 14 -19.314 -1.906 0.461 1.00 0.55 O ATOM 212 CB PHE A 14 -17.532 0.858 0.705 1.00 0.42 C ATOM 213 CG PHE A 14 -17.459 2.251 1.258 1.00 0.46 C ATOM 214 CD1 PHE A 14 -18.610 2.903 1.660 1.00 0.61 C ATOM 215 CD2 PHE A 14 -16.246 2.910 1.361 1.00 0.42 C ATOM 216 CE1 PHE A 14 -18.557 4.187 2.156 1.00 0.67 C ATOM 217 CE2 PHE A 14 -16.184 4.197 1.861 1.00 0.50 C ATOM 218 CZ PHE A 14 -17.306 4.818 2.299 1.00 0.60 C ATOM 0 H PHE A 14 -16.498 -0.198 2.879 1.00 0.40 H new ATOM 0 HA PHE A 14 -19.225 0.170 1.860 1.00 0.42 H new ATOM 0 HB2 PHE A 14 -16.523 0.513 0.481 1.00 0.42 H new ATOM 0 HB3 PHE A 14 -18.078 0.880 -0.238 1.00 0.42 H new ATOM 0 HD1 PHE A 14 -19.562 2.399 1.584 1.00 0.61 H new ATOM 0 HD2 PHE A 14 -15.339 2.414 1.048 1.00 0.42 H new ATOM 0 HE1 PHE A 14 -19.464 4.704 2.432 1.00 0.67 H new ATOM 0 HE2 PHE A 14 -15.235 4.711 1.903 1.00 0.50 H new ATOM 0 HZ PHE A 14 -17.241 5.794 2.756 1.00 0.60 H new ATOM 228 N SER A 15 -17.152 -2.223 0.946 1.00 0.39 N ATOM 229 CA SER A 15 -17.025 -3.378 0.063 1.00 0.46 C ATOM 230 C SER A 15 -17.401 -4.692 0.751 1.00 0.49 C ATOM 231 O SER A 15 -18.253 -5.434 0.257 1.00 0.59 O ATOM 232 CB SER A 15 -15.593 -3.454 -0.477 1.00 0.47 C ATOM 233 OG SER A 15 -15.422 -4.559 -1.348 1.00 1.46 O ATOM 0 H SER A 15 -16.334 -2.033 1.525 1.00 0.39 H new ATOM 0 HA SER A 15 -17.729 -3.241 -0.758 1.00 0.46 H new ATOM 0 HB2 SER A 15 -15.354 -2.532 -1.007 1.00 0.47 H new ATOM 0 HB3 SER A 15 -14.893 -3.534 0.355 1.00 0.47 H new ATOM 0 HG SER A 15 -14.499 -4.577 -1.676 1.00 1.46 H new ATOM 239 N LEU A 16 -16.796 -4.971 1.894 1.00 0.45 N ATOM 240 CA LEU A 16 -16.960 -6.273 2.531 1.00 0.51 C ATOM 241 C LEU A 16 -18.064 -6.277 3.577 1.00 0.57 C ATOM 242 O LEU A 16 -18.664 -7.318 3.844 1.00 0.67 O ATOM 243 CB LEU A 16 -15.645 -6.725 3.167 1.00 0.54 C ATOM 244 CG LEU A 16 -14.581 -7.218 2.184 1.00 0.57 C ATOM 245 CD1 LEU A 16 -13.232 -7.325 2.870 1.00 1.13 C ATOM 246 CD2 LEU A 16 -14.973 -8.567 1.602 1.00 1.33 C ATOM 0 H LEU A 16 -16.192 -4.322 2.398 1.00 0.45 H new ATOM 0 HA LEU A 16 -17.250 -6.972 1.746 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -15.232 -5.894 3.738 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -15.859 -7.524 3.877 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.508 -6.494 1.373 1.00 0.57 H new ATOM 0 HD11 LEU A 16 -12.488 -7.677 2.156 1.00 1.13 H new ATOM 0 HD12 LEU A 16 -12.938 -6.346 3.248 1.00 1.13 H new ATOM 0 HD13 LEU A 16 -13.300 -8.029 3.699 1.00 1.13 H new ATOM 0 HD21 LEU A 16 -14.204 -8.900 0.906 1.00 1.33 H new ATOM 0 HD22 LEU A 16 -15.074 -9.295 2.407 1.00 1.33 H new ATOM 0 HD23 LEU A 16 -15.923 -8.474 1.076 1.00 1.33 H new ATOM 258 N LYS A 17 -18.317 -5.108 4.172 1.00 0.56 N ATOM 259 CA LYS A 17 -19.281 -4.978 5.269 1.00 0.66 C ATOM 260 C LYS A 17 -18.831 -5.816 6.461 1.00 0.72 C ATOM 261 O LYS A 17 -19.629 -6.197 7.319 1.00 0.83 O ATOM 262 CB LYS A 17 -20.689 -5.385 4.823 1.00 0.75 C ATOM 263 CG LYS A 17 -21.251 -4.521 3.703 1.00 0.77 C ATOM 264 CD LYS A 17 -21.418 -3.072 4.137 1.00 1.12 C ATOM 265 CE LYS A 17 -21.974 -2.216 3.010 1.00 1.28 C ATOM 266 NZ LYS A 17 -22.124 -0.792 3.408 1.00 2.11 N ATOM 0 H LYS A 17 -17.864 -4.232 3.910 1.00 0.56 H new ATOM 0 HA LYS A 17 -19.320 -3.930 5.568 1.00 0.66 H new ATOM 0 HB2 LYS A 17 -20.670 -6.424 4.493 1.00 0.75 H new ATOM 0 HB3 LYS A 17 -21.361 -5.335 5.680 1.00 0.75 H new ATOM 0 HG2 LYS A 17 -20.587 -4.568 2.840 1.00 0.77 H new ATOM 0 HG3 LYS A 17 -22.215 -4.919 3.386 1.00 0.77 H new ATOM 0 HD2 LYS A 17 -22.086 -3.023 4.997 1.00 1.12 H new ATOM 0 HD3 LYS A 17 -20.456 -2.673 4.458 1.00 1.12 H new ATOM 0 HE2 LYS A 17 -21.313 -2.282 2.146 1.00 1.28 H new ATOM 0 HE3 LYS A 17 -22.943 -2.609 2.701 1.00 1.28 H new ATOM 0 HZ1 LYS A 17 -22.474 -0.240 2.599 1.00 2.11 H new ATOM 0 HZ2 LYS A 17 -22.801 -0.721 4.194 1.00 2.11 H new ATOM 0 HZ3 LYS A 17 -21.202 -0.417 3.710 1.00 2.11 H new ATOM 280 N ALA A 18 -17.535 -6.085 6.498 1.00 0.68 N ATOM 281 CA ALA A 18 -16.926 -6.878 7.546 1.00 0.75 C ATOM 282 C ALA A 18 -15.579 -6.275 7.899 1.00 0.72 C ATOM 283 O ALA A 18 -15.068 -5.432 7.163 1.00 0.96 O ATOM 284 CB ALA A 18 -16.766 -8.324 7.096 1.00 0.78 C ATOM 0 H ALA A 18 -16.874 -5.755 5.795 1.00 0.68 H new ATOM 0 HA ALA A 18 -17.567 -6.873 8.427 1.00 0.75 H new ATOM 0 HB1 ALA A 18 -16.307 -8.905 7.896 1.00 0.78 H new ATOM 0 HB2 ALA A 18 -17.745 -8.742 6.859 1.00 0.78 H new ATOM 0 HB3 ALA A 18 -16.132 -8.361 6.210 1.00 0.78 H new ATOM 290 N LYS A 19 -15.008 -6.700 9.010 1.00 0.64 N ATOM 291 CA LYS A 19 -13.771 -6.115 9.496 1.00 0.62 C ATOM 292 C LYS A 19 -12.566 -6.840 8.914 1.00 0.55 C ATOM 293 O LYS A 19 -12.484 -8.070 8.953 1.00 0.61 O ATOM 294 CB LYS A 19 -13.731 -6.169 11.024 1.00 0.72 C ATOM 295 CG LYS A 19 -13.095 -4.942 11.653 1.00 0.76 C ATOM 296 CD LYS A 19 -13.966 -3.708 11.452 1.00 1.24 C ATOM 297 CE LYS A 19 -13.362 -2.471 12.098 1.00 2.05 C ATOM 298 NZ LYS A 19 -12.029 -2.139 11.531 1.00 2.59 N ATOM 0 H LYS A 19 -15.381 -7.449 9.594 1.00 0.64 H new ATOM 0 HA LYS A 19 -13.732 -5.074 9.175 1.00 0.62 H new ATOM 0 HB2 LYS A 19 -14.747 -6.278 11.403 1.00 0.72 H new ATOM 0 HB3 LYS A 19 -13.178 -7.056 11.335 1.00 0.72 H new ATOM 0 HG2 LYS A 19 -12.943 -5.114 12.719 1.00 0.76 H new ATOM 0 HG3 LYS A 19 -12.112 -4.773 11.214 1.00 0.76 H new ATOM 0 HD2 LYS A 19 -14.101 -3.530 10.385 1.00 1.24 H new ATOM 0 HD3 LYS A 19 -14.955 -3.890 11.873 1.00 1.24 H new ATOM 0 HE2 LYS A 19 -14.035 -1.625 11.960 1.00 2.05 H new ATOM 0 HE3 LYS A 19 -13.269 -2.632 13.172 1.00 2.05 H new ATOM 0 HZ1 LYS A 19 -11.315 -2.164 12.286 1.00 2.59 H new ATOM 0 HZ2 LYS A 19 -11.781 -2.833 10.797 1.00 2.59 H new ATOM 0 HZ3 LYS A 19 -12.057 -1.188 11.112 1.00 2.59 H new ATOM 312 N ILE A 20 -11.642 -6.066 8.373 1.00 0.48 N ATOM 313 CA ILE A 20 -10.419 -6.599 7.809 1.00 0.45 C ATOM 314 C ILE A 20 -9.541 -7.167 8.922 1.00 0.54 C ATOM 315 O ILE A 20 -9.336 -6.524 9.955 1.00 0.61 O ATOM 316 CB ILE A 20 -9.653 -5.503 7.037 1.00 0.41 C ATOM 317 CG1 ILE A 20 -10.408 -5.100 5.766 1.00 0.34 C ATOM 318 CG2 ILE A 20 -8.244 -5.961 6.684 1.00 0.47 C ATOM 319 CD1 ILE A 20 -10.576 -6.229 4.777 1.00 0.30 C ATOM 0 H ILE A 20 -11.720 -5.051 8.313 1.00 0.48 H new ATOM 0 HA ILE A 20 -10.675 -7.396 7.111 1.00 0.45 H new ATOM 0 HB ILE A 20 -9.579 -4.633 7.690 1.00 0.41 H new ATOM 0 HG12 ILE A 20 -11.392 -4.722 6.043 1.00 0.34 H new ATOM 0 HG13 ILE A 20 -9.876 -4.281 5.282 1.00 0.34 H new ATOM 0 HG21 ILE A 20 -7.729 -5.168 6.141 1.00 0.47 H new ATOM 0 HG22 ILE A 20 -7.696 -6.190 7.598 1.00 0.47 H new ATOM 0 HG23 ILE A 20 -8.297 -6.853 6.060 1.00 0.47 H new ATOM 0 HD11 ILE A 20 -11.119 -5.869 3.903 1.00 0.30 H new ATOM 0 HD12 ILE A 20 -9.595 -6.593 4.470 1.00 0.30 H new ATOM 0 HD13 ILE A 20 -11.135 -7.041 5.243 1.00 0.30 H new ATOM 331 N ASN A 21 -9.041 -8.374 8.713 1.00 0.59 N ATOM 332 CA ASN A 21 -8.242 -9.061 9.715 1.00 0.73 C ATOM 333 C ASN A 21 -7.065 -9.755 9.030 1.00 0.75 C ATOM 334 O ASN A 21 -6.921 -9.660 7.814 1.00 0.71 O ATOM 335 CB ASN A 21 -9.117 -10.078 10.462 1.00 0.83 C ATOM 336 CG ASN A 21 -8.526 -10.517 11.787 1.00 1.27 C ATOM 337 OD1 ASN A 21 -7.775 -11.486 11.853 1.00 1.96 O ATOM 338 ND2 ASN A 21 -8.875 -9.815 12.851 1.00 1.76 N ATOM 0 H ASN A 21 -9.176 -8.902 7.851 1.00 0.59 H new ATOM 0 HA ASN A 21 -7.853 -8.345 10.439 1.00 0.73 H new ATOM 0 HB2 ASN A 21 -10.100 -9.642 10.637 1.00 0.83 H new ATOM 0 HB3 ASN A 21 -9.265 -10.954 9.830 1.00 0.83 H new ATOM 0 HD21 ASN A 21 -8.518 -10.072 13.771 1.00 1.76 H new ATOM 0 HD22 ASN A 21 -9.502 -9.016 12.752 1.00 1.76 H new ATOM 345 N ASN A 22 -6.229 -10.450 9.785 1.00 0.88 N ATOM 346 CA ASN A 22 -5.117 -11.186 9.187 1.00 0.98 C ATOM 347 C ASN A 22 -5.643 -12.424 8.464 1.00 0.93 C ATOM 348 O ASN A 22 -4.989 -12.969 7.575 1.00 1.05 O ATOM 349 CB ASN A 22 -4.071 -11.584 10.243 1.00 1.19 C ATOM 350 CG ASN A 22 -4.571 -12.636 11.221 1.00 1.98 C ATOM 351 OD1 ASN A 22 -4.497 -13.834 10.952 1.00 2.79 O ATOM 352 ND2 ASN A 22 -5.052 -12.198 12.376 1.00 2.54 N ATOM 0 H ASN A 22 -6.294 -10.522 10.800 1.00 0.88 H new ATOM 0 HA ASN A 22 -4.625 -10.532 8.468 1.00 0.98 H new ATOM 0 HB2 ASN A 22 -3.181 -11.961 9.739 1.00 1.19 H new ATOM 0 HB3 ASN A 22 -3.770 -10.696 10.799 1.00 1.19 H new ATOM 0 HD21 ASN A 22 -5.377 -12.863 13.078 1.00 2.54 H new ATOM 0 HD22 ASN A 22 -5.097 -11.196 12.563 1.00 2.54 H new ATOM 359 N THR A 23 -6.839 -12.848 8.848 1.00 0.85 N ATOM 360 CA THR A 23 -7.472 -14.014 8.258 1.00 0.88 C ATOM 361 C THR A 23 -8.182 -13.673 6.947 1.00 0.71 C ATOM 362 O THR A 23 -8.367 -14.539 6.090 1.00 0.74 O ATOM 363 CB THR A 23 -8.475 -14.639 9.242 1.00 1.04 C ATOM 364 OG1 THR A 23 -9.259 -13.605 9.856 1.00 1.30 O ATOM 365 CG2 THR A 23 -7.749 -15.443 10.311 1.00 1.69 C ATOM 0 H THR A 23 -7.394 -12.394 9.574 1.00 0.85 H new ATOM 0 HA THR A 23 -6.682 -14.733 8.039 1.00 0.88 H new ATOM 0 HB THR A 23 -9.131 -15.312 8.690 1.00 1.04 H new ATOM 0 HG1 THR A 23 -9.898 -14.007 10.481 1.00 1.30 H new ATOM 0 HG21 THR A 23 -8.477 -15.877 10.997 1.00 1.69 H new ATOM 0 HG22 THR A 23 -7.175 -16.240 9.839 1.00 1.69 H new ATOM 0 HG23 THR A 23 -7.075 -14.788 10.863 1.00 1.69 H new ATOM 373 N THR A 24 -8.576 -12.412 6.790 1.00 0.57 N ATOM 374 CA THR A 24 -9.268 -11.980 5.583 1.00 0.45 C ATOM 375 C THR A 24 -8.279 -11.821 4.436 1.00 0.42 C ATOM 376 O THR A 24 -7.336 -11.033 4.518 1.00 0.50 O ATOM 377 CB THR A 24 -10.018 -10.649 5.803 1.00 0.44 C ATOM 378 OG1 THR A 24 -9.118 -9.649 6.291 1.00 1.08 O ATOM 379 CG2 THR A 24 -11.163 -10.824 6.790 1.00 0.92 C ATOM 0 H THR A 24 -8.428 -11.676 7.481 1.00 0.57 H new ATOM 0 HA THR A 24 -10.000 -12.748 5.333 1.00 0.45 H new ATOM 0 HB THR A 24 -10.428 -10.334 4.844 1.00 0.44 H new ATOM 0 HG1 THR A 24 -8.265 -10.067 6.534 1.00 1.08 H new ATOM 0 HG21 THR A 24 -11.674 -9.871 6.927 1.00 0.92 H new ATOM 0 HG22 THR A 24 -11.867 -11.561 6.404 1.00 0.92 H new ATOM 0 HG23 THR A 24 -10.769 -11.165 7.747 1.00 0.92 H new ATOM 387 N ASN A 25 -8.491 -12.577 3.375 1.00 0.43 N ATOM 388 CA ASN A 25 -7.637 -12.493 2.203 1.00 0.52 C ATOM 389 C ASN A 25 -8.137 -11.390 1.289 1.00 0.50 C ATOM 390 O ASN A 25 -9.150 -11.548 0.607 1.00 0.52 O ATOM 391 CB ASN A 25 -7.597 -13.828 1.446 1.00 0.64 C ATOM 392 CG ASN A 25 -6.748 -14.886 2.136 1.00 0.91 C ATOM 393 OD1 ASN A 25 -6.125 -15.715 1.476 1.00 1.72 O ATOM 394 ND2 ASN A 25 -6.726 -14.878 3.460 1.00 1.40 N ATOM 0 H ASN A 25 -9.248 -13.257 3.300 1.00 0.43 H new ATOM 0 HA ASN A 25 -6.623 -12.265 2.531 1.00 0.52 H new ATOM 0 HB2 ASN A 25 -8.614 -14.205 1.333 1.00 0.64 H new ATOM 0 HB3 ASN A 25 -7.207 -13.657 0.442 1.00 0.64 H new ATOM 0 HD21 ASN A 25 -6.179 -15.575 3.965 1.00 1.40 H new ATOM 0 HD22 ASN A 25 -7.256 -14.174 3.975 1.00 1.40 H new ATOM 401 N LEU A 26 -7.416 -10.269 1.289 1.00 0.56 N ATOM 402 CA LEU A 26 -7.808 -9.088 0.526 1.00 0.60 C ATOM 403 C LEU A 26 -8.046 -9.420 -0.940 1.00 0.60 C ATOM 404 O LEU A 26 -8.888 -8.805 -1.577 1.00 0.63 O ATOM 405 CB LEU A 26 -6.747 -7.979 0.630 1.00 0.68 C ATOM 406 CG LEU A 26 -6.734 -7.177 1.938 1.00 0.78 C ATOM 407 CD1 LEU A 26 -8.122 -6.658 2.262 1.00 1.36 C ATOM 408 CD2 LEU A 26 -6.183 -8.007 3.090 1.00 1.61 C ATOM 0 H LEU A 26 -6.549 -10.156 1.815 1.00 0.56 H new ATOM 0 HA LEU A 26 -8.742 -8.731 0.960 1.00 0.60 H new ATOM 0 HB2 LEU A 26 -5.764 -8.431 0.495 1.00 0.68 H new ATOM 0 HB3 LEU A 26 -6.895 -7.284 -0.197 1.00 0.68 H new ATOM 0 HG LEU A 26 -6.072 -6.322 1.800 1.00 0.78 H new ATOM 0 HD11 LEU A 26 -8.091 -6.092 3.193 1.00 1.36 H new ATOM 0 HD12 LEU A 26 -8.466 -6.011 1.455 1.00 1.36 H new ATOM 0 HD13 LEU A 26 -8.808 -7.498 2.371 1.00 1.36 H new ATOM 0 HD21 LEU A 26 -6.187 -7.411 4.002 1.00 1.61 H new ATOM 0 HD22 LEU A 26 -6.805 -8.891 3.232 1.00 1.61 H new ATOM 0 HD23 LEU A 26 -5.162 -8.314 2.862 1.00 1.61 H new ATOM 420 N ASP A 27 -7.308 -10.401 -1.452 1.00 0.60 N ATOM 421 CA ASP A 27 -7.394 -10.810 -2.859 1.00 0.61 C ATOM 422 C ASP A 27 -8.836 -10.999 -3.315 1.00 0.64 C ATOM 423 O ASP A 27 -9.222 -10.529 -4.388 1.00 0.71 O ATOM 424 CB ASP A 27 -6.632 -12.120 -3.067 1.00 0.63 C ATOM 425 CG ASP A 27 -6.749 -12.652 -4.487 1.00 0.60 C ATOM 426 OD1 ASP A 27 -7.744 -13.342 -4.792 1.00 0.73 O ATOM 427 OD2 ASP A 27 -5.829 -12.404 -5.297 1.00 0.80 O ATOM 0 H ASP A 27 -6.633 -10.937 -0.907 1.00 0.60 H new ATOM 0 HA ASP A 27 -6.951 -10.012 -3.454 1.00 0.61 H new ATOM 0 HB2 ASP A 27 -5.580 -11.965 -2.828 1.00 0.63 H new ATOM 0 HB3 ASP A 27 -7.010 -12.869 -2.371 1.00 0.63 H new ATOM 432 N TYR A 28 -9.631 -11.651 -2.473 1.00 0.70 N ATOM 433 CA TYR A 28 -10.989 -12.040 -2.830 1.00 0.84 C ATOM 434 C TYR A 28 -11.903 -10.837 -3.064 1.00 0.89 C ATOM 435 O TYR A 28 -13.008 -10.992 -3.576 1.00 1.21 O ATOM 436 CB TYR A 28 -11.571 -12.970 -1.765 1.00 0.96 C ATOM 437 CG TYR A 28 -11.063 -14.392 -1.881 1.00 0.93 C ATOM 438 CD1 TYR A 28 -9.857 -14.755 -1.303 1.00 1.09 C ATOM 439 CD2 TYR A 28 -11.790 -15.369 -2.550 1.00 1.22 C ATOM 440 CE1 TYR A 28 -9.386 -16.050 -1.383 1.00 1.13 C ATOM 441 CE2 TYR A 28 -11.324 -16.669 -2.638 1.00 1.31 C ATOM 442 CZ TYR A 28 -10.139 -17.001 -2.141 1.00 1.08 C ATOM 443 OH TYR A 28 -9.651 -18.295 -2.120 1.00 1.22 O ATOM 0 H TYR A 28 -9.354 -11.923 -1.530 1.00 0.70 H new ATOM 0 HA TYR A 28 -10.933 -12.576 -3.778 1.00 0.84 H new ATOM 0 HB2 TYR A 28 -11.325 -12.581 -0.777 1.00 0.96 H new ATOM 0 HB3 TYR A 28 -12.658 -12.970 -1.845 1.00 0.96 H new ATOM 0 HD1 TYR A 28 -9.275 -14.011 -0.780 1.00 1.09 H new ATOM 0 HD2 TYR A 28 -12.733 -15.110 -3.008 1.00 1.22 H new ATOM 0 HE1 TYR A 28 -8.472 -16.338 -0.886 1.00 1.13 H new ATOM 0 HE2 TYR A 28 -11.932 -17.422 -3.117 1.00 1.31 H new ATOM 0 HH TYR A 28 -10.229 -18.871 -2.662 1.00 1.22 H new ATOM 453 N SER A 29 -11.470 -9.656 -2.655 1.00 0.70 N ATOM 454 CA SER A 29 -12.155 -8.429 -3.042 1.00 0.71 C ATOM 455 C SER A 29 -11.257 -7.585 -3.939 1.00 0.59 C ATOM 456 O SER A 29 -11.687 -7.060 -4.964 1.00 0.61 O ATOM 457 CB SER A 29 -12.539 -7.618 -1.812 1.00 0.81 C ATOM 458 OG SER A 29 -12.994 -8.466 -0.774 1.00 1.03 O ATOM 0 H SER A 29 -10.654 -9.519 -2.059 1.00 0.70 H new ATOM 0 HA SER A 29 -13.059 -8.703 -3.585 1.00 0.71 H new ATOM 0 HB2 SER A 29 -11.680 -7.042 -1.467 1.00 0.81 H new ATOM 0 HB3 SER A 29 -13.319 -6.902 -2.071 1.00 0.81 H new ATOM 0 HG SER A 29 -12.458 -8.313 0.032 1.00 1.03 H new ATOM 464 N ARG A 30 -9.992 -7.502 -3.534 1.00 0.54 N ATOM 465 CA ARG A 30 -9.016 -6.583 -4.108 1.00 0.52 C ATOM 466 C ARG A 30 -8.900 -6.744 -5.620 1.00 0.42 C ATOM 467 O ARG A 30 -8.757 -5.758 -6.336 1.00 0.40 O ATOM 468 CB ARG A 30 -7.648 -6.804 -3.437 1.00 0.58 C ATOM 469 CG ARG A 30 -6.663 -5.668 -3.620 1.00 0.86 C ATOM 470 CD ARG A 30 -7.100 -4.441 -2.851 1.00 1.15 C ATOM 471 NE ARG A 30 -6.089 -3.388 -2.875 1.00 1.84 N ATOM 472 CZ ARG A 30 -6.373 -2.089 -2.832 1.00 2.40 C ATOM 473 NH1 ARG A 30 -7.639 -1.682 -2.823 1.00 2.56 N ATOM 474 NH2 ARG A 30 -5.389 -1.197 -2.811 1.00 3.30 N ATOM 0 H ARG A 30 -9.612 -8.081 -2.786 1.00 0.54 H new ATOM 0 HA ARG A 30 -9.358 -5.565 -3.920 1.00 0.52 H new ATOM 0 HB2 ARG A 30 -7.803 -6.964 -2.370 1.00 0.58 H new ATOM 0 HB3 ARG A 30 -7.206 -7.718 -3.835 1.00 0.58 H new ATOM 0 HG2 ARG A 30 -5.675 -5.981 -3.282 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -6.575 -5.425 -4.679 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -8.029 -4.060 -3.275 1.00 1.15 H new ATOM 0 HD3 ARG A 30 -7.310 -4.717 -1.818 1.00 1.15 H new ATOM 0 HE ARG A 30 -5.109 -3.664 -2.928 1.00 1.84 H new ATOM 0 HH11 ARG A 30 -8.395 -2.366 -2.849 1.00 2.56 H new ATOM 0 HH12 ARG A 30 -7.854 -0.685 -2.790 1.00 2.56 H new ATOM 0 HH21 ARG A 30 -4.418 -1.508 -2.828 1.00 3.30 H new ATOM 0 HH22 ARG A 30 -5.605 -0.201 -2.778 1.00 3.30 H new ATOM 488 N ARG A 31 -8.997 -7.975 -6.108 1.00 0.42 N ATOM 489 CA ARG A 31 -8.834 -8.236 -7.535 1.00 0.45 C ATOM 490 C ARG A 31 -9.954 -7.590 -8.353 1.00 0.46 C ATOM 491 O ARG A 31 -9.755 -7.208 -9.504 1.00 0.57 O ATOM 492 CB ARG A 31 -8.786 -9.740 -7.805 1.00 0.57 C ATOM 493 CG ARG A 31 -8.327 -10.087 -9.215 1.00 0.83 C ATOM 494 CD ARG A 31 -8.173 -11.586 -9.409 1.00 1.22 C ATOM 495 NE ARG A 31 -9.455 -12.276 -9.532 1.00 1.73 N ATOM 496 CZ ARG A 31 -9.745 -13.417 -8.908 1.00 2.33 C ATOM 497 NH1 ARG A 31 -8.862 -13.973 -8.087 1.00 2.65 N ATOM 498 NH2 ARG A 31 -10.918 -14.008 -9.113 1.00 3.18 N ATOM 0 H ARG A 31 -9.186 -8.803 -5.543 1.00 0.42 H new ATOM 0 HA ARG A 31 -7.889 -7.791 -7.845 1.00 0.45 H new ATOM 0 HB2 ARG A 31 -8.114 -10.209 -7.086 1.00 0.57 H new ATOM 0 HB3 ARG A 31 -9.777 -10.163 -7.639 1.00 0.57 H new ATOM 0 HG2 ARG A 31 -9.047 -9.700 -9.936 1.00 0.83 H new ATOM 0 HG3 ARG A 31 -7.376 -9.595 -9.418 1.00 0.83 H new ATOM 0 HD2 ARG A 31 -7.578 -11.773 -10.303 1.00 1.22 H new ATOM 0 HD3 ARG A 31 -7.621 -12.002 -8.566 1.00 1.22 H new ATOM 0 HE ARG A 31 -10.169 -11.860 -10.130 1.00 1.73 H new ATOM 0 HH11 ARG A 31 -7.958 -13.527 -7.932 1.00 2.65 H new ATOM 0 HH12 ARG A 31 -9.088 -14.846 -7.611 1.00 2.65 H new ATOM 0 HH21 ARG A 31 -11.597 -13.588 -9.748 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -11.139 -14.881 -8.635 1.00 3.18 H new ATOM 512 N PHE A 32 -11.129 -7.449 -7.752 1.00 0.45 N ATOM 513 CA PHE A 32 -12.275 -6.882 -8.455 1.00 0.49 C ATOM 514 C PHE A 32 -12.356 -5.384 -8.207 1.00 0.43 C ATOM 515 O PHE A 32 -13.170 -4.681 -8.806 1.00 0.49 O ATOM 516 CB PHE A 32 -13.571 -7.544 -7.988 1.00 0.59 C ATOM 517 CG PHE A 32 -13.461 -9.026 -7.821 1.00 0.98 C ATOM 518 CD1 PHE A 32 -13.255 -9.853 -8.911 1.00 1.54 C ATOM 519 CD2 PHE A 32 -13.556 -9.588 -6.565 1.00 1.11 C ATOM 520 CE1 PHE A 32 -13.147 -11.217 -8.747 1.00 2.18 C ATOM 521 CE2 PHE A 32 -13.450 -10.948 -6.393 1.00 1.68 C ATOM 522 CZ PHE A 32 -13.245 -11.768 -7.485 1.00 2.21 C ATOM 0 H PHE A 32 -11.314 -7.717 -6.785 1.00 0.45 H new ATOM 0 HA PHE A 32 -12.145 -7.065 -9.522 1.00 0.49 H new ATOM 0 HB2 PHE A 32 -13.873 -7.101 -7.039 1.00 0.59 H new ATOM 0 HB3 PHE A 32 -14.360 -7.326 -8.707 1.00 0.59 H new ATOM 0 HD1 PHE A 32 -13.178 -9.425 -9.900 1.00 1.54 H new ATOM 0 HD2 PHE A 32 -13.716 -8.952 -5.707 1.00 1.11 H new ATOM 0 HE1 PHE A 32 -12.986 -11.854 -9.604 1.00 2.18 H new ATOM 0 HE2 PHE A 32 -13.527 -11.375 -5.404 1.00 1.68 H new ATOM 0 HZ PHE A 32 -13.162 -12.837 -7.352 1.00 2.21 H new ATOM 532 N LEU A 33 -11.503 -4.903 -7.317 1.00 0.41 N ATOM 533 CA LEU A 33 -11.491 -3.498 -6.949 1.00 0.39 C ATOM 534 C LEU A 33 -10.553 -2.715 -7.864 1.00 0.30 C ATOM 535 O LEU A 33 -10.547 -1.486 -7.851 1.00 0.31 O ATOM 536 CB LEU A 33 -11.067 -3.339 -5.482 1.00 0.47 C ATOM 537 CG LEU A 33 -11.905 -4.122 -4.471 1.00 0.63 C ATOM 538 CD1 LEU A 33 -11.436 -3.832 -3.054 1.00 0.74 C ATOM 539 CD2 LEU A 33 -13.384 -3.797 -4.623 1.00 0.72 C ATOM 0 H LEU A 33 -10.806 -5.470 -6.834 1.00 0.41 H new ATOM 0 HA LEU A 33 -12.498 -3.098 -7.066 1.00 0.39 H new ATOM 0 HB2 LEU A 33 -10.027 -3.651 -5.386 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -11.108 -2.281 -5.222 1.00 0.47 H new ATOM 0 HG LEU A 33 -11.771 -5.185 -4.669 1.00 0.63 H new ATOM 0 HD11 LEU A 33 -12.043 -4.397 -2.347 1.00 0.74 H new ATOM 0 HD12 LEU A 33 -10.391 -4.124 -2.950 1.00 0.74 H new ATOM 0 HD13 LEU A 33 -11.537 -2.766 -2.848 1.00 0.74 H new ATOM 0 HD21 LEU A 33 -13.959 -4.367 -3.893 1.00 0.72 H new ATOM 0 HD22 LEU A 33 -13.541 -2.731 -4.457 1.00 0.72 H new ATOM 0 HD23 LEU A 33 -13.713 -4.060 -5.628 1.00 0.72 H new ATOM 551 N GLU A 34 -9.783 -3.445 -8.673 1.00 0.27 N ATOM 552 CA GLU A 34 -8.817 -2.846 -9.602 1.00 0.25 C ATOM 553 C GLU A 34 -9.394 -1.677 -10.410 1.00 0.25 C ATOM 554 O GLU A 34 -8.793 -0.604 -10.434 1.00 0.26 O ATOM 555 CB GLU A 34 -8.263 -3.899 -10.563 1.00 0.28 C ATOM 556 CG GLU A 34 -6.986 -4.552 -10.077 1.00 0.35 C ATOM 557 CD GLU A 34 -6.374 -5.476 -11.109 1.00 0.48 C ATOM 558 OE1 GLU A 34 -5.727 -4.985 -12.057 1.00 0.71 O ATOM 559 OE2 GLU A 34 -6.547 -6.709 -10.979 1.00 0.65 O ATOM 0 H GLU A 34 -9.809 -4.464 -8.705 1.00 0.27 H new ATOM 0 HA GLU A 34 -8.016 -2.447 -8.979 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.018 -4.669 -10.719 1.00 0.28 H new ATOM 0 HB3 GLU A 34 -8.077 -3.433 -11.531 1.00 0.28 H new ATOM 0 HG2 GLU A 34 -6.264 -3.779 -9.814 1.00 0.35 H new ATOM 0 HG3 GLU A 34 -7.194 -5.116 -9.168 1.00 0.35 H new ATOM 566 N PRO A 35 -10.551 -1.847 -11.091 1.00 0.28 N ATOM 567 CA PRO A 35 -11.137 -0.779 -11.912 1.00 0.33 C ATOM 568 C PRO A 35 -11.429 0.502 -11.122 1.00 0.32 C ATOM 569 O PRO A 35 -11.525 1.584 -11.700 1.00 0.36 O ATOM 570 CB PRO A 35 -12.438 -1.389 -12.447 1.00 0.41 C ATOM 571 CG PRO A 35 -12.705 -2.575 -11.589 1.00 0.54 C ATOM 572 CD PRO A 35 -11.363 -3.078 -11.151 1.00 0.30 C ATOM 0 HA PRO A 35 -10.446 -0.467 -12.695 1.00 0.33 H new ATOM 0 HB2 PRO A 35 -13.258 -0.673 -12.393 1.00 0.41 H new ATOM 0 HB3 PRO A 35 -12.335 -1.677 -13.493 1.00 0.41 H new ATOM 0 HG2 PRO A 35 -13.320 -2.305 -10.730 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -13.248 -3.342 -12.141 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -11.415 -3.575 -10.182 1.00 0.30 H new ATOM 0 HD3 PRO A 35 -10.952 -3.799 -11.858 1.00 0.30 H new ATOM 580 N PHE A 36 -11.581 0.376 -9.807 1.00 0.32 N ATOM 581 CA PHE A 36 -11.778 1.543 -8.955 1.00 0.36 C ATOM 582 C PHE A 36 -10.435 2.155 -8.574 1.00 0.34 C ATOM 583 O PHE A 36 -10.289 3.378 -8.531 1.00 0.37 O ATOM 584 CB PHE A 36 -12.562 1.187 -7.688 1.00 0.44 C ATOM 585 CG PHE A 36 -12.652 2.335 -6.720 1.00 0.51 C ATOM 586 CD1 PHE A 36 -13.543 3.375 -6.939 1.00 0.58 C ATOM 587 CD2 PHE A 36 -11.862 2.363 -5.583 1.00 0.57 C ATOM 588 CE1 PHE A 36 -13.642 4.419 -6.042 1.00 0.67 C ATOM 589 CE2 PHE A 36 -11.959 3.405 -4.680 1.00 0.67 C ATOM 590 CZ PHE A 36 -12.784 4.480 -4.959 1.00 0.72 C ATOM 0 H PHE A 36 -11.572 -0.516 -9.312 1.00 0.32 H new ATOM 0 HA PHE A 36 -12.359 2.270 -9.523 1.00 0.36 H new ATOM 0 HB2 PHE A 36 -13.568 0.871 -7.965 1.00 0.44 H new ATOM 0 HB3 PHE A 36 -12.085 0.339 -7.197 1.00 0.44 H new ATOM 0 HD1 PHE A 36 -14.166 3.368 -7.821 1.00 0.58 H new ATOM 0 HD2 PHE A 36 -11.162 1.561 -5.400 1.00 0.57 H new ATOM 0 HE1 PHE A 36 -14.388 5.187 -6.185 1.00 0.67 H new ATOM 0 HE2 PHE A 36 -11.393 3.380 -3.760 1.00 0.67 H new ATOM 0 HZ PHE A 36 -12.758 5.361 -4.335 1.00 0.72 H new ATOM 600 N LEU A 37 -9.460 1.294 -8.299 1.00 0.32 N ATOM 601 CA LEU A 37 -8.122 1.736 -7.907 1.00 0.34 C ATOM 602 C LEU A 37 -7.461 2.521 -9.029 1.00 0.30 C ATOM 603 O LEU A 37 -6.583 3.352 -8.788 1.00 0.31 O ATOM 604 CB LEU A 37 -7.243 0.535 -7.534 1.00 0.39 C ATOM 605 CG LEU A 37 -7.357 0.036 -6.089 1.00 0.47 C ATOM 606 CD1 LEU A 37 -6.824 1.076 -5.125 1.00 1.04 C ATOM 607 CD2 LEU A 37 -8.789 -0.320 -5.734 1.00 0.90 C ATOM 0 H LEU A 37 -9.571 0.281 -8.340 1.00 0.32 H new ATOM 0 HA LEU A 37 -8.228 2.384 -7.037 1.00 0.34 H new ATOM 0 HB2 LEU A 37 -7.489 -0.290 -8.202 1.00 0.39 H new ATOM 0 HB3 LEU A 37 -6.203 0.799 -7.724 1.00 0.39 H new ATOM 0 HG LEU A 37 -6.755 -0.869 -6.005 1.00 0.47 H new ATOM 0 HD11 LEU A 37 -6.913 0.705 -4.104 1.00 1.04 H new ATOM 0 HD12 LEU A 37 -5.776 1.276 -5.349 1.00 1.04 H new ATOM 0 HD13 LEU A 37 -7.399 1.996 -5.228 1.00 1.04 H new ATOM 0 HD21 LEU A 37 -8.832 -0.670 -4.703 1.00 0.90 H new ATOM 0 HD22 LEU A 37 -9.421 0.561 -5.845 1.00 0.90 H new ATOM 0 HD23 LEU A 37 -9.144 -1.107 -6.399 1.00 0.90 H new ATOM 619 N ARG A 38 -7.890 2.245 -10.251 1.00 0.30 N ATOM 620 CA ARG A 38 -7.373 2.927 -11.421 1.00 0.34 C ATOM 621 C ARG A 38 -7.732 4.407 -11.394 1.00 0.34 C ATOM 622 O ARG A 38 -8.862 4.798 -11.705 1.00 0.43 O ATOM 623 CB ARG A 38 -7.931 2.295 -12.690 1.00 0.45 C ATOM 624 CG ARG A 38 -7.335 2.871 -13.963 1.00 0.56 C ATOM 625 CD ARG A 38 -8.219 2.584 -15.156 1.00 0.90 C ATOM 626 NE ARG A 38 -9.456 3.362 -15.112 1.00 1.91 N ATOM 627 CZ ARG A 38 -10.676 2.838 -15.209 1.00 2.44 C ATOM 628 NH1 ARG A 38 -10.840 1.523 -15.278 1.00 2.16 N ATOM 629 NH2 ARG A 38 -11.738 3.638 -15.195 1.00 3.59 N ATOM 0 H ARG A 38 -8.603 1.545 -10.456 1.00 0.30 H new ATOM 0 HA ARG A 38 -6.287 2.829 -11.412 1.00 0.34 H new ATOM 0 HB2 ARG A 38 -7.745 1.221 -12.664 1.00 0.45 H new ATOM 0 HB3 ARG A 38 -9.012 2.431 -12.710 1.00 0.45 H new ATOM 0 HG2 ARG A 38 -7.206 3.948 -13.853 1.00 0.56 H new ATOM 0 HG3 ARG A 38 -6.345 2.446 -14.129 1.00 0.56 H new ATOM 0 HD2 ARG A 38 -7.677 2.813 -16.074 1.00 0.90 H new ATOM 0 HD3 ARG A 38 -8.458 1.521 -15.184 1.00 0.90 H new ATOM 0 HE ARG A 38 -9.379 4.373 -15.000 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -10.028 0.906 -15.257 1.00 2.16 H new ATOM 0 HH12 ARG A 38 -11.778 1.129 -15.352 1.00 2.16 H new ATOM 0 HH21 ARG A 38 -11.615 4.647 -15.110 1.00 3.59 H new ATOM 0 HH22 ARG A 38 -12.675 3.243 -15.269 1.00 3.59 H new ATOM 643 N GLY A 39 -6.768 5.221 -11.016 1.00 0.29 N ATOM 644 CA GLY A 39 -6.948 6.655 -11.061 1.00 0.29 C ATOM 645 C GLY A 39 -7.400 7.255 -9.745 1.00 0.28 C ATOM 646 O GLY A 39 -8.112 8.259 -9.740 1.00 0.38 O ATOM 0 H GLY A 39 -5.856 4.915 -10.676 1.00 0.29 H new ATOM 0 HA2 GLY A 39 -6.009 7.121 -11.359 1.00 0.29 H new ATOM 0 HA3 GLY A 39 -7.681 6.896 -11.831 1.00 0.29 H new ATOM 650 N ILE A 40 -6.989 6.669 -8.623 1.00 0.26 N ATOM 651 CA ILE A 40 -7.286 7.288 -7.329 1.00 0.25 C ATOM 652 C ILE A 40 -6.059 8.034 -6.834 1.00 0.26 C ATOM 653 O ILE A 40 -4.988 7.926 -7.422 1.00 0.32 O ATOM 654 CB ILE A 40 -7.736 6.295 -6.220 1.00 0.23 C ATOM 655 CG1 ILE A 40 -6.695 5.198 -5.995 1.00 0.21 C ATOM 656 CG2 ILE A 40 -9.100 5.692 -6.534 1.00 0.24 C ATOM 657 CD1 ILE A 40 -6.913 4.414 -4.713 1.00 0.23 C ATOM 0 H ILE A 40 -6.466 5.795 -8.578 1.00 0.26 H new ATOM 0 HA ILE A 40 -8.129 7.954 -7.511 1.00 0.25 H new ATOM 0 HB ILE A 40 -7.826 6.864 -5.295 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -6.714 4.510 -6.840 1.00 0.21 H new ATOM 0 HG13 ILE A 40 -5.703 5.648 -5.973 1.00 0.21 H new ATOM 0 HG21 ILE A 40 -9.385 5.003 -5.739 1.00 0.24 H new ATOM 0 HG22 ILE A 40 -9.841 6.488 -6.607 1.00 0.24 H new ATOM 0 HG23 ILE A 40 -9.051 5.154 -7.481 1.00 0.24 H new ATOM 0 HD11 ILE A 40 -6.139 3.652 -4.616 1.00 0.23 H new ATOM 0 HD12 ILE A 40 -6.865 5.091 -3.860 1.00 0.23 H new ATOM 0 HD13 ILE A 40 -7.892 3.935 -4.741 1.00 0.23 H new ATOM 669 N ASN A 41 -6.209 8.802 -5.772 1.00 0.31 N ATOM 670 CA ASN A 41 -5.066 9.441 -5.148 1.00 0.33 C ATOM 671 C ASN A 41 -5.055 9.092 -3.671 1.00 0.32 C ATOM 672 O ASN A 41 -6.083 9.175 -2.997 1.00 0.40 O ATOM 673 CB ASN A 41 -5.079 10.963 -5.364 1.00 0.43 C ATOM 674 CG ASN A 41 -6.129 11.695 -4.539 1.00 1.11 C ATOM 675 OD1 ASN A 41 -7.278 11.835 -4.963 1.00 1.99 O ATOM 676 ND2 ASN A 41 -5.737 12.186 -3.367 1.00 1.65 N ATOM 0 H ASN A 41 -7.105 8.998 -5.325 1.00 0.31 H new ATOM 0 HA ASN A 41 -4.153 9.071 -5.614 1.00 0.33 H new ATOM 0 HB2 ASN A 41 -4.095 11.363 -5.119 1.00 0.43 H new ATOM 0 HB3 ASN A 41 -5.253 11.169 -6.420 1.00 0.43 H new ATOM 0 HD21 ASN A 41 -6.397 12.700 -2.783 1.00 1.65 H new ATOM 0 HD22 ASN A 41 -4.777 12.048 -3.052 1.00 1.65 H new ATOM 683 N VAL A 42 -3.909 8.671 -3.172 1.00 0.29 N ATOM 684 CA VAL A 42 -3.821 8.215 -1.801 1.00 0.31 C ATOM 685 C VAL A 42 -2.881 9.092 -1.003 1.00 0.23 C ATOM 686 O VAL A 42 -1.797 9.445 -1.464 1.00 0.23 O ATOM 687 CB VAL A 42 -3.355 6.742 -1.705 1.00 0.39 C ATOM 688 CG1 VAL A 42 -4.403 5.805 -2.277 1.00 0.66 C ATOM 689 CG2 VAL A 42 -2.019 6.541 -2.407 1.00 0.93 C ATOM 0 H VAL A 42 -3.032 8.636 -3.692 1.00 0.29 H new ATOM 0 HA VAL A 42 -4.826 8.281 -1.384 1.00 0.31 H new ATOM 0 HB VAL A 42 -3.221 6.505 -0.650 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -4.053 4.776 -2.198 1.00 0.66 H new ATOM 0 HG12 VAL A 42 -5.333 5.915 -1.719 1.00 0.66 H new ATOM 0 HG13 VAL A 42 -4.577 6.050 -3.325 1.00 0.66 H new ATOM 0 HG21 VAL A 42 -1.717 5.497 -2.323 1.00 0.93 H new ATOM 0 HG22 VAL A 42 -2.117 6.807 -3.460 1.00 0.93 H new ATOM 0 HG23 VAL A 42 -1.264 7.175 -1.942 1.00 0.93 H new ATOM 699 N VAL A 43 -3.313 9.463 0.181 1.00 0.21 N ATOM 700 CA VAL A 43 -2.459 10.170 1.103 1.00 0.19 C ATOM 701 C VAL A 43 -1.723 9.140 1.937 1.00 0.21 C ATOM 702 O VAL A 43 -2.296 8.518 2.832 1.00 0.24 O ATOM 703 CB VAL A 43 -3.280 11.108 2.008 1.00 0.22 C ATOM 704 CG1 VAL A 43 -2.379 11.978 2.864 1.00 0.22 C ATOM 705 CG2 VAL A 43 -4.201 11.974 1.169 1.00 0.25 C ATOM 0 H VAL A 43 -4.256 9.285 0.528 1.00 0.21 H new ATOM 0 HA VAL A 43 -1.752 10.790 0.552 1.00 0.19 H new ATOM 0 HB VAL A 43 -3.881 10.489 2.674 1.00 0.22 H new ATOM 0 HG11 VAL A 43 -2.990 12.628 3.491 1.00 0.22 H new ATOM 0 HG12 VAL A 43 -1.756 11.345 3.496 1.00 0.22 H new ATOM 0 HG13 VAL A 43 -1.743 12.587 2.221 1.00 0.22 H new ATOM 0 HG21 VAL A 43 -4.775 12.632 1.821 1.00 0.25 H new ATOM 0 HG22 VAL A 43 -3.608 12.574 0.479 1.00 0.25 H new ATOM 0 HG23 VAL A 43 -4.882 11.339 0.603 1.00 0.25 H new ATOM 715 N TYR A 44 -0.464 8.933 1.613 1.00 0.22 N ATOM 716 CA TYR A 44 0.303 7.867 2.218 1.00 0.26 C ATOM 717 C TYR A 44 0.966 8.348 3.494 1.00 0.31 C ATOM 718 O TYR A 44 1.706 9.332 3.487 1.00 0.37 O ATOM 719 CB TYR A 44 1.350 7.350 1.230 1.00 0.31 C ATOM 720 CG TYR A 44 1.923 6.004 1.606 1.00 0.52 C ATOM 721 CD1 TYR A 44 1.257 4.826 1.295 1.00 0.36 C ATOM 722 CD2 TYR A 44 3.138 5.915 2.272 1.00 1.24 C ATOM 723 CE1 TYR A 44 1.786 3.596 1.638 1.00 0.71 C ATOM 724 CE2 TYR A 44 3.675 4.691 2.617 1.00 1.69 C ATOM 725 CZ TYR A 44 2.962 3.519 2.295 1.00 1.41 C ATOM 726 OH TYR A 44 3.529 2.312 2.636 1.00 1.85 O ATOM 0 H TYR A 44 0.050 9.491 0.932 1.00 0.22 H new ATOM 0 HA TYR A 44 -0.372 7.050 2.472 1.00 0.26 H new ATOM 0 HB2 TYR A 44 0.900 7.280 0.240 1.00 0.31 H new ATOM 0 HB3 TYR A 44 2.161 8.075 1.161 1.00 0.31 H new ATOM 0 HD1 TYR A 44 0.311 4.872 0.777 1.00 0.36 H new ATOM 0 HD2 TYR A 44 3.672 6.819 2.525 1.00 1.24 H new ATOM 0 HE1 TYR A 44 1.255 2.692 1.379 1.00 0.71 H new ATOM 0 HE2 TYR A 44 4.626 4.633 3.125 1.00 1.69 H new ATOM 0 HH TYR A 44 4.407 2.466 3.044 1.00 1.85 H new ATOM 736 N THR A 45 0.674 7.665 4.588 1.00 0.32 N ATOM 737 CA THR A 45 1.306 7.955 5.859 1.00 0.39 C ATOM 738 C THR A 45 2.491 7.018 6.081 1.00 0.41 C ATOM 739 O THR A 45 2.309 5.833 6.370 1.00 0.44 O ATOM 740 CB THR A 45 0.298 7.825 7.017 1.00 0.47 C ATOM 741 OG1 THR A 45 -0.518 6.657 6.834 1.00 1.27 O ATOM 742 CG2 THR A 45 -0.587 9.061 7.107 1.00 0.96 C ATOM 0 H THR A 45 -0.002 6.901 4.619 1.00 0.32 H new ATOM 0 HA THR A 45 1.666 8.984 5.836 1.00 0.39 H new ATOM 0 HB THR A 45 0.859 7.731 7.947 1.00 0.47 H new ATOM 0 HG1 THR A 45 0.051 5.893 6.604 1.00 1.27 H new ATOM 0 HG21 THR A 45 -1.290 8.946 7.932 1.00 0.96 H new ATOM 0 HG22 THR A 45 0.033 9.941 7.279 1.00 0.96 H new ATOM 0 HG23 THR A 45 -1.138 9.183 6.175 1.00 0.96 H new ATOM 750 N PRO A 46 3.717 7.538 5.922 1.00 0.45 N ATOM 751 CA PRO A 46 4.939 6.738 6.024 1.00 0.51 C ATOM 752 C PRO A 46 5.205 6.273 7.451 1.00 0.52 C ATOM 753 O PRO A 46 4.886 6.970 8.417 1.00 0.57 O ATOM 754 CB PRO A 46 6.049 7.694 5.557 1.00 0.56 C ATOM 755 CG PRO A 46 5.348 8.869 4.963 1.00 0.58 C ATOM 756 CD PRO A 46 4.014 8.947 5.641 1.00 0.51 C ATOM 0 HA PRO A 46 4.874 5.827 5.430 1.00 0.51 H new ATOM 0 HB2 PRO A 46 6.682 7.997 6.392 1.00 0.56 H new ATOM 0 HB3 PRO A 46 6.697 7.213 4.824 1.00 0.56 H new ATOM 0 HG2 PRO A 46 5.919 9.784 5.121 1.00 0.58 H new ATOM 0 HG3 PRO A 46 5.231 8.749 3.886 1.00 0.58 H new ATOM 0 HD2 PRO A 46 4.057 9.542 6.553 1.00 0.51 H new ATOM 0 HD3 PRO A 46 3.259 9.401 4.999 1.00 0.51 H new ATOM 764 N PRO A 47 5.766 5.063 7.594 1.00 0.60 N ATOM 765 CA PRO A 47 6.135 4.500 8.897 1.00 0.68 C ATOM 766 C PRO A 47 7.088 5.401 9.673 1.00 0.62 C ATOM 767 O PRO A 47 7.920 6.085 9.073 1.00 0.56 O ATOM 768 CB PRO A 47 6.824 3.183 8.532 1.00 0.82 C ATOM 769 CG PRO A 47 6.270 2.830 7.198 1.00 0.86 C ATOM 770 CD PRO A 47 6.059 4.135 6.490 1.00 0.73 C ATOM 0 HA PRO A 47 5.268 4.379 9.547 1.00 0.68 H new ATOM 0 HB2 PRO A 47 7.907 3.299 8.494 1.00 0.82 H new ATOM 0 HB3 PRO A 47 6.612 2.407 9.268 1.00 0.82 H new ATOM 0 HG2 PRO A 47 6.958 2.191 6.645 1.00 0.86 H new ATOM 0 HG3 PRO A 47 5.333 2.281 7.295 1.00 0.86 H new ATOM 0 HD2 PRO A 47 6.944 4.439 5.930 1.00 0.73 H new ATOM 0 HD3 PRO A 47 5.235 4.080 5.778 1.00 0.73 H new ATOM 778 N GLN A 48 6.970 5.389 10.996 1.00 0.73 N ATOM 779 CA GLN A 48 7.668 6.346 11.854 1.00 0.79 C ATOM 780 C GLN A 48 9.161 6.429 11.530 1.00 0.67 C ATOM 781 O GLN A 48 9.701 7.522 11.350 1.00 0.73 O ATOM 782 CB GLN A 48 7.482 5.960 13.323 1.00 1.03 C ATOM 783 CG GLN A 48 7.942 7.034 14.298 1.00 0.91 C ATOM 784 CD GLN A 48 7.112 8.300 14.198 1.00 1.24 C ATOM 785 OE1 GLN A 48 7.433 9.213 13.433 1.00 1.91 O ATOM 786 NE2 GLN A 48 6.032 8.359 14.961 1.00 1.84 N ATOM 0 H GLN A 48 6.391 4.720 11.504 1.00 0.73 H new ATOM 0 HA GLN A 48 7.234 7.328 11.668 1.00 0.79 H new ATOM 0 HB2 GLN A 48 6.429 5.745 13.503 1.00 1.03 H new ATOM 0 HB3 GLN A 48 8.033 5.041 13.521 1.00 1.03 H new ATOM 0 HG2 GLN A 48 7.886 6.646 15.315 1.00 0.91 H new ATOM 0 HG3 GLN A 48 8.988 7.272 14.105 1.00 0.91 H new ATOM 0 HE21 GLN A 48 5.802 7.582 15.580 1.00 1.84 H new ATOM 0 HE22 GLN A 48 5.430 9.182 14.930 1.00 1.84 H new ATOM 795 N SER A 49 9.803 5.272 11.419 1.00 0.60 N ATOM 796 CA SER A 49 11.247 5.191 11.212 1.00 0.59 C ATOM 797 C SER A 49 11.702 5.815 9.886 1.00 0.62 C ATOM 798 O SER A 49 12.885 6.111 9.710 1.00 0.71 O ATOM 799 CB SER A 49 11.684 3.731 11.286 1.00 0.71 C ATOM 800 OG SER A 49 11.314 3.166 12.531 1.00 1.55 O ATOM 0 H SER A 49 9.340 4.365 11.470 1.00 0.60 H new ATOM 0 HA SER A 49 11.723 5.771 12.003 1.00 0.59 H new ATOM 0 HB2 SER A 49 11.227 3.167 10.473 1.00 0.71 H new ATOM 0 HB3 SER A 49 12.764 3.661 11.155 1.00 0.71 H new ATOM 0 HG SER A 49 10.776 2.361 12.378 1.00 1.55 H new ATOM 806 N PHE A 50 10.774 6.011 8.956 1.00 0.62 N ATOM 807 CA PHE A 50 11.095 6.673 7.695 1.00 0.66 C ATOM 808 C PHE A 50 11.289 8.162 7.927 1.00 0.67 C ATOM 809 O PHE A 50 12.058 8.816 7.217 1.00 0.79 O ATOM 810 CB PHE A 50 9.985 6.457 6.661 1.00 0.69 C ATOM 811 CG PHE A 50 10.020 5.116 5.989 1.00 0.71 C ATOM 812 CD1 PHE A 50 9.635 3.979 6.679 1.00 0.80 C ATOM 813 CD2 PHE A 50 10.436 4.989 4.678 1.00 0.91 C ATOM 814 CE1 PHE A 50 9.666 2.741 6.072 1.00 0.89 C ATOM 815 CE2 PHE A 50 10.470 3.755 4.063 1.00 1.01 C ATOM 816 CZ PHE A 50 10.082 2.643 4.729 1.00 0.93 C ATOM 0 H PHE A 50 9.800 5.724 9.049 1.00 0.62 H new ATOM 0 HA PHE A 50 12.017 6.238 7.309 1.00 0.66 H new ATOM 0 HB2 PHE A 50 9.019 6.580 7.151 1.00 0.69 H new ATOM 0 HB3 PHE A 50 10.057 7.234 5.900 1.00 0.69 H new ATOM 0 HD1 PHE A 50 9.307 4.063 7.704 1.00 0.80 H new ATOM 0 HD2 PHE A 50 10.739 5.867 4.127 1.00 0.91 H new ATOM 0 HE1 PHE A 50 9.375 1.857 6.620 1.00 0.89 H new ATOM 0 HE2 PHE A 50 10.809 3.676 3.041 1.00 1.01 H new ATOM 0 HZ PHE A 50 10.091 1.684 4.233 1.00 0.93 H new ATOM 826 N GLN A 51 10.589 8.677 8.941 1.00 0.62 N ATOM 827 CA GLN A 51 10.594 10.100 9.269 1.00 0.70 C ATOM 828 C GLN A 51 10.272 10.932 8.035 1.00 0.62 C ATOM 829 O GLN A 51 10.909 11.946 7.756 1.00 0.72 O ATOM 830 CB GLN A 51 11.934 10.518 9.882 1.00 0.93 C ATOM 831 CG GLN A 51 12.278 9.746 11.143 1.00 1.08 C ATOM 832 CD GLN A 51 13.471 10.321 11.877 1.00 1.45 C ATOM 833 OE1 GLN A 51 14.359 10.919 11.275 1.00 1.53 O ATOM 834 NE2 GLN A 51 13.500 10.137 13.185 1.00 2.20 N ATOM 0 H GLN A 51 10.002 8.115 9.558 1.00 0.62 H new ATOM 0 HA GLN A 51 9.819 10.282 10.014 1.00 0.70 H new ATOM 0 HB2 GLN A 51 12.725 10.372 9.146 1.00 0.93 H new ATOM 0 HB3 GLN A 51 11.905 11.583 10.112 1.00 0.93 H new ATOM 0 HG2 GLN A 51 11.415 9.743 11.809 1.00 1.08 H new ATOM 0 HG3 GLN A 51 12.483 8.708 10.883 1.00 1.08 H new ATOM 0 HE21 GLN A 51 12.742 9.634 13.646 1.00 2.20 H new ATOM 0 HE22 GLN A 51 14.281 10.498 13.734 1.00 2.20 H new ATOM 843 N SER A 52 9.276 10.478 7.294 1.00 0.51 N ATOM 844 CA SER A 52 8.849 11.149 6.086 1.00 0.50 C ATOM 845 C SER A 52 7.475 11.767 6.310 1.00 0.48 C ATOM 846 O SER A 52 6.810 11.476 7.308 1.00 0.54 O ATOM 847 CB SER A 52 8.816 10.153 4.922 1.00 0.53 C ATOM 848 OG SER A 52 8.675 10.810 3.674 1.00 1.18 O ATOM 0 H SER A 52 8.744 9.636 7.515 1.00 0.51 H new ATOM 0 HA SER A 52 9.553 11.943 5.836 1.00 0.50 H new ATOM 0 HB2 SER A 52 9.733 9.563 4.921 1.00 0.53 H new ATOM 0 HB3 SER A 52 7.989 9.457 5.062 1.00 0.53 H new ATOM 0 HG SER A 52 8.659 10.145 2.954 1.00 1.18 H new ATOM 854 N ALA A 53 7.059 12.610 5.383 1.00 0.54 N ATOM 855 CA ALA A 53 5.815 13.346 5.514 1.00 0.60 C ATOM 856 C ALA A 53 4.732 12.736 4.630 1.00 0.51 C ATOM 857 O ALA A 53 5.033 12.194 3.565 1.00 0.50 O ATOM 858 CB ALA A 53 6.048 14.803 5.148 1.00 0.80 C ATOM 0 H ALA A 53 7.571 12.803 4.522 1.00 0.54 H new ATOM 0 HA ALA A 53 5.474 13.288 6.548 1.00 0.60 H new ATOM 0 HB1 ALA A 53 5.114 15.357 5.246 1.00 0.80 H new ATOM 0 HB2 ALA A 53 6.795 15.231 5.816 1.00 0.80 H new ATOM 0 HB3 ALA A 53 6.402 14.868 4.119 1.00 0.80 H new ATOM 864 N PRO A 54 3.459 12.796 5.073 1.00 0.50 N ATOM 865 CA PRO A 54 2.318 12.300 4.293 1.00 0.43 C ATOM 866 C PRO A 54 2.318 12.862 2.877 1.00 0.38 C ATOM 867 O PRO A 54 2.487 14.065 2.679 1.00 0.41 O ATOM 868 CB PRO A 54 1.103 12.803 5.074 1.00 0.47 C ATOM 869 CG PRO A 54 1.588 12.950 6.473 1.00 0.63 C ATOM 870 CD PRO A 54 3.035 13.352 6.372 1.00 0.57 C ATOM 0 HA PRO A 54 2.336 11.217 4.175 1.00 0.43 H new ATOM 0 HB2 PRO A 54 0.743 13.752 4.678 1.00 0.47 H new ATOM 0 HB3 PRO A 54 0.274 12.098 5.014 1.00 0.47 H new ATOM 0 HG2 PRO A 54 1.011 13.703 7.009 1.00 0.63 H new ATOM 0 HG3 PRO A 54 1.481 12.015 7.023 1.00 0.63 H new ATOM 0 HD2 PRO A 54 3.153 14.435 6.402 1.00 0.57 H new ATOM 0 HD3 PRO A 54 3.623 12.944 7.194 1.00 0.57 H new ATOM 878 N ARG A 55 2.132 11.992 1.900 1.00 0.37 N ATOM 879 CA ARG A 55 2.293 12.375 0.508 1.00 0.40 C ATOM 880 C ARG A 55 1.209 11.742 -0.359 1.00 0.31 C ATOM 881 O ARG A 55 0.868 10.575 -0.181 1.00 0.31 O ATOM 882 CB ARG A 55 3.677 11.938 0.036 1.00 0.60 C ATOM 883 CG ARG A 55 4.048 12.409 -1.356 1.00 1.07 C ATOM 884 CD ARG A 55 5.453 11.962 -1.710 1.00 1.04 C ATOM 885 NE ARG A 55 5.860 12.387 -3.044 1.00 1.50 N ATOM 886 CZ ARG A 55 6.812 11.788 -3.753 1.00 1.68 C ATOM 887 NH1 ARG A 55 7.392 10.681 -3.292 1.00 1.47 N ATOM 888 NH2 ARG A 55 7.160 12.274 -4.939 1.00 2.51 N ATOM 0 H ARG A 55 1.870 11.017 2.044 1.00 0.37 H new ATOM 0 HA ARG A 55 2.197 13.457 0.418 1.00 0.40 H new ATOM 0 HB2 ARG A 55 4.421 12.309 0.741 1.00 0.60 H new ATOM 0 HB3 ARG A 55 3.728 10.850 0.063 1.00 0.60 H new ATOM 0 HG2 ARG A 55 3.339 12.011 -2.082 1.00 1.07 H new ATOM 0 HG3 ARG A 55 3.981 13.496 -1.409 1.00 1.07 H new ATOM 0 HD2 ARG A 55 6.153 12.362 -0.976 1.00 1.04 H new ATOM 0 HD3 ARG A 55 5.511 10.875 -1.646 1.00 1.04 H new ATOM 0 HE ARG A 55 5.387 13.191 -3.457 1.00 1.50 H new ATOM 0 HH11 ARG A 55 7.106 10.292 -2.394 1.00 1.47 H new ATOM 0 HH12 ARG A 55 8.122 10.223 -3.837 1.00 1.47 H new ATOM 0 HH21 ARG A 55 6.697 13.106 -5.305 1.00 2.51 H new ATOM 0 HH22 ARG A 55 7.890 11.815 -5.484 1.00 2.51 H new ATOM 902 N VAL A 56 0.669 12.520 -1.287 1.00 0.35 N ATOM 903 CA VAL A 56 -0.376 12.033 -2.179 1.00 0.35 C ATOM 904 C VAL A 56 0.230 11.322 -3.389 1.00 0.38 C ATOM 905 O VAL A 56 1.136 11.848 -4.038 1.00 0.53 O ATOM 906 CB VAL A 56 -1.278 13.190 -2.664 1.00 0.49 C ATOM 907 CG1 VAL A 56 -2.364 12.680 -3.598 1.00 1.13 C ATOM 908 CG2 VAL A 56 -1.891 13.921 -1.480 1.00 1.25 C ATOM 0 H VAL A 56 0.937 13.492 -1.442 1.00 0.35 H new ATOM 0 HA VAL A 56 -0.983 11.325 -1.614 1.00 0.35 H new ATOM 0 HB VAL A 56 -0.657 13.892 -3.220 1.00 0.49 H new ATOM 0 HG11 VAL A 56 -2.985 13.515 -3.925 1.00 1.13 H new ATOM 0 HG12 VAL A 56 -1.905 12.208 -4.466 1.00 1.13 H new ATOM 0 HG13 VAL A 56 -2.982 11.952 -3.074 1.00 1.13 H new ATOM 0 HG21 VAL A 56 -2.523 14.732 -1.841 1.00 1.25 H new ATOM 0 HG22 VAL A 56 -2.492 13.225 -0.895 1.00 1.25 H new ATOM 0 HG23 VAL A 56 -1.098 14.330 -0.854 1.00 1.25 H new ATOM 918 N TYR A 57 -0.265 10.126 -3.686 1.00 0.30 N ATOM 919 CA TYR A 57 0.192 9.376 -4.847 1.00 0.33 C ATOM 920 C TYR A 57 -0.987 9.048 -5.744 1.00 0.29 C ATOM 921 O TYR A 57 -2.067 8.714 -5.258 1.00 0.25 O ATOM 922 CB TYR A 57 0.889 8.075 -4.434 1.00 0.36 C ATOM 923 CG TYR A 57 2.206 8.268 -3.715 1.00 0.47 C ATOM 924 CD1 TYR A 57 3.363 8.590 -4.413 1.00 0.70 C ATOM 925 CD2 TYR A 57 2.287 8.144 -2.335 1.00 0.46 C ATOM 926 CE1 TYR A 57 4.564 8.781 -3.756 1.00 0.82 C ATOM 927 CE2 TYR A 57 3.484 8.331 -1.669 1.00 0.56 C ATOM 928 CZ TYR A 57 4.636 8.596 -2.400 1.00 0.70 C ATOM 929 OH TYR A 57 5.813 8.841 -1.723 1.00 0.83 O ATOM 0 H TYR A 57 -0.984 9.655 -3.137 1.00 0.30 H new ATOM 0 HA TYR A 57 0.910 9.996 -5.384 1.00 0.33 H new ATOM 0 HB2 TYR A 57 0.218 7.507 -3.790 1.00 0.36 H new ATOM 0 HB3 TYR A 57 1.061 7.472 -5.325 1.00 0.36 H new ATOM 0 HD1 TYR A 57 3.323 8.693 -5.487 1.00 0.70 H new ATOM 0 HD2 TYR A 57 1.399 7.897 -1.772 1.00 0.46 H new ATOM 0 HE1 TYR A 57 5.443 9.075 -4.310 1.00 0.82 H new ATOM 0 HE2 TYR A 57 3.524 8.272 -0.591 1.00 0.56 H new ATOM 0 HH TYR A 57 6.424 8.084 -1.844 1.00 0.83 H new ATOM 939 N ARG A 58 -0.783 9.153 -7.042 1.00 0.36 N ATOM 940 CA ARG A 58 -1.811 8.794 -8.000 1.00 0.34 C ATOM 941 C ARG A 58 -1.701 7.306 -8.303 1.00 0.32 C ATOM 942 O ARG A 58 -0.742 6.850 -8.925 1.00 0.39 O ATOM 943 CB ARG A 58 -1.679 9.646 -9.268 1.00 0.41 C ATOM 944 CG ARG A 58 -2.840 9.525 -10.251 1.00 0.47 C ATOM 945 CD ARG A 58 -2.704 8.319 -11.170 1.00 1.05 C ATOM 946 NE ARG A 58 -3.769 8.283 -12.168 1.00 1.91 N ATOM 947 CZ ARG A 58 -3.932 7.311 -13.059 1.00 2.95 C ATOM 948 NH1 ARG A 58 -3.092 6.288 -13.104 1.00 3.38 N ATOM 949 NH2 ARG A 58 -4.937 7.369 -13.920 1.00 3.81 N ATOM 0 H ARG A 58 0.087 9.485 -7.459 1.00 0.36 H new ATOM 0 HA ARG A 58 -2.799 8.992 -7.584 1.00 0.34 H new ATOM 0 HB2 ARG A 58 -1.577 10.691 -8.976 1.00 0.41 H new ATOM 0 HB3 ARG A 58 -0.758 9.367 -9.781 1.00 0.41 H new ATOM 0 HG2 ARG A 58 -3.775 9.451 -9.696 1.00 0.47 H new ATOM 0 HG3 ARG A 58 -2.898 10.432 -10.853 1.00 0.47 H new ATOM 0 HD2 ARG A 58 -1.736 8.349 -11.670 1.00 1.05 H new ATOM 0 HD3 ARG A 58 -2.728 7.404 -10.578 1.00 1.05 H new ATOM 0 HE ARG A 58 -4.433 9.057 -12.182 1.00 1.91 H new ATOM 0 HH11 ARG A 58 -2.310 6.241 -12.450 1.00 3.38 H new ATOM 0 HH12 ARG A 58 -3.227 5.547 -13.792 1.00 3.38 H new ATOM 0 HH21 ARG A 58 -5.583 8.158 -13.898 1.00 3.81 H new ATOM 0 HH22 ARG A 58 -5.065 6.624 -14.605 1.00 3.81 H new ATOM 963 N VAL A 59 -2.680 6.561 -7.833 1.00 0.29 N ATOM 964 CA VAL A 59 -2.681 5.117 -7.950 1.00 0.27 C ATOM 965 C VAL A 59 -3.192 4.686 -9.317 1.00 0.27 C ATOM 966 O VAL A 59 -4.314 5.032 -9.715 1.00 0.29 O ATOM 967 CB VAL A 59 -3.546 4.485 -6.847 1.00 0.23 C ATOM 968 CG1 VAL A 59 -3.518 2.967 -6.931 1.00 0.25 C ATOM 969 CG2 VAL A 59 -3.078 4.960 -5.479 1.00 0.24 C ATOM 0 H VAL A 59 -3.499 6.940 -7.358 1.00 0.29 H new ATOM 0 HA VAL A 59 -1.654 4.771 -7.835 1.00 0.27 H new ATOM 0 HB VAL A 59 -4.578 4.805 -6.994 1.00 0.23 H new ATOM 0 HG11 VAL A 59 -4.138 2.547 -6.139 1.00 0.25 H new ATOM 0 HG12 VAL A 59 -3.903 2.649 -7.900 1.00 0.25 H new ATOM 0 HG13 VAL A 59 -2.493 2.615 -6.814 1.00 0.25 H new ATOM 0 HG21 VAL A 59 -3.697 4.507 -4.705 1.00 0.24 H new ATOM 0 HG22 VAL A 59 -2.038 4.669 -5.329 1.00 0.24 H new ATOM 0 HG23 VAL A 59 -3.163 6.045 -5.422 1.00 0.24 H new ATOM 979 N ASN A 60 -2.348 3.940 -10.024 1.00 0.28 N ATOM 980 CA ASN A 60 -2.651 3.457 -11.366 1.00 0.32 C ATOM 981 C ASN A 60 -3.584 2.264 -11.297 1.00 0.35 C ATOM 982 O ASN A 60 -4.467 2.095 -12.138 1.00 0.46 O ATOM 983 CB ASN A 60 -1.364 3.037 -12.086 1.00 0.39 C ATOM 984 CG ASN A 60 -0.327 4.139 -12.155 1.00 1.24 C ATOM 985 OD1 ASN A 60 -0.658 5.321 -12.241 1.00 1.61 O ATOM 986 ND2 ASN A 60 0.941 3.755 -12.104 1.00 2.10 N ATOM 0 H ASN A 60 -1.432 3.653 -9.680 1.00 0.28 H new ATOM 0 HA ASN A 60 -3.130 4.267 -11.917 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -0.935 2.176 -11.574 1.00 0.39 H new ATOM 0 HB3 ASN A 60 -1.611 2.716 -13.098 1.00 0.39 H new ATOM 0 HD21 ASN A 60 1.686 4.451 -12.136 1.00 2.10 H new ATOM 0 HD22 ASN A 60 1.171 2.764 -12.033 1.00 2.10 H new ATOM 993 N GLY A 61 -3.365 1.427 -10.296 1.00 0.29 N ATOM 994 CA GLY A 61 -4.175 0.242 -10.121 1.00 0.35 C ATOM 995 C GLY A 61 -3.615 -0.656 -9.047 1.00 0.30 C ATOM 996 O GLY A 61 -3.131 -0.174 -8.023 1.00 0.24 O ATOM 0 H GLY A 61 -2.634 1.549 -9.596 1.00 0.29 H new ATOM 0 HA2 GLY A 61 -5.193 0.531 -9.861 1.00 0.35 H new ATOM 0 HA3 GLY A 61 -4.230 -0.305 -11.062 1.00 0.35 H new ATOM 1000 N LEU A 62 -3.648 -1.956 -9.277 1.00 0.40 N ATOM 1001 CA LEU A 62 -3.221 -2.906 -8.265 1.00 0.37 C ATOM 1002 C LEU A 62 -2.212 -3.907 -8.796 1.00 0.40 C ATOM 1003 O LEU A 62 -2.056 -4.088 -10.008 1.00 0.46 O ATOM 1004 CB LEU A 62 -4.429 -3.640 -7.698 1.00 0.36 C ATOM 1005 CG LEU A 62 -5.360 -2.764 -6.872 1.00 0.36 C ATOM 1006 CD1 LEU A 62 -6.574 -3.549 -6.413 1.00 0.41 C ATOM 1007 CD2 LEU A 62 -4.601 -2.196 -5.686 1.00 0.42 C ATOM 0 H LEU A 62 -3.964 -2.377 -10.151 1.00 0.40 H new ATOM 0 HA LEU A 62 -2.728 -2.337 -7.477 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -4.994 -4.076 -8.521 1.00 0.36 H new ATOM 0 HB3 LEU A 62 -4.080 -4.466 -7.078 1.00 0.36 H new ATOM 0 HG LEU A 62 -5.716 -1.941 -7.491 1.00 0.36 H new ATOM 0 HD11 LEU A 62 -7.225 -2.902 -5.825 1.00 0.41 H new ATOM 0 HD12 LEU A 62 -7.119 -3.918 -7.282 1.00 0.41 H new ATOM 0 HD13 LEU A 62 -6.252 -4.392 -5.802 1.00 0.41 H new ATOM 0 HD21 LEU A 62 -5.267 -1.569 -5.094 1.00 0.42 H new ATOM 0 HD22 LEU A 62 -4.228 -3.013 -5.068 1.00 0.42 H new ATOM 0 HD23 LEU A 62 -3.762 -1.598 -6.043 1.00 0.42 H new ATOM 1019 N SER A 63 -1.515 -4.525 -7.863 1.00 0.39 N ATOM 1020 CA SER A 63 -0.544 -5.551 -8.160 1.00 0.45 C ATOM 1021 C SER A 63 -1.190 -6.924 -8.036 1.00 0.43 C ATOM 1022 O SER A 63 -2.211 -7.078 -7.364 1.00 0.51 O ATOM 1023 CB SER A 63 0.610 -5.421 -7.179 1.00 0.53 C ATOM 1024 OG SER A 63 0.961 -4.057 -7.017 1.00 1.45 O ATOM 0 H SER A 63 -1.610 -4.324 -6.868 1.00 0.39 H new ATOM 0 HA SER A 63 -0.175 -5.436 -9.179 1.00 0.45 H new ATOM 0 HB2 SER A 63 0.329 -5.849 -6.217 1.00 0.53 H new ATOM 0 HB3 SER A 63 1.470 -5.985 -7.540 1.00 0.53 H new ATOM 0 HG SER A 63 0.338 -3.631 -6.392 1.00 1.45 H new ATOM 1030 N ARG A 64 -0.591 -7.917 -8.675 1.00 0.51 N ATOM 1031 CA ARG A 64 -1.167 -9.252 -8.713 1.00 0.56 C ATOM 1032 C ARG A 64 -0.704 -10.076 -7.513 1.00 0.47 C ATOM 1033 O ARG A 64 -1.161 -11.202 -7.306 1.00 0.54 O ATOM 1034 CB ARG A 64 -0.786 -9.953 -10.021 1.00 0.75 C ATOM 1035 CG ARG A 64 -1.699 -11.113 -10.379 1.00 1.20 C ATOM 1036 CD ARG A 64 -3.130 -10.639 -10.582 1.00 1.80 C ATOM 1037 NE ARG A 64 -4.045 -11.735 -10.896 1.00 2.42 N ATOM 1038 CZ ARG A 64 -5.218 -11.563 -11.504 1.00 3.15 C ATOM 1039 NH1 ARG A 64 -5.588 -10.353 -11.911 1.00 3.47 N ATOM 1040 NH2 ARG A 64 -6.024 -12.596 -11.707 1.00 3.98 N ATOM 0 H ARG A 64 0.294 -7.824 -9.174 1.00 0.51 H new ATOM 0 HA ARG A 64 -2.252 -9.161 -8.665 1.00 0.56 H new ATOM 0 HB2 ARG A 64 -0.803 -9.225 -10.832 1.00 0.75 H new ATOM 0 HB3 ARG A 64 0.238 -10.319 -9.942 1.00 0.75 H new ATOM 0 HG2 ARG A 64 -1.340 -11.596 -11.288 1.00 1.20 H new ATOM 0 HG3 ARG A 64 -1.669 -11.862 -9.587 1.00 1.20 H new ATOM 0 HD2 ARG A 64 -3.472 -10.132 -9.680 1.00 1.80 H new ATOM 0 HD3 ARG A 64 -3.155 -9.907 -11.389 1.00 1.80 H new ATOM 0 HE ARG A 64 -3.771 -12.682 -10.636 1.00 2.42 H new ATOM 0 HH11 ARG A 64 -4.973 -9.553 -11.758 1.00 3.47 H new ATOM 0 HH12 ARG A 64 -6.487 -10.224 -12.376 1.00 3.47 H new ATOM 0 HH21 ARG A 64 -5.747 -13.528 -11.397 1.00 3.98 H new ATOM 0 HH22 ARG A 64 -6.921 -12.459 -12.173 1.00 3.98 H new ATOM 1054 N ALA A 65 0.208 -9.512 -6.732 1.00 0.42 N ATOM 1055 CA ALA A 65 0.744 -10.196 -5.570 1.00 0.44 C ATOM 1056 C ALA A 65 0.902 -9.234 -4.396 1.00 0.42 C ATOM 1057 O ALA A 65 1.201 -8.053 -4.585 1.00 0.43 O ATOM 1058 CB ALA A 65 2.081 -10.830 -5.912 1.00 0.59 C ATOM 0 H ALA A 65 0.591 -8.579 -6.886 1.00 0.42 H new ATOM 0 HA ALA A 65 0.043 -10.977 -5.277 1.00 0.44 H new ATOM 0 HB1 ALA A 65 2.476 -11.341 -5.034 1.00 0.59 H new ATOM 0 HB2 ALA A 65 1.947 -11.548 -6.721 1.00 0.59 H new ATOM 0 HB3 ALA A 65 2.781 -10.056 -6.227 1.00 0.59 H new ATOM 1064 N PRO A 66 0.677 -9.735 -3.171 1.00 0.41 N ATOM 1065 CA PRO A 66 0.830 -8.953 -1.939 1.00 0.42 C ATOM 1066 C PRO A 66 2.291 -8.626 -1.628 1.00 0.43 C ATOM 1067 O PRO A 66 3.218 -9.247 -2.160 1.00 0.45 O ATOM 1068 CB PRO A 66 0.262 -9.875 -0.847 1.00 0.46 C ATOM 1069 CG PRO A 66 -0.472 -10.951 -1.573 1.00 0.62 C ATOM 1070 CD PRO A 66 0.222 -11.102 -2.890 1.00 0.46 C ATOM 0 HA PRO A 66 0.325 -7.990 -2.016 1.00 0.42 H new ATOM 0 HB2 PRO A 66 1.059 -10.291 -0.231 1.00 0.46 H new ATOM 0 HB3 PRO A 66 -0.404 -9.328 -0.179 1.00 0.46 H new ATOM 0 HG2 PRO A 66 -0.452 -11.885 -1.011 1.00 0.62 H new ATOM 0 HG3 PRO A 66 -1.520 -10.684 -1.712 1.00 0.62 H new ATOM 0 HD2 PRO A 66 1.055 -11.802 -2.831 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -0.452 -11.472 -3.663 1.00 0.46 H new ATOM 1078 N ALA A 67 2.475 -7.658 -0.729 1.00 0.54 N ATOM 1079 CA ALA A 67 3.800 -7.193 -0.309 1.00 0.63 C ATOM 1080 C ALA A 67 4.613 -8.301 0.354 1.00 0.52 C ATOM 1081 O ALA A 67 5.821 -8.162 0.556 1.00 0.57 O ATOM 1082 CB ALA A 67 3.646 -6.030 0.656 1.00 0.88 C ATOM 0 H ALA A 67 1.706 -7.171 -0.269 1.00 0.54 H new ATOM 0 HA ALA A 67 4.339 -6.876 -1.202 1.00 0.63 H new ATOM 0 HB1 ALA A 67 4.631 -5.684 0.969 1.00 0.88 H new ATOM 0 HB2 ALA A 67 3.115 -5.216 0.163 1.00 0.88 H new ATOM 0 HB3 ALA A 67 3.081 -6.355 1.530 1.00 0.88 H new ATOM 1088 N SER A 68 3.937 -9.382 0.711 1.00 0.49 N ATOM 1089 CA SER A 68 4.572 -10.513 1.365 1.00 0.52 C ATOM 1090 C SER A 68 5.104 -11.518 0.345 1.00 0.47 C ATOM 1091 O SER A 68 5.849 -12.432 0.690 1.00 0.58 O ATOM 1092 CB SER A 68 3.563 -11.182 2.297 1.00 0.64 C ATOM 1093 OG SER A 68 2.285 -11.256 1.681 1.00 1.73 O ATOM 0 H SER A 68 2.936 -9.499 0.556 1.00 0.49 H new ATOM 0 HA SER A 68 5.423 -10.153 1.942 1.00 0.52 H new ATOM 0 HB2 SER A 68 3.907 -12.184 2.555 1.00 0.64 H new ATOM 0 HB3 SER A 68 3.492 -10.620 3.228 1.00 0.64 H new ATOM 0 HG SER A 68 1.723 -10.521 2.005 1.00 1.73 H new ATOM 1099 N SER A 69 4.720 -11.345 -0.913 1.00 0.43 N ATOM 1100 CA SER A 69 5.139 -12.258 -1.965 1.00 0.52 C ATOM 1101 C SER A 69 6.305 -11.680 -2.763 1.00 0.56 C ATOM 1102 O SER A 69 7.328 -12.339 -2.953 1.00 0.88 O ATOM 1103 CB SER A 69 3.959 -12.556 -2.889 1.00 0.67 C ATOM 1104 OG SER A 69 2.836 -12.991 -2.139 1.00 1.30 O ATOM 0 H SER A 69 4.120 -10.582 -1.228 1.00 0.43 H new ATOM 0 HA SER A 69 5.478 -13.185 -1.503 1.00 0.52 H new ATOM 0 HB2 SER A 69 3.700 -11.662 -3.457 1.00 0.67 H new ATOM 0 HB3 SER A 69 4.240 -13.322 -3.611 1.00 0.67 H new ATOM 0 HG SER A 69 2.271 -13.564 -2.698 1.00 1.30 H new ATOM 1110 N GLU A 70 6.153 -10.442 -3.213 1.00 0.52 N ATOM 1111 CA GLU A 70 7.175 -9.800 -4.026 1.00 0.53 C ATOM 1112 C GLU A 70 8.427 -9.512 -3.205 1.00 0.47 C ATOM 1113 O GLU A 70 8.351 -8.975 -2.099 1.00 0.45 O ATOM 1114 CB GLU A 70 6.629 -8.520 -4.653 1.00 0.64 C ATOM 1115 CG GLU A 70 5.454 -8.767 -5.587 1.00 1.19 C ATOM 1116 CD GLU A 70 5.758 -9.818 -6.637 1.00 1.34 C ATOM 1117 OE1 GLU A 70 6.450 -9.503 -7.626 1.00 1.74 O ATOM 1118 OE2 GLU A 70 5.313 -10.972 -6.480 1.00 1.91 O ATOM 0 H GLU A 70 5.333 -9.864 -3.029 1.00 0.52 H new ATOM 0 HA GLU A 70 7.454 -10.484 -4.827 1.00 0.53 H new ATOM 0 HB2 GLU A 70 6.319 -7.838 -3.861 1.00 0.64 H new ATOM 0 HB3 GLU A 70 7.427 -8.024 -5.206 1.00 0.64 H new ATOM 0 HG2 GLU A 70 4.589 -9.081 -5.003 1.00 1.19 H new ATOM 0 HG3 GLU A 70 5.183 -7.833 -6.080 1.00 1.19 H new ATOM 1125 N THR A 71 9.574 -9.875 -3.759 1.00 0.52 N ATOM 1126 CA THR A 71 10.839 -9.788 -3.046 1.00 0.53 C ATOM 1127 C THR A 71 11.862 -8.992 -3.852 1.00 0.61 C ATOM 1128 O THR A 71 11.885 -9.073 -5.080 1.00 0.70 O ATOM 1129 CB THR A 71 11.404 -11.201 -2.784 1.00 0.54 C ATOM 1130 OG1 THR A 71 10.326 -12.113 -2.539 1.00 1.06 O ATOM 1131 CG2 THR A 71 12.341 -11.208 -1.590 1.00 0.91 C ATOM 0 H THR A 71 9.654 -10.236 -4.710 1.00 0.52 H new ATOM 0 HA THR A 71 10.653 -9.282 -2.099 1.00 0.53 H new ATOM 0 HB THR A 71 11.965 -11.508 -3.667 1.00 0.54 H new ATOM 0 HG1 THR A 71 10.687 -13.009 -2.375 1.00 1.06 H new ATOM 0 HG21 THR A 71 12.722 -12.217 -1.432 1.00 0.91 H new ATOM 0 HG22 THR A 71 13.174 -10.531 -1.778 1.00 0.91 H new ATOM 0 HG23 THR A 71 11.801 -10.881 -0.702 1.00 0.91 H new ATOM 1139 N PHE A 72 12.693 -8.222 -3.162 1.00 0.63 N ATOM 1140 CA PHE A 72 13.775 -7.489 -3.810 1.00 0.72 C ATOM 1141 C PHE A 72 15.088 -7.760 -3.082 1.00 0.70 C ATOM 1142 O PHE A 72 15.081 -8.274 -1.966 1.00 0.66 O ATOM 1143 CB PHE A 72 13.473 -5.984 -3.842 1.00 0.84 C ATOM 1144 CG PHE A 72 13.272 -5.355 -2.485 1.00 0.56 C ATOM 1145 CD1 PHE A 72 14.352 -4.864 -1.766 1.00 0.55 C ATOM 1146 CD2 PHE A 72 12.003 -5.249 -1.933 1.00 0.85 C ATOM 1147 CE1 PHE A 72 14.169 -4.285 -0.525 1.00 0.79 C ATOM 1148 CE2 PHE A 72 11.818 -4.671 -0.692 1.00 1.33 C ATOM 1149 CZ PHE A 72 12.901 -4.189 0.012 1.00 1.27 C ATOM 0 H PHE A 72 12.639 -8.088 -2.152 1.00 0.63 H new ATOM 0 HA PHE A 72 13.864 -7.832 -4.841 1.00 0.72 H new ATOM 0 HB2 PHE A 72 14.293 -5.473 -4.347 1.00 0.84 H new ATOM 0 HB3 PHE A 72 12.577 -5.819 -4.441 1.00 0.84 H new ATOM 0 HD1 PHE A 72 15.347 -4.935 -2.181 1.00 0.55 H new ATOM 0 HD2 PHE A 72 11.150 -5.623 -2.480 1.00 0.85 H new ATOM 0 HE1 PHE A 72 15.018 -3.907 0.025 1.00 0.79 H new ATOM 0 HE2 PHE A 72 10.825 -4.597 -0.273 1.00 1.33 H new ATOM 0 HZ PHE A 72 12.757 -3.737 0.982 1.00 1.27 H new ATOM 1159 N GLU A 73 16.209 -7.426 -3.706 1.00 0.81 N ATOM 1160 CA GLU A 73 17.508 -7.676 -3.101 1.00 0.85 C ATOM 1161 C GLU A 73 18.109 -6.390 -2.556 1.00 0.87 C ATOM 1162 O GLU A 73 18.366 -5.445 -3.303 1.00 0.95 O ATOM 1163 CB GLU A 73 18.469 -8.305 -4.106 1.00 1.02 C ATOM 1164 CG GLU A 73 19.836 -8.601 -3.515 1.00 1.12 C ATOM 1165 CD GLU A 73 20.815 -9.128 -4.536 1.00 1.45 C ATOM 1166 OE1 GLU A 73 20.808 -10.349 -4.800 1.00 2.00 O ATOM 1167 OE2 GLU A 73 21.590 -8.320 -5.088 1.00 1.58 O ATOM 0 H GLU A 73 16.245 -6.984 -4.625 1.00 0.81 H new ATOM 0 HA GLU A 73 17.356 -8.373 -2.277 1.00 0.85 H new ATOM 0 HB2 GLU A 73 18.035 -9.230 -4.485 1.00 1.02 H new ATOM 0 HB3 GLU A 73 18.585 -7.635 -4.958 1.00 1.02 H new ATOM 0 HG2 GLU A 73 20.238 -7.691 -3.069 1.00 1.12 H new ATOM 0 HG3 GLU A 73 19.729 -9.330 -2.712 1.00 1.12 H new ATOM 1174 N HIS A 74 18.336 -6.372 -1.252 1.00 0.85 N ATOM 1175 CA HIS A 74 18.930 -5.227 -0.588 1.00 0.94 C ATOM 1176 C HIS A 74 20.112 -5.698 0.261 1.00 1.04 C ATOM 1177 O HIS A 74 19.925 -6.419 1.245 1.00 1.03 O ATOM 1178 CB HIS A 74 17.881 -4.521 0.283 1.00 0.95 C ATOM 1179 CG HIS A 74 18.194 -3.085 0.596 1.00 1.21 C ATOM 1180 ND1 HIS A 74 17.276 -2.087 0.362 1.00 1.83 N ATOM 1181 CD2 HIS A 74 19.306 -2.539 1.141 1.00 1.63 C ATOM 1182 CE1 HIS A 74 17.847 -0.969 0.769 1.00 1.89 C ATOM 1183 NE2 HIS A 74 19.078 -1.190 1.250 1.00 1.71 N ATOM 0 H HIS A 74 18.114 -7.148 -0.628 1.00 0.85 H new ATOM 0 HA HIS A 74 19.288 -4.514 -1.331 1.00 0.94 H new ATOM 0 HB2 HIS A 74 16.917 -4.567 -0.223 1.00 0.95 H new ATOM 0 HB3 HIS A 74 17.776 -5.069 1.219 1.00 0.95 H new ATOM 0 HD2 HIS A 74 20.202 -3.065 1.434 1.00 1.63 H new ATOM 0 HE1 HIS A 74 17.380 0.004 0.720 1.00 1.89 H new ATOM 0 HE2 HIS A 74 19.720 -0.492 1.624 1.00 1.71 H new ATOM 1191 N ASP A 75 21.322 -5.308 -0.145 1.00 1.23 N ATOM 1192 CA ASP A 75 22.558 -5.698 0.548 1.00 1.40 C ATOM 1193 C ASP A 75 22.782 -7.205 0.479 1.00 1.35 C ATOM 1194 O ASP A 75 23.159 -7.830 1.471 1.00 1.42 O ATOM 1195 CB ASP A 75 22.554 -5.260 2.021 1.00 1.50 C ATOM 1196 CG ASP A 75 22.506 -3.760 2.205 1.00 1.87 C ATOM 1197 OD1 ASP A 75 23.340 -3.047 1.606 1.00 2.24 O ATOM 1198 OD2 ASP A 75 21.638 -3.288 2.965 1.00 2.37 O ATOM 0 H ASP A 75 21.476 -4.715 -0.960 1.00 1.23 H new ATOM 0 HA ASP A 75 23.371 -5.187 0.032 1.00 1.40 H new ATOM 0 HB2 ASP A 75 21.695 -5.707 2.522 1.00 1.50 H new ATOM 0 HB3 ASP A 75 23.447 -5.650 2.510 1.00 1.50 H new ATOM 1203 N GLY A 76 22.536 -7.786 -0.690 1.00 1.31 N ATOM 1204 CA GLY A 76 22.785 -9.206 -0.890 1.00 1.35 C ATOM 1205 C GLY A 76 21.655 -10.092 -0.390 1.00 1.18 C ATOM 1206 O GLY A 76 21.557 -11.257 -0.774 1.00 1.26 O ATOM 0 H GLY A 76 22.167 -7.299 -1.507 1.00 1.31 H new ATOM 0 HA2 GLY A 76 22.942 -9.394 -1.952 1.00 1.35 H new ATOM 0 HA3 GLY A 76 23.707 -9.482 -0.378 1.00 1.35 H new ATOM 1210 N LYS A 77 20.801 -9.546 0.461 1.00 1.01 N ATOM 1211 CA LYS A 77 19.688 -10.303 1.018 1.00 0.88 C ATOM 1212 C LYS A 77 18.389 -9.975 0.296 1.00 0.78 C ATOM 1213 O LYS A 77 18.064 -8.807 0.081 1.00 0.79 O ATOM 1214 CB LYS A 77 19.530 -10.013 2.515 1.00 0.93 C ATOM 1215 CG LYS A 77 20.628 -10.608 3.383 1.00 1.19 C ATOM 1216 CD LYS A 77 20.627 -12.128 3.325 1.00 1.33 C ATOM 1217 CE LYS A 77 21.643 -12.726 4.284 1.00 2.02 C ATOM 1218 NZ LYS A 77 21.295 -12.466 5.706 1.00 2.54 N ATOM 0 H LYS A 77 20.856 -8.580 0.782 1.00 1.01 H new ATOM 0 HA LYS A 77 19.909 -11.362 0.881 1.00 0.88 H new ATOM 0 HB2 LYS A 77 19.509 -8.934 2.665 1.00 0.93 H new ATOM 0 HB3 LYS A 77 18.568 -10.400 2.849 1.00 0.93 H new ATOM 0 HG2 LYS A 77 21.597 -10.232 3.054 1.00 1.19 H new ATOM 0 HG3 LYS A 77 20.493 -10.283 4.415 1.00 1.19 H new ATOM 0 HD2 LYS A 77 19.632 -12.501 3.569 1.00 1.33 H new ATOM 0 HD3 LYS A 77 20.849 -12.454 2.309 1.00 1.33 H new ATOM 0 HE2 LYS A 77 21.707 -13.801 4.118 1.00 2.02 H new ATOM 0 HE3 LYS A 77 22.628 -12.311 4.071 1.00 2.02 H new ATOM 0 HZ1 LYS A 77 21.867 -13.079 6.321 1.00 2.54 H new ATOM 0 HZ2 LYS A 77 21.488 -11.470 5.934 1.00 2.54 H new ATOM 0 HZ3 LYS A 77 20.286 -12.667 5.859 1.00 2.54 H new ATOM 1232 N LYS A 78 17.658 -11.007 -0.092 1.00 0.74 N ATOM 1233 CA LYS A 78 16.341 -10.815 -0.672 1.00 0.72 C ATOM 1234 C LYS A 78 15.307 -10.673 0.435 1.00 0.64 C ATOM 1235 O LYS A 78 15.176 -11.544 1.297 1.00 0.78 O ATOM 1236 CB LYS A 78 15.969 -11.969 -1.607 1.00 0.81 C ATOM 1237 CG LYS A 78 16.853 -12.051 -2.837 1.00 0.92 C ATOM 1238 CD LYS A 78 16.408 -13.161 -3.776 1.00 1.05 C ATOM 1239 CE LYS A 78 17.367 -13.322 -4.945 1.00 1.73 C ATOM 1240 NZ LYS A 78 18.716 -13.768 -4.503 1.00 2.52 N ATOM 0 H LYS A 78 17.953 -11.981 -0.016 1.00 0.74 H new ATOM 0 HA LYS A 78 16.359 -9.902 -1.267 1.00 0.72 H new ATOM 0 HB2 LYS A 78 16.034 -12.908 -1.058 1.00 0.81 H new ATOM 0 HB3 LYS A 78 14.931 -11.854 -1.920 1.00 0.81 H new ATOM 0 HG2 LYS A 78 16.832 -11.098 -3.365 1.00 0.92 H new ATOM 0 HG3 LYS A 78 17.885 -12.224 -2.533 1.00 0.92 H new ATOM 0 HD2 LYS A 78 16.343 -14.100 -3.226 1.00 1.05 H new ATOM 0 HD3 LYS A 78 15.409 -12.942 -4.152 1.00 1.05 H new ATOM 0 HE2 LYS A 78 16.959 -14.046 -5.651 1.00 1.73 H new ATOM 0 HE3 LYS A 78 17.455 -12.374 -5.475 1.00 1.73 H new ATOM 0 HZ1 LYS A 78 19.250 -14.123 -5.322 1.00 2.52 H new ATOM 0 HZ2 LYS A 78 19.225 -12.966 -4.079 1.00 2.52 H new ATOM 0 HZ3 LYS A 78 18.617 -14.527 -3.799 1.00 2.52 H new ATOM 1254 N VAL A 79 14.592 -9.566 0.404 1.00 0.53 N ATOM 1255 CA VAL A 79 13.601 -9.248 1.411 1.00 0.49 C ATOM 1256 C VAL A 79 12.341 -8.721 0.730 1.00 0.43 C ATOM 1257 O VAL A 79 12.418 -8.064 -0.309 1.00 0.45 O ATOM 1258 CB VAL A 79 14.159 -8.207 2.414 1.00 0.57 C ATOM 1259 CG1 VAL A 79 14.627 -6.949 1.696 1.00 1.31 C ATOM 1260 CG2 VAL A 79 13.136 -7.860 3.484 1.00 1.38 C ATOM 0 H VAL A 79 14.683 -8.858 -0.325 1.00 0.53 H new ATOM 0 HA VAL A 79 13.353 -10.150 1.970 1.00 0.49 H new ATOM 0 HB VAL A 79 15.019 -8.661 2.906 1.00 0.57 H new ATOM 0 HG11 VAL A 79 15.013 -6.237 2.425 1.00 1.31 H new ATOM 0 HG12 VAL A 79 15.414 -7.206 0.987 1.00 1.31 H new ATOM 0 HG13 VAL A 79 13.789 -6.502 1.161 1.00 1.31 H new ATOM 0 HG21 VAL A 79 13.561 -7.127 4.170 1.00 1.38 H new ATOM 0 HG22 VAL A 79 12.245 -7.443 3.014 1.00 1.38 H new ATOM 0 HG23 VAL A 79 12.867 -8.761 4.036 1.00 1.38 H new ATOM 1270 N THR A 80 11.187 -9.043 1.287 1.00 0.42 N ATOM 1271 CA THR A 80 9.923 -8.642 0.695 1.00 0.40 C ATOM 1272 C THR A 80 9.556 -7.217 1.094 1.00 0.39 C ATOM 1273 O THR A 80 10.122 -6.674 2.045 1.00 0.42 O ATOM 1274 CB THR A 80 8.788 -9.591 1.116 1.00 0.42 C ATOM 1275 OG1 THR A 80 8.709 -9.646 2.545 1.00 0.49 O ATOM 1276 CG2 THR A 80 9.013 -10.992 0.566 1.00 0.45 C ATOM 0 H THR A 80 11.099 -9.581 2.149 1.00 0.42 H new ATOM 0 HA THR A 80 10.047 -8.690 -0.387 1.00 0.40 H new ATOM 0 HB THR A 80 7.853 -9.206 0.708 1.00 0.42 H new ATOM 0 HG1 THR A 80 7.984 -10.250 2.810 1.00 0.49 H new ATOM 0 HG21 THR A 80 8.196 -11.641 0.879 1.00 0.45 H new ATOM 0 HG22 THR A 80 9.049 -10.954 -0.523 1.00 0.45 H new ATOM 0 HG23 THR A 80 9.955 -11.385 0.947 1.00 0.45 H new ATOM 1284 N ILE A 81 8.617 -6.615 0.374 1.00 0.40 N ATOM 1285 CA ILE A 81 8.155 -5.267 0.692 1.00 0.40 C ATOM 1286 C ILE A 81 7.661 -5.202 2.139 1.00 0.36 C ATOM 1287 O ILE A 81 8.038 -4.305 2.897 1.00 0.37 O ATOM 1288 CB ILE A 81 7.032 -4.795 -0.280 1.00 0.44 C ATOM 1289 CG1 ILE A 81 7.612 -4.326 -1.623 1.00 0.60 C ATOM 1290 CG2 ILE A 81 6.215 -3.666 0.335 1.00 0.48 C ATOM 1291 CD1 ILE A 81 8.407 -5.368 -2.378 1.00 0.81 C ATOM 0 H ILE A 81 8.160 -7.038 -0.434 1.00 0.40 H new ATOM 0 HA ILE A 81 9.003 -4.593 0.571 1.00 0.40 H new ATOM 0 HB ILE A 81 6.384 -5.653 -0.457 1.00 0.44 H new ATOM 0 HG12 ILE A 81 6.792 -3.988 -2.257 1.00 0.60 H new ATOM 0 HG13 ILE A 81 8.253 -3.463 -1.443 1.00 0.60 H new ATOM 0 HG21 ILE A 81 5.439 -3.356 -0.364 1.00 0.48 H new ATOM 0 HG22 ILE A 81 5.753 -4.013 1.259 1.00 0.48 H new ATOM 0 HG23 ILE A 81 6.868 -2.820 0.551 1.00 0.48 H new ATOM 0 HD11 ILE A 81 8.773 -4.940 -3.311 1.00 0.81 H new ATOM 0 HD12 ILE A 81 9.252 -5.691 -1.770 1.00 0.81 H new ATOM 0 HD13 ILE A 81 7.769 -6.224 -2.597 1.00 0.81 H new ATOM 1303 N ALA A 82 6.859 -6.187 2.523 1.00 0.36 N ATOM 1304 CA ALA A 82 6.289 -6.237 3.864 1.00 0.39 C ATOM 1305 C ALA A 82 7.381 -6.332 4.928 1.00 0.41 C ATOM 1306 O ALA A 82 7.314 -5.665 5.960 1.00 0.43 O ATOM 1307 CB ALA A 82 5.321 -7.406 3.983 1.00 0.44 C ATOM 0 H ALA A 82 6.588 -6.965 1.922 1.00 0.36 H new ATOM 0 HA ALA A 82 5.741 -5.310 4.033 1.00 0.39 H new ATOM 0 HB1 ALA A 82 4.903 -7.431 4.989 1.00 0.44 H new ATOM 0 HB2 ALA A 82 4.516 -7.287 3.258 1.00 0.44 H new ATOM 0 HB3 ALA A 82 5.851 -8.338 3.787 1.00 0.44 H new ATOM 1313 N SER A 83 8.398 -7.143 4.662 1.00 0.46 N ATOM 1314 CA SER A 83 9.491 -7.327 5.606 1.00 0.54 C ATOM 1315 C SER A 83 10.381 -6.085 5.661 1.00 0.53 C ATOM 1316 O SER A 83 11.017 -5.811 6.682 1.00 0.56 O ATOM 1317 CB SER A 83 10.309 -8.559 5.230 1.00 0.67 C ATOM 1318 OG SER A 83 9.478 -9.703 5.118 1.00 1.08 O ATOM 0 H SER A 83 8.488 -7.683 3.801 1.00 0.46 H new ATOM 0 HA SER A 83 9.066 -7.479 6.598 1.00 0.54 H new ATOM 0 HB2 SER A 83 10.824 -8.384 4.285 1.00 0.67 H new ATOM 0 HB3 SER A 83 11.077 -8.735 5.983 1.00 0.67 H new ATOM 0 HG SER A 83 9.126 -9.764 4.205 1.00 1.08 H new ATOM 1324 N TYR A 84 10.421 -5.338 4.564 1.00 0.51 N ATOM 1325 CA TYR A 84 11.153 -4.076 4.519 1.00 0.55 C ATOM 1326 C TYR A 84 10.544 -3.089 5.508 1.00 0.53 C ATOM 1327 O TYR A 84 11.256 -2.457 6.288 1.00 0.57 O ATOM 1328 CB TYR A 84 11.128 -3.498 3.098 1.00 0.58 C ATOM 1329 CG TYR A 84 11.807 -2.151 2.955 1.00 0.64 C ATOM 1330 CD1 TYR A 84 13.193 -2.047 2.933 1.00 0.74 C ATOM 1331 CD2 TYR A 84 11.060 -0.985 2.834 1.00 0.63 C ATOM 1332 CE1 TYR A 84 13.814 -0.818 2.795 1.00 0.81 C ATOM 1333 CE2 TYR A 84 11.673 0.245 2.693 1.00 0.71 C ATOM 1334 CZ TYR A 84 13.050 0.326 2.675 1.00 0.80 C ATOM 1335 OH TYR A 84 13.664 1.554 2.533 1.00 0.88 O ATOM 0 H TYR A 84 9.954 -5.584 3.691 1.00 0.51 H new ATOM 0 HA TYR A 84 12.191 -4.257 4.798 1.00 0.55 H new ATOM 0 HB2 TYR A 84 11.608 -4.206 2.423 1.00 0.58 H new ATOM 0 HB3 TYR A 84 10.091 -3.404 2.776 1.00 0.58 H new ATOM 0 HD1 TYR A 84 13.795 -2.939 3.025 1.00 0.74 H new ATOM 0 HD2 TYR A 84 9.982 -1.042 2.851 1.00 0.63 H new ATOM 0 HE1 TYR A 84 14.892 -0.754 2.781 1.00 0.81 H new ATOM 0 HE2 TYR A 84 11.076 1.140 2.597 1.00 0.71 H new ATOM 0 HH TYR A 84 12.982 2.254 2.460 1.00 0.88 H new ATOM 1345 N PHE A 85 9.222 -2.981 5.484 1.00 0.48 N ATOM 1346 CA PHE A 85 8.508 -2.133 6.427 1.00 0.48 C ATOM 1347 C PHE A 85 8.640 -2.686 7.842 1.00 0.51 C ATOM 1348 O PHE A 85 8.807 -1.932 8.796 1.00 0.59 O ATOM 1349 CB PHE A 85 7.034 -2.009 6.037 1.00 0.48 C ATOM 1350 CG PHE A 85 6.799 -1.106 4.857 1.00 0.51 C ATOM 1351 CD1 PHE A 85 6.859 -1.607 3.569 1.00 0.57 C ATOM 1352 CD2 PHE A 85 6.517 0.239 5.034 1.00 0.87 C ATOM 1353 CE1 PHE A 85 6.642 -0.787 2.479 1.00 0.65 C ATOM 1354 CE2 PHE A 85 6.298 1.063 3.947 1.00 0.94 C ATOM 1355 CZ PHE A 85 6.371 0.578 2.688 1.00 0.70 C ATOM 0 H PHE A 85 8.622 -3.471 4.820 1.00 0.48 H new ATOM 0 HA PHE A 85 8.953 -1.138 6.398 1.00 0.48 H new ATOM 0 HB2 PHE A 85 6.642 -3.000 5.809 1.00 0.48 H new ATOM 0 HB3 PHE A 85 6.471 -1.632 6.891 1.00 0.48 H new ATOM 0 HD1 PHE A 85 7.078 -2.653 3.414 1.00 0.57 H new ATOM 0 HD2 PHE A 85 6.468 0.648 6.033 1.00 0.87 H new ATOM 0 HE1 PHE A 85 6.680 -1.189 1.477 1.00 0.65 H new ATOM 0 HE2 PHE A 85 6.066 2.106 4.105 1.00 0.94 H new ATOM 0 HZ PHE A 85 6.222 1.236 1.845 1.00 0.70 H new ATOM 1365 N HIS A 86 8.585 -4.009 7.963 1.00 0.49 N ATOM 1366 CA HIS A 86 8.752 -4.675 9.252 1.00 0.54 C ATOM 1367 C HIS A 86 10.108 -4.327 9.874 1.00 0.57 C ATOM 1368 O HIS A 86 10.216 -4.128 11.084 1.00 0.62 O ATOM 1369 CB HIS A 86 8.609 -6.194 9.081 1.00 0.57 C ATOM 1370 CG HIS A 86 8.769 -6.970 10.353 1.00 0.63 C ATOM 1371 ND1 HIS A 86 9.539 -8.106 10.409 1.00 0.96 N ATOM 1372 CD2 HIS A 86 8.240 -6.735 11.577 1.00 0.74 C ATOM 1373 CE1 HIS A 86 9.463 -8.530 11.659 1.00 0.98 C ATOM 1374 NE2 HIS A 86 8.687 -7.732 12.402 1.00 0.79 N ATOM 0 H HIS A 86 8.425 -4.644 7.181 1.00 0.49 H new ATOM 0 HA HIS A 86 7.973 -4.323 9.928 1.00 0.54 H new ATOM 0 HB2 HIS A 86 7.629 -6.410 8.657 1.00 0.57 H new ATOM 0 HB3 HIS A 86 9.351 -6.539 8.361 1.00 0.57 H new ATOM 0 HD2 HIS A 86 7.590 -5.917 11.850 1.00 0.74 H new ATOM 0 HE1 HIS A 86 9.964 -9.410 12.034 1.00 0.98 H new ATOM 0 HE2 HIS A 86 8.470 -7.845 13.392 1.00 0.79 H new ATOM 1382 N SER A 87 11.130 -4.233 9.031 1.00 0.57 N ATOM 1383 CA SER A 87 12.471 -3.867 9.473 1.00 0.65 C ATOM 1384 C SER A 87 12.497 -2.436 10.016 1.00 0.67 C ATOM 1385 O SER A 87 13.363 -2.073 10.813 1.00 0.75 O ATOM 1386 CB SER A 87 13.467 -4.017 8.320 1.00 0.68 C ATOM 1387 OG SER A 87 13.475 -5.349 7.827 1.00 1.36 O ATOM 0 H SER A 87 11.054 -4.407 8.029 1.00 0.57 H new ATOM 0 HA SER A 87 12.761 -4.541 10.279 1.00 0.65 H new ATOM 0 HB2 SER A 87 13.205 -3.329 7.516 1.00 0.68 H new ATOM 0 HB3 SER A 87 14.466 -3.745 8.660 1.00 0.68 H new ATOM 0 HG SER A 87 12.679 -5.498 7.276 1.00 1.36 H new ATOM 1393 N ARG A 88 11.541 -1.625 9.579 1.00 0.61 N ATOM 1394 CA ARG A 88 11.421 -0.246 10.041 1.00 0.67 C ATOM 1395 C ARG A 88 10.500 -0.172 11.253 1.00 0.64 C ATOM 1396 O ARG A 88 9.818 0.830 11.470 1.00 0.70 O ATOM 1397 CB ARG A 88 10.916 0.661 8.915 1.00 0.74 C ATOM 1398 CG ARG A 88 11.710 0.526 7.620 1.00 0.92 C ATOM 1399 CD ARG A 88 13.214 0.617 7.853 1.00 0.97 C ATOM 1400 NE ARG A 88 13.631 1.921 8.376 1.00 1.13 N ATOM 1401 CZ ARG A 88 14.327 2.085 9.501 1.00 1.42 C ATOM 1402 NH1 ARG A 88 14.642 1.033 10.249 1.00 1.76 N ATOM 1403 NH2 ARG A 88 14.705 3.305 9.874 1.00 2.11 N ATOM 0 H ARG A 88 10.832 -1.901 8.900 1.00 0.61 H new ATOM 0 HA ARG A 88 12.409 0.107 10.338 1.00 0.67 H new ATOM 0 HB2 ARG A 88 9.870 0.430 8.716 1.00 0.74 H new ATOM 0 HB3 ARG A 88 10.956 1.698 9.249 1.00 0.74 H new ATOM 0 HG2 ARG A 88 11.474 -0.429 7.149 1.00 0.92 H new ATOM 0 HG3 ARG A 88 11.404 1.308 6.925 1.00 0.92 H new ATOM 0 HD2 ARG A 88 13.516 -0.163 8.552 1.00 0.97 H new ATOM 0 HD3 ARG A 88 13.734 0.424 6.915 1.00 0.97 H new ATOM 0 HE ARG A 88 13.373 2.754 7.847 1.00 1.13 H new ATOM 0 HH11 ARG A 88 14.351 0.098 9.963 1.00 1.76 H new ATOM 0 HH12 ARG A 88 15.175 1.160 11.110 1.00 1.76 H new ATOM 0 HH21 ARG A 88 14.462 4.112 9.300 1.00 2.11 H new ATOM 0 HH22 ARG A 88 15.238 3.433 10.734 1.00 2.11 H new ATOM 1417 N ASN A 89 10.475 -1.267 12.017 1.00 0.61 N ATOM 1418 CA ASN A 89 9.658 -1.371 13.225 1.00 0.63 C ATOM 1419 C ASN A 89 8.193 -1.194 12.888 1.00 0.66 C ATOM 1420 O ASN A 89 7.433 -0.581 13.641 1.00 0.83 O ATOM 1421 CB ASN A 89 10.082 -0.349 14.288 1.00 0.70 C ATOM 1422 CG ASN A 89 11.351 -0.742 15.016 1.00 1.30 C ATOM 1423 OD1 ASN A 89 12.252 -1.365 14.447 1.00 2.07 O ATOM 1424 ND2 ASN A 89 11.430 -0.381 16.287 1.00 1.91 N ATOM 0 H ASN A 89 11.021 -2.105 11.814 1.00 0.61 H new ATOM 0 HA ASN A 89 9.813 -2.367 13.640 1.00 0.63 H new ATOM 0 HB2 ASN A 89 10.228 0.621 13.813 1.00 0.70 H new ATOM 0 HB3 ASN A 89 9.276 -0.231 15.012 1.00 0.70 H new ATOM 0 HD21 ASN A 89 12.258 -0.617 16.834 1.00 1.91 H new ATOM 0 HD22 ASN A 89 10.663 0.133 16.720 1.00 1.91 H new ATOM 1431 N TYR A 90 7.799 -1.732 11.751 1.00 0.56 N ATOM 1432 CA TYR A 90 6.443 -1.574 11.284 1.00 0.64 C ATOM 1433 C TYR A 90 5.904 -2.881 10.727 1.00 0.59 C ATOM 1434 O TYR A 90 5.817 -3.055 9.512 1.00 0.57 O ATOM 1435 CB TYR A 90 6.389 -0.493 10.213 1.00 0.76 C ATOM 1436 CG TYR A 90 5.246 0.466 10.395 1.00 1.02 C ATOM 1437 CD1 TYR A 90 3.988 0.191 9.875 1.00 1.04 C ATOM 1438 CD2 TYR A 90 5.432 1.649 11.092 1.00 1.67 C ATOM 1439 CE1 TYR A 90 2.940 1.074 10.047 1.00 1.39 C ATOM 1440 CE2 TYR A 90 4.388 2.541 11.269 1.00 2.09 C ATOM 1441 CZ TYR A 90 3.145 2.248 10.743 1.00 1.94 C ATOM 1442 OH TYR A 90 2.103 3.130 10.914 1.00 2.32 O ATOM 0 H TYR A 90 8.400 -2.281 11.137 1.00 0.56 H new ATOM 0 HA TYR A 90 5.821 -1.280 12.129 1.00 0.64 H new ATOM 0 HB2 TYR A 90 7.326 0.064 10.220 1.00 0.76 H new ATOM 0 HB3 TYR A 90 6.306 -0.965 9.234 1.00 0.76 H new ATOM 0 HD1 TYR A 90 3.827 -0.726 9.328 1.00 1.04 H new ATOM 0 HD2 TYR A 90 6.404 1.878 11.503 1.00 1.67 H new ATOM 0 HE1 TYR A 90 1.966 0.847 9.639 1.00 1.39 H new ATOM 0 HE2 TYR A 90 4.545 3.460 11.815 1.00 2.09 H new ATOM 0 HH TYR A 90 2.412 3.906 11.427 1.00 2.32 H new ATOM 1452 N PRO A 91 5.551 -3.827 11.605 1.00 0.61 N ATOM 1453 CA PRO A 91 4.927 -5.068 11.176 1.00 0.62 C ATOM 1454 C PRO A 91 3.536 -4.803 10.622 1.00 0.65 C ATOM 1455 O PRO A 91 2.629 -4.410 11.361 1.00 0.86 O ATOM 1456 CB PRO A 91 4.852 -5.905 12.457 1.00 0.68 C ATOM 1457 CG PRO A 91 4.909 -4.917 13.572 1.00 0.72 C ATOM 1458 CD PRO A 91 5.722 -3.759 13.067 1.00 0.69 C ATOM 0 HA PRO A 91 5.481 -5.567 10.381 1.00 0.62 H new ATOM 0 HB2 PRO A 91 3.932 -6.488 12.494 1.00 0.68 H new ATOM 0 HB3 PRO A 91 5.679 -6.612 12.515 1.00 0.68 H new ATOM 0 HG2 PRO A 91 3.908 -4.594 13.857 1.00 0.72 H new ATOM 0 HG3 PRO A 91 5.367 -5.357 14.458 1.00 0.72 H new ATOM 0 HD2 PRO A 91 5.363 -2.812 13.469 1.00 0.69 H new ATOM 0 HD3 PRO A 91 6.770 -3.850 13.353 1.00 0.69 H new ATOM 1466 N LEU A 92 3.380 -4.995 9.321 1.00 0.53 N ATOM 1467 CA LEU A 92 2.093 -4.796 8.677 1.00 0.55 C ATOM 1468 C LEU A 92 1.073 -5.752 9.269 1.00 0.56 C ATOM 1469 O LEU A 92 1.355 -6.937 9.468 1.00 0.59 O ATOM 1470 CB LEU A 92 2.210 -5.004 7.164 1.00 0.59 C ATOM 1471 CG LEU A 92 3.156 -4.036 6.447 1.00 0.57 C ATOM 1472 CD1 LEU A 92 3.174 -4.315 4.954 1.00 0.65 C ATOM 1473 CD2 LEU A 92 2.750 -2.594 6.711 1.00 0.62 C ATOM 0 H LEU A 92 4.128 -5.288 8.692 1.00 0.53 H new ATOM 0 HA LEU A 92 1.763 -3.772 8.852 1.00 0.55 H new ATOM 0 HB2 LEU A 92 2.549 -6.023 6.978 1.00 0.59 H new ATOM 0 HB3 LEU A 92 1.218 -4.912 6.722 1.00 0.59 H new ATOM 0 HG LEU A 92 4.161 -4.188 6.840 1.00 0.57 H new ATOM 0 HD11 LEU A 92 3.852 -3.617 4.462 1.00 0.65 H new ATOM 0 HD12 LEU A 92 3.514 -5.336 4.779 1.00 0.65 H new ATOM 0 HD13 LEU A 92 2.170 -4.192 4.549 1.00 0.65 H new ATOM 0 HD21 LEU A 92 3.435 -1.923 6.193 1.00 0.62 H new ATOM 0 HD22 LEU A 92 1.736 -2.429 6.348 1.00 0.62 H new ATOM 0 HD23 LEU A 92 2.788 -2.395 7.782 1.00 0.62 H new ATOM 1485 N LYS A 93 -0.103 -5.232 9.571 1.00 0.63 N ATOM 1486 CA LYS A 93 -1.130 -6.016 10.229 1.00 0.68 C ATOM 1487 C LYS A 93 -1.862 -6.871 9.211 1.00 0.61 C ATOM 1488 O LYS A 93 -2.446 -7.902 9.551 1.00 0.68 O ATOM 1489 CB LYS A 93 -2.106 -5.097 10.966 1.00 0.83 C ATOM 1490 CG LYS A 93 -1.411 -4.122 11.905 1.00 0.91 C ATOM 1491 CD LYS A 93 -2.406 -3.336 12.741 1.00 1.28 C ATOM 1492 CE LYS A 93 -3.097 -4.220 13.771 1.00 1.57 C ATOM 1493 NZ LYS A 93 -2.117 -4.892 14.669 1.00 2.22 N ATOM 0 H LYS A 93 -0.370 -4.268 9.370 1.00 0.63 H new ATOM 0 HA LYS A 93 -0.661 -6.674 10.961 1.00 0.68 H new ATOM 0 HB2 LYS A 93 -2.690 -4.536 10.236 1.00 0.83 H new ATOM 0 HB3 LYS A 93 -2.808 -5.705 11.537 1.00 0.83 H new ATOM 0 HG2 LYS A 93 -0.736 -4.670 12.563 1.00 0.91 H new ATOM 0 HG3 LYS A 93 -0.799 -3.432 11.324 1.00 0.91 H new ATOM 0 HD2 LYS A 93 -1.891 -2.520 13.248 1.00 1.28 H new ATOM 0 HD3 LYS A 93 -3.153 -2.885 12.089 1.00 1.28 H new ATOM 0 HE2 LYS A 93 -3.782 -3.617 14.367 1.00 1.57 H new ATOM 0 HE3 LYS A 93 -3.697 -4.973 13.260 1.00 1.57 H new ATOM 0 HZ1 LYS A 93 -2.604 -5.229 15.524 1.00 2.22 H new ATOM 0 HZ2 LYS A 93 -1.689 -5.700 14.173 1.00 2.22 H new ATOM 0 HZ3 LYS A 93 -1.373 -4.217 14.938 1.00 2.22 H new ATOM 1507 N PHE A 94 -1.809 -6.444 7.959 1.00 0.52 N ATOM 1508 CA PHE A 94 -2.446 -7.171 6.872 1.00 0.50 C ATOM 1509 C PHE A 94 -1.451 -7.380 5.728 1.00 0.44 C ATOM 1510 O PHE A 94 -1.617 -6.831 4.643 1.00 0.42 O ATOM 1511 CB PHE A 94 -3.675 -6.401 6.372 1.00 0.51 C ATOM 1512 CG PHE A 94 -4.527 -5.844 7.481 1.00 0.59 C ATOM 1513 CD1 PHE A 94 -5.231 -6.687 8.328 1.00 0.68 C ATOM 1514 CD2 PHE A 94 -4.610 -4.475 7.683 1.00 0.66 C ATOM 1515 CE1 PHE A 94 -6.002 -6.174 9.353 1.00 0.78 C ATOM 1516 CE2 PHE A 94 -5.380 -3.957 8.708 1.00 0.78 C ATOM 1517 CZ PHE A 94 -6.076 -4.807 9.543 1.00 0.81 C ATOM 0 H PHE A 94 -1.328 -5.592 7.669 1.00 0.52 H new ATOM 0 HA PHE A 94 -2.769 -8.145 7.239 1.00 0.50 H new ATOM 0 HB2 PHE A 94 -3.345 -5.583 5.732 1.00 0.51 H new ATOM 0 HB3 PHE A 94 -4.283 -7.063 5.755 1.00 0.51 H new ATOM 0 HD1 PHE A 94 -5.176 -7.756 8.185 1.00 0.68 H new ATOM 0 HD2 PHE A 94 -4.067 -3.805 7.032 1.00 0.66 H new ATOM 0 HE1 PHE A 94 -6.547 -6.841 10.005 1.00 0.78 H new ATOM 0 HE2 PHE A 94 -5.437 -2.889 8.855 1.00 0.78 H new ATOM 0 HZ PHE A 94 -6.678 -4.404 10.344 1.00 0.81 H new ATOM 1527 N PRO A 95 -0.399 -8.191 5.950 1.00 0.48 N ATOM 1528 CA PRO A 95 0.674 -8.399 4.964 1.00 0.51 C ATOM 1529 C PRO A 95 0.194 -9.087 3.685 1.00 0.47 C ATOM 1530 O PRO A 95 0.927 -9.169 2.700 1.00 0.51 O ATOM 1531 CB PRO A 95 1.680 -9.301 5.695 1.00 0.64 C ATOM 1532 CG PRO A 95 1.312 -9.224 7.137 1.00 0.65 C ATOM 1533 CD PRO A 95 -0.165 -8.962 7.178 1.00 0.59 C ATOM 0 HA PRO A 95 1.087 -7.446 4.635 1.00 0.51 H new ATOM 0 HB2 PRO A 95 1.624 -10.327 5.330 1.00 0.64 H new ATOM 0 HB3 PRO A 95 2.703 -8.960 5.533 1.00 0.64 H new ATOM 0 HG2 PRO A 95 1.557 -10.153 7.652 1.00 0.65 H new ATOM 0 HG3 PRO A 95 1.863 -8.428 7.637 1.00 0.65 H new ATOM 0 HD2 PRO A 95 -0.739 -9.889 7.188 1.00 0.59 H new ATOM 0 HD3 PRO A 95 -0.451 -8.400 8.068 1.00 0.59 H new ATOM 1541 N GLN A 96 -1.038 -9.573 3.705 1.00 0.45 N ATOM 1542 CA GLN A 96 -1.594 -10.296 2.568 1.00 0.44 C ATOM 1543 C GLN A 96 -2.436 -9.378 1.687 1.00 0.39 C ATOM 1544 O GLN A 96 -3.254 -9.843 0.892 1.00 0.43 O ATOM 1545 CB GLN A 96 -2.435 -11.475 3.045 1.00 0.53 C ATOM 1546 CG GLN A 96 -1.630 -12.520 3.796 1.00 1.06 C ATOM 1547 CD GLN A 96 -2.465 -13.711 4.206 1.00 1.54 C ATOM 1548 OE1 GLN A 96 -2.587 -14.679 3.460 1.00 2.05 O ATOM 1549 NE2 GLN A 96 -3.048 -13.652 5.390 1.00 2.31 N ATOM 0 H GLN A 96 -1.674 -9.480 4.497 1.00 0.45 H new ATOM 0 HA GLN A 96 -0.761 -10.670 1.973 1.00 0.44 H new ATOM 0 HB2 GLN A 96 -3.232 -11.107 3.691 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -2.913 -11.943 2.185 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -0.805 -12.858 3.169 1.00 1.06 H new ATOM 0 HG3 GLN A 96 -1.190 -12.066 4.684 1.00 1.06 H new ATOM 0 HE21 GLN A 96 -2.922 -12.830 5.980 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -3.624 -14.429 5.714 1.00 2.31 H new ATOM 1558 N LEU A 97 -2.250 -8.076 1.847 1.00 0.44 N ATOM 1559 CA LEU A 97 -2.948 -7.104 1.021 1.00 0.54 C ATOM 1560 C LEU A 97 -2.241 -6.942 -0.321 1.00 0.63 C ATOM 1561 O LEU A 97 -1.011 -6.999 -0.399 1.00 1.25 O ATOM 1562 CB LEU A 97 -3.071 -5.755 1.757 1.00 0.69 C ATOM 1563 CG LEU A 97 -1.761 -5.075 2.183 1.00 0.86 C ATOM 1564 CD1 LEU A 97 -1.101 -4.371 1.011 1.00 1.56 C ATOM 1565 CD2 LEU A 97 -2.023 -4.087 3.305 1.00 1.35 C ATOM 0 H LEU A 97 -1.622 -7.669 2.541 1.00 0.44 H new ATOM 0 HA LEU A 97 -3.957 -7.469 0.827 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -3.618 -5.066 1.113 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -3.679 -5.909 2.648 1.00 0.69 H new ATOM 0 HG LEU A 97 -1.081 -5.849 2.540 1.00 0.86 H new ATOM 0 HD11 LEU A 97 -0.176 -3.899 1.344 1.00 1.56 H new ATOM 0 HD12 LEU A 97 -0.877 -5.097 0.230 1.00 1.56 H new ATOM 0 HD13 LEU A 97 -1.775 -3.610 0.617 1.00 1.56 H new ATOM 0 HD21 LEU A 97 -1.087 -3.612 3.598 1.00 1.35 H new ATOM 0 HD22 LEU A 97 -2.725 -3.326 2.963 1.00 1.35 H new ATOM 0 HD23 LEU A 97 -2.446 -4.612 4.161 1.00 1.35 H new ATOM 1577 N HIS A 98 -3.024 -6.768 -1.375 1.00 0.38 N ATOM 1578 CA HIS A 98 -2.470 -6.512 -2.696 1.00 0.38 C ATOM 1579 C HIS A 98 -2.107 -5.044 -2.822 1.00 0.43 C ATOM 1580 O HIS A 98 -2.974 -4.162 -2.745 1.00 0.49 O ATOM 1581 CB HIS A 98 -3.456 -6.920 -3.795 1.00 0.38 C ATOM 1582 CG HIS A 98 -3.634 -8.404 -3.926 1.00 0.37 C ATOM 1583 ND1 HIS A 98 -3.563 -9.232 -2.837 1.00 0.49 N ATOM 1584 CD2 HIS A 98 -3.865 -9.150 -5.032 1.00 0.46 C ATOM 1585 CE1 HIS A 98 -3.751 -10.453 -3.294 1.00 0.47 C ATOM 1586 NE2 HIS A 98 -3.944 -10.460 -4.622 1.00 0.46 N ATOM 0 H HIS A 98 -4.043 -6.799 -1.342 1.00 0.38 H new ATOM 0 HA HIS A 98 -1.570 -7.114 -2.819 1.00 0.38 H new ATOM 0 HB2 HIS A 98 -4.424 -6.464 -3.590 1.00 0.38 H new ATOM 0 HB3 HIS A 98 -3.110 -6.519 -4.748 1.00 0.38 H new ATOM 0 HD2 HIS A 98 -3.968 -8.786 -6.043 1.00 0.46 H new ATOM 0 HE1 HIS A 98 -3.750 -11.339 -2.676 1.00 0.47 H new ATOM 0 HE2 HIS A 98 -4.115 -11.275 -5.210 1.00 0.46 H new ATOM 1594 N CYS A 99 -0.819 -4.796 -2.990 1.00 0.50 N ATOM 1595 CA CYS A 99 -0.282 -3.448 -3.048 1.00 0.56 C ATOM 1596 C CYS A 99 -0.805 -2.673 -4.250 1.00 0.41 C ATOM 1597 O CYS A 99 -1.155 -3.249 -5.285 1.00 0.38 O ATOM 1598 CB CYS A 99 1.242 -3.508 -3.093 1.00 0.76 C ATOM 1599 SG CYS A 99 1.991 -4.231 -1.620 1.00 1.19 S ATOM 0 H CYS A 99 -0.114 -5.527 -3.090 1.00 0.50 H new ATOM 0 HA CYS A 99 -0.610 -2.921 -2.152 1.00 0.56 H new ATOM 0 HB2 CYS A 99 1.547 -4.087 -3.965 1.00 0.76 H new ATOM 0 HB3 CYS A 99 1.631 -2.499 -3.228 1.00 0.76 H new ATOM 0 HG CYS A 99 3.284 -4.241 -1.751 1.00 1.19 H new ATOM 1605 N LEU A 100 -0.844 -1.356 -4.101 1.00 0.43 N ATOM 1606 CA LEU A 100 -1.297 -0.474 -5.157 1.00 0.39 C ATOM 1607 C LEU A 100 -0.149 -0.213 -6.101 1.00 0.28 C ATOM 1608 O LEU A 100 0.950 0.111 -5.660 1.00 0.27 O ATOM 1609 CB LEU A 100 -1.785 0.873 -4.600 1.00 0.58 C ATOM 1610 CG LEU A 100 -2.857 0.819 -3.509 1.00 0.66 C ATOM 1611 CD1 LEU A 100 -2.220 0.631 -2.153 1.00 1.53 C ATOM 1612 CD2 LEU A 100 -3.686 2.087 -3.513 1.00 0.93 C ATOM 0 H LEU A 100 -0.563 -0.875 -3.247 1.00 0.43 H new ATOM 0 HA LEU A 100 -2.128 -0.958 -5.669 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -0.923 1.409 -4.203 1.00 0.58 H new ATOM 0 HB3 LEU A 100 -2.174 1.463 -5.430 1.00 0.58 H new ATOM 0 HG LEU A 100 -3.509 -0.029 -3.716 1.00 0.66 H new ATOM 0 HD11 LEU A 100 -2.996 0.595 -1.388 1.00 1.53 H new ATOM 0 HD12 LEU A 100 -1.656 -0.302 -2.142 1.00 1.53 H new ATOM 0 HD13 LEU A 100 -1.548 1.464 -1.948 1.00 1.53 H new ATOM 0 HD21 LEU A 100 -4.443 2.030 -2.730 1.00 0.93 H new ATOM 0 HD22 LEU A 100 -3.039 2.945 -3.330 1.00 0.93 H new ATOM 0 HD23 LEU A 100 -4.173 2.200 -4.481 1.00 0.93 H new ATOM 1624 N ASN A 101 -0.386 -0.361 -7.385 1.00 0.29 N ATOM 1625 CA ASN A 101 0.623 -0.009 -8.364 1.00 0.29 C ATOM 1626 C ASN A 101 0.562 1.482 -8.593 1.00 0.29 C ATOM 1627 O ASN A 101 -0.361 2.001 -9.229 1.00 0.37 O ATOM 1628 CB ASN A 101 0.424 -0.774 -9.677 1.00 0.34 C ATOM 1629 CG ASN A 101 1.481 -0.441 -10.720 1.00 0.46 C ATOM 1630 OD1 ASN A 101 1.320 0.488 -11.511 1.00 1.34 O ATOM 1631 ND2 ASN A 101 2.565 -1.207 -10.737 1.00 0.83 N ATOM 0 H ASN A 101 -1.258 -0.719 -7.775 1.00 0.29 H new ATOM 0 HA ASN A 101 1.607 -0.288 -7.986 1.00 0.29 H new ATOM 0 HB2 ASN A 101 0.444 -1.845 -9.475 1.00 0.34 H new ATOM 0 HB3 ASN A 101 -0.562 -0.544 -10.080 1.00 0.34 H new ATOM 0 HD21 ASN A 101 3.301 -1.035 -11.422 1.00 0.83 H new ATOM 0 HD22 ASN A 101 2.662 -1.968 -10.065 1.00 0.83 H new ATOM 1638 N VAL A 102 1.527 2.160 -8.016 1.00 0.28 N ATOM 1639 CA VAL A 102 1.576 3.599 -8.021 1.00 0.30 C ATOM 1640 C VAL A 102 2.903 4.072 -8.593 1.00 0.31 C ATOM 1641 O VAL A 102 3.657 3.292 -9.183 1.00 0.35 O ATOM 1642 CB VAL A 102 1.403 4.155 -6.588 1.00 0.32 C ATOM 1643 CG1 VAL A 102 0.078 3.710 -5.996 1.00 0.86 C ATOM 1644 CG2 VAL A 102 2.553 3.717 -5.696 1.00 0.91 C ATOM 0 H VAL A 102 2.307 1.721 -7.526 1.00 0.28 H new ATOM 0 HA VAL A 102 0.760 3.968 -8.642 1.00 0.30 H new ATOM 0 HB VAL A 102 1.408 5.243 -6.646 1.00 0.32 H new ATOM 0 HG11 VAL A 102 -0.023 4.112 -4.988 1.00 0.86 H new ATOM 0 HG12 VAL A 102 -0.739 4.077 -6.617 1.00 0.86 H new ATOM 0 HG13 VAL A 102 0.044 2.621 -5.958 1.00 0.86 H new ATOM 0 HG21 VAL A 102 2.410 4.120 -4.693 1.00 0.91 H new ATOM 0 HG22 VAL A 102 2.583 2.628 -5.649 1.00 0.91 H new ATOM 0 HG23 VAL A 102 3.493 4.088 -6.105 1.00 0.91 H new ATOM 1654 N GLY A 103 3.184 5.339 -8.393 1.00 0.35 N ATOM 1655 CA GLY A 103 4.419 5.918 -8.867 1.00 0.41 C ATOM 1656 C GLY A 103 4.320 6.415 -10.294 1.00 0.48 C ATOM 1657 O GLY A 103 3.443 7.215 -10.624 1.00 0.65 O ATOM 0 H GLY A 103 2.571 5.990 -7.903 1.00 0.35 H new ATOM 0 HA2 GLY A 103 4.701 6.746 -8.217 1.00 0.41 H new ATOM 0 HA3 GLY A 103 5.214 5.175 -8.799 1.00 0.41 H new ATOM 1661 N SER A 104 5.220 5.940 -11.136 1.00 0.78 N ATOM 1662 CA SER A 104 5.279 6.364 -12.522 1.00 0.88 C ATOM 1663 C SER A 104 5.893 5.251 -13.371 1.00 1.00 C ATOM 1664 O SER A 104 6.200 4.175 -12.853 1.00 1.10 O ATOM 1665 CB SER A 104 6.096 7.661 -12.641 1.00 0.91 C ATOM 1666 OG SER A 104 5.998 8.225 -13.940 1.00 1.52 O ATOM 0 H SER A 104 5.928 5.252 -10.879 1.00 0.78 H new ATOM 0 HA SER A 104 4.271 6.564 -12.886 1.00 0.88 H new ATOM 0 HB2 SER A 104 5.744 8.382 -11.903 1.00 0.91 H new ATOM 0 HB3 SER A 104 7.141 7.455 -12.411 1.00 0.91 H new ATOM 0 HG SER A 104 6.528 9.049 -13.980 1.00 1.52 H new ATOM 1672 N SER A 105 6.059 5.502 -14.665 1.00 1.06 N ATOM 1673 CA SER A 105 6.659 4.528 -15.569 1.00 1.19 C ATOM 1674 C SER A 105 8.024 4.065 -15.055 1.00 1.14 C ATOM 1675 O SER A 105 8.295 2.868 -14.977 1.00 1.20 O ATOM 1676 CB SER A 105 6.811 5.140 -16.959 1.00 1.36 C ATOM 1677 OG SER A 105 5.601 5.742 -17.385 1.00 1.77 O ATOM 0 H SER A 105 5.785 6.376 -15.113 1.00 1.06 H new ATOM 0 HA SER A 105 6.002 3.660 -15.620 1.00 1.19 H new ATOM 0 HB2 SER A 105 7.607 5.885 -16.947 1.00 1.36 H new ATOM 0 HB3 SER A 105 7.107 4.368 -17.669 1.00 1.36 H new ATOM 0 HG SER A 105 5.724 6.128 -18.277 1.00 1.77 H new ATOM 1683 N ILE A 106 8.872 5.023 -14.691 1.00 1.10 N ATOM 1684 CA ILE A 106 10.209 4.710 -14.198 1.00 1.09 C ATOM 1685 C ILE A 106 10.163 4.129 -12.786 1.00 0.89 C ATOM 1686 O ILE A 106 10.784 3.104 -12.511 1.00 0.95 O ATOM 1687 CB ILE A 106 11.133 5.949 -14.222 1.00 1.18 C ATOM 1688 CG1 ILE A 106 10.436 7.159 -13.590 1.00 1.25 C ATOM 1689 CG2 ILE A 106 11.559 6.258 -15.650 1.00 1.67 C ATOM 1690 CD1 ILE A 106 11.303 8.397 -13.522 1.00 1.60 C ATOM 0 H ILE A 106 8.658 6.020 -14.728 1.00 1.10 H new ATOM 0 HA ILE A 106 10.621 3.959 -14.872 1.00 1.09 H new ATOM 0 HB ILE A 106 12.024 5.729 -13.634 1.00 1.18 H new ATOM 0 HG12 ILE A 106 9.537 7.388 -14.162 1.00 1.25 H new ATOM 0 HG13 ILE A 106 10.115 6.896 -12.582 1.00 1.25 H new ATOM 0 HG21 ILE A 106 12.209 7.133 -15.654 1.00 1.67 H new ATOM 0 HG22 ILE A 106 12.096 5.404 -16.062 1.00 1.67 H new ATOM 0 HG23 ILE A 106 10.677 6.459 -16.257 1.00 1.67 H new ATOM 0 HD11 ILE A 106 10.741 9.210 -13.063 1.00 1.60 H new ATOM 0 HD12 ILE A 106 12.191 8.187 -12.925 1.00 1.60 H new ATOM 0 HD13 ILE A 106 11.603 8.687 -14.529 1.00 1.60 H new ATOM 1702 N LYS A 107 9.420 4.775 -11.898 1.00 0.77 N ATOM 1703 CA LYS A 107 9.262 4.290 -10.543 1.00 0.65 C ATOM 1704 C LYS A 107 7.955 3.521 -10.408 1.00 0.58 C ATOM 1705 O LYS A 107 6.933 4.078 -10.009 1.00 0.59 O ATOM 1706 CB LYS A 107 9.290 5.469 -9.571 1.00 0.80 C ATOM 1707 CG LYS A 107 9.224 5.068 -8.108 1.00 0.52 C ATOM 1708 CD LYS A 107 10.198 5.878 -7.289 1.00 1.41 C ATOM 1709 CE LYS A 107 11.509 5.142 -7.183 1.00 1.58 C ATOM 1710 NZ LYS A 107 12.555 5.918 -6.461 1.00 2.62 N ATOM 0 H LYS A 107 8.917 5.640 -12.097 1.00 0.77 H new ATOM 0 HA LYS A 107 10.084 3.614 -10.306 1.00 0.65 H new ATOM 0 HB2 LYS A 107 10.202 6.043 -9.739 1.00 0.80 H new ATOM 0 HB3 LYS A 107 8.452 6.130 -9.794 1.00 0.80 H new ATOM 0 HG2 LYS A 107 8.212 5.216 -7.730 1.00 0.52 H new ATOM 0 HG3 LYS A 107 9.450 4.007 -8.006 1.00 0.52 H new ATOM 0 HD2 LYS A 107 10.354 6.853 -7.751 1.00 1.41 H new ATOM 0 HD3 LYS A 107 9.790 6.058 -6.295 1.00 1.41 H new ATOM 0 HE2 LYS A 107 11.347 4.195 -6.668 1.00 1.58 H new ATOM 0 HE3 LYS A 107 11.868 4.904 -8.184 1.00 1.58 H new ATOM 0 HZ1 LYS A 107 13.086 5.283 -5.832 1.00 2.62 H new ATOM 0 HZ2 LYS A 107 13.206 6.348 -7.149 1.00 2.62 H new ATOM 0 HZ3 LYS A 107 12.104 6.666 -5.897 1.00 2.62 H new ATOM 1724 N SER A 108 7.991 2.243 -10.747 1.00 0.56 N ATOM 1725 CA SER A 108 6.819 1.395 -10.620 1.00 0.54 C ATOM 1726 C SER A 108 6.801 0.776 -9.235 1.00 0.48 C ATOM 1727 O SER A 108 7.461 -0.232 -8.980 1.00 0.55 O ATOM 1728 CB SER A 108 6.824 0.314 -11.700 1.00 0.63 C ATOM 1729 OG SER A 108 6.845 0.897 -12.996 1.00 1.12 O ATOM 0 H SER A 108 8.818 1.771 -11.112 1.00 0.56 H new ATOM 0 HA SER A 108 5.918 1.994 -10.754 1.00 0.54 H new ATOM 0 HB2 SER A 108 7.694 -0.331 -11.572 1.00 0.63 H new ATOM 0 HB3 SER A 108 5.941 -0.317 -11.594 1.00 0.63 H new ATOM 0 HG SER A 108 6.652 1.855 -12.927 1.00 1.12 H new ATOM 1735 N ILE A 109 6.045 1.382 -8.340 1.00 0.39 N ATOM 1736 CA ILE A 109 6.093 1.005 -6.944 1.00 0.36 C ATOM 1737 C ILE A 109 4.769 0.445 -6.465 1.00 0.32 C ATOM 1738 O ILE A 109 3.700 0.955 -6.793 1.00 0.38 O ATOM 1739 CB ILE A 109 6.517 2.192 -6.054 1.00 0.37 C ATOM 1740 CG1 ILE A 109 5.837 3.488 -6.502 1.00 0.32 C ATOM 1741 CG2 ILE A 109 8.027 2.345 -6.076 1.00 0.54 C ATOM 1742 CD1 ILE A 109 6.168 4.683 -5.629 1.00 0.39 C ATOM 0 H ILE A 109 5.392 2.136 -8.556 1.00 0.39 H new ATOM 0 HA ILE A 109 6.844 0.220 -6.858 1.00 0.36 H new ATOM 0 HB ILE A 109 6.198 1.986 -5.032 1.00 0.37 H new ATOM 0 HG12 ILE A 109 6.131 3.706 -7.529 1.00 0.32 H new ATOM 0 HG13 ILE A 109 4.757 3.339 -6.505 1.00 0.32 H new ATOM 0 HG21 ILE A 109 8.317 3.185 -5.445 1.00 0.54 H new ATOM 0 HG22 ILE A 109 8.491 1.433 -5.701 1.00 0.54 H new ATOM 0 HG23 ILE A 109 8.359 2.527 -7.098 1.00 0.54 H new ATOM 0 HD11 ILE A 109 5.651 5.565 -6.007 1.00 0.39 H new ATOM 0 HD12 ILE A 109 5.848 4.486 -4.606 1.00 0.39 H new ATOM 0 HD13 ILE A 109 7.244 4.859 -5.645 1.00 0.39 H new ATOM 1754 N LEU A 110 4.865 -0.632 -5.710 1.00 0.33 N ATOM 1755 CA LEU A 110 3.705 -1.299 -5.148 1.00 0.34 C ATOM 1756 C LEU A 110 3.575 -0.891 -3.680 1.00 0.35 C ATOM 1757 O LEU A 110 4.428 -1.242 -2.865 1.00 0.41 O ATOM 1758 CB LEU A 110 3.880 -2.829 -5.232 1.00 0.43 C ATOM 1759 CG LEU A 110 3.934 -3.464 -6.636 1.00 0.47 C ATOM 1760 CD1 LEU A 110 5.129 -2.975 -7.439 1.00 1.01 C ATOM 1761 CD2 LEU A 110 3.983 -4.980 -6.517 1.00 1.08 C ATOM 0 H LEU A 110 5.753 -1.071 -5.468 1.00 0.33 H new ATOM 0 HA LEU A 110 2.814 -1.013 -5.706 1.00 0.34 H new ATOM 0 HB2 LEU A 110 4.799 -3.091 -4.709 1.00 0.43 H new ATOM 0 HB3 LEU A 110 3.059 -3.292 -4.685 1.00 0.43 H new ATOM 0 HG LEU A 110 3.032 -3.161 -7.167 1.00 0.47 H new ATOM 0 HD11 LEU A 110 5.126 -3.449 -8.421 1.00 1.01 H new ATOM 0 HD12 LEU A 110 5.069 -1.893 -7.558 1.00 1.01 H new ATOM 0 HD13 LEU A 110 6.049 -3.232 -6.915 1.00 1.01 H new ATOM 0 HD21 LEU A 110 4.021 -5.422 -7.513 1.00 1.08 H new ATOM 0 HD22 LEU A 110 4.871 -5.272 -5.956 1.00 1.08 H new ATOM 0 HD23 LEU A 110 3.092 -5.333 -5.997 1.00 1.08 H new ATOM 1773 N LEU A 111 2.510 -0.186 -3.324 1.00 0.31 N ATOM 1774 CA LEU A 111 2.403 0.366 -1.974 1.00 0.34 C ATOM 1775 C LEU A 111 1.357 -0.375 -1.150 1.00 0.36 C ATOM 1776 O LEU A 111 0.324 -0.784 -1.666 1.00 0.46 O ATOM 1777 CB LEU A 111 2.074 1.867 -2.020 1.00 0.34 C ATOM 1778 CG LEU A 111 3.151 2.765 -2.645 1.00 0.32 C ATOM 1779 CD1 LEU A 111 2.949 4.213 -2.232 1.00 0.38 C ATOM 1780 CD2 LEU A 111 4.541 2.303 -2.257 1.00 0.43 C ATOM 0 H LEU A 111 1.719 0.017 -3.936 1.00 0.31 H new ATOM 0 HA LEU A 111 3.371 0.234 -1.491 1.00 0.34 H new ATOM 0 HB2 LEU A 111 1.147 2.000 -2.578 1.00 0.34 H new ATOM 0 HB3 LEU A 111 1.886 2.210 -1.003 1.00 0.34 H new ATOM 0 HG LEU A 111 3.055 2.692 -3.728 1.00 0.32 H new ATOM 0 HD11 LEU A 111 3.723 4.832 -2.686 1.00 0.38 H new ATOM 0 HD12 LEU A 111 1.969 4.554 -2.567 1.00 0.38 H new ATOM 0 HD13 LEU A 111 3.010 4.294 -1.147 1.00 0.38 H new ATOM 0 HD21 LEU A 111 5.283 2.958 -2.714 1.00 0.43 H new ATOM 0 HD22 LEU A 111 4.646 2.337 -1.173 1.00 0.43 H new ATOM 0 HD23 LEU A 111 4.695 1.282 -2.605 1.00 0.43 H new ATOM 1792 N PRO A 112 1.641 -0.586 0.145 1.00 0.30 N ATOM 1793 CA PRO A 112 0.716 -1.249 1.070 1.00 0.29 C ATOM 1794 C PRO A 112 -0.536 -0.413 1.333 1.00 0.27 C ATOM 1795 O PRO A 112 -0.453 0.708 1.839 1.00 0.30 O ATOM 1796 CB PRO A 112 1.532 -1.410 2.361 1.00 0.33 C ATOM 1797 CG PRO A 112 2.949 -1.159 1.969 1.00 0.53 C ATOM 1798 CD PRO A 112 2.895 -0.210 0.809 1.00 0.33 C ATOM 0 HA PRO A 112 0.354 -2.194 0.666 1.00 0.29 H new ATOM 0 HB2 PRO A 112 1.204 -0.703 3.123 1.00 0.33 H new ATOM 0 HB3 PRO A 112 1.411 -2.409 2.780 1.00 0.33 H new ATOM 0 HG2 PRO A 112 3.513 -0.731 2.798 1.00 0.53 H new ATOM 0 HG3 PRO A 112 3.447 -2.088 1.691 1.00 0.53 H new ATOM 0 HD2 PRO A 112 2.884 0.830 1.136 1.00 0.33 H new ATOM 0 HD3 PRO A 112 3.754 -0.328 0.149 1.00 0.33 H new ATOM 1806 N ILE A 113 -1.695 -0.978 1.006 1.00 0.27 N ATOM 1807 CA ILE A 113 -2.969 -0.276 1.150 1.00 0.27 C ATOM 1808 C ILE A 113 -3.283 0.025 2.625 1.00 0.29 C ATOM 1809 O ILE A 113 -4.050 0.939 2.932 1.00 0.31 O ATOM 1810 CB ILE A 113 -4.135 -1.062 0.480 1.00 0.29 C ATOM 1811 CG1 ILE A 113 -5.431 -0.249 0.535 1.00 0.31 C ATOM 1812 CG2 ILE A 113 -4.333 -2.437 1.106 1.00 0.30 C ATOM 1813 CD1 ILE A 113 -6.687 -1.064 0.311 1.00 0.45 C ATOM 0 H ILE A 113 -1.779 -1.925 0.637 1.00 0.27 H new ATOM 0 HA ILE A 113 -2.871 0.677 0.630 1.00 0.27 H new ATOM 0 HB ILE A 113 -3.864 -1.221 -0.564 1.00 0.29 H new ATOM 0 HG12 ILE A 113 -5.498 0.241 1.506 1.00 0.31 H new ATOM 0 HG13 ILE A 113 -5.384 0.539 -0.217 1.00 0.31 H new ATOM 0 HG21 ILE A 113 -5.156 -2.949 0.607 1.00 0.30 H new ATOM 0 HG22 ILE A 113 -3.421 -3.023 0.994 1.00 0.30 H new ATOM 0 HG23 ILE A 113 -4.564 -2.325 2.165 1.00 0.30 H new ATOM 0 HD11 ILE A 113 -7.559 -0.412 0.366 1.00 0.45 H new ATOM 0 HD12 ILE A 113 -6.646 -1.533 -0.672 1.00 0.45 H new ATOM 0 HD13 ILE A 113 -6.762 -1.835 1.078 1.00 0.45 H new ATOM 1825 N GLU A 114 -2.665 -0.736 3.529 1.00 0.32 N ATOM 1826 CA GLU A 114 -2.843 -0.547 4.972 1.00 0.39 C ATOM 1827 C GLU A 114 -2.475 0.877 5.394 1.00 0.38 C ATOM 1828 O GLU A 114 -3.116 1.460 6.266 1.00 0.46 O ATOM 1829 CB GLU A 114 -1.981 -1.555 5.746 1.00 0.47 C ATOM 1830 CG GLU A 114 -2.149 -1.482 7.259 1.00 0.73 C ATOM 1831 CD GLU A 114 -1.307 -2.499 8.009 1.00 1.58 C ATOM 1832 OE1 GLU A 114 -1.118 -3.620 7.484 1.00 1.86 O ATOM 1833 OE2 GLU A 114 -0.813 -2.177 9.111 1.00 2.32 O ATOM 0 H GLU A 114 -2.030 -1.497 3.285 1.00 0.32 H new ATOM 0 HA GLU A 114 -3.895 -0.713 5.205 1.00 0.39 H new ATOM 0 HB2 GLU A 114 -2.229 -2.562 5.411 1.00 0.47 H new ATOM 0 HB3 GLU A 114 -0.933 -1.386 5.499 1.00 0.47 H new ATOM 0 HG2 GLU A 114 -1.884 -0.481 7.599 1.00 0.73 H new ATOM 0 HG3 GLU A 114 -3.199 -1.636 7.508 1.00 0.73 H new ATOM 1840 N LEU A 115 -1.455 1.439 4.755 1.00 0.32 N ATOM 1841 CA LEU A 115 -0.949 2.754 5.133 1.00 0.33 C ATOM 1842 C LEU A 115 -1.427 3.836 4.171 1.00 0.32 C ATOM 1843 O LEU A 115 -0.878 4.940 4.135 1.00 0.33 O ATOM 1844 CB LEU A 115 0.580 2.737 5.175 1.00 0.41 C ATOM 1845 CG LEU A 115 1.191 1.774 6.194 1.00 0.51 C ATOM 1846 CD1 LEU A 115 2.710 1.803 6.117 1.00 0.62 C ATOM 1847 CD2 LEU A 115 0.720 2.115 7.600 1.00 0.58 C ATOM 0 H LEU A 115 -0.963 1.006 3.974 1.00 0.32 H new ATOM 0 HA LEU A 115 -1.339 2.987 6.124 1.00 0.33 H new ATOM 0 HB2 LEU A 115 0.952 2.477 4.184 1.00 0.41 H new ATOM 0 HB3 LEU A 115 0.933 3.745 5.394 1.00 0.41 H new ATOM 0 HG LEU A 115 0.856 0.765 5.954 1.00 0.51 H new ATOM 0 HD11 LEU A 115 3.125 1.111 6.850 1.00 0.62 H new ATOM 0 HD12 LEU A 115 3.029 1.507 5.118 1.00 0.62 H new ATOM 0 HD13 LEU A 115 3.066 2.811 6.328 1.00 0.62 H new ATOM 0 HD21 LEU A 115 1.165 1.419 8.311 1.00 0.58 H new ATOM 0 HD22 LEU A 115 1.023 3.132 7.849 1.00 0.58 H new ATOM 0 HD23 LEU A 115 -0.366 2.038 7.648 1.00 0.58 H new ATOM 1859 N CYS A 116 -2.449 3.523 3.392 1.00 0.37 N ATOM 1860 CA CYS A 116 -2.979 4.467 2.421 1.00 0.39 C ATOM 1861 C CYS A 116 -4.270 5.104 2.930 1.00 0.34 C ATOM 1862 O CYS A 116 -5.223 4.407 3.282 1.00 0.38 O ATOM 1863 CB CYS A 116 -3.231 3.768 1.083 1.00 0.48 C ATOM 1864 SG CYS A 116 -1.750 3.043 0.336 1.00 0.86 S ATOM 0 H CYS A 116 -2.928 2.623 3.413 1.00 0.37 H new ATOM 0 HA CYS A 116 -2.240 5.255 2.276 1.00 0.39 H new ATOM 0 HB2 CYS A 116 -3.972 2.982 1.230 1.00 0.48 H new ATOM 0 HB3 CYS A 116 -3.662 4.486 0.386 1.00 0.48 H new ATOM 0 HG CYS A 116 -1.293 2.100 1.106 1.00 0.86 H new ATOM 1870 N SER A 117 -4.287 6.425 2.987 1.00 0.32 N ATOM 1871 CA SER A 117 -5.489 7.156 3.347 1.00 0.29 C ATOM 1872 C SER A 117 -6.125 7.749 2.100 1.00 0.24 C ATOM 1873 O SER A 117 -5.586 8.668 1.488 1.00 0.29 O ATOM 1874 CB SER A 117 -5.146 8.251 4.360 1.00 0.35 C ATOM 1875 OG SER A 117 -4.393 7.714 5.435 1.00 0.97 O ATOM 0 H SER A 117 -3.479 7.014 2.788 1.00 0.32 H new ATOM 0 HA SER A 117 -6.205 6.475 3.807 1.00 0.29 H new ATOM 0 HB2 SER A 117 -4.579 9.043 3.871 1.00 0.35 H new ATOM 0 HB3 SER A 117 -6.062 8.703 4.740 1.00 0.35 H new ATOM 0 HG SER A 117 -4.180 8.427 6.073 1.00 0.97 H new ATOM 1881 N ILE A 118 -7.267 7.208 1.721 1.00 0.19 N ATOM 1882 CA ILE A 118 -7.981 7.691 0.560 1.00 0.21 C ATOM 1883 C ILE A 118 -8.876 8.857 0.964 1.00 0.32 C ATOM 1884 O ILE A 118 -9.752 8.726 1.824 1.00 0.38 O ATOM 1885 CB ILE A 118 -8.806 6.567 -0.130 1.00 0.23 C ATOM 1886 CG1 ILE A 118 -9.503 7.105 -1.382 1.00 0.29 C ATOM 1887 CG2 ILE A 118 -9.822 5.952 0.825 1.00 0.28 C ATOM 1888 CD1 ILE A 118 -10.172 6.034 -2.218 1.00 0.35 C ATOM 0 H ILE A 118 -7.719 6.431 2.203 1.00 0.19 H new ATOM 0 HA ILE A 118 -7.250 8.033 -0.172 1.00 0.21 H new ATOM 0 HB ILE A 118 -8.112 5.780 -0.426 1.00 0.23 H new ATOM 0 HG12 ILE A 118 -10.251 7.839 -1.083 1.00 0.29 H new ATOM 0 HG13 ILE A 118 -8.771 7.628 -1.997 1.00 0.29 H new ATOM 0 HG21 ILE A 118 -10.380 5.171 0.309 1.00 0.28 H new ATOM 0 HG22 ILE A 118 -9.302 5.522 1.681 1.00 0.28 H new ATOM 0 HG23 ILE A 118 -10.511 6.723 1.169 1.00 0.28 H new ATOM 0 HD11 ILE A 118 -10.644 6.493 -3.087 1.00 0.35 H new ATOM 0 HD12 ILE A 118 -9.426 5.312 -2.549 1.00 0.35 H new ATOM 0 HD13 ILE A 118 -10.929 5.526 -1.620 1.00 0.35 H new ATOM 1900 N GLU A 119 -8.609 10.012 0.387 1.00 0.45 N ATOM 1901 CA GLU A 119 -9.394 11.193 0.681 1.00 0.61 C ATOM 1902 C GLU A 119 -10.787 11.060 0.077 1.00 0.83 C ATOM 1903 O GLU A 119 -10.940 10.593 -1.050 1.00 0.96 O ATOM 1904 CB GLU A 119 -8.713 12.443 0.122 1.00 0.82 C ATOM 1905 CG GLU A 119 -7.463 12.864 0.865 1.00 1.47 C ATOM 1906 CD GLU A 119 -6.853 14.119 0.277 1.00 1.78 C ATOM 1907 OE1 GLU A 119 -6.298 14.051 -0.840 1.00 1.66 O ATOM 1908 OE2 GLU A 119 -6.942 15.183 0.925 1.00 2.44 O ATOM 0 H GLU A 119 -7.857 10.157 -0.286 1.00 0.45 H new ATOM 0 HA GLU A 119 -9.476 11.289 1.764 1.00 0.61 H new ATOM 0 HB2 GLU A 119 -8.457 12.265 -0.922 1.00 0.82 H new ATOM 0 HB3 GLU A 119 -9.426 13.268 0.139 1.00 0.82 H new ATOM 0 HG2 GLU A 119 -7.704 13.035 1.914 1.00 1.47 H new ATOM 0 HG3 GLU A 119 -6.732 12.056 0.833 1.00 1.47 H new ATOM 1915 N GLU A 120 -11.799 11.461 0.839 1.00 1.06 N ATOM 1916 CA GLU A 120 -13.171 11.429 0.349 1.00 1.32 C ATOM 1917 C GLU A 120 -13.365 12.506 -0.699 1.00 1.65 C ATOM 1918 O GLU A 120 -14.089 12.322 -1.677 1.00 1.92 O ATOM 1919 CB GLU A 120 -14.167 11.654 1.482 1.00 1.73 C ATOM 1920 CG GLU A 120 -13.899 10.801 2.699 1.00 2.13 C ATOM 1921 CD GLU A 120 -15.036 10.851 3.696 1.00 2.61 C ATOM 1922 OE1 GLU A 120 -16.125 10.316 3.383 1.00 3.11 O ATOM 1923 OE2 GLU A 120 -14.858 11.435 4.783 1.00 2.72 O ATOM 0 H GLU A 120 -11.696 11.810 1.792 1.00 1.06 H new ATOM 0 HA GLU A 120 -13.350 10.445 -0.084 1.00 1.32 H new ATOM 0 HB2 GLU A 120 -14.144 12.704 1.772 1.00 1.73 H new ATOM 0 HB3 GLU A 120 -15.173 11.446 1.117 1.00 1.73 H new ATOM 0 HG2 GLU A 120 -13.736 9.769 2.388 1.00 2.13 H new ATOM 0 HG3 GLU A 120 -12.981 11.137 3.181 1.00 2.13 H new ATOM 1930 N GLY A 121 -12.729 13.645 -0.451 1.00 1.79 N ATOM 1931 CA GLY A 121 -12.741 14.748 -1.388 1.00 2.29 C ATOM 1932 C GLY A 121 -14.049 15.515 -1.392 1.00 2.43 C ATOM 1933 O GLY A 121 -14.057 16.745 -1.336 1.00 3.05 O ATOM 0 H GLY A 121 -12.196 13.824 0.400 1.00 1.79 H new ATOM 0 HA2 GLY A 121 -11.927 15.431 -1.145 1.00 2.29 H new ATOM 0 HA3 GLY A 121 -12.548 14.366 -2.391 1.00 2.29 H new ATOM 1937 N GLN A 122 -15.152 14.783 -1.468 1.00 2.55 N ATOM 1938 CA GLN A 122 -16.483 15.375 -1.508 1.00 3.50 C ATOM 1939 C GLN A 122 -16.831 16.024 -0.175 1.00 4.00 C ATOM 1940 O GLN A 122 -17.490 17.062 -0.129 1.00 4.71 O ATOM 1941 CB GLN A 122 -17.518 14.303 -1.854 1.00 4.26 C ATOM 1942 CG GLN A 122 -17.269 13.631 -3.195 1.00 4.41 C ATOM 1943 CD GLN A 122 -18.227 12.487 -3.464 1.00 5.12 C ATOM 1944 OE1 GLN A 122 -19.303 12.681 -4.029 1.00 5.26 O ATOM 1945 NE2 GLN A 122 -17.840 11.284 -3.071 1.00 5.89 N ATOM 0 H GLN A 122 -15.150 13.764 -1.504 1.00 2.55 H new ATOM 0 HA GLN A 122 -16.492 16.148 -2.276 1.00 3.50 H new ATOM 0 HB2 GLN A 122 -17.520 13.545 -1.071 1.00 4.26 H new ATOM 0 HB3 GLN A 122 -18.510 14.755 -1.862 1.00 4.26 H new ATOM 0 HG2 GLN A 122 -17.361 14.371 -3.990 1.00 4.41 H new ATOM 0 HG3 GLN A 122 -16.246 13.257 -3.225 1.00 4.41 H new ATOM 0 HE21 GLN A 122 -16.940 11.164 -2.606 1.00 5.89 H new ATOM 0 HE22 GLN A 122 -18.441 10.476 -3.233 1.00 5.89 H new ATOM 1954 N ALA A 123 -16.376 15.407 0.901 1.00 4.01 N ATOM 1955 CA ALA A 123 -16.644 15.899 2.240 1.00 4.97 C ATOM 1956 C ALA A 123 -15.350 16.332 2.911 1.00 5.11 C ATOM 1957 O ALA A 123 -14.679 15.469 3.512 1.00 5.43 O ATOM 1958 CB ALA A 123 -17.347 14.834 3.066 1.00 5.74 C ATOM 1959 OXT ALA A 123 -15.009 17.532 2.823 1.00 5.29 O ATOM 0 H ALA A 123 -15.814 14.556 0.872 1.00 4.01 H new ATOM 0 HA ALA A 123 -17.302 16.765 2.169 1.00 4.97 H new ATOM 0 HB1 ALA A 123 -17.541 15.219 4.067 1.00 5.74 H new ATOM 0 HB2 ALA A 123 -18.291 14.569 2.590 1.00 5.74 H new ATOM 0 HB3 ALA A 123 -16.714 13.949 3.134 1.00 5.74 H new TER 1965 ALA A 123 ATOM 1966 P A B 204 11.880 2.174 -5.080 1.00 0.94 P ATOM 1967 OP1 A B 204 10.795 1.174 -5.191 1.00 1.39 O ATOM 1968 OP2 A B 204 12.543 2.649 -6.318 1.00 1.43 O ATOM 1969 O5' A B 204 11.344 3.455 -4.292 1.00 0.74 O ATOM 1970 C5' A B 204 10.006 3.579 -3.793 1.00 0.54 C ATOM 1971 C4' A B 204 10.037 4.106 -2.376 1.00 0.57 C ATOM 1972 O4' A B 204 10.986 5.202 -2.309 1.00 0.80 O ATOM 1973 C3' A B 204 8.739 4.711 -1.861 1.00 0.71 C ATOM 1974 O3' A B 204 8.714 4.716 -0.436 1.00 0.83 O ATOM 1975 C2' A B 204 8.796 6.123 -2.430 1.00 0.92 C ATOM 1976 O2' A B 204 8.055 7.040 -1.649 1.00 1.25 O ATOM 1977 C1' A B 204 10.288 6.435 -2.294 1.00 0.96 C ATOM 1978 N9 A B 204 10.824 7.281 -3.362 1.00 1.03 N ATOM 1979 C8 A B 204 12.138 7.621 -3.569 1.00 1.20 C ATOM 1980 N7 A B 204 12.321 8.445 -4.572 1.00 1.33 N ATOM 1981 C5 A B 204 11.040 8.663 -5.060 1.00 1.23 C ATOM 1982 C6 A B 204 10.557 9.444 -6.122 1.00 1.33 C ATOM 1983 N6 A B 204 11.337 10.197 -6.901 1.00 1.54 N ATOM 1984 N1 A B 204 9.226 9.440 -6.350 1.00 1.27 N ATOM 1985 C2 A B 204 8.443 8.699 -5.555 1.00 1.14 C ATOM 1986 N3 A B 204 8.779 7.926 -4.526 1.00 1.03 N ATOM 1987 C4 A B 204 10.109 7.950 -4.327 1.00 1.06 C ATOM 0 H5' A B 204 9.506 2.611 -3.820 1.00 0.54 H new ATOM 0 H5'' A B 204 9.431 4.252 -4.429 1.00 0.54 H new ATOM 0 H4' A B 204 10.276 3.230 -1.774 1.00 0.57 H new ATOM 0 H3' A B 204 7.843 4.164 -2.156 1.00 0.71 H new ATOM 0 H2' A B 204 8.386 6.197 -3.437 1.00 0.92 H new ATOM 0 HO2' A B 204 7.414 6.552 -1.091 1.00 1.25 H new ATOM 0 H1' A B 204 10.418 6.991 -1.365 1.00 0.96 H new ATOM 0 H8 A B 204 12.947 7.244 -2.961 1.00 1.20 H new ATOM 0 H61 A B 204 10.926 10.743 -7.658 1.00 1.54 H new ATOM 0 H62 A B 204 12.344 10.226 -6.739 1.00 1.54 H new ATOM 0 H2 A B 204 7.388 8.734 -5.782 1.00 1.14 H new ATOM 1999 P C B 205 7.352 4.409 0.360 1.00 0.79 P ATOM 2000 OP1 C B 205 6.415 5.528 0.083 1.00 1.29 O ATOM 2001 OP2 C B 205 7.700 4.081 1.766 1.00 0.93 O ATOM 2002 O5' C B 205 6.777 3.098 -0.337 1.00 0.93 O ATOM 2003 C5' C B 205 7.555 1.906 -0.441 1.00 0.77 C ATOM 2004 C4' C B 205 7.750 1.551 -1.894 1.00 0.68 C ATOM 2005 O4' C B 205 9.173 1.409 -2.147 1.00 0.58 O ATOM 2006 C3' C B 205 7.113 0.240 -2.352 1.00 0.90 C ATOM 2007 O3' C B 205 6.424 0.407 -3.588 1.00 1.30 O ATOM 2008 C2' C B 205 8.289 -0.717 -2.514 1.00 0.66 C ATOM 2009 O2' C B 205 8.067 -1.656 -3.548 1.00 0.92 O ATOM 2010 C1' C B 205 9.380 0.259 -2.934 1.00 0.54 C ATOM 2011 N1 C B 205 10.749 -0.233 -2.700 1.00 0.66 N ATOM 2012 C2 C B 205 11.231 -1.311 -3.451 1.00 0.97 C ATOM 2013 O2 C B 205 10.495 -1.831 -4.305 1.00 1.09 O ATOM 2014 N3 C B 205 12.484 -1.765 -3.225 1.00 1.23 N ATOM 2015 C4 C B 205 13.248 -1.187 -2.293 1.00 1.21 C ATOM 2016 N4 C B 205 14.479 -1.668 -2.110 1.00 1.53 N ATOM 2017 C5 C B 205 12.782 -0.091 -1.515 1.00 0.96 C ATOM 2018 C6 C B 205 11.540 0.350 -1.749 1.00 0.71 C ATOM 0 H5' C B 205 7.056 1.088 0.079 1.00 0.77 H new ATOM 0 H5'' C B 205 8.522 2.048 0.042 1.00 0.77 H new ATOM 0 H4' C B 205 7.264 2.358 -2.442 1.00 0.68 H new ATOM 0 H3' C B 205 6.371 -0.126 -1.642 1.00 0.90 H new ATOM 0 H2' C B 205 8.498 -1.313 -1.626 1.00 0.66 H new ATOM 0 HO2' C B 205 8.851 -1.687 -4.135 1.00 0.92 H new ATOM 0 HO3' C B 205 6.906 -0.067 -4.298 1.00 1.30 H new ATOM 0 H1' C B 205 9.309 0.430 -4.008 1.00 0.54 H new ATOM 0 H41 C B 205 15.090 -1.252 -1.407 1.00 1.53 H new ATOM 0 H42 C B 205 14.809 -2.452 -2.673 1.00 1.53 H new ATOM 0 H5 C B 205 13.407 0.368 -0.763 1.00 0.96 H new ATOM 0 H6 C B 205 11.156 1.181 -1.176 1.00 0.71 H new TER 2031 C B 205