USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1045 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 87 THR OG1 : rot -90:sc= -0.347 USER MOD Set 1.2: A 109 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0819) USER MOD Set 2.1: A 108 LYS NZ :NH3+ -162:sc= 1.07 (180deg=-0.84) USER MOD Set 2.2: A 112 ASN : amide:sc= -0.703! K(o=0.37!,f=-7.3) USER MOD Set 3.1: A 99 THR OG1 : rot 120:sc= 0.0217 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0.0197 USER MOD Set 4.1: A 53 LYS NZ :NH3+ 176:sc= -1.99! (180deg=-2.14) USER MOD Set 4.2: A 107 GLN : amide:sc= -7.81! C(o=-9.8!,f=-20!) USER MOD Set 5.1: A 48 SER OG : rot -46:sc= 1.01 USER MOD Set 5.2: A 49 CYS SG : rot 152:sc= -3.71! USER MOD Set 6.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 42 ASN : amide:sc= -3.73! C(o=-11!,f=-10!) USER MOD Set 6.3: A 82 ASN : amide:sc= -7.77! C(o=-11!,f=-6.3!) USER MOD Set 7.1: A 16 SER OG : rot -61:sc= -2.61! USER MOD Set 7.2: A 19 ASN : amide:sc= -4.08! C(o=-6.7!,f=-8.5!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.199 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.101 (180deg=-0.713) USER MOD Single : A 12 LYS NZ :NH3+ -154:sc= -0.0916 (180deg=-0.56) USER MOD Single : A 22 ASN : amide:sc= -3.15! K(o=-3.1!,f=-2.1) USER MOD Single : A 23 HIS : no HE2:sc= -1.87! C(o=-1.9!,f=-15!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -0.721 (180deg=-1.61!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 1:sc= -0.238 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -1.32 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= -4.78! (180deg=-5.19!) USER MOD Single : A 66 LYS NZ :NH3+ 149:sc= -0.265 (180deg=-1.35!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.882 K(o=-0.88,f=-2.1!) USER MOD Single : A 74 SER OG : rot 151:sc= -0.0123 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= -1.08! (180deg=-2.98!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.001 USER MOD Single : A 92 SER OG : rot -57:sc= 0.685 USER MOD Single : A 94 ASN : amide:sc= -0.191 K(o=-0.19,f=-4.1!) USER MOD Single : A 95 MET CE :methyl 174:sc= -0.856 (180deg=-0.882) USER MOD Single : A 102 CYS SG : rot -105:sc= -0.0526 USER MOD Single : A 114 MET CE :methyl -153:sc= -0.906 (180deg=-1.84) USER MOD Single : A 116 LYS NZ :NH3+ -162:sc= -0.0877 (180deg=-0.599) USER MOD Single : A 118 SER OG : rot -33:sc= -1.13 USER MOD Single : A 119 TYR OH : rot -155:sc= -3.2! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= -0.167 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -138:sc= -0.872! USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -10.064 1.672 -12.440 1.00 15.43 N ATOM 18 CA SER A 6 -11.531 1.860 -12.583 1.00 14.66 C ATOM 19 C SER A 6 -12.081 2.502 -11.312 1.00 13.40 C ATOM 20 O SER A 6 -11.457 2.476 -10.269 1.00 12.58 O ATOM 21 CB SER A 6 -12.204 0.505 -12.807 1.00 15.49 C ATOM 22 OG SER A 6 -12.077 -0.281 -11.630 1.00 15.97 O ATOM 0 HA SER A 6 -11.735 2.506 -13.437 1.00 14.66 H new ATOM 0 HB2 SER A 6 -13.257 0.645 -13.053 1.00 15.49 H new ATOM 0 HB3 SER A 6 -11.744 -0.007 -13.652 1.00 15.49 H new ATOM 0 HG SER A 6 -12.508 -1.150 -11.769 1.00 15.97 H new ATOM 28 N GLN A 7 -13.244 3.081 -11.392 1.00 13.37 N ATOM 29 CA GLN A 7 -13.839 3.732 -10.194 1.00 12.23 C ATOM 30 C GLN A 7 -14.255 2.660 -9.180 1.00 11.36 C ATOM 31 O GLN A 7 -14.238 2.877 -7.992 1.00 10.97 O ATOM 32 CB GLN A 7 -15.065 4.541 -10.619 1.00 13.19 C ATOM 33 CG GLN A 7 -14.622 5.719 -11.490 1.00 13.36 C ATOM 34 CD GLN A 7 -15.853 6.510 -11.930 1.00 13.61 C ATOM 35 OE1 GLN A 7 -16.846 5.937 -12.326 1.00 13.82 O ATOM 36 NE2 GLN A 7 -15.831 7.814 -11.874 1.00 13.77 N ATOM 0 H GLN A 7 -13.811 3.132 -12.239 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.105 4.394 -9.734 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -15.759 3.907 -11.171 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -15.597 4.905 -9.740 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -13.941 6.363 -10.933 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -14.077 5.357 -12.362 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -14.996 8.296 -11.541 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -16.649 8.351 -12.163 1.00 13.77 H new ATOM 45 N GLU A 8 -14.643 1.511 -9.644 1.00 13.01 N ATOM 46 CA GLU A 8 -15.068 0.433 -8.707 1.00 12.24 C ATOM 47 C GLU A 8 -13.891 -0.009 -7.834 1.00 11.73 C ATOM 48 O GLU A 8 -14.053 -0.335 -6.675 1.00 11.71 O ATOM 49 CB GLU A 8 -15.569 -0.764 -9.513 1.00 13.27 C ATOM 50 CG GLU A 8 -16.898 -0.407 -10.176 1.00 13.55 C ATOM 51 CD GLU A 8 -17.985 -0.287 -9.108 1.00 14.55 C ATOM 52 OE1 GLU A 8 -17.723 -0.671 -7.980 1.00 15.06 O ATOM 53 OE2 GLU A 8 -19.058 0.193 -9.433 1.00 14.92 O ATOM 0 H GLU A 8 -14.686 1.268 -10.634 1.00 13.01 H new ATOM 0 HA GLU A 8 -15.862 0.815 -8.066 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -14.835 -1.040 -10.270 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -15.695 -1.628 -8.861 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -16.804 0.532 -10.721 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.171 -1.172 -10.903 1.00 13.55 H new ATOM 60 N GLU A 9 -12.715 -0.054 -8.390 1.00 11.46 N ATOM 61 CA GLU A 9 -11.531 -0.519 -7.613 1.00 11.12 C ATOM 62 C GLU A 9 -11.119 0.490 -6.530 1.00 10.28 C ATOM 63 O GLU A 9 -10.744 0.104 -5.440 1.00 10.32 O ATOM 64 CB GLU A 9 -10.362 -0.735 -8.570 1.00 12.40 C ATOM 65 CG GLU A 9 -10.649 -1.957 -9.446 1.00 13.24 C ATOM 66 CD GLU A 9 -9.616 -2.049 -10.570 1.00 14.08 C ATOM 67 OE1 GLU A 9 -8.757 -1.185 -10.632 1.00 14.26 O ATOM 68 OE2 GLU A 9 -9.701 -2.981 -11.352 1.00 14.68 O ATOM 0 H GLU A 9 -12.520 0.213 -9.355 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.801 -1.450 -7.114 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.218 0.148 -9.193 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.439 -0.883 -8.009 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -10.622 -2.863 -8.841 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -11.652 -1.885 -9.867 1.00 13.24 H new ATOM 75 N VAL A 10 -11.158 1.764 -6.802 1.00 9.75 N ATOM 76 CA VAL A 10 -10.734 2.744 -5.756 1.00 9.10 C ATOM 77 C VAL A 10 -11.629 2.613 -4.522 1.00 7.91 C ATOM 78 O VAL A 10 -11.215 2.886 -3.415 1.00 7.70 O ATOM 79 CB VAL A 10 -10.797 4.179 -6.313 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.217 4.201 -7.739 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.251 4.696 -6.316 1.00 11.17 C ATOM 0 H VAL A 10 -11.460 2.168 -7.689 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.705 2.529 -5.468 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.206 4.835 -5.674 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.261 5.216 -8.134 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.180 3.866 -7.715 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.799 3.537 -8.379 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.275 5.711 -6.713 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.866 4.048 -6.940 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.640 4.695 -5.298 1.00 11.17 H new ATOM 91 N LYS A 11 -12.853 2.204 -4.697 1.00 7.38 N ATOM 92 CA LYS A 11 -13.753 2.067 -3.519 1.00 6.32 C ATOM 93 C LYS A 11 -13.141 1.060 -2.551 1.00 5.68 C ATOM 94 O LYS A 11 -13.162 1.241 -1.349 1.00 5.93 O ATOM 95 CB LYS A 11 -15.132 1.589 -3.970 1.00 8.26 C ATOM 96 CG LYS A 11 -15.812 2.708 -4.761 1.00 8.64 C ATOM 97 CD LYS A 11 -17.195 2.241 -5.211 1.00 9.23 C ATOM 98 CE LYS A 11 -17.868 3.339 -6.037 1.00 9.91 C ATOM 99 NZ LYS A 11 -17.914 4.604 -5.252 1.00 10.51 N ATOM 0 H LYS A 11 -13.267 1.960 -5.597 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.866 3.032 -3.024 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.038 0.695 -4.587 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.738 1.317 -3.106 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.901 3.603 -4.144 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.207 2.976 -5.627 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.107 1.330 -5.803 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.808 1.999 -4.343 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.319 3.496 -6.966 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -18.878 3.033 -6.311 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -18.643 5.231 -5.647 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -18.142 4.389 -4.260 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -16.989 5.076 -5.300 1.00 10.51 H new ATOM 113 N LYS A 12 -12.581 0.004 -3.073 1.00 5.08 N ATOM 114 CA LYS A 12 -11.949 -1.019 -2.198 1.00 4.72 C ATOM 115 C LYS A 12 -10.798 -0.370 -1.435 1.00 4.34 C ATOM 116 O LYS A 12 -10.533 -0.695 -0.296 1.00 4.65 O ATOM 117 CB LYS A 12 -11.418 -2.172 -3.058 1.00 6.91 C ATOM 118 CG LYS A 12 -12.580 -3.078 -3.483 1.00 7.86 C ATOM 119 CD LYS A 12 -13.511 -2.314 -4.433 1.00 8.86 C ATOM 120 CE LYS A 12 -14.403 -3.299 -5.192 1.00 9.89 C ATOM 121 NZ LYS A 12 -13.576 -4.082 -6.152 1.00 10.82 N ATOM 0 H LYS A 12 -12.535 -0.194 -4.073 1.00 5.08 H new ATOM 0 HA LYS A 12 -12.682 -1.411 -1.493 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -10.911 -1.778 -3.939 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -10.682 -2.748 -2.497 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -12.196 -3.971 -3.975 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.134 -3.411 -2.605 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -14.126 -1.614 -3.868 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.923 -1.725 -5.137 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -14.899 -3.971 -4.491 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -15.186 -2.760 -5.726 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -14.172 -4.405 -6.941 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -12.810 -3.482 -6.520 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -13.168 -4.906 -5.667 1.00 10.82 H new ATOM 135 N TRP A 13 -10.111 0.546 -2.051 1.00 4.15 N ATOM 136 CA TRP A 13 -8.980 1.209 -1.353 1.00 3.58 C ATOM 137 C TRP A 13 -9.510 1.901 -0.100 1.00 2.38 C ATOM 138 O TRP A 13 -8.844 1.977 0.902 1.00 2.83 O ATOM 139 CB TRP A 13 -8.344 2.257 -2.269 1.00 4.70 C ATOM 140 CG TRP A 13 -7.856 1.625 -3.538 1.00 4.98 C ATOM 141 CD1 TRP A 13 -7.898 0.301 -3.839 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.236 2.279 -4.681 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.351 0.112 -5.094 1.00 5.86 N ATOM 144 CE2 TRP A 13 -6.927 1.301 -5.653 1.00 5.70 C ATOM 145 CE3 TRP A 13 -6.918 3.620 -4.965 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.324 1.639 -6.861 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.308 3.963 -6.181 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.012 2.974 -7.127 1.00 6.26 C ATOM 0 H TRP A 13 -10.283 0.864 -3.005 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.232 0.462 -1.086 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.072 3.035 -2.501 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.513 2.741 -1.755 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.294 -0.476 -3.202 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.270 -0.796 -5.552 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.145 4.390 -4.242 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.099 0.873 -7.588 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.066 4.995 -6.388 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.543 3.243 -8.062 1.00 6.26 H new ATOM 159 N ALA A 14 -10.706 2.408 -0.141 1.00 0.01 N ATOM 160 CA ALA A 14 -11.256 3.085 1.064 1.00 0.01 C ATOM 161 C ALA A 14 -11.784 2.029 2.041 1.00 0.01 C ATOM 162 O ALA A 14 -12.174 2.337 3.148 1.00 0.01 O ATOM 163 CB ALA A 14 -12.400 4.013 0.648 1.00 0.00 C ATOM 0 H ALA A 14 -11.325 2.384 -0.951 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.472 3.669 1.546 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.804 4.510 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.026 4.761 -0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.186 3.429 0.168 1.00 0.00 H new ATOM 169 N GLU A 15 -11.816 0.786 1.630 1.00 0.01 N ATOM 170 CA GLU A 15 -12.340 -0.289 2.530 1.00 0.01 C ATOM 171 C GLU A 15 -11.225 -0.880 3.401 1.00 0.01 C ATOM 172 O GLU A 15 -11.476 -1.318 4.505 1.00 0.01 O ATOM 173 CB GLU A 15 -12.951 -1.402 1.677 1.00 0.01 C ATOM 174 CG GLU A 15 -14.240 -0.900 1.026 1.00 0.01 C ATOM 175 CD GLU A 15 -15.322 -0.726 2.093 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.168 -1.294 3.163 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.285 -0.029 1.825 1.00 0.01 O ATOM 0 H GLU A 15 -11.503 0.469 0.713 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.092 0.149 3.186 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.243 -1.717 0.910 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.160 -2.275 2.295 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -14.058 0.048 0.521 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.575 -1.607 0.267 1.00 0.01 H new ATOM 184 N SER A 16 -10.000 -0.912 2.936 1.00 0.01 N ATOM 185 CA SER A 16 -8.916 -1.497 3.789 1.00 0.01 C ATOM 186 C SER A 16 -7.535 -1.292 3.149 1.00 0.00 C ATOM 187 O SER A 16 -7.372 -1.376 1.948 1.00 0.00 O ATOM 188 CB SER A 16 -9.167 -2.997 3.968 1.00 0.01 C ATOM 189 OG SER A 16 -9.386 -3.591 2.696 1.00 0.01 O ATOM 0 H SER A 16 -9.706 -0.567 2.022 1.00 0.01 H new ATOM 0 HA SER A 16 -8.929 -0.991 4.754 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.313 -3.464 4.458 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.032 -3.159 4.611 1.00 0.01 H new ATOM 0 HG SER A 16 -10.180 -3.193 2.281 1.00 0.01 H new ATOM 195 N LEU A 17 -6.539 -1.040 3.966 1.00 0.00 N ATOM 196 CA LEU A 17 -5.147 -0.826 3.457 1.00 0.00 C ATOM 197 C LEU A 17 -4.660 -2.065 2.707 1.00 0.01 C ATOM 198 O LEU A 17 -4.003 -1.965 1.688 1.00 0.00 O ATOM 199 CB LEU A 17 -4.221 -0.532 4.645 1.00 0.01 C ATOM 200 CG LEU A 17 -2.769 -0.350 4.174 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.683 0.790 3.148 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.883 -0.013 5.385 1.00 0.00 C ATOM 0 H LEU A 17 -6.634 -0.973 4.979 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.139 0.018 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.557 0.369 5.159 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.275 -1.349 5.365 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.427 -1.274 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.650 0.909 2.822 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.310 0.554 2.288 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.028 1.717 3.605 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.852 0.117 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.235 0.909 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.933 -0.826 6.110 1.00 0.00 H new ATOM 214 N GLU A 18 -4.963 -3.230 3.200 1.00 0.01 N ATOM 215 CA GLU A 18 -4.508 -4.469 2.512 1.00 0.00 C ATOM 216 C GLU A 18 -5.022 -4.462 1.070 1.00 0.00 C ATOM 217 O GLU A 18 -4.332 -4.860 0.154 1.00 0.01 O ATOM 218 CB GLU A 18 -5.076 -5.686 3.246 1.00 0.01 C ATOM 219 CG GLU A 18 -4.394 -5.834 4.607 1.00 0.01 C ATOM 220 CD GLU A 18 -4.991 -7.034 5.345 1.00 0.00 C ATOM 221 OE1 GLU A 18 -5.989 -7.556 4.875 1.00 0.01 O ATOM 222 OE2 GLU A 18 -4.440 -7.412 6.366 1.00 0.01 O ATOM 0 H GLU A 18 -5.506 -3.379 4.050 1.00 0.01 H new ATOM 0 HA GLU A 18 -3.419 -4.514 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.152 -5.573 3.378 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -4.921 -6.586 2.651 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -3.321 -5.971 4.476 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -4.530 -4.926 5.195 1.00 0.01 H new ATOM 229 N ASN A 19 -6.231 -4.018 0.865 1.00 0.01 N ATOM 230 CA ASN A 19 -6.792 -3.993 -0.517 1.00 0.00 C ATOM 231 C ASN A 19 -5.931 -3.089 -1.410 1.00 0.00 C ATOM 232 O ASN A 19 -5.546 -3.470 -2.495 1.00 0.01 O ATOM 233 CB ASN A 19 -8.222 -3.448 -0.476 1.00 0.01 C ATOM 234 CG ASN A 19 -9.139 -4.452 0.228 1.00 0.01 C ATOM 235 OD1 ASN A 19 -10.271 -4.142 0.540 1.00 0.01 O ATOM 236 ND2 ASN A 19 -8.696 -5.650 0.496 1.00 0.01 N ATOM 0 H ASN A 19 -6.855 -3.671 1.593 1.00 0.01 H new ATOM 0 HA ASN A 19 -6.795 -5.005 -0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.242 -2.493 0.049 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -8.580 -3.263 -1.489 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -9.300 -6.324 0.967 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -7.746 -5.913 0.235 1.00 0.01 H new ATOM 243 N LEU A 20 -5.615 -1.901 -0.965 1.00 0.00 N ATOM 244 CA LEU A 20 -4.776 -0.994 -1.804 1.00 0.01 C ATOM 245 C LEU A 20 -3.433 -1.676 -2.070 1.00 0.01 C ATOM 246 O LEU A 20 -2.950 -1.719 -3.184 1.00 0.00 O ATOM 247 CB LEU A 20 -4.554 0.330 -1.053 1.00 0.00 C ATOM 248 CG LEU A 20 -3.690 1.306 -1.873 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.468 1.828 -3.086 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.307 2.490 -0.984 1.00 0.01 C ATOM 0 H LEU A 20 -5.899 -1.521 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.274 -0.786 -2.751 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.517 0.791 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.071 0.130 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.800 0.783 -2.224 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.840 2.516 -3.652 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.754 0.991 -3.722 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.363 2.349 -2.747 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.694 3.189 -1.553 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.210 2.995 -0.641 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.743 2.131 -0.123 1.00 0.01 H new ATOM 262 N ILE A 21 -2.836 -2.218 -1.050 1.00 0.01 N ATOM 263 CA ILE A 21 -1.534 -2.913 -1.219 1.00 0.00 C ATOM 264 C ILE A 21 -1.746 -4.217 -1.997 1.00 0.00 C ATOM 265 O ILE A 21 -0.905 -4.639 -2.762 1.00 0.00 O ATOM 266 CB ILE A 21 -0.949 -3.216 0.161 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.607 -1.896 0.859 1.00 0.00 C ATOM 268 CG2 ILE A 21 0.317 -4.061 0.018 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.257 -2.166 2.323 1.00 0.01 C ATOM 0 H ILE A 21 -3.198 -2.209 -0.097 1.00 0.01 H new ATOM 0 HA ILE A 21 -0.843 -2.279 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.679 -3.770 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.232 -1.414 0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.452 -1.210 0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.727 -4.272 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.074 -4.999 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.054 -3.516 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.014 -1.226 2.818 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.109 -2.629 2.821 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.601 -2.836 2.374 1.00 0.01 H new ATOM 281 N ASN A 22 -2.859 -4.868 -1.787 1.00 0.00 N ATOM 282 CA ASN A 22 -3.124 -6.161 -2.493 1.00 0.01 C ATOM 283 C ASN A 22 -3.809 -5.908 -3.843 1.00 0.01 C ATOM 284 O ASN A 22 -4.208 -6.833 -4.522 1.00 0.01 O ATOM 285 CB ASN A 22 -4.038 -7.027 -1.623 1.00 0.01 C ATOM 286 CG ASN A 22 -3.348 -7.328 -0.292 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.980 -7.766 0.649 1.00 0.01 O ATOM 288 ND2 ASN A 22 -2.068 -7.105 -0.169 1.00 0.01 N ATOM 0 H ASN A 22 -3.599 -4.561 -1.156 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.175 -6.668 -2.669 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -4.982 -6.512 -1.446 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -4.274 -7.957 -2.140 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -1.599 -7.298 0.716 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -1.536 -6.737 -0.958 1.00 0.01 H new ATOM 295 N HIS A 23 -3.949 -4.670 -4.248 1.00 0.01 N ATOM 296 CA HIS A 23 -4.609 -4.376 -5.563 1.00 0.01 C ATOM 297 C HIS A 23 -3.536 -4.231 -6.649 1.00 0.01 C ATOM 298 O HIS A 23 -2.585 -3.494 -6.504 1.00 0.01 O ATOM 299 CB HIS A 23 -5.406 -3.079 -5.446 1.00 0.00 C ATOM 300 CG HIS A 23 -6.049 -2.759 -6.760 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.378 -1.465 -7.121 1.00 0.01 N ATOM 302 CD2 HIS A 23 -6.452 -3.555 -7.802 1.00 0.01 C ATOM 303 CE1 HIS A 23 -6.957 -1.518 -8.332 1.00 0.01 C ATOM 304 NE2 HIS A 23 -7.025 -2.768 -8.795 1.00 0.01 N ATOM 0 H HIS A 23 -3.636 -3.850 -3.728 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.282 -5.191 -5.830 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.168 -3.178 -4.672 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.749 -2.263 -5.144 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -6.211 -0.624 -6.569 1.00 0.01 H new ATOM 0 HD2 HIS A 23 -6.341 -4.628 -7.845 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.323 -0.654 -8.866 1.00 0.01 H new ATOM 312 N GLU A 24 -3.677 -4.954 -7.728 1.00 0.01 N ATOM 313 CA GLU A 24 -2.663 -4.897 -8.826 1.00 0.01 C ATOM 314 C GLU A 24 -2.532 -3.480 -9.397 1.00 0.01 C ATOM 315 O GLU A 24 -1.437 -2.979 -9.587 1.00 0.01 O ATOM 316 CB GLU A 24 -3.096 -5.843 -9.947 1.00 0.01 C ATOM 317 CG GLU A 24 -2.018 -5.900 -11.032 1.00 0.01 C ATOM 318 CD GLU A 24 -2.467 -6.849 -12.143 1.00 0.01 C ATOM 319 OE1 GLU A 24 -3.483 -7.500 -11.962 1.00 0.00 O ATOM 320 OE2 GLU A 24 -1.789 -6.910 -13.155 1.00 0.01 O ATOM 0 H GLU A 24 -4.458 -5.588 -7.899 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.697 -5.192 -8.416 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.271 -6.841 -9.544 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.038 -5.503 -10.377 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.842 -4.904 -11.438 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.075 -6.242 -10.606 1.00 0.01 H new ATOM 327 N CYS A 25 -3.622 -2.820 -9.684 1.00 0.01 N ATOM 328 CA CYS A 25 -3.503 -1.449 -10.256 1.00 0.01 C ATOM 329 C CYS A 25 -3.273 -0.478 -9.110 1.00 0.01 C ATOM 330 O CYS A 25 -2.587 0.513 -9.251 1.00 0.00 O ATOM 331 CB CYS A 25 -4.776 -1.075 -11.019 1.00 0.01 C ATOM 332 SG CYS A 25 -4.404 0.263 -12.181 1.00 0.00 S ATOM 0 H CYS A 25 -4.573 -3.163 -9.550 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.669 -1.409 -10.957 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.160 -1.942 -11.556 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.553 -0.762 -10.322 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.482 0.583 -12.833 1.00 0.00 H new ATOM 338 N GLY A 26 -3.803 -0.776 -7.958 1.00 0.01 N ATOM 339 CA GLY A 26 -3.557 0.117 -6.805 1.00 0.01 C ATOM 340 C GLY A 26 -2.072 0.046 -6.503 1.00 0.01 C ATOM 341 O GLY A 26 -1.438 1.042 -6.257 1.00 0.01 O ATOM 0 H GLY A 26 -4.388 -1.590 -7.770 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.856 1.139 -7.037 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.142 -0.197 -5.941 1.00 0.01 H new ATOM 345 N LEU A 27 -1.497 -1.127 -6.573 1.00 0.01 N ATOM 346 CA LEU A 27 -0.035 -1.240 -6.336 1.00 0.00 C ATOM 347 C LEU A 27 0.662 -0.290 -7.307 1.00 0.00 C ATOM 348 O LEU A 27 1.586 0.412 -6.950 1.00 0.00 O ATOM 349 CB LEU A 27 0.424 -2.683 -6.581 1.00 0.00 C ATOM 350 CG LEU A 27 0.123 -3.547 -5.341 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.145 -5.026 -5.735 1.00 0.00 C ATOM 352 CD2 LEU A 27 1.173 -3.289 -4.237 1.00 0.01 C ATOM 0 H LEU A 27 -1.976 -2.003 -6.783 1.00 0.01 H new ATOM 0 HA LEU A 27 0.211 -0.979 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.086 -3.093 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.492 -2.702 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.862 -3.283 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.068 -5.639 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.610 -5.210 -6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.129 -5.283 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.946 -3.907 -3.368 1.00 0.01 H new ATOM 0 HD22 LEU A 27 2.165 -3.541 -4.612 1.00 0.01 H new ATOM 0 HD23 LEU A 27 1.149 -2.237 -3.951 1.00 0.01 H new ATOM 364 N ALA A 28 0.205 -0.243 -8.530 1.00 0.00 N ATOM 365 CA ALA A 28 0.827 0.689 -9.511 1.00 0.00 C ATOM 366 C ALA A 28 0.683 2.126 -8.995 1.00 0.01 C ATOM 367 O ALA A 28 1.628 2.889 -8.978 1.00 0.00 O ATOM 368 CB ALA A 28 0.126 0.553 -10.870 1.00 0.00 C ATOM 0 H ALA A 28 -0.566 -0.806 -8.889 1.00 0.00 H new ATOM 0 HA ALA A 28 1.883 0.446 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.584 1.236 -11.585 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.227 -0.471 -11.231 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.931 0.797 -10.760 1.00 0.00 H new ATOM 374 N ALA A 29 -0.495 2.497 -8.571 1.00 0.00 N ATOM 375 CA ALA A 29 -0.709 3.880 -8.052 1.00 0.01 C ATOM 376 C ALA A 29 -0.037 4.023 -6.688 1.00 0.00 C ATOM 377 O ALA A 29 0.674 4.970 -6.421 1.00 0.00 O ATOM 378 CB ALA A 29 -2.209 4.139 -7.905 1.00 0.01 C ATOM 0 H ALA A 29 -1.322 1.900 -8.561 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.278 4.600 -8.748 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.369 5.148 -7.526 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.693 4.035 -8.876 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.636 3.418 -7.208 1.00 0.01 H new ATOM 384 N PHE A 30 -0.273 3.079 -5.827 1.00 0.00 N ATOM 385 CA PHE A 30 0.312 3.113 -4.460 1.00 0.00 C ATOM 386 C PHE A 30 1.845 3.130 -4.537 1.00 0.00 C ATOM 387 O PHE A 30 2.487 3.954 -3.916 1.00 0.00 O ATOM 388 CB PHE A 30 -0.188 1.881 -3.708 1.00 0.00 C ATOM 389 CG PHE A 30 0.643 1.616 -2.475 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.567 2.471 -1.368 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.487 0.502 -2.440 1.00 0.00 C ATOM 392 CE1 PHE A 30 1.338 2.203 -0.229 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.252 0.241 -1.309 1.00 0.00 C ATOM 394 CZ PHE A 30 2.181 1.084 -0.208 1.00 0.00 C ATOM 0 H PHE A 30 -0.860 2.266 -6.016 1.00 0.00 H new ATOM 0 HA PHE A 30 0.005 4.017 -3.933 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.230 2.025 -3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.154 1.012 -4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.083 3.333 -1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.545 -0.157 -3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.283 2.856 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.904 -0.620 -1.287 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.778 0.876 0.668 1.00 0.00 H new ATOM 404 N LYS A 31 2.445 2.250 -5.291 1.00 0.00 N ATOM 405 CA LYS A 31 3.935 2.261 -5.382 1.00 0.00 C ATOM 406 C LYS A 31 4.391 3.614 -5.932 1.00 0.00 C ATOM 407 O LYS A 31 5.317 4.223 -5.429 1.00 0.00 O ATOM 408 CB LYS A 31 4.405 1.150 -6.325 1.00 0.00 C ATOM 409 CG LYS A 31 4.173 -0.213 -5.667 1.00 0.00 C ATOM 410 CD LYS A 31 4.465 -1.341 -6.668 1.00 0.00 C ATOM 411 CE LYS A 31 5.979 -1.530 -6.843 1.00 0.01 C ATOM 412 NZ LYS A 31 6.624 -1.727 -5.513 1.00 0.00 N ATOM 0 H LYS A 31 1.976 1.531 -5.842 1.00 0.00 H new ATOM 0 HA LYS A 31 4.361 2.097 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.863 1.207 -7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.462 1.278 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.816 -0.317 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.143 -0.285 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.015 -2.270 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.009 -1.108 -7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.175 -2.390 -7.483 1.00 0.01 H new ATOM 0 HE3 LYS A 31 6.408 -0.659 -7.339 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 7.565 -2.149 -5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.720 -0.809 -5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.037 -2.360 -4.933 1.00 0.00 H new ATOM 426 N ALA A 32 3.734 4.098 -6.947 1.00 0.00 N ATOM 427 CA ALA A 32 4.108 5.419 -7.519 1.00 0.00 C ATOM 428 C ALA A 32 3.764 6.506 -6.503 1.00 0.01 C ATOM 429 O ALA A 32 4.497 7.456 -6.312 1.00 0.00 O ATOM 430 CB ALA A 32 3.320 5.651 -8.808 1.00 0.00 C ATOM 0 H ALA A 32 2.951 3.633 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 32 5.175 5.445 -7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.591 6.618 -9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.554 4.863 -9.524 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.252 5.637 -8.589 1.00 0.00 H new ATOM 436 N PHE A 33 2.646 6.365 -5.846 1.00 0.00 N ATOM 437 CA PHE A 33 2.236 7.375 -4.836 1.00 0.00 C ATOM 438 C PHE A 33 3.286 7.468 -3.730 1.00 0.00 C ATOM 439 O PHE A 33 3.666 8.544 -3.319 1.00 0.00 O ATOM 440 CB PHE A 33 0.899 6.960 -4.231 1.00 0.00 C ATOM 441 CG PHE A 33 0.493 7.954 -3.178 1.00 0.00 C ATOM 442 CD1 PHE A 33 -0.191 9.117 -3.541 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.800 7.711 -1.836 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.566 10.039 -2.560 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.426 8.631 -0.855 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.258 9.796 -1.217 1.00 0.00 C ATOM 0 H PHE A 33 1.996 5.588 -5.968 1.00 0.00 H new ATOM 0 HA PHE A 33 2.142 8.348 -5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.137 6.907 -5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.979 5.964 -3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.429 9.303 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.327 6.810 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.094 10.939 -2.839 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.664 8.444 0.182 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.549 10.509 -0.459 1.00 0.00 H new ATOM 456 N LEU A 34 3.765 6.358 -3.242 1.00 0.00 N ATOM 457 CA LEU A 34 4.791 6.429 -2.163 1.00 0.00 C ATOM 458 C LEU A 34 6.003 7.182 -2.695 1.00 0.00 C ATOM 459 O LEU A 34 6.605 7.977 -2.002 1.00 0.00 O ATOM 460 CB LEU A 34 5.237 5.029 -1.728 1.00 0.00 C ATOM 461 CG LEU A 34 4.105 4.269 -1.011 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.628 2.888 -0.550 1.00 0.00 C ATOM 463 CD2 LEU A 34 3.600 5.075 0.206 1.00 0.00 C ATOM 0 H LEU A 34 3.497 5.419 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 34 4.356 6.938 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.560 4.462 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.098 5.111 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 34 3.274 4.132 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.829 2.347 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.959 2.316 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.465 3.026 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.800 4.524 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.421 5.230 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.221 6.041 -0.129 1.00 0.00 H new ATOM 475 N LYS A 35 6.369 6.943 -3.922 1.00 0.00 N ATOM 476 CA LYS A 35 7.544 7.657 -4.482 1.00 0.00 C ATOM 477 C LYS A 35 7.286 9.162 -4.380 1.00 0.01 C ATOM 478 O LYS A 35 8.177 9.934 -4.090 1.00 0.00 O ATOM 479 CB LYS A 35 7.752 7.241 -5.943 1.00 0.00 C ATOM 480 CG LYS A 35 8.967 7.976 -6.525 1.00 0.00 C ATOM 481 CD LYS A 35 9.476 7.231 -7.761 1.00 0.00 C ATOM 482 CE LYS A 35 8.377 7.176 -8.822 1.00 0.00 C ATOM 483 NZ LYS A 35 8.963 6.729 -10.117 1.00 0.01 N ATOM 0 H LYS A 35 5.909 6.289 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 35 8.446 7.404 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.903 6.163 -6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.861 7.473 -6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.694 8.997 -6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.757 8.042 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.357 7.733 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.781 6.221 -7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.589 6.490 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.918 8.158 -8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.217 6.691 -10.841 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 9.700 7.400 -10.414 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 9.381 5.784 -10.001 1.00 0.01 H new ATOM 497 N SER A 36 6.067 9.584 -4.588 1.00 0.00 N ATOM 498 CA SER A 36 5.751 11.037 -4.471 1.00 0.00 C ATOM 499 C SER A 36 5.999 11.475 -3.024 1.00 0.00 C ATOM 500 O SER A 36 6.345 12.609 -2.755 1.00 0.00 O ATOM 501 CB SER A 36 4.285 11.279 -4.833 1.00 0.00 C ATOM 502 OG SER A 36 4.056 10.852 -6.169 1.00 0.00 O ATOM 0 H SER A 36 5.278 8.986 -4.833 1.00 0.00 H new ATOM 0 HA SER A 36 6.383 11.609 -5.151 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.634 10.735 -4.148 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.043 12.337 -4.730 1.00 0.00 H new ATOM 0 HG SER A 36 3.117 11.004 -6.405 1.00 0.00 H new ATOM 508 N GLU A 37 5.825 10.572 -2.091 1.00 0.00 N ATOM 509 CA GLU A 37 6.048 10.903 -0.648 1.00 0.00 C ATOM 510 C GLU A 37 7.413 10.364 -0.220 1.00 0.00 C ATOM 511 O GLU A 37 7.750 10.351 0.948 1.00 0.00 O ATOM 512 CB GLU A 37 4.956 10.243 0.199 1.00 0.00 C ATOM 513 CG GLU A 37 3.616 10.936 -0.055 1.00 0.00 C ATOM 514 CD GLU A 37 2.513 10.218 0.726 1.00 0.01 C ATOM 515 OE1 GLU A 37 2.772 9.127 1.207 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.434 10.773 0.837 1.00 0.00 O ATOM 0 H GLU A 37 5.535 9.610 -2.269 1.00 0.00 H new ATOM 0 HA GLU A 37 6.015 11.983 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.881 9.184 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.214 10.306 1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.671 11.981 0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.386 10.927 -1.120 1.00 0.00 H new ATOM 523 N TYR A 38 8.201 9.923 -1.161 1.00 0.00 N ATOM 524 CA TYR A 38 9.550 9.390 -0.828 1.00 0.00 C ATOM 525 C TYR A 38 9.426 8.296 0.231 1.00 0.00 C ATOM 526 O TYR A 38 10.217 8.213 1.151 1.00 0.00 O ATOM 527 CB TYR A 38 10.423 10.535 -0.311 1.00 0.00 C ATOM 528 CG TYR A 38 10.494 11.603 -1.374 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.427 11.499 -2.411 1.00 0.00 C ATOM 530 CD2 TYR A 38 9.612 12.688 -1.332 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.482 12.482 -3.404 1.00 0.00 C ATOM 532 CE2 TYR A 38 9.664 13.670 -2.328 1.00 0.00 C ATOM 533 CZ TYR A 38 10.599 13.569 -3.363 1.00 0.01 C ATOM 534 OH TYR A 38 10.648 14.536 -4.347 1.00 0.00 O ATOM 0 H TYR A 38 7.966 9.909 -2.153 1.00 0.00 H new ATOM 0 HA TYR A 38 10.010 8.960 -1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.005 10.944 0.609 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.422 10.171 -0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.105 10.659 -2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.891 12.768 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.205 12.403 -4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.981 14.506 -2.297 1.00 0.00 H new ATOM 0 HH TYR A 38 9.967 15.218 -4.169 1.00 0.00 H new ATOM 544 N SER A 39 8.431 7.453 0.101 1.00 0.00 N ATOM 545 CA SER A 39 8.219 6.342 1.084 1.00 0.00 C ATOM 546 C SER A 39 8.275 4.997 0.342 1.00 0.00 C ATOM 547 O SER A 39 7.632 4.038 0.722 1.00 0.00 O ATOM 548 CB SER A 39 6.851 6.532 1.754 1.00 0.00 C ATOM 549 OG SER A 39 7.012 7.324 2.923 1.00 0.00 O ATOM 0 H SER A 39 7.747 7.487 -0.655 1.00 0.00 H new ATOM 0 HA SER A 39 8.996 6.353 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.159 7.015 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.421 5.564 2.012 1.00 0.00 H new ATOM 0 HG SER A 39 6.141 7.450 3.355 1.00 0.00 H new ATOM 555 N GLU A 40 9.038 4.920 -0.719 1.00 0.00 N ATOM 556 CA GLU A 40 9.130 3.641 -1.480 1.00 0.00 C ATOM 557 C GLU A 40 9.789 2.570 -0.610 1.00 0.00 C ATOM 558 O GLU A 40 9.604 1.387 -0.812 1.00 0.00 O ATOM 559 CB GLU A 40 9.949 3.854 -2.762 1.00 0.00 C ATOM 560 CG GLU A 40 11.350 4.396 -2.431 1.00 0.00 C ATOM 561 CD GLU A 40 11.276 5.899 -2.145 1.00 0.00 C ATOM 562 OE1 GLU A 40 10.441 6.557 -2.742 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.058 6.367 -1.333 1.00 0.00 O ATOM 0 H GLU A 40 9.599 5.687 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 40 8.127 3.312 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.037 2.912 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.430 4.552 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.756 3.872 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.028 4.209 -3.264 1.00 0.00 H new ATOM 570 N GLU A 41 10.552 2.973 0.363 1.00 0.00 N ATOM 571 CA GLU A 41 11.206 1.976 1.250 1.00 0.00 C ATOM 572 C GLU A 41 10.127 1.208 2.014 1.00 0.00 C ATOM 573 O GLU A 41 10.288 0.049 2.343 1.00 0.00 O ATOM 574 CB GLU A 41 12.126 2.697 2.235 1.00 0.00 C ATOM 575 CG GLU A 41 11.323 3.735 3.022 1.00 0.00 C ATOM 576 CD GLU A 41 12.268 4.530 3.923 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.386 4.079 4.116 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.861 5.574 4.403 1.00 0.00 O ATOM 0 H GLU A 41 10.751 3.949 0.583 1.00 0.00 H new ATOM 0 HA GLU A 41 11.797 1.280 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.579 1.978 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.941 3.183 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.805 4.406 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.559 3.241 3.623 1.00 0.00 H new ATOM 585 N ASN A 42 9.023 1.848 2.301 1.00 0.00 N ATOM 586 CA ASN A 42 7.932 1.159 3.046 1.00 0.00 C ATOM 587 C ASN A 42 7.442 -0.060 2.265 1.00 0.00 C ATOM 588 O ASN A 42 7.271 -1.126 2.820 1.00 0.00 O ATOM 589 CB ASN A 42 6.767 2.127 3.267 1.00 0.00 C ATOM 590 CG ASN A 42 7.181 3.198 4.276 1.00 0.00 C ATOM 591 OD1 ASN A 42 8.064 2.981 5.081 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.571 4.350 4.270 1.00 0.00 N ATOM 0 H ASN A 42 8.832 2.818 2.051 1.00 0.00 H new ATOM 0 HA ASN A 42 8.320 0.829 4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.482 2.592 2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.894 1.586 3.632 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.835 5.070 4.942 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.830 4.531 3.593 1.00 0.00 H new ATOM 599 N ILE A 43 7.215 0.067 0.983 1.00 0.00 N ATOM 600 CA ILE A 43 6.745 -1.119 0.214 1.00 0.00 C ATOM 601 C ILE A 43 7.897 -2.118 0.095 1.00 0.00 C ATOM 602 O ILE A 43 7.705 -3.311 0.225 1.00 0.00 O ATOM 603 CB ILE A 43 6.223 -0.677 -1.173 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.899 -1.898 -2.070 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.264 0.200 -1.870 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.618 -2.619 -1.604 1.00 0.00 C ATOM 0 H ILE A 43 7.333 0.925 0.445 1.00 0.00 H new ATOM 0 HA ILE A 43 5.918 -1.604 0.733 1.00 0.00 H new ATOM 0 HB ILE A 43 5.306 -0.110 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.778 -1.570 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.737 -2.595 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.887 0.506 -2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.460 1.084 -1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.188 -0.364 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.422 -3.470 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.750 -2.969 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.776 -1.928 -1.646 1.00 0.00 H new ATOM 618 N ASP A 44 9.097 -1.652 -0.126 1.00 0.00 N ATOM 619 CA ASP A 44 10.237 -2.602 -0.220 1.00 0.00 C ATOM 620 C ASP A 44 10.339 -3.331 1.115 1.00 0.00 C ATOM 621 O ASP A 44 10.518 -4.533 1.178 1.00 0.00 O ATOM 622 CB ASP A 44 11.532 -1.829 -0.488 1.00 0.00 C ATOM 623 CG ASP A 44 11.502 -1.263 -1.909 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.737 -1.769 -2.711 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.246 -0.331 -2.169 1.00 0.00 O ATOM 0 H ASP A 44 9.333 -0.667 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 44 10.082 -3.311 -1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.642 -1.021 0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.393 -2.486 -0.365 1.00 0.00 H new ATOM 630 N PHE A 45 10.195 -2.599 2.184 1.00 0.00 N ATOM 631 CA PHE A 45 10.247 -3.214 3.534 1.00 0.00 C ATOM 632 C PHE A 45 9.048 -4.156 3.684 1.00 0.00 C ATOM 633 O PHE A 45 9.150 -5.235 4.234 1.00 0.00 O ATOM 634 CB PHE A 45 10.167 -2.095 4.575 1.00 0.00 C ATOM 635 CG PHE A 45 10.288 -2.664 5.969 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.530 -3.111 6.431 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.164 -2.733 6.804 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.652 -3.629 7.725 1.00 0.00 C ATOM 639 CE2 PHE A 45 9.287 -3.249 8.100 1.00 0.00 C ATOM 640 CZ PHE A 45 10.529 -3.698 8.560 1.00 0.00 C ATOM 0 H PHE A 45 10.042 -1.591 2.177 1.00 0.00 H new ATOM 0 HA PHE A 45 11.170 -3.777 3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.962 -1.370 4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.222 -1.562 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.396 -3.056 5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.204 -2.389 6.448 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.611 -3.975 8.080 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.422 -3.300 8.745 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.623 -4.098 9.559 1.00 0.00 H new ATOM 650 N TRP A 46 7.913 -3.743 3.190 1.00 0.00 N ATOM 651 CA TRP A 46 6.687 -4.586 3.282 1.00 0.00 C ATOM 652 C TRP A 46 6.922 -5.916 2.565 1.00 0.00 C ATOM 653 O TRP A 46 6.582 -6.968 3.063 1.00 0.00 O ATOM 654 CB TRP A 46 5.520 -3.857 2.617 1.00 0.00 C ATOM 655 CG TRP A 46 4.251 -4.622 2.841 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.583 -4.681 4.013 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.486 -5.421 1.893 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.453 -5.462 3.846 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.349 -5.943 2.556 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.665 -5.740 0.536 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.421 -6.751 1.895 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.736 -6.554 -0.133 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.615 -7.058 0.544 1.00 0.00 C ATOM 0 H TRP A 46 7.781 -2.847 2.721 1.00 0.00 H new ATOM 0 HA TRP A 46 6.456 -4.774 4.331 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.426 -2.851 3.027 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.707 -3.750 1.549 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.882 -4.197 4.931 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.779 -5.658 4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.523 -5.357 0.004 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.561 -7.136 2.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.886 -6.794 -1.175 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.903 -7.682 0.023 1.00 0.00 H new ATOM 674 N ILE A 47 7.496 -5.876 1.395 1.00 0.00 N ATOM 675 CA ILE A 47 7.738 -7.141 0.649 1.00 0.00 C ATOM 676 C ILE A 47 8.643 -8.045 1.482 1.00 0.00 C ATOM 677 O ILE A 47 8.426 -9.236 1.577 1.00 0.00 O ATOM 678 CB ILE A 47 8.406 -6.822 -0.693 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.397 -6.109 -1.597 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.862 -8.123 -1.366 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.114 -5.549 -2.826 1.00 0.00 C ATOM 0 H ILE A 47 7.807 -5.026 0.925 1.00 0.00 H new ATOM 0 HA ILE A 47 6.792 -7.650 0.462 1.00 0.00 H new ATOM 0 HB ILE A 47 9.272 -6.181 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.615 -6.803 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.909 -5.303 -1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.336 -7.892 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.575 -8.636 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.999 -8.766 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.394 -5.042 -3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.879 -4.841 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.581 -6.365 -3.378 1.00 0.00 H new ATOM 693 N SER A 48 9.646 -7.493 2.102 1.00 0.00 N ATOM 694 CA SER A 48 10.540 -8.334 2.938 1.00 0.00 C ATOM 695 C SER A 48 9.751 -8.816 4.156 1.00 0.00 C ATOM 696 O SER A 48 9.866 -9.949 4.582 1.00 0.00 O ATOM 697 CB SER A 48 11.736 -7.501 3.394 1.00 0.00 C ATOM 698 OG SER A 48 11.302 -6.527 4.334 1.00 0.00 O ATOM 0 H SER A 48 9.884 -6.502 2.066 1.00 0.00 H new ATOM 0 HA SER A 48 10.900 -9.190 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.492 -8.145 3.844 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.202 -7.014 2.537 1.00 0.00 H new ATOM 0 HG SER A 48 10.495 -6.084 3.997 1.00 0.00 H new ATOM 704 N CYS A 49 8.942 -7.956 4.712 1.00 0.00 N ATOM 705 CA CYS A 49 8.127 -8.341 5.897 1.00 0.00 C ATOM 706 C CYS A 49 7.059 -9.355 5.481 1.00 0.00 C ATOM 707 O CYS A 49 6.779 -10.300 6.189 1.00 0.01 O ATOM 708 CB CYS A 49 7.450 -7.098 6.470 1.00 0.00 C ATOM 709 SG CYS A 49 8.714 -5.916 6.996 1.00 0.01 S ATOM 0 H CYS A 49 8.810 -6.996 4.393 1.00 0.00 H new ATOM 0 HA CYS A 49 8.774 -8.788 6.652 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.802 -6.645 5.720 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.818 -7.371 7.315 1.00 0.00 H new ATOM 0 HG CYS A 49 8.241 -4.708 6.911 1.00 0.01 H new ATOM 715 N GLU A 50 6.453 -9.166 4.338 1.00 0.00 N ATOM 716 CA GLU A 50 5.401 -10.125 3.894 1.00 0.00 C ATOM 717 C GLU A 50 6.007 -11.519 3.771 1.00 0.01 C ATOM 718 O GLU A 50 5.459 -12.486 4.257 1.00 0.00 O ATOM 719 CB GLU A 50 4.841 -9.690 2.537 1.00 0.01 C ATOM 720 CG GLU A 50 3.909 -8.493 2.727 1.00 0.00 C ATOM 721 CD GLU A 50 2.626 -8.953 3.420 1.00 0.01 C ATOM 722 OE1 GLU A 50 1.956 -9.812 2.873 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.339 -8.441 4.489 1.00 0.01 O ATOM 0 H GLU A 50 6.640 -8.395 3.697 1.00 0.00 H new ATOM 0 HA GLU A 50 4.594 -10.139 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.656 -9.426 1.864 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.300 -10.515 2.074 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.402 -7.725 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.673 -8.045 1.762 1.00 0.00 H new ATOM 730 N GLU A 51 7.143 -11.633 3.145 1.00 0.01 N ATOM 731 CA GLU A 51 7.776 -12.972 3.022 1.00 0.00 C ATOM 732 C GLU A 51 8.036 -13.496 4.430 1.00 0.01 C ATOM 733 O GLU A 51 7.840 -14.659 4.724 1.00 0.00 O ATOM 734 CB GLU A 51 9.094 -12.843 2.257 1.00 0.00 C ATOM 735 CG GLU A 51 8.795 -12.516 0.791 1.00 0.00 C ATOM 736 CD GLU A 51 10.107 -12.334 0.027 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.150 -12.567 0.612 1.00 0.01 O ATOM 738 OE2 GLU A 51 10.046 -11.957 -1.133 1.00 0.00 O ATOM 0 H GLU A 51 7.657 -10.863 2.716 1.00 0.01 H new ATOM 0 HA GLU A 51 7.126 -13.659 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.710 -12.059 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.661 -13.771 2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.209 -13.318 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.196 -11.608 0.726 1.00 0.00 H new ATOM 745 N TYR A 52 8.461 -12.629 5.305 1.00 0.00 N ATOM 746 CA TYR A 52 8.724 -13.036 6.709 1.00 0.01 C ATOM 747 C TYR A 52 7.415 -13.537 7.334 1.00 0.01 C ATOM 748 O TYR A 52 7.390 -14.520 8.049 1.00 0.01 O ATOM 749 CB TYR A 52 9.233 -11.818 7.488 1.00 0.00 C ATOM 750 CG TYR A 52 9.779 -12.253 8.823 1.00 0.01 C ATOM 751 CD1 TYR A 52 8.909 -12.495 9.890 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.158 -12.416 8.993 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.419 -12.900 11.128 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.668 -12.822 10.228 1.00 0.00 C ATOM 755 CZ TYR A 52 10.800 -13.065 11.298 1.00 0.01 C ATOM 756 OH TYR A 52 11.302 -13.472 12.517 1.00 0.01 O ATOM 0 H TYR A 52 8.639 -11.645 5.103 1.00 0.00 H new ATOM 0 HA TYR A 52 9.470 -13.830 6.741 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.009 -11.309 6.917 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.423 -11.103 7.632 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.844 -12.369 9.759 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.829 -12.228 8.168 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.748 -13.086 11.953 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.733 -12.948 10.357 1.00 0.00 H new ATOM 0 HH TYR A 52 10.562 -13.621 13.142 1.00 0.01 H new ATOM 766 N LYS A 53 6.325 -12.862 7.066 1.00 0.01 N ATOM 767 CA LYS A 53 5.010 -13.286 7.635 1.00 0.01 C ATOM 768 C LYS A 53 4.537 -14.592 6.990 1.00 0.01 C ATOM 769 O LYS A 53 3.705 -15.291 7.532 1.00 0.01 O ATOM 770 CB LYS A 53 3.959 -12.195 7.403 1.00 0.01 C ATOM 771 CG LYS A 53 4.272 -10.986 8.290 1.00 0.00 C ATOM 772 CD LYS A 53 3.223 -9.894 8.058 1.00 0.00 C ATOM 773 CE LYS A 53 3.486 -8.721 9.007 1.00 0.01 C ATOM 774 NZ LYS A 53 4.910 -8.294 8.896 1.00 0.00 N ATOM 0 H LYS A 53 6.290 -12.032 6.475 1.00 0.01 H new ATOM 0 HA LYS A 53 5.139 -13.446 8.705 1.00 0.01 H new ATOM 0 HB2 LYS A 53 3.953 -11.898 6.354 1.00 0.01 H new ATOM 0 HB3 LYS A 53 2.965 -12.579 7.631 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.277 -11.283 9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.267 -10.603 8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.260 -9.553 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.223 -10.294 8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.827 -7.888 8.763 1.00 0.01 H new ATOM 0 HE3 LYS A 53 3.263 -9.014 10.033 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 5.068 -7.455 9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.530 -9.066 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.127 -8.062 7.906 1.00 0.00 H new ATOM 788 N LYS A 54 5.049 -14.931 5.838 1.00 0.00 N ATOM 789 CA LYS A 54 4.607 -16.194 5.174 1.00 0.01 C ATOM 790 C LYS A 54 5.432 -17.367 5.703 1.00 0.01 C ATOM 791 O LYS A 54 4.960 -18.484 5.776 1.00 0.01 O ATOM 792 CB LYS A 54 4.808 -16.070 3.660 1.00 0.01 C ATOM 793 CG LYS A 54 3.801 -15.068 3.089 1.00 0.01 C ATOM 794 CD LYS A 54 4.001 -14.943 1.576 1.00 0.00 C ATOM 795 CE LYS A 54 2.991 -13.943 1.008 1.00 0.01 C ATOM 796 NZ LYS A 54 3.407 -13.534 -0.364 1.00 0.01 N ATOM 0 H LYS A 54 5.750 -14.393 5.329 1.00 0.00 H new ATOM 0 HA LYS A 54 3.553 -16.367 5.389 1.00 0.01 H new ATOM 0 HB2 LYS A 54 5.825 -15.743 3.444 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.678 -17.042 3.185 1.00 0.01 H new ATOM 0 HG2 LYS A 54 2.784 -15.396 3.306 1.00 0.01 H new ATOM 0 HG3 LYS A 54 3.931 -14.096 3.565 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.017 -14.613 1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.873 -15.915 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.998 -14.391 0.979 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.927 -13.068 1.655 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 2.719 -12.855 -0.747 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 4.347 -13.090 -0.324 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 3.446 -14.372 -0.979 1.00 0.01 H new ATOM 810 N ILE A 55 6.654 -17.127 6.084 1.00 0.01 N ATOM 811 CA ILE A 55 7.490 -18.234 6.623 1.00 0.01 C ATOM 812 C ILE A 55 7.029 -18.577 8.039 1.00 0.00 C ATOM 813 O ILE A 55 7.067 -17.751 8.930 1.00 0.01 O ATOM 814 CB ILE A 55 8.956 -17.805 6.649 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.425 -17.535 5.218 1.00 0.01 C ATOM 816 CG2 ILE A 55 9.807 -18.917 7.262 1.00 0.00 C ATOM 817 CD1 ILE A 55 10.807 -16.881 5.242 1.00 0.01 C ATOM 0 H ILE A 55 7.109 -16.215 6.046 1.00 0.01 H new ATOM 0 HA ILE A 55 7.384 -19.112 5.985 1.00 0.01 H new ATOM 0 HB ILE A 55 9.061 -16.901 7.248 1.00 0.01 H new ATOM 0 HG12 ILE A 55 9.464 -18.468 4.656 1.00 0.01 H new ATOM 0 HG13 ILE A 55 8.714 -16.885 4.709 1.00 0.01 H new ATOM 0 HG21 ILE A 55 10.852 -18.608 7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.470 -19.114 8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.706 -19.823 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.137 -16.690 4.221 1.00 0.01 H new ATOM 0 HD12 ILE A 55 10.754 -15.939 5.788 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.516 -17.547 5.734 1.00 0.01 H new ATOM 829 N LYS A 56 6.597 -19.791 8.258 1.00 0.01 N ATOM 830 CA LYS A 56 6.130 -20.198 9.619 1.00 0.01 C ATOM 831 C LYS A 56 7.239 -20.976 10.332 1.00 0.01 C ATOM 832 O LYS A 56 7.084 -21.406 11.458 1.00 0.01 O ATOM 833 CB LYS A 56 4.894 -21.084 9.478 1.00 0.01 C ATOM 834 CG LYS A 56 3.745 -20.250 8.907 1.00 0.01 C ATOM 835 CD LYS A 56 2.499 -21.122 8.760 1.00 0.00 C ATOM 836 CE LYS A 56 1.357 -20.280 8.189 1.00 0.00 C ATOM 837 NZ LYS A 56 0.238 -21.171 7.778 1.00 0.00 N ATOM 0 H LYS A 56 6.547 -20.523 7.550 1.00 0.01 H new ATOM 0 HA LYS A 56 5.883 -19.311 10.202 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.109 -21.928 8.822 1.00 0.01 H new ATOM 0 HB3 LYS A 56 4.614 -21.497 10.447 1.00 0.01 H new ATOM 0 HG2 LYS A 56 3.534 -19.406 9.564 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.028 -19.838 7.939 1.00 0.01 H new ATOM 0 HD2 LYS A 56 2.707 -21.966 8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.213 -21.534 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.011 -19.565 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.709 -19.703 7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.538 -20.597 7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.573 -21.837 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.104 -21.702 8.604 1.00 0.00 H new ATOM 851 N SER A 57 8.361 -21.158 9.686 1.00 0.00 N ATOM 852 CA SER A 57 9.486 -21.905 10.326 1.00 0.01 C ATOM 853 C SER A 57 10.420 -20.900 11.035 1.00 0.01 C ATOM 854 O SER A 57 11.047 -20.102 10.372 1.00 0.00 O ATOM 855 CB SER A 57 10.280 -22.625 9.236 1.00 0.01 C ATOM 856 OG SER A 57 9.498 -23.691 8.713 1.00 0.01 O ATOM 0 H SER A 57 8.548 -20.821 8.741 1.00 0.00 H new ATOM 0 HA SER A 57 9.094 -22.623 11.046 1.00 0.01 H new ATOM 0 HB2 SER A 57 10.543 -21.928 8.441 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.214 -23.010 9.645 1.00 0.01 H new ATOM 0 HG SER A 57 10.003 -24.154 8.012 1.00 0.01 H new ATOM 862 N PRO A 58 10.530 -20.908 12.357 1.00 0.00 N ATOM 863 CA PRO A 58 11.425 -19.928 13.040 1.00 0.01 C ATOM 864 C PRO A 58 12.914 -20.194 12.762 1.00 0.00 C ATOM 865 O PRO A 58 13.776 -19.456 13.199 1.00 0.00 O ATOM 866 CB PRO A 58 11.080 -20.135 14.531 1.00 0.01 C ATOM 867 CG PRO A 58 10.232 -21.415 14.659 1.00 0.01 C ATOM 868 CD PRO A 58 9.795 -21.857 13.249 1.00 0.01 C ATOM 0 HA PRO A 58 11.271 -18.906 12.693 1.00 0.01 H new ATOM 0 HB2 PRO A 58 11.991 -20.223 15.123 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.531 -19.276 14.916 1.00 0.01 H new ATOM 0 HG2 PRO A 58 10.809 -22.204 15.141 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.359 -21.230 15.285 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.068 -22.893 13.048 1.00 0.01 H new ATOM 0 HD3 PRO A 58 8.716 -21.780 13.118 1.00 0.01 H new ATOM 876 N SER A 59 13.222 -21.241 12.044 1.00 0.01 N ATOM 877 CA SER A 59 14.653 -21.549 11.747 1.00 0.01 C ATOM 878 C SER A 59 15.106 -20.777 10.503 1.00 0.01 C ATOM 879 O SER A 59 16.269 -20.455 10.355 1.00 0.01 O ATOM 880 CB SER A 59 14.813 -23.047 11.492 1.00 0.01 C ATOM 881 OG SER A 59 14.457 -23.764 12.668 1.00 0.01 O ATOM 0 H SER A 59 12.546 -21.896 11.650 1.00 0.01 H new ATOM 0 HA SER A 59 15.263 -21.253 12.600 1.00 0.01 H new ATOM 0 HB2 SER A 59 14.181 -23.355 10.659 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.842 -23.272 11.212 1.00 0.01 H new ATOM 0 HG SER A 59 14.557 -24.726 12.508 1.00 0.01 H new ATOM 887 N LYS A 60 14.205 -20.484 9.600 1.00 0.00 N ATOM 888 CA LYS A 60 14.600 -19.744 8.366 1.00 0.00 C ATOM 889 C LYS A 60 14.471 -18.233 8.595 1.00 0.01 C ATOM 890 O LYS A 60 15.015 -17.437 7.857 1.00 0.01 O ATOM 891 CB LYS A 60 13.679 -20.159 7.215 1.00 0.01 C ATOM 892 CG LYS A 60 13.981 -21.602 6.805 1.00 0.01 C ATOM 893 CD LYS A 60 12.902 -22.102 5.838 1.00 0.01 C ATOM 894 CE LYS A 60 12.869 -21.230 4.580 1.00 0.01 C ATOM 895 NZ LYS A 60 12.160 -21.961 3.491 1.00 0.01 N ATOM 0 H LYS A 60 13.216 -20.725 9.664 1.00 0.00 H new ATOM 0 HA LYS A 60 15.635 -19.982 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.637 -20.068 7.520 1.00 0.01 H new ATOM 0 HB3 LYS A 60 13.821 -19.492 6.365 1.00 0.01 H new ATOM 0 HG2 LYS A 60 14.961 -21.658 6.332 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.016 -22.241 7.687 1.00 0.01 H new ATOM 0 HD2 LYS A 60 13.101 -23.138 5.565 1.00 0.01 H new ATOM 0 HD3 LYS A 60 11.928 -22.083 6.328 1.00 0.01 H new ATOM 0 HE2 LYS A 60 12.363 -20.288 4.790 1.00 0.01 H new ATOM 0 HE3 LYS A 60 13.884 -20.984 4.268 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 12.136 -21.371 2.635 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 12.661 -22.849 3.285 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 11.188 -22.174 3.792 1.00 0.01 H new ATOM 909 N LEU A 61 13.760 -17.830 9.612 1.00 0.01 N ATOM 910 CA LEU A 61 13.607 -16.369 9.880 1.00 0.01 C ATOM 911 C LEU A 61 14.980 -15.771 10.201 1.00 0.01 C ATOM 912 O LEU A 61 15.302 -14.670 9.802 1.00 0.01 O ATOM 913 CB LEU A 61 12.662 -16.151 11.067 1.00 0.01 C ATOM 914 CG LEU A 61 11.284 -16.767 10.772 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.334 -16.479 11.942 1.00 0.01 C ATOM 916 CD2 LEU A 61 10.696 -16.187 9.471 1.00 0.01 C ATOM 0 H LEU A 61 13.279 -18.446 10.268 1.00 0.01 H new ATOM 0 HA LEU A 61 13.189 -15.881 9.000 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.085 -16.602 11.965 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.556 -15.084 11.265 1.00 0.01 H new ATOM 0 HG LEU A 61 11.401 -17.844 10.649 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.357 -16.915 11.733 1.00 0.01 H new ATOM 0 HD12 LEU A 61 10.739 -16.915 12.855 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.230 -15.401 12.070 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.721 -16.636 9.281 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.585 -15.107 9.572 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.365 -16.407 8.639 1.00 0.01 H new ATOM 928 N SER A 62 15.786 -16.483 10.932 1.00 0.00 N ATOM 929 CA SER A 62 17.133 -15.957 11.291 1.00 0.01 C ATOM 930 C SER A 62 17.889 -15.468 10.033 1.00 0.01 C ATOM 931 O SER A 62 18.179 -14.294 9.919 1.00 0.01 O ATOM 932 CB SER A 62 17.924 -17.051 12.021 1.00 0.01 C ATOM 933 OG SER A 62 17.820 -16.835 13.422 1.00 0.01 O ATOM 0 H SER A 62 15.571 -17.410 11.299 1.00 0.00 H new ATOM 0 HA SER A 62 17.019 -15.099 11.953 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.534 -18.035 11.761 1.00 0.01 H new ATOM 0 HB3 SER A 62 18.969 -17.030 11.713 1.00 0.01 H new ATOM 0 HG SER A 62 18.321 -17.530 13.898 1.00 0.01 H new ATOM 939 N PRO A 63 18.219 -16.338 9.097 1.00 0.00 N ATOM 940 CA PRO A 63 18.958 -15.905 7.874 1.00 0.00 C ATOM 941 C PRO A 63 18.389 -14.621 7.245 1.00 0.01 C ATOM 942 O PRO A 63 19.097 -13.651 7.061 1.00 0.00 O ATOM 943 CB PRO A 63 18.794 -17.121 6.935 1.00 0.01 C ATOM 944 CG PRO A 63 18.051 -18.233 7.705 1.00 0.01 C ATOM 945 CD PRO A 63 17.897 -17.791 9.171 1.00 0.01 C ATOM 0 HA PRO A 63 19.995 -15.646 8.085 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.235 -16.839 6.043 1.00 0.01 H new ATOM 0 HB3 PRO A 63 19.769 -17.477 6.601 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.073 -18.414 7.259 1.00 0.01 H new ATOM 0 HG3 PRO A 63 18.606 -19.169 7.648 1.00 0.01 H new ATOM 0 HD2 PRO A 63 16.888 -17.966 9.545 1.00 0.01 H new ATOM 0 HD3 PRO A 63 18.579 -18.326 9.831 1.00 0.01 H new ATOM 953 N LYS A 64 17.129 -14.609 6.903 1.00 0.01 N ATOM 954 CA LYS A 64 16.552 -13.386 6.276 1.00 0.01 C ATOM 955 C LYS A 64 16.446 -12.270 7.321 1.00 0.00 C ATOM 956 O LYS A 64 16.550 -11.103 7.001 1.00 0.00 O ATOM 957 CB LYS A 64 15.161 -13.695 5.706 1.00 0.00 C ATOM 958 CG LYS A 64 14.173 -13.918 6.852 1.00 0.01 C ATOM 959 CD LYS A 64 12.891 -14.567 6.327 1.00 0.01 C ATOM 960 CE LYS A 64 12.342 -13.773 5.136 1.00 0.01 C ATOM 961 NZ LYS A 64 12.341 -12.320 5.459 1.00 0.00 N ATOM 0 H LYS A 64 16.480 -15.385 7.029 1.00 0.01 H new ATOM 0 HA LYS A 64 17.204 -13.061 5.466 1.00 0.01 H new ATOM 0 HB2 LYS A 64 14.824 -12.871 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.205 -14.581 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.625 -14.554 7.613 1.00 0.01 H new ATOM 0 HG3 LYS A 64 13.938 -12.967 7.330 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.093 -15.595 6.026 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.145 -14.608 7.120 1.00 0.01 H new ATOM 0 HE2 LYS A 64 12.951 -13.958 4.251 1.00 0.01 H new ATOM 0 HE3 LYS A 64 11.330 -14.104 4.901 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 11.816 -11.802 4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.886 -12.170 6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.320 -11.972 5.495 1.00 0.00 H new ATOM 975 N ALA A 65 16.242 -12.610 8.566 1.00 0.00 N ATOM 976 CA ALA A 65 16.141 -11.546 9.602 1.00 0.01 C ATOM 977 C ALA A 65 17.448 -10.755 9.617 1.00 0.01 C ATOM 978 O ALA A 65 17.455 -9.541 9.593 1.00 0.01 O ATOM 979 CB ALA A 65 15.918 -12.179 10.974 1.00 0.01 C ATOM 0 H ALA A 65 16.142 -13.567 8.906 1.00 0.00 H new ATOM 0 HA ALA A 65 15.303 -10.887 9.373 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.845 -11.396 11.729 1.00 0.01 H new ATOM 0 HB2 ALA A 65 14.995 -12.758 10.962 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.755 -12.835 11.212 1.00 0.01 H new ATOM 985 N LYS A 66 18.556 -11.444 9.657 1.00 0.01 N ATOM 986 CA LYS A 66 19.871 -10.746 9.672 1.00 0.00 C ATOM 987 C LYS A 66 20.012 -9.896 8.407 1.00 0.01 C ATOM 988 O LYS A 66 20.438 -8.760 8.455 1.00 0.01 O ATOM 989 CB LYS A 66 20.998 -11.782 9.717 1.00 0.01 C ATOM 990 CG LYS A 66 21.012 -12.468 11.090 1.00 0.01 C ATOM 991 CD LYS A 66 21.993 -13.651 11.082 1.00 0.01 C ATOM 992 CE LYS A 66 23.432 -13.151 11.249 1.00 0.00 C ATOM 993 NZ LYS A 66 23.543 -12.363 12.509 1.00 0.00 N ATOM 0 H LYS A 66 18.606 -12.463 9.680 1.00 0.01 H new ATOM 0 HA LYS A 66 19.931 -10.104 10.551 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.856 -12.523 8.930 1.00 0.01 H new ATOM 0 HB3 LYS A 66 21.957 -11.299 9.531 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.301 -11.752 11.860 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.011 -12.818 11.340 1.00 0.01 H new ATOM 0 HD2 LYS A 66 21.746 -14.343 11.887 1.00 0.01 H new ATOM 0 HD3 LYS A 66 21.899 -14.204 10.147 1.00 0.01 H new ATOM 0 HE2 LYS A 66 24.121 -13.995 11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 66 23.715 -12.534 10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 24.501 -12.467 12.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.358 -11.359 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.847 -12.712 13.199 1.00 0.00 H new ATOM 1007 N LYS A 67 19.657 -10.438 7.273 1.00 0.00 N ATOM 1008 CA LYS A 67 19.770 -9.659 6.009 1.00 0.00 C ATOM 1009 C LYS A 67 18.813 -8.466 6.053 1.00 0.01 C ATOM 1010 O LYS A 67 19.177 -7.354 5.726 1.00 0.01 O ATOM 1011 CB LYS A 67 19.400 -10.552 4.825 1.00 0.00 C ATOM 1012 CG LYS A 67 20.483 -11.610 4.609 1.00 0.01 C ATOM 1013 CD LYS A 67 20.095 -12.494 3.423 1.00 0.00 C ATOM 1014 CE LYS A 67 21.173 -13.555 3.199 1.00 0.00 C ATOM 1015 NZ LYS A 67 20.694 -14.542 2.192 1.00 0.01 N ATOM 0 H LYS A 67 19.294 -11.386 7.169 1.00 0.00 H new ATOM 0 HA LYS A 67 20.794 -9.303 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.440 -11.035 5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.286 -9.948 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.444 -11.131 4.421 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.599 -12.217 5.507 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.134 -12.972 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.977 -11.886 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.095 -13.086 2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.403 -14.059 4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.426 -15.264 2.038 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 19.825 -14.997 2.538 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 20.495 -14.054 1.295 1.00 0.01 H new ATOM 1029 N ILE A 68 17.586 -8.691 6.444 1.00 0.01 N ATOM 1030 CA ILE A 68 16.606 -7.569 6.498 1.00 0.00 C ATOM 1031 C ILE A 68 16.968 -6.609 7.631 1.00 0.01 C ATOM 1032 O ILE A 68 16.957 -5.407 7.460 1.00 0.00 O ATOM 1033 CB ILE A 68 15.198 -8.127 6.720 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.791 -8.939 5.490 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.212 -6.972 6.924 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.494 -9.696 5.775 1.00 0.00 C ATOM 0 H ILE A 68 17.222 -9.601 6.727 1.00 0.01 H new ATOM 0 HA ILE A 68 16.634 -7.026 5.554 1.00 0.00 H new ATOM 0 HB ILE A 68 15.187 -8.764 7.605 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.656 -8.277 4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.583 -9.641 5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.210 -7.372 7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.511 -6.388 7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.212 -6.333 6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.209 -10.273 4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.644 -10.370 6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.703 -8.985 6.015 1.00 0.00 H new ATOM 1048 N TYR A 69 17.288 -7.121 8.788 1.00 0.00 N ATOM 1049 CA TYR A 69 17.648 -6.213 9.910 1.00 0.01 C ATOM 1050 C TYR A 69 18.875 -5.387 9.519 1.00 0.00 C ATOM 1051 O TYR A 69 18.899 -4.180 9.650 1.00 0.01 O ATOM 1052 CB TYR A 69 17.976 -7.025 11.161 1.00 0.01 C ATOM 1053 CG TYR A 69 18.401 -6.080 12.265 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.746 -5.703 12.382 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.455 -5.580 13.171 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.142 -4.827 13.400 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.854 -4.706 14.189 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.196 -4.330 14.303 1.00 0.01 C ATOM 1059 OH TYR A 69 19.587 -3.464 15.306 1.00 0.01 O ATOM 0 H TYR A 69 17.315 -8.118 9.002 1.00 0.00 H new ATOM 0 HA TYR A 69 16.803 -5.556 10.118 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.106 -7.602 11.474 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.772 -7.738 10.949 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.477 -6.088 11.687 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.418 -5.869 13.083 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.178 -4.535 13.488 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.125 -4.322 14.887 1.00 0.01 H new ATOM 0 HH TYR A 69 18.807 -3.213 15.844 1.00 0.01 H new ATOM 1069 N ASN A 70 19.894 -6.040 9.044 1.00 0.01 N ATOM 1070 CA ASN A 70 21.133 -5.318 8.649 1.00 0.00 C ATOM 1071 C ASN A 70 20.823 -4.308 7.541 1.00 0.00 C ATOM 1072 O ASN A 70 21.389 -3.235 7.490 1.00 0.01 O ATOM 1073 CB ASN A 70 22.169 -6.324 8.143 1.00 0.00 C ATOM 1074 CG ASN A 70 22.677 -7.163 9.314 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.697 -6.709 10.441 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.092 -8.380 9.095 1.00 0.01 N ATOM 0 H ASN A 70 19.923 -7.051 8.911 1.00 0.01 H new ATOM 0 HA ASN A 70 21.527 -4.787 9.516 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.725 -6.969 7.385 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.999 -5.800 7.670 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.433 -8.950 9.869 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.076 -8.762 8.149 1.00 0.01 H new ATOM 1083 N GLU A 71 19.961 -4.659 6.632 1.00 0.00 N ATOM 1084 CA GLU A 71 19.644 -3.738 5.502 1.00 0.00 C ATOM 1085 C GLU A 71 18.649 -2.639 5.909 1.00 0.00 C ATOM 1086 O GLU A 71 18.958 -1.465 5.863 1.00 0.00 O ATOM 1087 CB GLU A 71 19.050 -4.560 4.350 1.00 0.00 C ATOM 1088 CG GLU A 71 18.725 -3.646 3.161 1.00 0.00 C ATOM 1089 CD GLU A 71 18.198 -4.491 2.000 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.286 -5.705 2.091 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.716 -3.912 1.042 1.00 0.00 O ATOM 0 H GLU A 71 19.459 -5.547 6.620 1.00 0.00 H new ATOM 0 HA GLU A 71 20.567 -3.246 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.755 -5.332 4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.146 -5.069 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.982 -2.903 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.617 -3.101 2.853 1.00 0.00 H new ATOM 1098 N PHE A 72 17.437 -3.003 6.229 1.00 0.00 N ATOM 1099 CA PHE A 72 16.396 -1.973 6.546 1.00 0.00 C ATOM 1100 C PHE A 72 16.434 -1.459 7.997 1.00 0.00 C ATOM 1101 O PHE A 72 16.007 -0.352 8.256 1.00 0.00 O ATOM 1102 CB PHE A 72 15.020 -2.585 6.280 1.00 0.00 C ATOM 1103 CG PHE A 72 14.854 -2.821 4.798 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.274 -4.032 4.231 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.289 -1.829 3.986 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.126 -4.252 2.857 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.142 -2.050 2.612 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.559 -3.261 2.046 1.00 0.00 C ATOM 0 H PHE A 72 17.118 -3.970 6.286 1.00 0.00 H new ATOM 0 HA PHE A 72 16.602 -1.112 5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.917 -3.525 6.823 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.237 -1.919 6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.712 -4.796 4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.967 -0.894 4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.449 -5.186 2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.706 -1.285 1.987 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.444 -3.431 0.986 1.00 0.00 H new ATOM 1118 N ILE A 73 16.886 -2.233 8.955 1.00 0.00 N ATOM 1119 CA ILE A 73 16.864 -1.731 10.378 1.00 0.00 C ATOM 1120 C ILE A 73 18.215 -1.141 10.793 1.00 0.00 C ATOM 1121 O ILE A 73 18.310 -0.462 11.796 1.00 0.01 O ATOM 1122 CB ILE A 73 16.522 -2.889 11.316 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.175 -3.511 10.899 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.446 -2.382 12.761 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.034 -2.479 10.964 1.00 0.00 C ATOM 0 H ILE A 73 17.263 -3.172 8.825 1.00 0.00 H new ATOM 0 HA ILE A 73 16.113 -0.944 10.443 1.00 0.00 H new ATOM 0 HB ILE A 73 17.300 -3.650 11.251 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.253 -3.906 9.886 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.944 -4.353 11.552 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.202 -3.211 13.425 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.408 -1.958 13.049 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.674 -1.616 12.838 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.099 -2.951 10.664 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.940 -2.104 11.983 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.254 -1.650 10.291 1.00 0.00 H new ATOM 1137 N SER A 74 19.260 -1.377 10.054 1.00 0.01 N ATOM 1138 CA SER A 74 20.574 -0.800 10.458 1.00 0.00 C ATOM 1139 C SER A 74 20.463 0.726 10.497 1.00 0.00 C ATOM 1140 O SER A 74 20.084 1.352 9.526 1.00 0.01 O ATOM 1141 CB SER A 74 21.654 -1.207 9.454 1.00 0.00 C ATOM 1142 OG SER A 74 22.021 -2.558 9.685 1.00 0.01 O ATOM 0 H SER A 74 19.265 -1.935 9.200 1.00 0.01 H new ATOM 0 HA SER A 74 20.845 -1.176 11.444 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.284 -1.087 8.436 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.524 -0.559 9.555 1.00 0.00 H new ATOM 0 HG SER A 74 22.323 -2.963 8.845 1.00 0.01 H new ATOM 1148 N VAL A 75 20.799 1.334 11.601 1.00 0.01 N ATOM 1149 CA VAL A 75 20.719 2.818 11.677 1.00 0.01 C ATOM 1150 C VAL A 75 21.650 3.408 10.617 1.00 0.00 C ATOM 1151 O VAL A 75 21.577 4.575 10.289 1.00 0.00 O ATOM 1152 CB VAL A 75 21.138 3.299 13.070 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.221 2.673 14.123 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.586 2.893 13.345 1.00 0.00 C ATOM 0 H VAL A 75 21.124 0.870 12.449 1.00 0.01 H new ATOM 0 HA VAL A 75 19.695 3.144 11.496 1.00 0.01 H new ATOM 0 HB VAL A 75 21.056 4.385 13.115 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.519 3.015 15.114 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.190 2.971 13.931 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.300 1.587 14.075 1.00 0.01 H new ATOM 0 HG21 VAL A 75 22.878 3.238 14.337 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.675 1.808 13.297 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.239 3.344 12.597 1.00 0.00 H new ATOM 1164 N GLN A 76 22.525 2.597 10.076 1.00 0.01 N ATOM 1165 CA GLN A 76 23.467 3.089 9.028 1.00 0.01 C ATOM 1166 C GLN A 76 22.907 2.740 7.650 1.00 0.01 C ATOM 1167 O GLN A 76 23.492 3.055 6.632 1.00 0.01 O ATOM 1168 CB GLN A 76 24.826 2.401 9.199 1.00 0.00 C ATOM 1169 CG GLN A 76 25.491 2.878 10.491 1.00 0.01 C ATOM 1170 CD GLN A 76 26.846 2.184 10.654 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.039 1.081 10.181 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.800 2.791 11.306 1.00 0.01 N ATOM 0 H GLN A 76 22.626 1.611 10.317 1.00 0.01 H new ATOM 0 HA GLN A 76 23.586 4.168 9.123 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.695 1.319 9.225 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.467 2.624 8.346 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.625 3.959 10.466 1.00 0.01 H new ATOM 0 HG3 GLN A 76 24.851 2.656 11.345 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.638 3.717 11.703 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.708 2.340 11.419 1.00 0.01 H new ATOM 1181 N ALA A 77 21.778 2.088 7.609 1.00 0.01 N ATOM 1182 CA ALA A 77 21.179 1.716 6.297 1.00 0.00 C ATOM 1183 C ALA A 77 21.108 2.951 5.399 1.00 0.01 C ATOM 1184 O ALA A 77 20.821 4.043 5.849 1.00 0.00 O ATOM 1185 CB ALA A 77 19.774 1.153 6.516 1.00 0.00 C ATOM 0 H ALA A 77 21.244 1.797 8.428 1.00 0.01 H new ATOM 0 HA ALA A 77 21.798 0.958 5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.337 0.881 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.831 0.269 7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.151 1.907 6.998 1.00 0.00 H new ATOM 1191 N THR A 78 21.365 2.788 4.129 1.00 0.01 N ATOM 1192 CA THR A 78 21.310 3.953 3.200 1.00 0.01 C ATOM 1193 C THR A 78 19.854 4.386 3.035 1.00 0.01 C ATOM 1194 O THR A 78 19.565 5.484 2.602 1.00 0.00 O ATOM 1195 CB THR A 78 21.886 3.552 1.840 1.00 0.00 C ATOM 1196 OG1 THR A 78 21.058 2.560 1.249 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.295 2.995 2.032 1.00 0.01 C ATOM 0 H THR A 78 21.611 1.898 3.695 1.00 0.01 H new ATOM 0 HA THR A 78 21.896 4.778 3.606 1.00 0.01 H new ATOM 0 HB THR A 78 21.926 4.425 1.188 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.425 2.304 0.377 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.708 2.708 1.065 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.929 3.757 2.486 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.255 2.121 2.683 1.00 0.01 H new ATOM 1205 N LYS A 79 18.937 3.524 3.387 1.00 0.00 N ATOM 1206 CA LYS A 79 17.484 3.850 3.272 1.00 0.00 C ATOM 1207 C LYS A 79 16.778 3.431 4.564 1.00 0.00 C ATOM 1208 O LYS A 79 15.998 2.500 4.585 1.00 0.00 O ATOM 1209 CB LYS A 79 16.878 3.094 2.086 1.00 0.00 C ATOM 1210 CG LYS A 79 17.358 1.639 2.097 1.00 0.00 C ATOM 1211 CD LYS A 79 16.750 0.891 0.911 1.00 0.01 C ATOM 1212 CE LYS A 79 17.212 -0.565 0.942 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.830 -1.172 2.247 1.00 0.00 N ATOM 0 H LYS A 79 19.136 2.594 3.755 1.00 0.00 H new ATOM 0 HA LYS A 79 17.358 4.921 3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.790 3.128 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.166 3.575 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.446 1.604 2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.069 1.157 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.662 0.940 0.954 1.00 0.01 H new ATOM 0 HD3 LYS A 79 17.053 1.361 -0.024 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.758 -1.121 0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.292 -0.619 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.825 -2.208 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.516 -0.890 2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.882 -0.843 2.519 1.00 0.00 H new ATOM 1227 N GLU A 80 17.047 4.109 5.645 1.00 0.00 N ATOM 1228 CA GLU A 80 16.393 3.739 6.928 1.00 0.00 C ATOM 1229 C GLU A 80 14.879 3.852 6.769 1.00 0.00 C ATOM 1230 O GLU A 80 14.378 4.764 6.144 1.00 0.00 O ATOM 1231 CB GLU A 80 16.862 4.686 8.031 1.00 0.00 C ATOM 1232 CG GLU A 80 18.329 4.402 8.353 1.00 0.00 C ATOM 1233 CD GLU A 80 18.802 5.352 9.454 1.00 0.01 C ATOM 1234 OE1 GLU A 80 18.599 5.032 10.614 1.00 0.00 O ATOM 1235 OE2 GLU A 80 19.361 6.383 9.120 1.00 0.01 O ATOM 0 H GLU A 80 17.689 4.900 5.694 1.00 0.00 H new ATOM 0 HA GLU A 80 16.659 2.716 7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.742 5.721 7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.250 4.554 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.448 3.367 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.940 4.531 7.460 1.00 0.00 H new ATOM 1242 N VAL A 81 14.148 2.927 7.330 1.00 0.00 N ATOM 1243 CA VAL A 81 12.661 2.970 7.212 1.00 0.00 C ATOM 1244 C VAL A 81 12.084 3.749 8.389 1.00 0.00 C ATOM 1245 O VAL A 81 12.679 3.832 9.445 1.00 0.00 O ATOM 1246 CB VAL A 81 12.111 1.544 7.235 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.385 0.865 5.892 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.798 0.758 8.352 1.00 0.00 C ATOM 0 H VAL A 81 14.517 2.142 7.866 1.00 0.00 H new ATOM 0 HA VAL A 81 12.382 3.457 6.277 1.00 0.00 H new ATOM 0 HB VAL A 81 11.036 1.571 7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.992 -0.151 5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.899 1.427 5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.460 0.835 5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.409 -0.260 8.373 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.873 0.732 8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.603 1.241 9.310 1.00 0.00 H new ATOM 1258 N ASN A 82 10.926 4.321 8.219 1.00 0.00 N ATOM 1259 CA ASN A 82 10.316 5.093 9.331 1.00 0.00 C ATOM 1260 C ASN A 82 9.755 4.121 10.370 1.00 0.00 C ATOM 1261 O ASN A 82 8.746 3.476 10.160 1.00 0.00 O ATOM 1262 CB ASN A 82 9.197 5.978 8.777 1.00 0.00 C ATOM 1263 CG ASN A 82 8.409 5.203 7.719 1.00 0.00 C ATOM 1264 OD1 ASN A 82 7.927 4.118 7.977 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.260 5.717 6.529 1.00 0.00 N ATOM 0 H ASN A 82 10.378 4.287 7.359 1.00 0.00 H new ATOM 0 HA ASN A 82 11.068 5.725 9.803 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.533 6.291 9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.618 6.884 8.341 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.739 5.208 5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.665 6.628 6.313 1.00 0.00 H new ATOM 1272 N LEU A 83 10.411 4.018 11.495 1.00 0.00 N ATOM 1273 CA LEU A 83 9.945 3.099 12.575 1.00 0.00 C ATOM 1274 C LEU A 83 10.252 3.730 13.926 1.00 0.00 C ATOM 1275 O LEU A 83 11.042 4.647 14.029 1.00 0.00 O ATOM 1276 CB LEU A 83 10.681 1.757 12.485 1.00 0.01 C ATOM 1277 CG LEU A 83 10.225 0.970 11.249 1.00 0.00 C ATOM 1278 CD1 LEU A 83 11.087 -0.291 11.115 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.740 0.571 11.389 1.00 0.00 C ATOM 0 H LEU A 83 11.261 4.538 11.714 1.00 0.00 H new ATOM 0 HA LEU A 83 8.874 2.932 12.462 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.756 1.929 12.437 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.492 1.172 13.385 1.00 0.01 H new ATOM 0 HG LEU A 83 10.337 1.593 10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.770 -0.857 10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.133 -0.006 11.004 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.971 -0.907 12.007 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.428 0.013 10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.612 -0.051 12.275 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.130 1.469 11.485 1.00 0.00 H new ATOM 1291 N ASP A 84 9.640 3.245 14.965 1.00 0.01 N ATOM 1292 CA ASP A 84 9.910 3.820 16.306 1.00 0.00 C ATOM 1293 C ASP A 84 11.330 3.436 16.723 1.00 0.00 C ATOM 1294 O ASP A 84 11.844 2.407 16.332 1.00 0.00 O ATOM 1295 CB ASP A 84 8.905 3.258 17.315 1.00 0.00 C ATOM 1296 CG ASP A 84 9.020 4.029 18.631 1.00 0.01 C ATOM 1297 OD1 ASP A 84 9.978 4.769 18.778 1.00 0.01 O ATOM 1298 OD2 ASP A 84 8.147 3.868 19.468 1.00 0.00 O ATOM 0 H ASP A 84 8.967 2.479 14.944 1.00 0.01 H new ATOM 0 HA ASP A 84 9.813 4.905 16.276 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.892 3.340 16.920 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.097 2.198 17.484 1.00 0.00 H new ATOM 1303 N SER A 85 11.973 4.253 17.507 1.00 0.00 N ATOM 1304 CA SER A 85 13.359 3.926 17.935 1.00 0.01 C ATOM 1305 C SER A 85 13.322 2.689 18.827 1.00 0.01 C ATOM 1306 O SER A 85 14.296 1.976 18.961 1.00 0.00 O ATOM 1307 CB SER A 85 13.950 5.097 18.716 1.00 0.01 C ATOM 1308 OG SER A 85 15.250 4.749 19.174 1.00 0.00 O ATOM 0 H SER A 85 11.600 5.131 17.869 1.00 0.00 H new ATOM 0 HA SER A 85 13.977 3.735 17.058 1.00 0.01 H new ATOM 0 HB2 SER A 85 14.000 5.983 18.083 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.309 5.346 19.562 1.00 0.01 H new ATOM 0 HG SER A 85 15.632 5.500 19.675 1.00 0.00 H new ATOM 1314 N CYS A 86 12.200 2.425 19.436 1.00 0.01 N ATOM 1315 CA CYS A 86 12.094 1.232 20.318 1.00 0.01 C ATOM 1316 C CYS A 86 11.777 0.000 19.469 1.00 0.00 C ATOM 1317 O CYS A 86 12.281 -1.078 19.714 1.00 0.01 O ATOM 1318 CB CYS A 86 10.976 1.450 21.339 1.00 0.01 C ATOM 1319 SG CYS A 86 11.083 0.183 22.627 1.00 0.01 S ATOM 0 H CYS A 86 11.351 2.985 19.360 1.00 0.01 H new ATOM 0 HA CYS A 86 13.038 1.081 20.841 1.00 0.01 H new ATOM 0 HB2 CYS A 86 11.061 2.442 21.782 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.005 1.403 20.847 1.00 0.01 H new ATOM 0 HG CYS A 86 10.135 0.368 23.497 1.00 0.01 H new ATOM 1325 N THR A 87 10.945 0.146 18.474 1.00 0.00 N ATOM 1326 CA THR A 87 10.606 -1.027 17.622 1.00 0.00 C ATOM 1327 C THR A 87 11.882 -1.567 16.974 1.00 0.00 C ATOM 1328 O THR A 87 12.099 -2.760 16.919 1.00 0.01 O ATOM 1329 CB THR A 87 9.615 -0.612 16.532 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.436 -0.104 17.139 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.258 -1.832 15.681 1.00 0.00 C ATOM 0 H THR A 87 10.488 1.021 18.216 1.00 0.00 H new ATOM 0 HA THR A 87 10.152 -1.801 18.240 1.00 0.00 H new ATOM 0 HB THR A 87 10.064 0.156 15.902 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.801 -0.836 17.284 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.552 -1.539 14.904 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.161 -2.231 15.219 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.806 -2.596 16.313 1.00 0.00 H new ATOM 1339 N ARG A 88 12.739 -0.701 16.492 1.00 0.01 N ATOM 1340 CA ARG A 88 13.998 -1.194 15.867 1.00 0.00 C ATOM 1341 C ARG A 88 14.783 -1.981 16.914 1.00 0.00 C ATOM 1342 O ARG A 88 15.202 -3.099 16.685 1.00 0.01 O ATOM 1343 CB ARG A 88 14.845 -0.007 15.391 1.00 0.00 C ATOM 1344 CG ARG A 88 14.173 0.664 14.192 1.00 0.00 C ATOM 1345 CD ARG A 88 15.086 1.767 13.649 1.00 0.00 C ATOM 1346 NE ARG A 88 14.358 2.543 12.605 1.00 0.01 N ATOM 1347 CZ ARG A 88 14.835 3.687 12.191 1.00 0.00 C ATOM 1348 NH1 ARG A 88 15.968 4.129 12.660 1.00 0.00 N ATOM 1349 NH2 ARG A 88 14.184 4.382 11.300 1.00 0.01 N ATOM 0 H ARG A 88 12.621 0.312 16.505 1.00 0.01 H new ATOM 0 HA ARG A 88 13.760 -1.828 15.012 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.966 0.712 16.201 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.843 -0.348 15.116 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.972 -0.073 13.414 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.212 1.085 14.488 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.397 2.428 14.458 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.992 1.330 13.228 1.00 0.00 H new ATOM 0 HE ARG A 88 13.488 2.181 12.214 1.00 0.01 H new ATOM 0 HH11 ARG A 88 16.482 3.582 13.350 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.340 5.022 12.337 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.302 4.033 10.926 1.00 0.01 H new ATOM 0 HH22 ARG A 88 14.557 5.275 10.977 1.00 0.01 H new ATOM 1363 N GLU A 89 14.965 -1.412 18.073 1.00 0.01 N ATOM 1364 CA GLU A 89 15.702 -2.129 19.146 1.00 0.01 C ATOM 1365 C GLU A 89 14.952 -3.417 19.463 1.00 0.01 C ATOM 1366 O GLU A 89 15.536 -4.460 19.680 1.00 0.00 O ATOM 1367 CB GLU A 89 15.768 -1.248 20.395 1.00 0.01 C ATOM 1368 CG GLU A 89 16.702 -0.066 20.132 1.00 0.01 C ATOM 1369 CD GLU A 89 16.772 0.821 21.378 1.00 0.01 C ATOM 1370 OE1 GLU A 89 16.021 0.568 22.305 1.00 0.01 O ATOM 1371 OE2 GLU A 89 17.575 1.741 21.380 1.00 0.01 O ATOM 0 H GLU A 89 14.634 -0.480 18.322 1.00 0.01 H new ATOM 0 HA GLU A 89 16.717 -2.358 18.821 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.772 -0.889 20.653 1.00 0.01 H new ATOM 0 HB3 GLU A 89 16.128 -1.828 21.245 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.698 -0.427 19.874 1.00 0.01 H new ATOM 0 HG3 GLU A 89 16.342 0.513 19.281 1.00 0.01 H new ATOM 1378 N GLU A 90 13.650 -3.351 19.483 1.00 0.00 N ATOM 1379 CA GLU A 90 12.843 -4.565 19.771 1.00 0.01 C ATOM 1380 C GLU A 90 13.148 -5.628 18.714 1.00 0.01 C ATOM 1381 O GLU A 90 13.250 -6.800 19.015 1.00 0.01 O ATOM 1382 CB GLU A 90 11.354 -4.219 19.751 1.00 0.01 C ATOM 1383 CG GLU A 90 10.547 -5.404 20.288 1.00 0.00 C ATOM 1384 CD GLU A 90 9.092 -4.984 20.501 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.817 -3.800 20.401 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.277 -5.855 20.762 1.00 0.01 O ATOM 0 H GLU A 90 13.109 -2.503 19.311 1.00 0.00 H new ATOM 0 HA GLU A 90 13.098 -4.948 20.759 1.00 0.01 H new ATOM 0 HB2 GLU A 90 11.167 -3.333 20.358 1.00 0.01 H new ATOM 0 HB3 GLU A 90 11.039 -3.981 18.735 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.596 -6.237 19.587 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.976 -5.752 21.227 1.00 0.00 H new ATOM 1393 N THR A 91 13.291 -5.232 17.474 1.00 0.01 N ATOM 1394 CA THR A 91 13.583 -6.234 16.414 1.00 0.01 C ATOM 1395 C THR A 91 14.897 -6.935 16.754 1.00 0.01 C ATOM 1396 O THR A 91 15.032 -8.127 16.589 1.00 0.01 O ATOM 1397 CB THR A 91 13.726 -5.534 15.056 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.676 -4.592 14.898 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.643 -6.571 13.935 1.00 0.01 C ATOM 0 H THR A 91 13.218 -4.266 17.155 1.00 0.01 H new ATOM 0 HA THR A 91 12.768 -6.956 16.360 1.00 0.01 H new ATOM 0 HB THR A 91 14.688 -5.024 15.012 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.767 -4.143 14.032 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.745 -6.073 12.971 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.445 -7.300 14.053 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.680 -7.080 13.981 1.00 0.01 H new ATOM 1407 N SER A 92 15.867 -6.202 17.238 1.00 0.01 N ATOM 1408 CA SER A 92 17.165 -6.841 17.589 1.00 0.01 C ATOM 1409 C SER A 92 16.913 -7.906 18.651 1.00 0.01 C ATOM 1410 O SER A 92 17.476 -8.981 18.614 1.00 0.00 O ATOM 1411 CB SER A 92 18.138 -5.790 18.130 1.00 0.01 C ATOM 1412 OG SER A 92 17.702 -5.357 19.412 1.00 0.01 O ATOM 0 H SER A 92 15.815 -5.197 17.403 1.00 0.01 H new ATOM 0 HA SER A 92 17.603 -7.296 16.701 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.142 -6.209 18.198 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.192 -4.942 17.447 1.00 0.01 H new ATOM 0 HG SER A 92 16.787 -5.013 19.347 1.00 0.01 H new ATOM 1418 N ARG A 93 16.054 -7.620 19.588 1.00 0.01 N ATOM 1419 CA ARG A 93 15.748 -8.625 20.641 1.00 0.01 C ATOM 1420 C ARG A 93 15.067 -9.820 19.973 1.00 0.01 C ATOM 1421 O ARG A 93 15.327 -10.961 20.294 1.00 0.01 O ATOM 1422 CB ARG A 93 14.796 -8.005 21.668 1.00 0.00 C ATOM 1423 CG ARG A 93 15.446 -6.772 22.318 1.00 0.01 C ATOM 1424 CD ARG A 93 16.489 -7.201 23.360 1.00 0.01 C ATOM 1425 NE ARG A 93 16.868 -6.025 24.214 1.00 0.00 N ATOM 1426 CZ ARG A 93 17.327 -4.915 23.698 1.00 0.01 C ATOM 1427 NH1 ARG A 93 17.646 -4.853 22.435 1.00 0.00 N ATOM 1428 NH2 ARG A 93 17.519 -3.877 24.465 1.00 0.01 N ATOM 0 H ARG A 93 15.552 -6.736 19.670 1.00 0.01 H new ATOM 0 HA ARG A 93 16.662 -8.942 21.144 1.00 0.01 H new ATOM 0 HB2 ARG A 93 13.862 -7.720 21.183 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.547 -8.740 22.434 1.00 0.00 H new ATOM 0 HG2 ARG A 93 15.919 -6.157 21.553 1.00 0.01 H new ATOM 0 HG3 ARG A 93 14.681 -6.158 22.792 1.00 0.01 H new ATOM 0 HD2 ARG A 93 16.087 -8.000 23.983 1.00 0.01 H new ATOM 0 HD3 ARG A 93 17.372 -7.600 22.861 1.00 0.01 H new ATOM 0 HE ARG A 93 16.764 -6.094 25.226 1.00 0.00 H new ATOM 0 HH11 ARG A 93 17.538 -5.675 21.841 1.00 0.00 H new ATOM 0 HH12 ARG A 93 18.003 -3.982 22.041 1.00 0.00 H new ATOM 0 HH21 ARG A 93 17.311 -3.934 25.462 1.00 0.01 H new ATOM 0 HH22 ARG A 93 17.877 -3.008 24.068 1.00 0.01 H new ATOM 1442 N ASN A 94 14.201 -9.553 19.035 1.00 0.01 N ATOM 1443 CA ASN A 94 13.493 -10.653 18.320 1.00 0.01 C ATOM 1444 C ASN A 94 14.505 -11.477 17.520 1.00 0.01 C ATOM 1445 O ASN A 94 14.377 -12.673 17.385 1.00 0.01 O ATOM 1446 CB ASN A 94 12.456 -10.059 17.365 1.00 0.01 C ATOM 1447 CG ASN A 94 11.378 -9.333 18.170 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.141 -8.157 17.967 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.711 -9.985 19.081 1.00 0.01 N ATOM 0 H ASN A 94 13.951 -8.612 18.730 1.00 0.01 H new ATOM 0 HA ASN A 94 12.994 -11.294 19.047 1.00 0.01 H new ATOM 0 HB2 ASN A 94 12.937 -9.367 16.674 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.006 -10.849 16.763 1.00 0.01 H new ATOM 0 HD21 ASN A 94 9.990 -9.509 19.624 1.00 0.01 H new ATOM 0 HD22 ASN A 94 10.910 -10.971 19.251 1.00 0.01 H new ATOM 1456 N MET A 95 15.504 -10.838 16.981 1.00 0.01 N ATOM 1457 CA MET A 95 16.522 -11.579 16.181 1.00 0.01 C ATOM 1458 C MET A 95 17.196 -12.637 17.055 1.00 0.01 C ATOM 1459 O MET A 95 17.510 -13.715 16.600 1.00 0.01 O ATOM 1460 CB MET A 95 17.561 -10.594 15.640 1.00 0.01 C ATOM 1461 CG MET A 95 16.905 -9.727 14.559 1.00 0.01 C ATOM 1462 SD MET A 95 17.927 -8.271 14.243 1.00 0.01 S ATOM 1463 CE MET A 95 19.246 -9.105 13.336 1.00 0.01 C ATOM 0 H MET A 95 15.661 -9.833 17.059 1.00 0.01 H new ATOM 0 HA MET A 95 16.036 -12.077 15.342 1.00 0.01 H new ATOM 0 HB2 MET A 95 17.942 -9.967 16.446 1.00 0.01 H new ATOM 0 HB3 MET A 95 18.413 -11.134 15.226 1.00 0.01 H new ATOM 0 HG2 MET A 95 16.782 -10.303 13.642 1.00 0.01 H new ATOM 0 HG3 MET A 95 15.909 -9.422 14.879 1.00 0.01 H new ATOM 0 HE1 MET A 95 19.945 -8.364 12.948 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.773 -9.786 14.004 1.00 0.01 H new ATOM 0 HE3 MET A 95 18.818 -9.669 12.507 1.00 0.01 H new ATOM 1473 N LEU A 96 17.410 -12.347 18.309 1.00 0.01 N ATOM 1474 CA LEU A 96 18.046 -13.359 19.201 1.00 0.01 C ATOM 1475 C LEU A 96 17.084 -14.541 19.324 1.00 0.01 C ATOM 1476 O LEU A 96 17.476 -15.663 19.574 1.00 0.01 O ATOM 1477 CB LEU A 96 18.291 -12.748 20.581 1.00 0.01 C ATOM 1478 CG LEU A 96 19.212 -11.528 20.457 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.373 -10.879 21.832 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.591 -11.951 19.922 1.00 0.01 C ATOM 0 H LEU A 96 17.174 -11.459 18.753 1.00 0.01 H new ATOM 0 HA LEU A 96 19.002 -13.685 18.790 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.343 -12.454 21.032 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.742 -13.489 21.241 1.00 0.01 H new ATOM 0 HG LEU A 96 18.770 -10.816 19.760 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.027 -10.011 21.750 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.397 -10.565 22.202 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.810 -11.598 22.525 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.234 -11.075 19.839 1.00 0.01 H new ATOM 0 HD22 LEU A 96 21.042 -12.669 20.607 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.475 -12.410 18.940 1.00 0.01 H new ATOM 1492 N GLU A 97 15.821 -14.278 19.127 1.00 0.01 N ATOM 1493 CA GLU A 97 14.781 -15.346 19.199 1.00 0.01 C ATOM 1494 C GLU A 97 13.827 -15.124 18.021 1.00 0.01 C ATOM 1495 O GLU A 97 12.770 -14.552 18.182 1.00 0.01 O ATOM 1496 CB GLU A 97 13.999 -15.203 20.505 1.00 0.01 C ATOM 1497 CG GLU A 97 14.968 -15.212 21.689 1.00 0.01 C ATOM 1498 CD GLU A 97 14.187 -14.995 22.986 1.00 0.01 C ATOM 1499 OE1 GLU A 97 13.187 -15.668 23.170 1.00 0.01 O ATOM 1500 OE2 GLU A 97 14.602 -14.158 23.770 1.00 0.01 O ATOM 0 H GLU A 97 15.458 -13.349 18.915 1.00 0.01 H new ATOM 0 HA GLU A 97 15.235 -16.336 19.161 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.427 -14.275 20.498 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.283 -16.019 20.603 1.00 0.01 H new ATOM 0 HG2 GLU A 97 15.503 -16.161 21.728 1.00 0.01 H new ATOM 0 HG3 GLU A 97 15.716 -14.429 21.567 1.00 0.01 H new ATOM 1507 N PRO A 98 14.214 -15.527 16.829 1.00 0.01 N ATOM 1508 CA PRO A 98 13.363 -15.296 15.627 1.00 0.01 C ATOM 1509 C PRO A 98 11.955 -15.889 15.763 1.00 0.01 C ATOM 1510 O PRO A 98 11.775 -17.089 15.838 1.00 0.01 O ATOM 1511 CB PRO A 98 14.175 -15.977 14.506 1.00 0.00 C ATOM 1512 CG PRO A 98 15.575 -16.300 15.061 1.00 0.01 C ATOM 1513 CD PRO A 98 15.504 -16.237 16.595 1.00 0.01 C ATOM 0 HA PRO A 98 13.170 -14.239 15.446 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.677 -16.888 14.174 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.251 -15.322 13.638 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.895 -17.289 14.735 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.308 -15.587 14.684 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.507 -17.231 17.043 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.349 -15.694 17.018 1.00 0.01 H new ATOM 1521 N THR A 99 10.959 -15.039 15.782 1.00 0.01 N ATOM 1522 CA THR A 99 9.543 -15.502 15.897 1.00 0.01 C ATOM 1523 C THR A 99 8.739 -14.889 14.751 1.00 0.01 C ATOM 1524 O THR A 99 9.218 -14.029 14.038 1.00 0.01 O ATOM 1525 CB THR A 99 8.956 -15.040 17.236 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.146 -13.638 17.376 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.657 -15.771 18.380 1.00 0.00 C ATOM 0 H THR A 99 11.070 -14.027 15.722 1.00 0.01 H new ATOM 0 HA THR A 99 9.501 -16.590 15.847 1.00 0.01 H new ATOM 0 HB THR A 99 7.890 -15.266 17.265 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.275 -13.197 17.463 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.240 -15.442 19.332 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.509 -16.845 18.270 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.724 -15.548 18.355 1.00 0.00 H new ATOM 1535 N ILE A 100 7.529 -15.326 14.561 1.00 0.00 N ATOM 1536 CA ILE A 100 6.701 -14.775 13.452 1.00 0.01 C ATOM 1537 C ILE A 100 6.308 -13.327 13.774 1.00 0.01 C ATOM 1538 O ILE A 100 5.941 -12.565 12.901 1.00 0.01 O ATOM 1539 CB ILE A 100 5.439 -15.639 13.280 1.00 0.00 C ATOM 1540 CG1 ILE A 100 4.723 -15.265 11.971 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.488 -15.407 14.459 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.541 -15.723 10.750 1.00 0.01 C ATOM 0 H ILE A 100 7.074 -16.043 15.126 1.00 0.00 H new ATOM 0 HA ILE A 100 7.274 -14.789 12.525 1.00 0.01 H new ATOM 0 HB ILE A 100 5.731 -16.689 13.247 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.736 -15.726 11.947 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.572 -14.186 11.929 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.596 -16.021 14.333 1.00 0.01 H new ATOM 0 HG22 ILE A 100 4.988 -15.680 15.389 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.203 -14.356 14.495 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.015 -15.448 9.836 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.519 -15.241 10.765 1.00 0.01 H new ATOM 0 HD13 ILE A 100 5.669 -16.805 10.783 1.00 0.01 H new ATOM 1554 N THR A 101 6.370 -12.943 15.022 1.00 0.00 N ATOM 1555 CA THR A 101 5.982 -11.549 15.399 1.00 0.01 C ATOM 1556 C THR A 101 7.221 -10.644 15.426 1.00 0.01 C ATOM 1557 O THR A 101 7.169 -9.521 15.887 1.00 0.01 O ATOM 1558 CB THR A 101 5.338 -11.561 16.787 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.268 -12.065 17.734 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.093 -12.453 16.768 1.00 0.01 C ATOM 0 H THR A 101 6.672 -13.533 15.797 1.00 0.00 H new ATOM 0 HA THR A 101 5.275 -11.166 14.663 1.00 0.01 H new ATOM 0 HB THR A 101 5.051 -10.546 17.063 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.858 -12.072 18.624 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.636 -12.460 17.757 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.379 -12.066 16.041 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.377 -13.468 16.492 1.00 0.01 H new ATOM 1568 N CYS A 102 8.331 -11.126 14.947 1.00 0.00 N ATOM 1569 CA CYS A 102 9.575 -10.301 14.954 1.00 0.00 C ATOM 1570 C CYS A 102 9.386 -9.016 14.134 1.00 0.01 C ATOM 1571 O CYS A 102 9.507 -7.922 14.648 1.00 0.01 O ATOM 1572 CB CYS A 102 10.720 -11.114 14.350 1.00 0.00 C ATOM 1573 SG CYS A 102 12.186 -10.066 14.184 1.00 0.01 S ATOM 0 H CYS A 102 8.434 -12.059 14.549 1.00 0.00 H new ATOM 0 HA CYS A 102 9.804 -10.027 15.984 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.944 -11.972 14.984 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.428 -11.505 13.375 1.00 0.00 H new ATOM 0 HG CYS A 102 12.351 -9.746 12.935 1.00 0.01 H new ATOM 1579 N PHE A 103 9.121 -9.136 12.857 1.00 0.00 N ATOM 1580 CA PHE A 103 8.960 -7.920 12.000 1.00 0.01 C ATOM 1581 C PHE A 103 7.490 -7.497 11.907 1.00 0.01 C ATOM 1582 O PHE A 103 7.172 -6.481 11.322 1.00 0.00 O ATOM 1583 CB PHE A 103 9.487 -8.229 10.597 1.00 0.00 C ATOM 1584 CG PHE A 103 10.992 -8.329 10.640 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.611 -9.557 10.890 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.766 -7.185 10.428 1.00 0.00 C ATOM 1587 CE1 PHE A 103 13.009 -9.640 10.931 1.00 0.01 C ATOM 1588 CE2 PHE A 103 13.162 -7.266 10.466 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.784 -8.494 10.718 1.00 0.00 C ATOM 0 H PHE A 103 9.009 -10.025 12.370 1.00 0.00 H new ATOM 0 HA PHE A 103 9.522 -7.101 12.449 1.00 0.01 H new ATOM 0 HB2 PHE A 103 9.059 -9.163 10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.183 -7.447 9.901 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.012 -10.441 11.051 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.286 -6.237 10.235 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.488 -10.588 11.127 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.759 -6.381 10.301 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.862 -8.557 10.748 1.00 0.00 H new ATOM 1599 N ASP A 104 6.593 -8.247 12.483 1.00 0.01 N ATOM 1600 CA ASP A 104 5.159 -7.844 12.412 1.00 0.01 C ATOM 1601 C ASP A 104 5.010 -6.473 13.067 1.00 0.00 C ATOM 1602 O ASP A 104 4.284 -5.618 12.599 1.00 0.01 O ATOM 1603 CB ASP A 104 4.293 -8.856 13.163 1.00 0.01 C ATOM 1604 CG ASP A 104 4.285 -10.181 12.403 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.846 -10.218 11.320 1.00 0.00 O ATOM 1606 OD2 ASP A 104 3.733 -11.139 12.919 1.00 0.01 O ATOM 0 H ASP A 104 6.785 -9.109 12.993 1.00 0.01 H new ATOM 0 HA ASP A 104 4.839 -7.807 11.371 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.680 -9.005 14.171 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.276 -8.476 13.265 1.00 0.01 H new ATOM 1611 N GLU A 105 5.703 -6.261 14.153 1.00 0.00 N ATOM 1612 CA GLU A 105 5.624 -4.954 14.862 1.00 0.00 C ATOM 1613 C GLU A 105 6.118 -3.830 13.947 1.00 0.00 C ATOM 1614 O GLU A 105 5.560 -2.753 13.927 1.00 0.01 O ATOM 1615 CB GLU A 105 6.501 -5.009 16.113 1.00 0.00 C ATOM 1616 CG GLU A 105 5.867 -5.944 17.143 1.00 0.00 C ATOM 1617 CD GLU A 105 6.846 -6.173 18.294 1.00 0.01 C ATOM 1618 OE1 GLU A 105 7.932 -5.624 18.239 1.00 0.01 O ATOM 1619 OE2 GLU A 105 6.494 -6.899 19.210 1.00 0.00 O ATOM 0 H GLU A 105 6.326 -6.945 14.582 1.00 0.00 H new ATOM 0 HA GLU A 105 4.589 -4.758 15.141 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.500 -5.360 15.854 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.614 -4.010 16.534 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.940 -5.512 17.520 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.609 -6.895 16.677 1.00 0.00 H new ATOM 1626 N ALA A 106 7.159 -4.059 13.193 1.00 0.00 N ATOM 1627 CA ALA A 106 7.667 -2.979 12.297 1.00 0.00 C ATOM 1628 C ALA A 106 6.633 -2.712 11.206 1.00 0.00 C ATOM 1629 O ALA A 106 6.286 -1.581 10.935 1.00 0.00 O ATOM 1630 CB ALA A 106 8.982 -3.419 11.653 1.00 0.00 C ATOM 0 H ALA A 106 7.676 -4.938 13.158 1.00 0.00 H new ATOM 0 HA ALA A 106 7.838 -2.072 12.877 1.00 0.00 H new ATOM 0 HB1 ALA A 106 9.350 -2.628 11.000 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.719 -3.619 12.431 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.816 -4.324 11.069 1.00 0.00 H new ATOM 1636 N GLN A 107 6.122 -3.742 10.594 1.00 0.00 N ATOM 1637 CA GLN A 107 5.094 -3.538 9.536 1.00 0.00 C ATOM 1638 C GLN A 107 3.887 -2.824 10.142 1.00 0.00 C ATOM 1639 O GLN A 107 3.277 -1.976 9.521 1.00 0.00 O ATOM 1640 CB GLN A 107 4.663 -4.886 8.959 1.00 0.00 C ATOM 1641 CG GLN A 107 3.600 -4.650 7.885 1.00 0.00 C ATOM 1642 CD GLN A 107 3.374 -5.933 7.084 1.00 0.00 C ATOM 1643 OE1 GLN A 107 4.176 -6.843 7.133 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.307 -6.044 6.342 1.00 0.00 N ATOM 0 H GLN A 107 6.370 -4.714 10.779 1.00 0.00 H new ATOM 0 HA GLN A 107 5.514 -2.931 8.734 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.521 -5.405 8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.266 -5.524 9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.666 -4.332 8.349 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.915 -3.846 7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.633 -5.280 6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.147 -6.895 5.803 1.00 0.00 H new ATOM 1653 N LYS A 108 3.533 -3.166 11.352 1.00 0.00 N ATOM 1654 CA LYS A 108 2.362 -2.513 11.999 1.00 0.00 C ATOM 1655 C LYS A 108 2.602 -1.004 12.039 1.00 0.00 C ATOM 1656 O LYS A 108 1.715 -0.218 11.774 1.00 0.00 O ATOM 1657 CB LYS A 108 2.209 -3.052 13.426 1.00 0.00 C ATOM 1658 CG LYS A 108 0.998 -2.402 14.104 1.00 0.00 C ATOM 1659 CD LYS A 108 0.854 -2.943 15.527 1.00 0.01 C ATOM 1660 CE LYS A 108 -0.318 -2.242 16.215 1.00 0.00 C ATOM 1661 NZ LYS A 108 -0.056 -0.775 16.270 1.00 0.00 N ATOM 0 H LYS A 108 4.005 -3.870 11.919 1.00 0.00 H new ATOM 0 HA LYS A 108 1.453 -2.725 11.436 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.086 -4.135 13.403 1.00 0.00 H new ATOM 0 HB3 LYS A 108 3.112 -2.846 14.000 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.119 -1.319 14.127 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.094 -2.610 13.532 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.687 -4.020 15.504 1.00 0.01 H new ATOM 0 HD3 LYS A 108 1.774 -2.775 16.088 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.242 -2.437 15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.451 -2.637 17.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.674 -0.339 16.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.939 -0.609 16.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.250 -0.353 15.340 1.00 0.00 H new ATOM 1675 N LYS A 109 3.802 -0.592 12.345 1.00 0.01 N ATOM 1676 CA LYS A 109 4.092 0.866 12.373 1.00 0.00 C ATOM 1677 C LYS A 109 3.942 1.414 10.956 1.00 0.00 C ATOM 1678 O LYS A 109 3.427 2.495 10.745 1.00 0.00 O ATOM 1679 CB LYS A 109 5.527 1.105 12.849 1.00 0.00 C ATOM 1680 CG LYS A 109 5.721 0.562 14.271 1.00 0.00 C ATOM 1681 CD LYS A 109 4.950 1.423 15.286 1.00 0.01 C ATOM 1682 CE LYS A 109 5.525 1.205 16.689 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.318 -0.212 17.100 1.00 0.01 N ATOM 0 H LYS A 109 4.589 -1.199 12.575 1.00 0.01 H new ATOM 0 HA LYS A 109 3.402 1.364 13.054 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.227 0.619 12.170 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.750 2.172 12.827 1.00 0.00 H new ATOM 0 HG2 LYS A 109 5.374 -0.470 14.323 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.782 0.555 14.522 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.021 2.476 15.013 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.892 1.161 15.271 1.00 0.01 H new ATOM 0 HE2 LYS A 109 6.588 1.445 16.699 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.041 1.875 17.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.584 -0.326 18.099 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 4.317 -0.466 16.977 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 5.908 -0.834 16.511 1.00 0.01 H new ATOM 1697 N ILE A 110 4.389 0.672 9.978 1.00 0.00 N ATOM 1698 CA ILE A 110 4.273 1.146 8.575 1.00 0.00 C ATOM 1699 C ILE A 110 2.795 1.167 8.184 1.00 0.00 C ATOM 1700 O ILE A 110 2.311 2.132 7.626 1.00 0.00 O ATOM 1701 CB ILE A 110 5.048 0.199 7.651 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.534 0.169 8.056 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.921 0.672 6.202 1.00 0.00 C ATOM 1704 CD1 ILE A 110 7.134 1.583 8.081 1.00 0.00 C ATOM 0 H ILE A 110 4.829 -0.241 10.093 1.00 0.00 H new ATOM 0 HA ILE A 110 4.689 2.149 8.481 1.00 0.00 H new ATOM 0 HB ILE A 110 4.632 -0.804 7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.636 -0.289 9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.092 -0.453 7.356 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.473 -0.004 5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.870 0.679 5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.329 1.679 6.111 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.183 1.528 8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.054 2.030 7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.591 2.196 8.800 1.00 0.00 H new ATOM 1716 N PHE A 111 2.058 0.132 8.495 1.00 0.00 N ATOM 1717 CA PHE A 111 0.609 0.147 8.155 1.00 0.00 C ATOM 1718 C PHE A 111 -0.035 1.330 8.888 1.00 0.00 C ATOM 1719 O PHE A 111 -0.742 2.125 8.306 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.054 -1.186 8.585 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.170 -2.116 7.392 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.896 -2.231 6.495 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.347 -2.851 7.175 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.788 -3.074 5.384 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -1.450 -3.695 6.065 1.00 0.00 C ATOM 1726 CZ PHE A 111 -0.385 -3.807 5.170 1.00 0.00 C ATOM 0 H PHE A 111 2.393 -0.710 8.963 1.00 0.00 H new ATOM 0 HA PHE A 111 0.472 0.255 7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.537 -1.659 9.369 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.042 -0.992 9.003 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.803 -1.669 6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.173 -2.764 7.866 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.611 -3.159 4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.355 -4.261 5.900 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.466 -4.459 4.313 1.00 0.00 H new ATOM 1736 N ASN A 112 0.213 1.456 10.162 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.378 2.596 10.918 1.00 0.00 C ATOM 1738 C ASN A 112 0.163 3.917 10.364 1.00 0.00 C ATOM 1739 O ASN A 112 -0.556 4.886 10.234 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.012 2.470 12.400 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.774 1.297 13.026 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -0.499 0.908 14.143 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -1.723 0.708 12.347 1.00 0.00 N ATOM 0 H ASN A 112 0.796 0.823 10.710 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.463 2.579 10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.062 2.316 12.507 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.255 3.394 12.924 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.231 -0.077 12.756 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.956 1.033 11.409 1.00 0.00 H new ATOM 1750 N LEU A 113 1.424 3.966 10.038 1.00 0.00 N ATOM 1751 CA LEU A 113 2.001 5.229 9.497 1.00 0.00 C ATOM 1752 C LEU A 113 1.354 5.563 8.153 1.00 0.00 C ATOM 1753 O LEU A 113 0.773 6.615 7.975 1.00 0.00 O ATOM 1754 CB LEU A 113 3.513 5.048 9.302 1.00 0.00 C ATOM 1755 CG LEU A 113 4.157 6.347 8.737 1.00 0.00 C ATOM 1756 CD1 LEU A 113 5.533 6.572 9.375 1.00 0.00 C ATOM 1757 CD2 LEU A 113 4.342 6.249 7.211 1.00 0.00 C ATOM 0 H LEU A 113 2.079 3.189 10.122 1.00 0.00 H new ATOM 0 HA LEU A 113 1.811 6.042 10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.979 4.790 10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.700 4.218 8.620 1.00 0.00 H new ATOM 0 HG LEU A 113 3.490 7.177 8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.976 7.483 8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.422 6.668 10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.181 5.725 9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.794 7.169 6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.991 5.405 6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.372 6.103 6.736 1.00 0.00 H new ATOM 1769 N MET A 114 1.461 4.679 7.201 1.00 0.00 N ATOM 1770 CA MET A 114 0.868 4.948 5.864 1.00 0.00 C ATOM 1771 C MET A 114 -0.658 5.027 5.975 1.00 0.00 C ATOM 1772 O MET A 114 -1.288 5.856 5.356 1.00 0.00 O ATOM 1773 CB MET A 114 1.272 3.824 4.891 1.00 0.00 C ATOM 1774 CG MET A 114 0.532 2.524 5.238 1.00 0.00 C ATOM 1775 SD MET A 114 1.529 1.093 4.738 1.00 0.00 S ATOM 1776 CE MET A 114 1.436 1.319 2.945 1.00 0.00 C ATOM 0 H MET A 114 1.935 3.780 7.292 1.00 0.00 H new ATOM 0 HA MET A 114 1.240 5.901 5.487 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.041 4.120 3.868 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.349 3.661 4.940 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.333 2.483 6.309 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.434 2.499 4.733 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.548 0.354 2.450 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.471 1.752 2.682 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.233 1.988 2.621 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.263 4.176 6.756 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.742 4.230 6.880 1.00 0.00 C ATOM 1788 C GLU A 115 -3.168 5.593 7.436 1.00 0.00 C ATOM 1789 O GLU A 115 -4.145 6.174 7.009 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.233 3.122 7.814 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.762 3.170 7.898 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.269 1.982 8.718 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.473 1.108 9.011 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.449 1.966 9.031 1.00 0.01 O ATOM 0 H GLU A 115 -0.801 3.453 7.308 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.182 4.087 5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.908 2.149 7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.799 3.248 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.082 4.105 8.358 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.192 3.144 6.897 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.454 6.101 8.401 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.832 7.416 8.993 1.00 0.00 C ATOM 1803 C LYS A 116 -2.395 8.567 8.082 1.00 0.01 C ATOM 1804 O LYS A 116 -2.857 9.681 8.230 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.162 7.576 10.357 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.793 6.599 11.350 1.00 0.00 C ATOM 1807 CD LYS A 116 -2.123 6.759 12.714 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.753 5.781 13.707 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.208 6.079 13.850 1.00 0.00 N ATOM 0 H LYS A 116 -1.626 5.664 8.806 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.916 7.445 9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.092 7.386 10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.278 8.600 10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.863 6.789 11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.677 5.575 10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.053 6.570 12.630 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.239 7.782 13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.614 4.757 13.362 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.258 5.861 14.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.568 5.640 14.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.349 7.108 13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.723 5.697 13.031 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.495 8.319 7.160 1.00 0.00 N ATOM 1824 CA ASP A 117 -1.008 9.416 6.256 1.00 0.00 C ATOM 1825 C ASP A 117 -1.268 9.076 4.785 1.00 0.00 C ATOM 1826 O ASP A 117 -1.883 9.839 4.068 1.00 0.00 O ATOM 1827 CB ASP A 117 0.496 9.601 6.470 1.00 0.00 C ATOM 1828 CG ASP A 117 0.745 10.228 7.844 1.00 0.00 C ATOM 1829 OD1 ASP A 117 -0.155 10.882 8.347 1.00 0.00 O ATOM 1830 OD2 ASP A 117 1.830 10.044 8.370 1.00 0.00 O ATOM 0 H ASP A 117 -1.075 7.405 6.993 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.547 10.332 6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.005 8.639 6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.909 10.238 5.688 1.00 0.00 H new ATOM 1835 N SER A 118 -0.790 7.959 4.315 1.00 0.00 N ATOM 1836 CA SER A 118 -1.001 7.619 2.879 1.00 0.00 C ATOM 1837 C SER A 118 -2.499 7.528 2.554 1.00 0.00 C ATOM 1838 O SER A 118 -2.958 8.107 1.595 1.00 0.01 O ATOM 1839 CB SER A 118 -0.325 6.284 2.552 1.00 0.00 C ATOM 1840 OG SER A 118 -1.075 5.220 3.119 1.00 0.00 O ATOM 0 H SER A 118 -0.267 7.271 4.856 1.00 0.00 H new ATOM 0 HA SER A 118 -0.559 8.410 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.252 6.156 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.692 6.274 2.943 1.00 0.00 H new ATOM 0 HG SER A 118 -1.490 5.521 3.954 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.256 6.796 3.330 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.721 6.658 3.040 1.00 0.00 C ATOM 1848 C TYR A 119 -5.420 8.022 3.072 1.00 0.01 C ATOM 1849 O TYR A 119 -6.158 8.369 2.168 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.360 5.719 4.090 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.790 4.419 3.443 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.888 3.702 2.650 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.094 3.945 3.625 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.289 2.512 2.042 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.492 2.753 3.016 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.589 2.039 2.225 1.00 0.00 C ATOM 1857 OH TYR A 119 -6.975 0.864 1.621 1.00 0.00 O ATOM 0 H TYR A 119 -2.927 6.288 4.151 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.841 6.239 2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.646 5.517 4.888 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.221 6.207 4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.882 4.069 2.509 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.791 4.500 4.235 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.593 1.957 1.430 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.497 2.384 3.157 1.00 0.01 H new ATOM 0 HH TYR A 119 -7.947 0.865 1.494 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.220 8.787 4.102 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.906 10.103 4.171 1.00 0.01 C ATOM 1869 C ARG A 120 -5.467 10.930 2.968 1.00 0.00 C ATOM 1870 O ARG A 120 -6.263 11.581 2.318 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.502 10.819 5.467 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.850 9.947 6.686 1.00 0.01 C ATOM 1873 CD ARG A 120 -7.356 9.994 6.974 1.00 0.00 C ATOM 1874 NE ARG A 120 -7.639 9.344 8.299 1.00 0.01 N ATOM 1875 CZ ARG A 120 -7.289 8.108 8.550 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -6.845 7.335 7.599 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -7.440 7.626 9.752 1.00 0.01 N ATOM 0 H ARG A 120 -4.617 8.562 4.893 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.988 9.971 4.162 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.433 11.031 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.017 11.777 5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.542 8.918 6.503 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.297 10.295 7.558 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -7.702 11.028 6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.904 9.482 6.183 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.117 9.881 9.023 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -6.767 7.692 6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -6.575 6.374 7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.829 8.211 10.491 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -7.169 6.663 9.953 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.206 10.886 2.650 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.712 11.643 1.474 1.00 0.01 C ATOM 1893 C ARG A 121 -4.241 10.986 0.196 1.00 0.01 C ATOM 1894 O ARG A 121 -4.575 11.658 -0.757 1.00 0.01 O ATOM 1895 CB ARG A 121 -2.180 11.648 1.463 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.635 12.420 2.679 1.00 0.00 C ATOM 1897 CD ARG A 121 -1.825 13.933 2.495 1.00 0.00 C ATOM 1898 NE ARG A 121 -1.372 14.344 1.138 1.00 0.01 N ATOM 1899 CZ ARG A 121 -1.746 15.492 0.649 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -2.527 16.272 1.347 1.00 0.00 N ATOM 1901 NH2 ARG A 121 -1.347 15.858 -0.538 1.00 0.01 N ATOM 0 H ARG A 121 -3.496 10.357 3.156 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.066 12.673 1.528 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.807 10.624 1.478 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.818 12.106 0.542 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -2.148 12.092 3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.577 12.196 2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.874 14.195 2.631 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.260 14.473 3.255 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.770 13.728 0.592 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -2.843 15.982 2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.821 17.171 0.967 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.742 15.245 -1.084 1.00 0.01 H new ATOM 0 HH22 ARG A 121 -1.640 16.757 -0.920 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.324 9.677 0.159 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.840 9.012 -1.074 1.00 0.01 C ATOM 1917 C PHE A 122 -6.262 9.502 -1.334 1.00 0.01 C ATOM 1918 O PHE A 122 -6.598 9.886 -2.429 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.832 7.470 -0.900 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.997 6.823 -1.982 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -4.536 6.627 -3.259 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.685 6.428 -1.706 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -3.761 6.034 -4.261 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -1.910 5.836 -2.706 1.00 0.01 C ATOM 1925 CZ PHE A 122 -2.448 5.639 -3.986 1.00 0.00 C ATOM 0 H PHE A 122 -4.060 9.050 0.919 1.00 0.01 H new ATOM 0 HA PHE A 122 -4.200 9.262 -1.920 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.433 7.210 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.852 7.087 -0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -5.550 6.934 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.271 6.580 -0.720 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -4.176 5.881 -5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.896 5.530 -2.493 1.00 0.01 H new ATOM 0 HZ PHE A 122 -1.848 5.182 -4.759 1.00 0.00 H new ATOM 1935 N LEU A 123 -7.097 9.503 -0.341 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.483 9.980 -0.565 1.00 0.00 C ATOM 1937 C LEU A 123 -8.426 11.433 -1.033 1.00 0.01 C ATOM 1938 O LEU A 123 -9.247 11.880 -1.808 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.287 9.880 0.732 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.339 8.419 1.210 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.038 8.361 2.572 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.117 7.556 0.199 1.00 0.01 C ATOM 0 H LEU A 123 -6.884 9.197 0.608 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.970 9.364 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.833 10.506 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.298 10.255 0.572 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.323 8.034 1.296 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.078 7.328 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.483 8.962 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.051 8.752 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.147 6.524 0.549 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.134 7.936 0.103 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.621 7.596 -0.771 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.454 12.172 -0.569 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.319 13.605 -0.980 1.00 0.01 C ATOM 1956 C LYS A 124 -6.248 13.732 -2.072 1.00 0.01 C ATOM 1957 O LYS A 124 -5.840 14.821 -2.423 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.889 14.424 0.236 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.946 14.293 1.329 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.523 15.110 2.549 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.583 14.978 3.641 1.00 0.01 C ATOM 1962 NZ LYS A 124 -8.087 15.612 4.894 1.00 0.01 N ATOM 0 H LYS A 124 -6.741 11.844 0.082 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.272 13.968 -1.365 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.924 14.073 0.603 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.763 15.471 -0.041 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.910 14.643 0.961 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -8.071 13.246 1.605 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.559 14.760 2.918 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -7.398 16.157 2.273 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -9.510 15.454 3.322 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.809 13.927 3.818 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.809 15.522 5.638 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -7.213 15.138 5.200 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -7.892 16.619 4.720 1.00 0.01 H new ATOM 1976 N SER A 125 -5.776 12.630 -2.602 1.00 0.00 N ATOM 1977 CA SER A 125 -4.714 12.700 -3.654 1.00 0.01 C ATOM 1978 C SER A 125 -5.297 13.207 -4.974 1.00 0.01 C ATOM 1979 O SER A 125 -6.490 13.163 -5.200 1.00 0.01 O ATOM 1980 CB SER A 125 -4.104 11.316 -3.872 1.00 0.01 C ATOM 1981 OG SER A 125 -3.404 11.300 -5.109 1.00 0.01 O ATOM 0 H SER A 125 -6.079 11.688 -2.353 1.00 0.00 H new ATOM 0 HA SER A 125 -3.943 13.392 -3.316 1.00 0.01 H new ATOM 0 HB2 SER A 125 -3.426 11.072 -3.054 1.00 0.01 H new ATOM 0 HB3 SER A 125 -4.887 10.557 -3.874 1.00 0.01 H new ATOM 0 HG SER A 125 -3.010 10.414 -5.251 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.452 13.696 -5.846 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.939 14.220 -7.155 1.00 0.01 C ATOM 1989 C ARG A 126 -5.415 13.058 -8.026 1.00 0.00 C ATOM 1990 O ARG A 126 -6.417 13.153 -8.708 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.795 14.947 -7.870 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.233 16.059 -6.975 1.00 0.01 C ATOM 1993 CD ARG A 126 -4.185 17.262 -6.956 1.00 0.01 C ATOM 1994 NE ARG A 126 -3.514 18.424 -6.286 1.00 0.00 N ATOM 1995 CZ ARG A 126 -3.053 18.342 -5.065 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -3.319 17.304 -4.322 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -2.365 19.335 -4.567 1.00 0.01 N ATOM 0 H ARG A 126 -3.443 13.754 -5.706 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.764 14.911 -6.983 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.006 14.239 -8.122 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.154 15.371 -8.808 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -3.092 15.683 -5.962 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.253 16.368 -7.340 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -4.469 17.530 -7.974 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -5.102 17.004 -6.427 1.00 0.01 H new ATOM 0 HE ARG A 126 -3.415 19.302 -6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.892 16.545 -4.692 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -2.954 17.251 -3.371 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -2.190 20.167 -5.130 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -2.003 19.278 -3.615 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.713 11.958 -8.009 1.00 0.01 N ATOM 2012 CA PHE A 127 -5.142 10.798 -8.837 1.00 0.01 C ATOM 2013 C PHE A 127 -6.456 10.257 -8.280 1.00 0.01 C ATOM 2014 O PHE A 127 -7.391 9.976 -9.002 1.00 0.00 O ATOM 2015 CB PHE A 127 -4.089 9.687 -8.761 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.785 10.166 -9.343 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.517 9.988 -10.705 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.838 10.783 -8.518 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -1.303 10.428 -11.243 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.623 11.223 -9.055 1.00 0.00 C ATOM 2021 CZ PHE A 127 -0.356 11.047 -10.418 1.00 0.00 C ATOM 0 H PHE A 127 -3.865 11.814 -7.460 1.00 0.01 H new ATOM 0 HA PHE A 127 -5.264 11.118 -9.872 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.943 9.384 -7.724 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.437 8.808 -9.304 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -3.248 9.511 -11.341 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -2.045 10.920 -7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.096 10.290 -12.294 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.109 11.698 -8.418 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.581 11.389 -10.833 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.519 10.103 -6.989 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.747 9.568 -6.341 1.00 0.01 C ATOM 2033 C TYR A 128 -8.952 10.466 -6.624 1.00 0.01 C ATOM 2034 O TYR A 128 -10.007 10.000 -7.004 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.529 9.518 -4.837 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.674 8.784 -4.183 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -9.807 9.491 -3.766 1.00 0.00 C ATOM 2038 CD2 TYR A 128 -8.603 7.398 -3.993 1.00 0.01 C ATOM 2039 CE1 TYR A 128 -10.870 8.812 -3.158 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -9.664 6.720 -3.384 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.797 7.427 -2.966 1.00 0.01 C ATOM 2042 OH TYR A 128 -11.847 6.758 -2.368 1.00 0.01 O ATOM 0 H TYR A 128 -5.760 10.328 -6.345 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.944 8.574 -6.742 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.587 9.017 -4.612 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.456 10.529 -4.436 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -9.862 10.560 -3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -7.729 6.853 -4.317 1.00 0.01 H new ATOM 0 HE1 TYR A 128 -11.746 9.356 -2.837 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -9.609 5.652 -3.236 1.00 0.01 H new ATOM 0 HH TYR A 128 -11.636 5.803 -2.311 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.817 11.744 -6.407 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.974 12.657 -6.627 1.00 0.01 C ATOM 2054 C LEU A 129 -10.440 12.556 -8.078 1.00 0.01 C ATOM 2055 O LEU A 129 -11.617 12.403 -8.346 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.553 14.099 -6.320 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.328 14.274 -4.808 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.633 15.614 -4.555 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.673 14.249 -4.050 1.00 0.01 C ATOM 0 H LEU A 129 -7.960 12.195 -6.088 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.792 12.370 -5.966 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.639 14.342 -6.862 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.322 14.791 -6.664 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.708 13.453 -4.448 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.471 15.744 -3.485 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.673 15.629 -5.072 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.259 16.425 -4.928 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.491 14.374 -2.983 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.307 15.060 -4.408 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -11.171 13.295 -4.224 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.539 12.618 -9.017 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.966 12.502 -10.437 1.00 0.91 C ATOM 2073 C ASP A 130 -10.644 11.148 -10.633 1.00 1.05 C ATOM 2074 O ASP A 130 -11.648 11.035 -11.308 1.00 1.91 O ATOM 2075 CB ASP A 130 -8.750 12.616 -11.358 1.00 2.23 C ATOM 2076 CG ASP A 130 -8.221 14.051 -11.330 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.973 14.930 -10.939 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -7.077 14.248 -11.701 1.00 3.77 O ATOM 0 H ASP A 130 -8.538 12.742 -8.866 1.00 0.56 H new ATOM 0 HA ASP A 130 -10.663 13.304 -10.682 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.971 11.924 -11.037 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -9.024 12.338 -12.376 1.00 2.23 H new ATOM 2083 N LEU A 131 -10.113 10.124 -10.026 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.736 8.779 -10.147 1.00 1.68 C ATOM 2085 C LEU A 131 -12.059 8.782 -9.378 1.00 2.00 C ATOM 2086 O LEU A 131 -13.045 8.224 -9.816 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.803 7.720 -9.553 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.533 7.589 -10.412 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.440 6.893 -9.599 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.815 6.754 -11.670 1.00 3.54 C ATOM 0 H LEU A 131 -9.272 10.162 -9.450 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.913 8.547 -11.197 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.534 7.993 -8.533 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -10.317 6.760 -9.501 1.00 2.07 H new ATOM 0 HG LEU A 131 -8.211 8.587 -10.708 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -6.539 6.799 -10.206 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -7.218 7.482 -8.709 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.783 5.902 -9.302 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -7.905 6.673 -12.264 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -9.148 5.758 -11.378 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -9.592 7.238 -12.261 1.00 3.54 H new ATOM 2102 N THR A 132 -12.082 9.417 -8.230 1.00 2.68 N ATOM 2103 CA THR A 132 -13.330 9.479 -7.413 1.00 3.30 C ATOM 2104 C THR A 132 -13.937 10.866 -7.544 1.00 3.72 C ATOM 2105 O THR A 132 -13.816 11.700 -6.670 1.00 3.94 O ATOM 2106 CB THR A 132 -13.011 9.222 -5.933 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.851 9.951 -5.566 1.00 4.04 O ATOM 2108 CG2 THR A 132 -12.774 7.731 -5.703 1.00 4.63 C ATOM 0 H THR A 132 -11.280 9.899 -7.823 1.00 2.68 H new ATOM 0 HA THR A 132 -14.025 8.719 -7.770 1.00 3.30 H new ATOM 0 HB THR A 132 -13.854 9.547 -5.323 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.280 9.393 -4.998 1.00 4.04 H new ATOM 0 HG21 THR A 132 -12.548 7.556 -4.651 1.00 4.63 H new ATOM 0 HG22 THR A 132 -13.669 7.173 -5.979 1.00 4.63 H new ATOM 0 HG23 THR A 132 -11.935 7.397 -6.314 1.00 4.63 H new