USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1029 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 59 HIS :FLIP no HD1:sc= -2.59! C(o=-8.8!,f=-5.5!) USER MOD Set 1.2: A 92 HIS : no HD1:sc= -2.88! K(o=-5.5!,f=-7.5) USER MOD Set 2.1: A 60 TYR OH : rot 124:sc= -1.92 USER MOD Set 2.2: A 71 SER OG : rot 57:sc= 0.116 USER MOD Set 3.1: A 45 LYS NZ :NH3+ -144:sc= 0.533 (180deg=0.303) USER MOD Set 3.2: A 106 TYR OH : rot 150:sc= -0.0653 USER MOD Single : A 1 GLU N :NH3+ -169:sc= 0 (180deg=-0.0846) USER MOD Single : A 2 HIS : no HD1:sc= -5.57! C(o=-5.6!,f=-8.2!) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.0392 (180deg=-0.432) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.0144 (180deg=-0.253) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -3.02! C(o=-3!,f=-2.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -139:sc= -3! USER MOD Single : A 41 TYR OH : rot 30:sc= -1.21 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.086 F(o=-1.6!,f=-0.086) USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 55 GLN : amide:sc= -10.3! C(o=-10!,f=-12!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.04 K(o=-1,f=-4.2!) USER MOD Single : A 66 CYS SG : rot -9:sc= -4.37! USER MOD Single : A 67 SER OG : rot 180:sc= 0.0599 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.08! C(o=-6.5!,f=-1.1!) USER MOD Single : A 78 THR OG1 : rot 84:sc= 1.16 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.199 F(o=-1.5,f=-0.2) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -5.4! C(o=-5.4!,f=-6.8!) USER MOD Single : A 91 GLN : amide:sc= -4.82! C(o=-4.8!,f=-5.2!) USER MOD Single : A 96 GLN : amide:sc= -1.6 K(o=-1.6,f=-4.8!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 114 LYS NZ :NH3+ -167:sc= -0.535 (180deg=-1.06!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00093) USER MOD Single : A 124 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.27) USER MOD Single : A 128 ASN : amide:sc= -0.0641 K(o=-0.064,f=-1.8!) USER MOD Single : A 133 GLN : amide:sc= -0.621 K(o=-0.62,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 108.356 -5.257 15.113 1.00 0.00 N ATOM 2 CA GLU A 1 107.187 -4.598 15.762 1.00 0.00 C ATOM 3 C GLU A 1 106.054 -5.612 15.923 1.00 0.00 C ATOM 4 O GLU A 1 106.101 -6.479 16.774 1.00 0.00 O ATOM 5 CB GLU A 1 106.709 -3.435 14.890 1.00 0.00 C ATOM 6 CG GLU A 1 107.798 -2.362 14.826 1.00 0.00 C ATOM 7 CD GLU A 1 107.170 -1.017 14.462 1.00 0.00 C ATOM 8 OE1 GLU A 1 106.083 -0.744 14.944 1.00 0.00 O ATOM 9 OE2 GLU A 1 107.786 -0.281 13.709 1.00 0.00 O ATOM 0 H1 GLU A 1 109.184 -4.630 15.171 1.00 0.00 H new ATOM 0 H2 GLU A 1 108.564 -6.152 15.600 1.00 0.00 H new ATOM 0 H3 GLU A 1 108.136 -5.449 14.115 1.00 0.00 H new ATOM 0 HA GLU A 1 107.480 -4.222 16.742 1.00 0.00 H new ATOM 0 HB2 GLU A 1 106.476 -3.791 13.887 1.00 0.00 H new ATOM 0 HB3 GLU A 1 105.792 -3.013 15.300 1.00 0.00 H new ATOM 0 HG2 GLU A 1 108.308 -2.289 15.787 1.00 0.00 H new ATOM 0 HG3 GLU A 1 108.550 -2.636 14.086 1.00 0.00 H new ATOM 18 N HIS A 2 105.035 -5.512 15.116 1.00 0.00 N ATOM 19 CA HIS A 2 103.900 -6.471 15.225 1.00 0.00 C ATOM 20 C HIS A 2 103.320 -6.738 13.833 1.00 0.00 C ATOM 21 O HIS A 2 102.293 -6.202 13.469 1.00 0.00 O ATOM 22 CB HIS A 2 102.813 -5.876 16.125 1.00 0.00 C ATOM 23 CG HIS A 2 102.801 -4.381 15.977 1.00 0.00 C ATOM 24 ND1 HIS A 2 103.827 -3.579 16.460 1.00 0.00 N ATOM 25 CD2 HIS A 2 101.895 -3.523 15.403 1.00 0.00 C ATOM 26 CE1 HIS A 2 103.515 -2.303 16.172 1.00 0.00 C ATOM 27 NE2 HIS A 2 102.349 -2.215 15.528 1.00 0.00 N ATOM 0 H HIS A 2 104.939 -4.807 14.385 1.00 0.00 H new ATOM 0 HA HIS A 2 104.256 -7.407 15.655 1.00 0.00 H new ATOM 0 HB2 HIS A 2 101.839 -6.286 15.857 1.00 0.00 H new ATOM 0 HB3 HIS A 2 102.998 -6.147 17.164 1.00 0.00 H new ATOM 0 HD2 HIS A 2 100.972 -3.819 14.928 1.00 0.00 H new ATOM 0 HE1 HIS A 2 104.131 -1.455 16.430 1.00 0.00 H new ATOM 0 HE2 HIS A 2 101.888 -1.367 15.197 1.00 0.00 H new ATOM 35 N PRO A 3 103.975 -7.566 13.064 1.00 0.00 N ATOM 36 CA PRO A 3 103.524 -7.916 11.688 1.00 0.00 C ATOM 37 C PRO A 3 102.359 -8.911 11.703 1.00 0.00 C ATOM 38 O PRO A 3 102.552 -10.106 11.824 1.00 0.00 O ATOM 39 CB PRO A 3 104.762 -8.543 11.050 1.00 0.00 C ATOM 40 CG PRO A 3 105.568 -9.089 12.185 1.00 0.00 C ATOM 41 CD PRO A 3 105.223 -8.259 13.424 1.00 0.00 C ATOM 0 HA PRO A 3 103.152 -7.047 11.145 1.00 0.00 H new ATOM 0 HB2 PRO A 3 104.485 -9.332 10.351 1.00 0.00 H new ATOM 0 HB3 PRO A 3 105.330 -7.803 10.487 1.00 0.00 H new ATOM 0 HG2 PRO A 3 105.337 -10.141 12.350 1.00 0.00 H new ATOM 0 HG3 PRO A 3 106.634 -9.027 11.965 1.00 0.00 H new ATOM 0 HD2 PRO A 3 105.087 -8.892 14.301 1.00 0.00 H new ATOM 0 HD3 PRO A 3 106.017 -7.551 13.662 1.00 0.00 H new ATOM 49 N GLU A 4 101.152 -8.428 11.589 1.00 0.00 N ATOM 50 CA GLU A 4 99.976 -9.344 11.606 1.00 0.00 C ATOM 51 C GLU A 4 99.744 -9.929 10.212 1.00 0.00 C ATOM 52 O GLU A 4 99.410 -11.088 10.064 1.00 0.00 O ATOM 53 CB GLU A 4 98.732 -8.567 12.043 1.00 0.00 C ATOM 54 CG GLU A 4 99.057 -7.739 13.287 1.00 0.00 C ATOM 55 CD GLU A 4 97.757 -7.307 13.967 1.00 0.00 C ATOM 56 OE1 GLU A 4 97.534 -6.112 14.069 1.00 0.00 O ATOM 57 OE2 GLU A 4 97.007 -8.178 14.374 1.00 0.00 O ATOM 0 H GLU A 4 100.929 -7.438 11.485 1.00 0.00 H new ATOM 0 HA GLU A 4 100.169 -10.157 12.306 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.396 -7.915 11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 4 97.916 -9.257 12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 4 99.664 -8.324 13.978 1.00 0.00 H new ATOM 0 HG3 GLU A 4 99.644 -6.863 13.011 1.00 0.00 H new ATOM 64 N PHE A 5 99.906 -9.138 9.188 1.00 0.00 N ATOM 65 CA PHE A 5 99.679 -9.660 7.810 1.00 0.00 C ATOM 66 C PHE A 5 100.663 -10.795 7.515 1.00 0.00 C ATOM 67 O PHE A 5 100.289 -11.838 7.017 1.00 0.00 O ATOM 68 CB PHE A 5 99.873 -8.539 6.786 1.00 0.00 C ATOM 69 CG PHE A 5 99.230 -8.957 5.484 1.00 0.00 C ATOM 70 CD1 PHE A 5 97.839 -9.036 5.388 1.00 0.00 C ATOM 71 CD2 PHE A 5 100.024 -9.284 4.381 1.00 0.00 C ATOM 72 CE1 PHE A 5 97.241 -9.441 4.194 1.00 0.00 C ATOM 73 CE2 PHE A 5 99.427 -9.687 3.183 1.00 0.00 C ATOM 74 CZ PHE A 5 98.033 -9.768 3.089 1.00 0.00 C ATOM 0 H PHE A 5 100.184 -8.158 9.244 1.00 0.00 H new ATOM 0 HA PHE A 5 98.659 -10.037 7.741 1.00 0.00 H new ATOM 0 HB2 PHE A 5 99.425 -7.614 7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 5 100.935 -8.342 6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 5 97.225 -8.783 6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 5 101.100 -9.225 4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 5 96.165 -9.502 4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 5 100.041 -9.936 2.330 1.00 0.00 H new ATOM 0 HZ PHE A 5 97.570 -10.082 2.165 1.00 0.00 H new ATOM 84 N LEU A 6 101.918 -10.605 7.817 1.00 0.00 N ATOM 85 CA LEU A 6 102.916 -11.679 7.547 1.00 0.00 C ATOM 86 C LEU A 6 102.709 -12.827 8.537 1.00 0.00 C ATOM 87 O LEU A 6 102.921 -13.980 8.218 1.00 0.00 O ATOM 88 CB LEU A 6 104.332 -11.120 7.703 1.00 0.00 C ATOM 89 CG LEU A 6 104.503 -9.886 6.808 1.00 0.00 C ATOM 90 CD1 LEU A 6 104.333 -8.613 7.642 1.00 0.00 C ATOM 91 CD2 LEU A 6 105.901 -9.896 6.183 1.00 0.00 C ATOM 0 H LEU A 6 102.295 -9.756 8.238 1.00 0.00 H new ATOM 0 HA LEU A 6 102.784 -12.046 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.516 -10.854 8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 6 105.065 -11.880 7.434 1.00 0.00 H new ATOM 0 HG LEU A 6 103.749 -9.908 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 6 104.455 -7.739 7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 6 103.338 -8.600 8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 6 105.084 -8.592 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 6 106.022 -9.019 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 6 106.653 -9.878 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 6 106.025 -10.798 5.584 1.00 0.00 H new ATOM 103 N LYS A 7 102.295 -12.522 9.734 1.00 0.00 N ATOM 104 CA LYS A 7 102.074 -13.593 10.743 1.00 0.00 C ATOM 105 C LYS A 7 100.600 -14.009 10.731 1.00 0.00 C ATOM 106 O LYS A 7 100.181 -14.863 11.487 1.00 0.00 O ATOM 107 CB LYS A 7 102.445 -13.073 12.133 1.00 0.00 C ATOM 108 CG LYS A 7 103.920 -12.662 12.149 1.00 0.00 C ATOM 109 CD LYS A 7 104.794 -13.899 12.370 1.00 0.00 C ATOM 110 CE LYS A 7 106.253 -13.470 12.532 1.00 0.00 C ATOM 111 NZ LYS A 7 106.707 -12.778 11.294 1.00 0.00 N ATOM 0 H LYS A 7 102.100 -11.575 10.058 1.00 0.00 H new ATOM 0 HA LYS A 7 102.698 -14.453 10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 7 101.817 -12.221 12.394 1.00 0.00 H new ATOM 0 HB3 LYS A 7 102.263 -13.844 12.882 1.00 0.00 H new ATOM 0 HG2 LYS A 7 104.184 -12.181 11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 7 104.097 -11.933 12.940 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.462 -14.438 13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 7 104.696 -14.582 11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.355 -12.806 13.391 1.00 0.00 H new ATOM 0 HE3 LYS A 7 106.880 -14.340 12.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 107.746 -12.743 11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 106.365 -13.297 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 106.327 -11.810 11.278 1.00 0.00 H new ATOM 125 N ALA A 8 99.813 -13.413 9.879 1.00 0.00 N ATOM 126 CA ALA A 8 98.369 -13.774 9.821 1.00 0.00 C ATOM 127 C ALA A 8 98.229 -15.292 9.675 1.00 0.00 C ATOM 128 O ALA A 8 99.107 -15.958 9.167 1.00 0.00 O ATOM 129 CB ALA A 8 97.718 -13.085 8.620 1.00 0.00 C ATOM 0 H ALA A 8 100.107 -12.692 9.221 1.00 0.00 H new ATOM 0 HA ALA A 8 97.876 -13.449 10.737 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.661 -13.349 8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 8 97.818 -12.004 8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.210 -13.410 7.703 1.00 0.00 H new ATOM 135 N GLY A 9 97.133 -15.841 10.119 1.00 0.00 N ATOM 136 CA GLY A 9 96.936 -17.315 10.007 1.00 0.00 C ATOM 137 C GLY A 9 96.331 -17.850 11.306 1.00 0.00 C ATOM 138 O GLY A 9 96.969 -18.567 12.050 1.00 0.00 O ATOM 0 H GLY A 9 96.364 -15.333 10.555 1.00 0.00 H new ATOM 0 HA2 GLY A 9 96.279 -17.542 9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.889 -17.806 9.808 1.00 0.00 H new ATOM 142 N LYS A 10 95.104 -17.505 11.586 1.00 0.00 N ATOM 143 CA LYS A 10 94.459 -17.991 12.833 1.00 0.00 C ATOM 144 C LYS A 10 92.973 -18.247 12.575 1.00 0.00 C ATOM 145 O LYS A 10 92.211 -18.510 13.486 1.00 0.00 O ATOM 146 CB LYS A 10 94.613 -16.937 13.931 1.00 0.00 C ATOM 147 CG LYS A 10 93.937 -15.639 13.490 1.00 0.00 C ATOM 148 CD LYS A 10 94.559 -14.458 14.239 1.00 0.00 C ATOM 149 CE LYS A 10 93.578 -13.283 14.246 1.00 0.00 C ATOM 150 NZ LYS A 10 94.169 -12.149 15.010 1.00 0.00 N ATOM 0 H LYS A 10 94.521 -16.906 11.002 1.00 0.00 H new ATOM 0 HA LYS A 10 94.936 -18.918 13.150 1.00 0.00 H new ATOM 0 HB2 LYS A 10 94.167 -17.295 14.859 1.00 0.00 H new ATOM 0 HB3 LYS A 10 95.669 -16.759 14.133 1.00 0.00 H new ATOM 0 HG2 LYS A 10 94.054 -15.503 12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 10 92.867 -15.688 13.691 1.00 0.00 H new ATOM 0 HD2 LYS A 10 94.801 -14.749 15.261 1.00 0.00 H new ATOM 0 HD3 LYS A 10 95.493 -14.162 13.762 1.00 0.00 H new ATOM 0 HE2 LYS A 10 93.358 -12.972 13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 10 92.633 -13.587 14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 93.503 -11.350 15.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 94.357 -12.450 15.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 95.060 -11.855 14.561 1.00 0.00 H new ATOM 164 N GLU A 11 92.553 -18.173 11.342 1.00 0.00 N ATOM 165 CA GLU A 11 91.115 -18.413 11.032 1.00 0.00 C ATOM 166 C GLU A 11 90.948 -18.599 9.516 1.00 0.00 C ATOM 167 O GLU A 11 91.375 -17.769 8.738 1.00 0.00 O ATOM 168 CB GLU A 11 90.289 -17.209 11.488 1.00 0.00 C ATOM 169 CG GLU A 11 91.010 -15.916 11.105 1.00 0.00 C ATOM 170 CD GLU A 11 90.204 -14.715 11.603 1.00 0.00 C ATOM 171 OE1 GLU A 11 90.580 -14.155 12.619 1.00 0.00 O ATOM 172 OE2 GLU A 11 89.227 -14.374 10.959 1.00 0.00 O ATOM 0 H GLU A 11 93.142 -17.957 10.537 1.00 0.00 H new ATOM 0 HA GLU A 11 90.773 -19.308 11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 11 89.302 -17.237 11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 11 90.138 -17.247 12.567 1.00 0.00 H new ATOM 0 HG2 GLU A 11 92.009 -15.902 11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 11 91.132 -15.862 10.023 1.00 0.00 H new ATOM 179 N PRO A 12 90.330 -19.677 9.098 1.00 0.00 N ATOM 180 CA PRO A 12 90.109 -19.961 7.651 1.00 0.00 C ATOM 181 C PRO A 12 88.984 -19.108 7.059 1.00 0.00 C ATOM 182 O PRO A 12 87.822 -19.455 7.138 1.00 0.00 O ATOM 183 CB PRO A 12 89.726 -21.440 7.628 1.00 0.00 C ATOM 184 CG PRO A 12 89.121 -21.711 8.965 1.00 0.00 C ATOM 185 CD PRO A 12 89.774 -20.741 9.953 1.00 0.00 C ATOM 0 HA PRO A 12 90.990 -19.729 7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 12 89.018 -21.651 6.826 1.00 0.00 H new ATOM 0 HB3 PRO A 12 90.599 -22.070 7.456 1.00 0.00 H new ATOM 0 HG2 PRO A 12 88.041 -21.565 8.937 1.00 0.00 H new ATOM 0 HG3 PRO A 12 89.295 -22.744 9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 12 89.047 -20.344 10.661 1.00 0.00 H new ATOM 0 HD3 PRO A 12 90.553 -21.231 10.537 1.00 0.00 H new ATOM 193 N GLY A 13 89.318 -17.994 6.466 1.00 0.00 N ATOM 194 CA GLY A 13 88.264 -17.126 5.872 1.00 0.00 C ATOM 195 C GLY A 13 88.917 -15.966 5.117 1.00 0.00 C ATOM 196 O GLY A 13 89.429 -16.132 4.028 1.00 0.00 O ATOM 0 H GLY A 13 90.273 -17.649 6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.639 -17.708 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.612 -16.741 6.656 1.00 0.00 H new ATOM 200 N LEU A 14 88.899 -14.793 5.687 1.00 0.00 N ATOM 201 CA LEU A 14 89.513 -13.622 5.000 1.00 0.00 C ATOM 202 C LEU A 14 89.905 -12.563 6.033 1.00 0.00 C ATOM 203 O LEU A 14 89.143 -12.239 6.922 1.00 0.00 O ATOM 204 CB LEU A 14 88.499 -13.024 4.019 1.00 0.00 C ATOM 205 CG LEU A 14 89.175 -11.933 3.182 1.00 0.00 C ATOM 206 CD1 LEU A 14 89.839 -12.563 1.957 1.00 0.00 C ATOM 207 CD2 LEU A 14 88.123 -10.920 2.723 1.00 0.00 C ATOM 0 H LEU A 14 88.486 -14.595 6.598 1.00 0.00 H new ATOM 0 HA LEU A 14 90.403 -13.945 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.104 -13.804 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 14 87.653 -12.606 4.565 1.00 0.00 H new ATOM 0 HG LEU A 14 89.930 -11.430 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.319 -11.785 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 14 90.587 -13.287 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 14 89.084 -13.067 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 14 88.602 -10.143 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 14 87.369 -11.426 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 14 87.648 -10.469 3.594 1.00 0.00 H new ATOM 219 N GLN A 15 91.086 -12.019 5.920 1.00 0.00 N ATOM 220 CA GLN A 15 91.529 -10.977 6.891 1.00 0.00 C ATOM 221 C GLN A 15 91.986 -9.732 6.126 1.00 0.00 C ATOM 222 O GLN A 15 92.745 -9.820 5.180 1.00 0.00 O ATOM 223 CB GLN A 15 92.690 -11.513 7.731 1.00 0.00 C ATOM 224 CG GLN A 15 92.291 -12.845 8.373 1.00 0.00 C ATOM 225 CD GLN A 15 93.546 -13.676 8.643 1.00 0.00 C ATOM 226 OE1 GLN A 15 94.089 -14.288 7.746 1.00 0.00 O ATOM 227 NE2 GLN A 15 94.034 -13.726 9.854 1.00 0.00 N ATOM 0 H GLN A 15 91.765 -12.252 5.195 1.00 0.00 H new ATOM 0 HA GLN A 15 90.698 -10.719 7.548 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.572 -11.650 7.105 1.00 0.00 H new ATOM 0 HB3 GLN A 15 92.956 -10.791 8.503 1.00 0.00 H new ATOM 0 HG2 GLN A 15 91.753 -12.666 9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 15 91.615 -13.391 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 15 93.579 -13.212 10.609 1.00 0.00 H new ATOM 0 HE22 GLN A 15 94.870 -14.279 10.045 1.00 0.00 H new ATOM 236 N ILE A 16 91.526 -8.576 6.525 1.00 0.00 N ATOM 237 CA ILE A 16 91.929 -7.326 5.820 1.00 0.00 C ATOM 238 C ILE A 16 92.886 -6.521 6.701 1.00 0.00 C ATOM 239 O ILE A 16 92.681 -6.378 7.890 1.00 0.00 O ATOM 240 CB ILE A 16 90.683 -6.486 5.525 1.00 0.00 C ATOM 241 CG1 ILE A 16 89.713 -7.301 4.665 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.085 -5.215 4.774 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.517 -6.429 4.278 1.00 0.00 C ATOM 0 H ILE A 16 90.888 -8.444 7.310 1.00 0.00 H new ATOM 0 HA ILE A 16 92.429 -7.584 4.886 1.00 0.00 H new ATOM 0 HB ILE A 16 90.200 -6.213 6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.219 -7.661 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 16 89.374 -8.179 5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.196 -4.619 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 16 91.776 -4.634 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.569 -5.485 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 16 87.827 -7.009 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.006 -6.091 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.865 -5.565 3.712 1.00 0.00 H new ATOM 255 N TRP A 17 93.929 -5.987 6.124 1.00 0.00 N ATOM 256 CA TRP A 17 94.896 -5.185 6.923 1.00 0.00 C ATOM 257 C TRP A 17 95.325 -3.962 6.108 1.00 0.00 C ATOM 258 O TRP A 17 95.091 -3.888 4.917 1.00 0.00 O ATOM 259 CB TRP A 17 96.122 -6.044 7.249 1.00 0.00 C ATOM 260 CG TRP A 17 96.044 -6.534 8.661 1.00 0.00 C ATOM 261 CD1 TRP A 17 96.216 -5.765 9.760 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.782 -7.886 9.144 1.00 0.00 C ATOM 263 NE1 TRP A 17 96.079 -6.557 10.885 1.00 0.00 N ATOM 264 CE2 TRP A 17 95.811 -7.871 10.559 1.00 0.00 C ATOM 265 CE3 TRP A 17 95.525 -9.110 8.499 1.00 0.00 C ATOM 266 CZ2 TRP A 17 95.594 -9.029 11.307 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.306 -10.277 9.249 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.342 -10.238 10.649 1.00 0.00 C ATOM 0 H TRP A 17 94.152 -6.073 5.132 1.00 0.00 H new ATOM 0 HA TRP A 17 94.428 -4.859 7.852 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.176 -6.890 6.564 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.032 -5.461 7.107 1.00 0.00 H new ATOM 0 HD1 TRP A 17 96.426 -4.706 9.759 1.00 0.00 H new ATOM 0 HE1 TRP A 17 96.166 -6.212 11.841 1.00 0.00 H new ATOM 0 HE3 TRP A 17 95.496 -9.152 7.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 95.620 -8.992 12.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.109 -11.211 8.743 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.175 -11.140 11.220 1.00 0.00 H new ATOM 279 N ARG A 18 95.948 -3.003 6.733 1.00 0.00 N ATOM 280 CA ARG A 18 96.384 -1.790 5.986 1.00 0.00 C ATOM 281 C ARG A 18 97.712 -1.283 6.554 1.00 0.00 C ATOM 282 O ARG A 18 97.940 -1.319 7.747 1.00 0.00 O ATOM 283 CB ARG A 18 95.319 -0.699 6.121 1.00 0.00 C ATOM 284 CG ARG A 18 95.730 0.531 5.300 1.00 0.00 C ATOM 285 CD ARG A 18 96.194 1.647 6.239 1.00 0.00 C ATOM 286 NE ARG A 18 95.007 2.286 6.875 1.00 0.00 N ATOM 287 CZ ARG A 18 94.263 3.108 6.185 1.00 0.00 C ATOM 288 NH1 ARG A 18 93.222 3.666 6.741 1.00 0.00 N ATOM 289 NH2 ARG A 18 94.559 3.371 4.942 1.00 0.00 N ATOM 0 H ARG A 18 96.174 -3.006 7.728 1.00 0.00 H new ATOM 0 HA ARG A 18 96.516 -2.042 4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.355 -1.073 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.197 -0.424 7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 18 96.531 0.268 4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 18 94.889 0.876 4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 18 96.856 1.241 7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 18 96.766 2.390 5.684 1.00 0.00 H new ATOM 0 HE ARG A 18 94.776 2.082 7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 18 92.991 3.460 7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 18 92.640 4.308 6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 18 95.372 2.934 4.508 1.00 0.00 H new ATOM 0 HH22 ARG A 18 93.977 4.013 4.404 1.00 0.00 H new ATOM 303 N VAL A 19 98.589 -0.811 5.710 1.00 0.00 N ATOM 304 CA VAL A 19 99.896 -0.302 6.206 1.00 0.00 C ATOM 305 C VAL A 19 99.718 1.111 6.760 1.00 0.00 C ATOM 306 O VAL A 19 99.184 1.982 6.102 1.00 0.00 O ATOM 307 CB VAL A 19 100.909 -0.272 5.058 1.00 0.00 C ATOM 308 CG1 VAL A 19 100.580 0.890 4.118 1.00 0.00 C ATOM 309 CG2 VAL A 19 102.316 -0.080 5.629 1.00 0.00 C ATOM 0 H VAL A 19 98.456 -0.757 4.700 1.00 0.00 H new ATOM 0 HA VAL A 19 100.261 -0.961 6.994 1.00 0.00 H new ATOM 0 HB VAL A 19 100.863 -1.211 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 19 101.301 0.912 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 19 99.576 0.758 3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 19 100.628 1.829 4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 19 103.040 -0.058 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 19 102.360 0.860 6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 19 102.552 -0.905 6.301 1.00 0.00 H new ATOM 319 N GLU A 20 100.162 1.347 7.963 1.00 0.00 N ATOM 320 CA GLU A 20 100.019 2.704 8.556 1.00 0.00 C ATOM 321 C GLU A 20 100.944 2.825 9.769 1.00 0.00 C ATOM 322 O GLU A 20 101.014 1.943 10.602 1.00 0.00 O ATOM 323 CB GLU A 20 98.564 2.927 8.989 1.00 0.00 C ATOM 324 CG GLU A 20 97.914 3.985 8.092 1.00 0.00 C ATOM 325 CD GLU A 20 98.609 5.332 8.305 1.00 0.00 C ATOM 326 OE1 GLU A 20 98.642 6.112 7.369 1.00 0.00 O ATOM 327 OE2 GLU A 20 99.094 5.558 9.401 1.00 0.00 O ATOM 0 H GLU A 20 100.618 0.658 8.561 1.00 0.00 H new ATOM 0 HA GLU A 20 100.290 3.457 7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 20 98.008 1.991 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 20 98.530 3.248 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 20 97.989 3.686 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 20 96.852 4.071 8.324 1.00 0.00 H new ATOM 334 N LYS A 21 101.655 3.910 9.870 1.00 0.00 N ATOM 335 CA LYS A 21 102.580 4.098 11.025 1.00 0.00 C ATOM 336 C LYS A 21 103.833 3.244 10.822 1.00 0.00 C ATOM 337 O LYS A 21 104.331 2.625 11.743 1.00 0.00 O ATOM 338 CB LYS A 21 101.874 3.675 12.317 1.00 0.00 C ATOM 339 CG LYS A 21 102.410 4.503 13.488 1.00 0.00 C ATOM 340 CD LYS A 21 101.893 3.921 14.804 1.00 0.00 C ATOM 341 CE LYS A 21 102.411 4.762 15.973 1.00 0.00 C ATOM 342 NZ LYS A 21 103.880 4.561 16.117 1.00 0.00 N ATOM 0 H LYS A 21 101.637 4.680 9.201 1.00 0.00 H new ATOM 0 HA LYS A 21 102.866 5.147 11.094 1.00 0.00 H new ATOM 0 HB2 LYS A 21 100.798 3.818 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 21 102.039 2.614 12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 21 103.500 4.500 13.480 1.00 0.00 H new ATOM 0 HG3 LYS A 21 102.093 5.541 13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 21 100.803 3.909 14.805 1.00 0.00 H new ATOM 0 HD3 LYS A 21 102.223 2.888 14.911 1.00 0.00 H new ATOM 0 HE2 LYS A 21 102.193 5.816 15.802 1.00 0.00 H new ATOM 0 HE3 LYS A 21 101.902 4.477 16.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 104.187 4.902 17.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 104.102 3.549 16.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 104.378 5.092 15.374 1.00 0.00 H new ATOM 356 N PHE A 22 104.349 3.204 9.624 1.00 0.00 N ATOM 357 CA PHE A 22 105.571 2.392 9.366 1.00 0.00 C ATOM 358 C PHE A 22 105.389 0.994 9.962 1.00 0.00 C ATOM 359 O PHE A 22 106.280 0.454 10.585 1.00 0.00 O ATOM 360 CB PHE A 22 106.779 3.068 10.014 1.00 0.00 C ATOM 361 CG PHE A 22 107.311 4.140 9.092 1.00 0.00 C ATOM 362 CD1 PHE A 22 108.541 3.963 8.446 1.00 0.00 C ATOM 363 CD2 PHE A 22 106.575 5.312 8.885 1.00 0.00 C ATOM 364 CE1 PHE A 22 109.033 4.956 7.592 1.00 0.00 C ATOM 365 CE2 PHE A 22 107.068 6.307 8.031 1.00 0.00 C ATOM 366 CZ PHE A 22 108.297 6.130 7.386 1.00 0.00 C ATOM 0 H PHE A 22 103.977 3.699 8.813 1.00 0.00 H new ATOM 0 HA PHE A 22 105.733 2.311 8.291 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.495 3.505 10.971 1.00 0.00 H new ATOM 0 HB3 PHE A 22 107.556 2.331 10.218 1.00 0.00 H new ATOM 0 HD1 PHE A 22 109.110 3.059 8.607 1.00 0.00 H new ATOM 0 HD2 PHE A 22 105.627 5.449 9.384 1.00 0.00 H new ATOM 0 HE1 PHE A 22 109.980 4.817 7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 22 106.499 7.211 7.870 1.00 0.00 H new ATOM 0 HZ PHE A 22 108.678 6.898 6.730 1.00 0.00 H new ATOM 376 N ASP A 23 104.239 0.405 9.776 1.00 0.00 N ATOM 377 CA ASP A 23 104.001 -0.957 10.333 1.00 0.00 C ATOM 378 C ASP A 23 102.652 -1.482 9.837 1.00 0.00 C ATOM 379 O ASP A 23 102.015 -0.885 8.992 1.00 0.00 O ATOM 380 CB ASP A 23 103.991 -0.887 11.862 1.00 0.00 C ATOM 381 CG ASP A 23 104.277 -2.275 12.438 1.00 0.00 C ATOM 382 OD1 ASP A 23 104.424 -3.200 11.657 1.00 0.00 O ATOM 383 OD2 ASP A 23 104.348 -2.388 13.651 1.00 0.00 O ATOM 0 H ASP A 23 103.455 0.808 9.263 1.00 0.00 H new ATOM 0 HA ASP A 23 104.795 -1.628 10.005 1.00 0.00 H new ATOM 0 HB2 ASP A 23 104.741 -0.176 12.209 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.024 -0.528 12.214 1.00 0.00 H new ATOM 388 N LEU A 24 102.212 -2.596 10.355 1.00 0.00 N ATOM 389 CA LEU A 24 100.905 -3.158 9.913 1.00 0.00 C ATOM 390 C LEU A 24 99.781 -2.575 10.773 1.00 0.00 C ATOM 391 O LEU A 24 99.910 -2.443 11.974 1.00 0.00 O ATOM 392 CB LEU A 24 100.926 -4.682 10.066 1.00 0.00 C ATOM 393 CG LEU A 24 101.682 -5.307 8.889 1.00 0.00 C ATOM 394 CD1 LEU A 24 100.874 -5.131 7.599 1.00 0.00 C ATOM 395 CD2 LEU A 24 103.042 -4.621 8.737 1.00 0.00 C ATOM 0 H LEU A 24 102.701 -3.141 11.065 1.00 0.00 H new ATOM 0 HA LEU A 24 100.734 -2.900 8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 24 101.405 -4.957 11.006 1.00 0.00 H new ATOM 0 HB3 LEU A 24 99.907 -5.068 10.103 1.00 0.00 H new ATOM 0 HG LEU A 24 101.827 -6.371 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 24 101.417 -5.577 6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 24 99.906 -5.621 7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 24 100.723 -4.069 7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 24 103.582 -5.064 7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 24 102.894 -3.557 8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 24 103.620 -4.752 9.652 1.00 0.00 H new ATOM 407 N VAL A 25 98.678 -2.224 10.168 1.00 0.00 N ATOM 408 CA VAL A 25 97.548 -1.650 10.950 1.00 0.00 C ATOM 409 C VAL A 25 96.226 -2.236 10.434 1.00 0.00 C ATOM 410 O VAL A 25 95.958 -2.213 9.249 1.00 0.00 O ATOM 411 CB VAL A 25 97.533 -0.130 10.772 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.634 0.503 11.835 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.956 0.413 10.921 1.00 0.00 C ATOM 0 H VAL A 25 98.512 -2.311 9.165 1.00 0.00 H new ATOM 0 HA VAL A 25 97.669 -1.894 12.005 1.00 0.00 H new ATOM 0 HB VAL A 25 97.150 0.115 9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 25 96.625 1.585 11.706 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.620 0.117 11.731 1.00 0.00 H new ATOM 0 HG13 VAL A 25 97.015 0.259 12.826 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.947 1.496 10.795 1.00 0.00 H new ATOM 0 HG22 VAL A 25 99.338 0.166 11.912 1.00 0.00 H new ATOM 0 HG23 VAL A 25 99.598 -0.036 10.163 1.00 0.00 H new ATOM 423 N PRO A 26 95.405 -2.761 11.311 1.00 0.00 N ATOM 424 CA PRO A 26 94.096 -3.362 10.920 1.00 0.00 C ATOM 425 C PRO A 26 93.046 -2.299 10.575 1.00 0.00 C ATOM 426 O PRO A 26 93.217 -1.130 10.860 1.00 0.00 O ATOM 427 CB PRO A 26 93.672 -4.146 12.163 1.00 0.00 C ATOM 428 CG PRO A 26 94.339 -3.460 13.308 1.00 0.00 C ATOM 429 CD PRO A 26 95.629 -2.841 12.764 1.00 0.00 C ATOM 0 HA PRO A 26 94.185 -3.977 10.024 1.00 0.00 H new ATOM 0 HB2 PRO A 26 92.588 -4.142 12.280 1.00 0.00 H new ATOM 0 HB3 PRO A 26 93.982 -5.189 12.095 1.00 0.00 H new ATOM 0 HG2 PRO A 26 93.690 -2.692 13.730 1.00 0.00 H new ATOM 0 HG3 PRO A 26 94.557 -4.167 14.108 1.00 0.00 H new ATOM 0 HD2 PRO A 26 95.811 -1.856 13.194 1.00 0.00 H new ATOM 0 HD3 PRO A 26 96.497 -3.457 13.000 1.00 0.00 H new ATOM 437 N VAL A 27 91.964 -2.698 9.964 1.00 0.00 N ATOM 438 CA VAL A 27 90.902 -1.717 9.600 1.00 0.00 C ATOM 439 C VAL A 27 89.657 -1.971 10.460 1.00 0.00 C ATOM 440 O VAL A 27 88.891 -2.875 10.194 1.00 0.00 O ATOM 441 CB VAL A 27 90.540 -1.889 8.125 1.00 0.00 C ATOM 442 CG1 VAL A 27 89.697 -0.699 7.663 1.00 0.00 C ATOM 443 CG2 VAL A 27 91.820 -1.957 7.290 1.00 0.00 C ATOM 0 H VAL A 27 91.769 -3.664 9.700 1.00 0.00 H new ATOM 0 HA VAL A 27 91.265 -0.704 9.774 1.00 0.00 H new ATOM 0 HB VAL A 27 89.971 -2.810 7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.439 -0.822 6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 27 88.784 -0.647 8.257 1.00 0.00 H new ATOM 0 HG13 VAL A 27 90.266 0.222 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 27 91.562 -2.080 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.388 -1.036 7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 27 92.423 -2.804 7.617 1.00 0.00 H new ATOM 453 N PRO A 28 89.457 -1.177 11.482 1.00 0.00 N ATOM 454 CA PRO A 28 88.282 -1.320 12.392 1.00 0.00 C ATOM 455 C PRO A 28 86.953 -1.335 11.630 1.00 0.00 C ATOM 456 O PRO A 28 86.894 -1.022 10.456 1.00 0.00 O ATOM 457 CB PRO A 28 88.355 -0.089 13.297 1.00 0.00 C ATOM 458 CG PRO A 28 89.773 0.373 13.240 1.00 0.00 C ATOM 459 CD PRO A 28 90.327 -0.062 11.884 1.00 0.00 C ATOM 0 HA PRO A 28 88.317 -2.263 12.937 1.00 0.00 H new ATOM 0 HB2 PRO A 28 87.675 0.691 12.953 1.00 0.00 H new ATOM 0 HB3 PRO A 28 88.065 -0.336 14.318 1.00 0.00 H new ATOM 0 HG2 PRO A 28 89.831 1.456 13.352 1.00 0.00 H new ATOM 0 HG3 PRO A 28 90.354 -0.063 14.053 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.292 0.752 11.160 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.368 -0.376 11.961 1.00 0.00 H new ATOM 467 N THR A 29 85.886 -1.692 12.292 1.00 0.00 N ATOM 468 CA THR A 29 84.564 -1.721 11.609 1.00 0.00 C ATOM 469 C THR A 29 84.236 -0.318 11.098 1.00 0.00 C ATOM 470 O THR A 29 84.914 0.640 11.414 1.00 0.00 O ATOM 471 CB THR A 29 83.488 -2.170 12.600 1.00 0.00 C ATOM 472 OG1 THR A 29 83.903 -3.369 13.237 1.00 0.00 O ATOM 473 CG2 THR A 29 82.174 -2.413 11.855 1.00 0.00 C ATOM 0 H THR A 29 85.874 -1.964 13.275 1.00 0.00 H new ATOM 0 HA THR A 29 84.596 -2.419 10.772 1.00 0.00 H new ATOM 0 HB THR A 29 83.339 -1.394 13.350 1.00 0.00 H new ATOM 0 HG1 THR A 29 83.215 -3.656 13.873 1.00 0.00 H new ATOM 0 HG21 THR A 29 81.409 -2.733 12.562 1.00 0.00 H new ATOM 0 HG22 THR A 29 81.856 -1.491 11.368 1.00 0.00 H new ATOM 0 HG23 THR A 29 82.320 -3.189 11.103 1.00 0.00 H new ATOM 481 N ASN A 30 83.206 -0.186 10.310 1.00 0.00 N ATOM 482 CA ASN A 30 82.846 1.157 9.779 1.00 0.00 C ATOM 483 C ASN A 30 83.907 1.600 8.771 1.00 0.00 C ATOM 484 O ASN A 30 83.601 2.157 7.736 1.00 0.00 O ATOM 485 CB ASN A 30 82.778 2.163 10.931 1.00 0.00 C ATOM 486 CG ASN A 30 82.316 1.451 12.203 1.00 0.00 C ATOM 487 OD1 ASN A 30 83.120 1.089 13.038 1.00 0.00 O ATOM 488 ND2 ASN A 30 81.042 1.234 12.388 1.00 0.00 N ATOM 0 H ASN A 30 82.599 -0.949 10.011 1.00 0.00 H new ATOM 0 HA ASN A 30 81.874 1.108 9.288 1.00 0.00 H new ATOM 0 HB2 ASN A 30 83.756 2.616 11.090 1.00 0.00 H new ATOM 0 HB3 ASN A 30 82.089 2.970 10.683 1.00 0.00 H new ATOM 0 HD21 ASN A 30 80.723 0.761 13.233 1.00 0.00 H new ATOM 0 HD22 ASN A 30 80.366 1.538 11.687 1.00 0.00 H new ATOM 495 N LEU A 31 85.153 1.352 9.066 1.00 0.00 N ATOM 496 CA LEU A 31 86.234 1.751 8.125 1.00 0.00 C ATOM 497 C LEU A 31 86.360 0.696 7.028 1.00 0.00 C ATOM 498 O LEU A 31 86.476 1.009 5.859 1.00 0.00 O ATOM 499 CB LEU A 31 87.557 1.865 8.884 1.00 0.00 C ATOM 500 CG LEU A 31 87.462 2.993 9.913 1.00 0.00 C ATOM 501 CD1 LEU A 31 88.734 3.019 10.764 1.00 0.00 C ATOM 502 CD2 LEU A 31 87.307 4.335 9.189 1.00 0.00 C ATOM 0 H LEU A 31 85.468 0.890 9.919 1.00 0.00 H new ATOM 0 HA LEU A 31 85.993 2.715 7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 31 87.785 0.923 9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 31 88.372 2.062 8.187 1.00 0.00 H new ATOM 0 HG LEU A 31 86.598 2.824 10.556 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.665 3.823 11.497 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.846 2.066 11.281 1.00 0.00 H new ATOM 0 HD13 LEU A 31 89.598 3.187 10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 31 87.239 5.138 9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 31 88.170 4.503 8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 31 86.401 4.319 8.584 1.00 0.00 H new ATOM 514 N TYR A 32 86.333 -0.554 7.396 1.00 0.00 N ATOM 515 CA TYR A 32 86.444 -1.635 6.377 1.00 0.00 C ATOM 516 C TYR A 32 85.382 -1.415 5.293 1.00 0.00 C ATOM 517 O TYR A 32 84.252 -1.076 5.580 1.00 0.00 O ATOM 518 CB TYR A 32 86.230 -2.994 7.055 1.00 0.00 C ATOM 519 CG TYR A 32 85.468 -3.920 6.134 1.00 0.00 C ATOM 520 CD1 TYR A 32 85.998 -4.261 4.886 1.00 0.00 C ATOM 521 CD2 TYR A 32 84.227 -4.435 6.532 1.00 0.00 C ATOM 522 CE1 TYR A 32 85.291 -5.118 4.034 1.00 0.00 C ATOM 523 CE2 TYR A 32 83.519 -5.291 5.681 1.00 0.00 C ATOM 524 CZ TYR A 32 84.051 -5.633 4.432 1.00 0.00 C ATOM 525 OH TYR A 32 83.353 -6.478 3.593 1.00 0.00 O ATOM 0 H TYR A 32 86.239 -0.875 8.360 1.00 0.00 H new ATOM 0 HA TYR A 32 87.433 -1.617 5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 32 87.192 -3.436 7.313 1.00 0.00 H new ATOM 0 HB3 TYR A 32 85.680 -2.862 7.987 1.00 0.00 H new ATOM 0 HD1 TYR A 32 86.954 -3.863 4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 32 83.817 -4.171 7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 32 85.702 -5.382 3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 32 82.562 -5.688 5.988 1.00 0.00 H new ATOM 0 HH TYR A 32 82.513 -6.745 4.022 1.00 0.00 H new ATOM 535 N GLY A 33 85.739 -1.607 4.052 1.00 0.00 N ATOM 536 CA GLY A 33 84.752 -1.409 2.951 1.00 0.00 C ATOM 537 C GLY A 33 85.116 -0.155 2.155 1.00 0.00 C ATOM 538 O GLY A 33 84.549 0.118 1.115 1.00 0.00 O ATOM 0 H GLY A 33 86.671 -1.892 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 33 84.745 -2.279 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 33 83.747 -1.312 3.363 1.00 0.00 H new ATOM 542 N ASP A 34 86.057 0.611 2.637 1.00 0.00 N ATOM 543 CA ASP A 34 86.461 1.851 1.911 1.00 0.00 C ATOM 544 C ASP A 34 87.953 1.782 1.580 1.00 0.00 C ATOM 545 O ASP A 34 88.793 1.765 2.457 1.00 0.00 O ATOM 546 CB ASP A 34 86.191 3.070 2.795 1.00 0.00 C ATOM 547 CG ASP A 34 84.841 2.905 3.494 1.00 0.00 C ATOM 548 OD1 ASP A 34 83.917 2.431 2.853 1.00 0.00 O ATOM 549 OD2 ASP A 34 84.751 3.257 4.658 1.00 0.00 O ATOM 0 H ASP A 34 86.565 0.432 3.503 1.00 0.00 H new ATOM 0 HA ASP A 34 85.887 1.937 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 34 86.984 3.179 3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 34 86.191 3.977 2.191 1.00 0.00 H new ATOM 554 N PHE A 35 88.289 1.741 0.319 1.00 0.00 N ATOM 555 CA PHE A 35 89.727 1.674 -0.067 1.00 0.00 C ATOM 556 C PHE A 35 90.294 3.089 -0.179 1.00 0.00 C ATOM 557 O PHE A 35 89.645 3.991 -0.671 1.00 0.00 O ATOM 558 CB PHE A 35 89.859 0.961 -1.414 1.00 0.00 C ATOM 559 CG PHE A 35 89.578 -0.511 -1.237 1.00 0.00 C ATOM 560 CD1 PHE A 35 88.431 -1.077 -1.807 1.00 0.00 C ATOM 561 CD2 PHE A 35 90.461 -1.310 -0.503 1.00 0.00 C ATOM 562 CE1 PHE A 35 88.168 -2.443 -1.643 1.00 0.00 C ATOM 563 CE2 PHE A 35 90.199 -2.676 -0.338 1.00 0.00 C ATOM 564 CZ PHE A 35 89.053 -3.242 -0.908 1.00 0.00 C ATOM 0 H PHE A 35 87.630 1.751 -0.460 1.00 0.00 H new ATOM 0 HA PHE A 35 90.282 1.123 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 35 89.162 1.391 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 35 90.862 1.104 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 35 87.749 -0.460 -2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 35 91.345 -0.873 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 35 87.284 -2.880 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.881 -3.292 0.229 1.00 0.00 H new ATOM 0 HZ PHE A 35 88.851 -4.295 -0.781 1.00 0.00 H new ATOM 574 N PHE A 36 91.502 3.292 0.274 1.00 0.00 N ATOM 575 CA PHE A 36 92.112 4.650 0.194 1.00 0.00 C ATOM 576 C PHE A 36 93.102 4.693 -0.973 1.00 0.00 C ATOM 577 O PHE A 36 93.756 3.716 -1.280 1.00 0.00 O ATOM 578 CB PHE A 36 92.844 4.956 1.508 1.00 0.00 C ATOM 579 CG PHE A 36 92.511 6.357 1.963 1.00 0.00 C ATOM 580 CD1 PHE A 36 93.398 7.408 1.706 1.00 0.00 C ATOM 581 CD2 PHE A 36 91.311 6.605 2.644 1.00 0.00 C ATOM 582 CE1 PHE A 36 93.088 8.706 2.130 1.00 0.00 C ATOM 583 CE2 PHE A 36 91.003 7.902 3.068 1.00 0.00 C ATOM 584 CZ PHE A 36 91.890 8.953 2.811 1.00 0.00 C ATOM 0 H PHE A 36 92.093 2.576 0.696 1.00 0.00 H new ATOM 0 HA PHE A 36 91.333 5.395 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 36 92.553 4.236 2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 36 93.920 4.855 1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 36 94.322 7.218 1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 36 90.625 5.795 2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 36 93.773 9.517 1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 36 90.079 8.092 3.594 1.00 0.00 H new ATOM 0 HZ PHE A 36 91.651 9.954 3.138 1.00 0.00 H new ATOM 594 N THR A 37 93.218 5.817 -1.624 1.00 0.00 N ATOM 595 CA THR A 37 94.166 5.920 -2.770 1.00 0.00 C ATOM 596 C THR A 37 95.520 6.428 -2.268 1.00 0.00 C ATOM 597 O THR A 37 96.495 6.440 -2.991 1.00 0.00 O ATOM 598 CB THR A 37 93.608 6.897 -3.808 1.00 0.00 C ATOM 599 OG1 THR A 37 93.952 8.226 -3.438 1.00 0.00 O ATOM 600 CG2 THR A 37 92.087 6.762 -3.874 1.00 0.00 C ATOM 0 H THR A 37 92.698 6.669 -1.413 1.00 0.00 H new ATOM 0 HA THR A 37 94.292 4.938 -3.226 1.00 0.00 H new ATOM 0 HB THR A 37 94.033 6.670 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.189 8.819 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.692 7.458 -4.614 1.00 0.00 H new ATOM 0 HG22 THR A 37 91.824 5.743 -4.158 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.659 6.988 -2.897 1.00 0.00 H new ATOM 608 N GLY A 38 95.585 6.848 -1.032 1.00 0.00 N ATOM 609 CA GLY A 38 96.875 7.357 -0.483 1.00 0.00 C ATOM 610 C GLY A 38 97.444 6.340 0.510 1.00 0.00 C ATOM 611 O GLY A 38 98.042 6.700 1.504 1.00 0.00 O ATOM 0 H GLY A 38 94.801 6.860 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.585 7.527 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.719 8.316 0.011 1.00 0.00 H new ATOM 615 N ASP A 39 97.265 5.075 0.247 1.00 0.00 N ATOM 616 CA ASP A 39 97.799 4.039 1.176 1.00 0.00 C ATOM 617 C ASP A 39 97.735 2.667 0.502 1.00 0.00 C ATOM 618 O ASP A 39 97.169 2.514 -0.563 1.00 0.00 O ATOM 619 CB ASP A 39 96.960 4.020 2.455 1.00 0.00 C ATOM 620 CG ASP A 39 97.472 5.092 3.418 1.00 0.00 C ATOM 621 OD1 ASP A 39 98.662 5.098 3.689 1.00 0.00 O ATOM 622 OD2 ASP A 39 96.667 5.890 3.869 1.00 0.00 O ATOM 0 H ASP A 39 96.773 4.714 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 39 98.834 4.273 1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 39 95.912 4.201 2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.016 3.038 2.924 1.00 0.00 H new ATOM 627 N ALA A 40 98.311 1.666 1.113 1.00 0.00 N ATOM 628 CA ALA A 40 98.286 0.303 0.509 1.00 0.00 C ATOM 629 C ALA A 40 97.540 -0.657 1.441 1.00 0.00 C ATOM 630 O ALA A 40 97.668 -0.592 2.648 1.00 0.00 O ATOM 631 CB ALA A 40 99.719 -0.193 0.309 1.00 0.00 C ATOM 0 H ALA A 40 98.799 1.734 2.006 1.00 0.00 H new ATOM 0 HA ALA A 40 97.777 0.343 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.701 -1.189 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.251 0.489 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.228 -0.232 1.272 1.00 0.00 H new ATOM 637 N TYR A 41 96.763 -1.549 0.886 1.00 0.00 N ATOM 638 CA TYR A 41 96.007 -2.516 1.734 1.00 0.00 C ATOM 639 C TYR A 41 96.490 -3.937 1.441 1.00 0.00 C ATOM 640 O TYR A 41 96.652 -4.324 0.301 1.00 0.00 O ATOM 641 CB TYR A 41 94.513 -2.412 1.415 1.00 0.00 C ATOM 642 CG TYR A 41 93.956 -1.142 2.012 1.00 0.00 C ATOM 643 CD1 TYR A 41 93.035 -1.210 3.065 1.00 0.00 C ATOM 644 CD2 TYR A 41 94.359 0.103 1.513 1.00 0.00 C ATOM 645 CE1 TYR A 41 92.517 -0.034 3.618 1.00 0.00 C ATOM 646 CE2 TYR A 41 93.841 1.279 2.066 1.00 0.00 C ATOM 647 CZ TYR A 41 92.920 1.211 3.119 1.00 0.00 C ATOM 648 OH TYR A 41 92.408 2.371 3.664 1.00 0.00 O ATOM 0 H TYR A 41 96.619 -1.650 -0.119 1.00 0.00 H new ATOM 0 HA TYR A 41 96.173 -2.284 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.360 -2.416 0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 41 93.984 -3.277 1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 41 92.725 -2.170 3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 41 95.070 0.155 0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 41 91.806 -0.086 4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 41 94.151 2.239 1.681 1.00 0.00 H new ATOM 0 HH TYR A 41 92.196 2.222 4.609 1.00 0.00 H new ATOM 658 N VAL A 42 96.721 -4.720 2.461 1.00 0.00 N ATOM 659 CA VAL A 42 97.190 -6.110 2.249 1.00 0.00 C ATOM 660 C VAL A 42 96.101 -7.071 2.729 1.00 0.00 C ATOM 661 O VAL A 42 95.646 -6.989 3.854 1.00 0.00 O ATOM 662 CB VAL A 42 98.465 -6.325 3.056 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.522 -7.002 2.181 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.002 -4.974 3.536 1.00 0.00 C ATOM 0 H VAL A 42 96.602 -4.449 3.437 1.00 0.00 H new ATOM 0 HA VAL A 42 97.395 -6.290 1.194 1.00 0.00 H new ATOM 0 HB VAL A 42 98.242 -6.958 3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.432 -7.154 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 42 99.146 -7.965 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.742 -6.370 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 42 99.914 -5.129 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.221 -4.343 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.255 -4.487 4.162 1.00 0.00 H new ATOM 674 N ILE A 43 95.655 -7.961 1.882 1.00 0.00 N ATOM 675 CA ILE A 43 94.568 -8.898 2.291 1.00 0.00 C ATOM 676 C ILE A 43 95.046 -10.346 2.157 1.00 0.00 C ATOM 677 O ILE A 43 95.634 -10.728 1.165 1.00 0.00 O ATOM 678 CB ILE A 43 93.341 -8.668 1.401 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.662 -7.612 0.338 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.177 -8.178 2.263 1.00 0.00 C ATOM 681 CD1 ILE A 43 94.043 -6.287 1.011 1.00 0.00 C ATOM 0 H ILE A 43 95.995 -8.079 0.928 1.00 0.00 H new ATOM 0 HA ILE A 43 94.302 -8.712 3.332 1.00 0.00 H new ATOM 0 HB ILE A 43 93.071 -9.603 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.481 -7.957 -0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 43 92.799 -7.464 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.302 -8.013 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 43 91.944 -8.927 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.454 -7.244 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 43 94.269 -5.543 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 43 93.212 -5.937 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.919 -6.438 1.642 1.00 0.00 H new ATOM 693 N LEU A 44 94.797 -11.152 3.157 1.00 0.00 N ATOM 694 CA LEU A 44 95.235 -12.576 3.100 1.00 0.00 C ATOM 695 C LEU A 44 94.029 -13.499 3.276 1.00 0.00 C ATOM 696 O LEU A 44 93.335 -13.450 4.272 1.00 0.00 O ATOM 697 CB LEU A 44 96.245 -12.843 4.220 1.00 0.00 C ATOM 698 CG LEU A 44 96.602 -14.337 4.245 1.00 0.00 C ATOM 699 CD1 LEU A 44 98.104 -14.506 4.487 1.00 0.00 C ATOM 700 CD2 LEU A 44 95.829 -15.033 5.370 1.00 0.00 C ATOM 0 H LEU A 44 94.308 -10.884 4.011 1.00 0.00 H new ATOM 0 HA LEU A 44 95.698 -12.770 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 44 97.144 -12.246 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.826 -12.542 5.180 1.00 0.00 H new ATOM 0 HG LEU A 44 96.335 -14.783 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.353 -15.567 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.659 -14.016 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 44 98.372 -14.055 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 44 96.084 -16.093 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 44 96.094 -14.582 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 44 94.758 -14.920 5.200 1.00 0.00 H new ATOM 712 N LYS A 45 93.782 -14.349 2.317 1.00 0.00 N ATOM 713 CA LYS A 45 92.631 -15.287 2.429 1.00 0.00 C ATOM 714 C LYS A 45 93.135 -16.631 2.957 1.00 0.00 C ATOM 715 O LYS A 45 94.207 -17.081 2.607 1.00 0.00 O ATOM 716 CB LYS A 45 91.991 -15.484 1.053 1.00 0.00 C ATOM 717 CG LYS A 45 90.564 -16.004 1.221 1.00 0.00 C ATOM 718 CD LYS A 45 89.915 -16.169 -0.155 1.00 0.00 C ATOM 719 CE LYS A 45 88.419 -16.440 0.012 1.00 0.00 C ATOM 720 NZ LYS A 45 87.749 -16.370 -1.317 1.00 0.00 N ATOM 0 H LYS A 45 94.329 -14.434 1.460 1.00 0.00 H new ATOM 0 HA LYS A 45 91.888 -14.877 3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.983 -14.541 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 45 92.579 -16.189 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 45 90.573 -16.959 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 45 89.982 -15.311 1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 45 90.067 -15.269 -0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 45 90.386 -16.991 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 45 88.264 -17.423 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 45 87.980 -15.709 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 86.803 -15.953 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 88.315 -15.781 -1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 87.661 -17.328 -1.712 1.00 0.00 H new ATOM 734 N THR A 46 92.376 -17.278 3.801 1.00 0.00 N ATOM 735 CA THR A 46 92.827 -18.588 4.349 1.00 0.00 C ATOM 736 C THR A 46 91.658 -19.574 4.357 1.00 0.00 C ATOM 737 O THR A 46 90.594 -19.283 4.867 1.00 0.00 O ATOM 738 CB THR A 46 93.341 -18.392 5.778 1.00 0.00 C ATOM 739 OG1 THR A 46 94.313 -17.355 5.790 1.00 0.00 O ATOM 740 CG2 THR A 46 93.971 -19.691 6.288 1.00 0.00 C ATOM 0 H THR A 46 91.467 -16.957 4.133 1.00 0.00 H new ATOM 0 HA THR A 46 93.627 -18.985 3.724 1.00 0.00 H new ATOM 0 HB THR A 46 92.508 -18.121 6.427 1.00 0.00 H new ATOM 0 HG1 THR A 46 94.643 -17.226 6.704 1.00 0.00 H new ATOM 0 HG21 THR A 46 94.335 -19.544 7.305 1.00 0.00 H new ATOM 0 HG22 THR A 46 93.224 -20.485 6.281 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.803 -19.970 5.642 1.00 0.00 H new ATOM 748 N VAL A 47 91.845 -20.742 3.797 1.00 0.00 N ATOM 749 CA VAL A 47 90.746 -21.740 3.773 1.00 0.00 C ATOM 750 C VAL A 47 91.288 -23.095 4.217 1.00 0.00 C ATOM 751 O VAL A 47 92.478 -23.292 4.321 1.00 0.00 O ATOM 752 CB VAL A 47 90.208 -21.870 2.354 1.00 0.00 C ATOM 753 CG1 VAL A 47 88.712 -22.191 2.395 1.00 0.00 C ATOM 754 CG2 VAL A 47 90.429 -20.557 1.601 1.00 0.00 C ATOM 0 H VAL A 47 92.714 -21.043 3.356 1.00 0.00 H new ATOM 0 HA VAL A 47 89.949 -21.417 4.443 1.00 0.00 H new ATOM 0 HB VAL A 47 90.735 -22.676 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 47 88.332 -22.283 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 47 88.556 -23.129 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 47 88.182 -21.389 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 47 90.044 -20.651 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.906 -19.750 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.495 -20.333 1.565 1.00 0.00 H new ATOM 764 N GLN A 48 90.419 -24.028 4.470 1.00 0.00 N ATOM 765 CA GLN A 48 90.870 -25.382 4.903 1.00 0.00 C ATOM 766 C GLN A 48 90.771 -26.354 3.724 1.00 0.00 C ATOM 767 O GLN A 48 89.700 -26.801 3.365 1.00 0.00 O ATOM 768 CB GLN A 48 89.977 -25.874 6.045 1.00 0.00 C ATOM 769 CG GLN A 48 90.537 -27.184 6.603 1.00 0.00 C ATOM 770 CD GLN A 48 89.975 -27.425 8.005 1.00 0.00 C ATOM 771 OE1 GLN A 48 89.028 -28.167 8.173 1.00 0.00 O ATOM 772 NE2 GLN A 48 90.521 -26.822 9.026 1.00 0.00 N ATOM 0 H GLN A 48 89.408 -23.913 4.396 1.00 0.00 H new ATOM 0 HA GLN A 48 91.904 -25.329 5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 48 89.929 -25.122 6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 48 88.959 -26.025 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 48 90.273 -28.013 5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 48 91.626 -27.140 6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 48 91.316 -26.199 8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 48 90.152 -26.974 9.965 1.00 0.00 H new ATOM 781 N LEU A 49 91.880 -26.682 3.118 1.00 0.00 N ATOM 782 CA LEU A 49 91.847 -27.625 1.962 1.00 0.00 C ATOM 783 C LEU A 49 91.567 -29.043 2.461 1.00 0.00 C ATOM 784 O LEU A 49 91.606 -29.314 3.645 1.00 0.00 O ATOM 785 CB LEU A 49 93.198 -27.596 1.244 1.00 0.00 C ATOM 786 CG LEU A 49 93.206 -26.472 0.209 1.00 0.00 C ATOM 787 CD1 LEU A 49 94.645 -26.034 -0.062 1.00 0.00 C ATOM 788 CD2 LEU A 49 92.572 -26.973 -1.092 1.00 0.00 C ATOM 0 H LEU A 49 92.806 -26.339 3.372 1.00 0.00 H new ATOM 0 HA LEU A 49 91.059 -27.323 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 49 94.001 -27.445 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 49 93.383 -28.553 0.757 1.00 0.00 H new ATOM 0 HG LEU A 49 92.636 -25.625 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.648 -25.232 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.097 -25.677 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 49 95.217 -26.880 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.577 -26.172 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 49 93.142 -27.821 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 49 91.545 -27.283 -0.900 1.00 0.00 H new ATOM 800 N ARG A 50 91.288 -29.951 1.566 1.00 0.00 N ATOM 801 CA ARG A 50 91.009 -31.352 1.988 1.00 0.00 C ATOM 802 C ARG A 50 92.056 -31.788 3.013 1.00 0.00 C ATOM 803 O ARG A 50 91.776 -31.902 4.191 1.00 0.00 O ATOM 804 CB ARG A 50 91.073 -32.276 0.769 1.00 0.00 C ATOM 805 CG ARG A 50 90.478 -31.561 -0.447 1.00 0.00 C ATOM 806 CD ARG A 50 90.123 -32.590 -1.520 1.00 0.00 C ATOM 807 NE ARG A 50 90.079 -31.924 -2.852 1.00 0.00 N ATOM 808 CZ ARG A 50 90.207 -32.632 -3.940 1.00 0.00 C ATOM 809 NH1 ARG A 50 90.168 -32.049 -5.108 1.00 0.00 N ATOM 810 NH2 ARG A 50 90.373 -33.923 -3.863 1.00 0.00 N ATOM 0 H ARG A 50 91.241 -29.783 0.561 1.00 0.00 H new ATOM 0 HA ARG A 50 90.015 -31.408 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 50 92.106 -32.559 0.568 1.00 0.00 H new ATOM 0 HB3 ARG A 50 90.523 -33.196 0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 50 89.588 -31.003 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 50 91.192 -30.839 -0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 50 90.860 -33.393 -1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 50 89.158 -33.045 -1.297 1.00 0.00 H new ATOM 0 HE ARG A 50 89.949 -30.914 -2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 50 90.037 -31.039 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 50 90.268 -32.603 -5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 50 90.403 -34.380 -2.952 1.00 0.00 H new ATOM 0 HH22 ARG A 50 90.473 -34.476 -4.714 1.00 0.00 H new ATOM 824 N ASN A 51 93.262 -32.028 2.578 1.00 0.00 N ATOM 825 CA ASN A 51 94.325 -32.449 3.533 1.00 0.00 C ATOM 826 C ASN A 51 94.264 -31.564 4.777 1.00 0.00 C ATOM 827 O ASN A 51 94.690 -31.946 5.848 1.00 0.00 O ATOM 828 CB ASN A 51 95.697 -32.302 2.869 1.00 0.00 C ATOM 829 CG ASN A 51 96.695 -33.247 3.543 1.00 0.00 C ATOM 830 OD1 ASN A 51 96.343 -33.883 4.627 1.00 0.00 O flip ATOM 831 ND2 ASN A 51 97.805 -33.407 3.079 1.00 0.00 N flip ATOM 0 H ASN A 51 93.557 -31.951 1.605 1.00 0.00 H new ATOM 0 HA ASN A 51 94.170 -33.490 3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 51 95.625 -32.531 1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 51 96.044 -31.272 2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 51 98.080 -32.910 2.232 1.00 0.00 H new ATOM 0 HD22 ASN A 51 98.463 -34.039 3.536 1.00 0.00 H new ATOM 838 N GLY A 52 93.728 -30.381 4.644 1.00 0.00 N ATOM 839 CA GLY A 52 93.632 -29.469 5.816 1.00 0.00 C ATOM 840 C GLY A 52 94.943 -28.698 5.982 1.00 0.00 C ATOM 841 O GLY A 52 95.350 -28.381 7.082 1.00 0.00 O ATOM 0 H GLY A 52 93.352 -30.008 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 52 92.805 -28.773 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 52 93.420 -30.043 6.718 1.00 0.00 H new ATOM 845 N ASN A 53 95.608 -28.392 4.902 1.00 0.00 N ATOM 846 CA ASN A 53 96.890 -27.643 5.011 1.00 0.00 C ATOM 847 C ASN A 53 96.596 -26.148 5.043 1.00 0.00 C ATOM 848 O ASN A 53 97.469 -25.320 4.877 1.00 0.00 O ATOM 849 CB ASN A 53 97.786 -27.970 3.818 1.00 0.00 C ATOM 850 CG ASN A 53 98.638 -29.199 4.138 1.00 0.00 C ATOM 851 OD1 ASN A 53 98.131 -30.159 4.861 1.00 0.00 O flip ATOM 852 ND2 ASN A 53 99.779 -29.286 3.727 1.00 0.00 N flip ATOM 0 H ASN A 53 95.320 -28.628 3.952 1.00 0.00 H new ATOM 0 HA ASN A 53 97.404 -27.933 5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 53 97.177 -28.157 2.934 1.00 0.00 H new ATOM 0 HB3 ASN A 53 98.428 -27.120 3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 53 100.176 -28.536 3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 53 100.339 -30.109 3.948 1.00 0.00 H new ATOM 859 N LEU A 54 95.366 -25.806 5.261 1.00 0.00 N ATOM 860 CA LEU A 54 94.973 -24.378 5.315 1.00 0.00 C ATOM 861 C LEU A 54 95.576 -23.636 4.127 1.00 0.00 C ATOM 862 O LEU A 54 96.736 -23.276 4.125 1.00 0.00 O ATOM 863 CB LEU A 54 95.464 -23.761 6.625 1.00 0.00 C ATOM 864 CG LEU A 54 94.388 -23.928 7.703 1.00 0.00 C ATOM 865 CD1 LEU A 54 94.900 -23.362 9.027 1.00 0.00 C ATOM 866 CD2 LEU A 54 93.113 -23.182 7.284 1.00 0.00 C ATOM 0 H LEU A 54 94.602 -26.466 5.407 1.00 0.00 H new ATOM 0 HA LEU A 54 93.887 -24.297 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 54 96.389 -24.242 6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 54 95.688 -22.704 6.480 1.00 0.00 H new ATOM 0 HG LEU A 54 94.161 -24.987 7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 54 94.134 -23.481 9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 54 95.801 -23.897 9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 54 95.130 -22.304 8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 54 92.351 -23.304 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.336 -22.122 7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.746 -23.590 6.342 1.00 0.00 H new ATOM 878 N GLN A 55 94.790 -23.407 3.116 1.00 0.00 N ATOM 879 CA GLN A 55 95.308 -22.685 1.918 1.00 0.00 C ATOM 880 C GLN A 55 95.591 -21.232 2.293 1.00 0.00 C ATOM 881 O GLN A 55 94.899 -20.647 3.102 1.00 0.00 O ATOM 882 CB GLN A 55 94.261 -22.727 0.803 1.00 0.00 C ATOM 883 CG GLN A 55 94.955 -22.571 -0.554 1.00 0.00 C ATOM 884 CD GLN A 55 95.612 -21.192 -0.633 1.00 0.00 C ATOM 885 OE1 GLN A 55 94.956 -20.182 -0.474 1.00 0.00 O ATOM 886 NE2 GLN A 55 96.891 -21.107 -0.877 1.00 0.00 N ATOM 0 H GLN A 55 93.811 -23.687 3.065 1.00 0.00 H new ATOM 0 HA GLN A 55 96.225 -23.162 1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.714 -23.669 0.838 1.00 0.00 H new ATOM 0 HB3 GLN A 55 93.531 -21.930 0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 55 95.705 -23.351 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.231 -22.688 -1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 55 97.442 -21.955 -1.011 1.00 0.00 H new ATOM 0 HE22 GLN A 55 97.340 -20.193 -0.934 1.00 0.00 H new ATOM 895 N TYR A 56 96.608 -20.643 1.719 1.00 0.00 N ATOM 896 CA TYR A 56 96.935 -19.227 2.050 1.00 0.00 C ATOM 897 C TYR A 56 97.099 -18.415 0.763 1.00 0.00 C ATOM 898 O TYR A 56 98.010 -18.632 -0.011 1.00 0.00 O ATOM 899 CB TYR A 56 98.240 -19.183 2.847 1.00 0.00 C ATOM 900 CG TYR A 56 98.018 -19.786 4.213 1.00 0.00 C ATOM 901 CD1 TYR A 56 98.232 -21.154 4.419 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.597 -18.976 5.275 1.00 0.00 C ATOM 903 CE1 TYR A 56 98.026 -21.713 5.686 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.390 -19.535 6.542 1.00 0.00 C ATOM 905 CZ TYR A 56 97.605 -20.902 6.748 1.00 0.00 C ATOM 906 OH TYR A 56 97.401 -21.453 7.997 1.00 0.00 O ATOM 0 H TYR A 56 97.225 -21.082 1.036 1.00 0.00 H new ATOM 0 HA TYR A 56 96.126 -18.800 2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 56 99.020 -19.731 2.318 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.584 -18.153 2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 56 98.556 -21.779 3.600 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.432 -17.920 5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 56 98.191 -22.768 5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 56 97.064 -18.911 7.361 1.00 0.00 H new ATOM 0 HH TYR A 56 97.112 -20.754 8.620 1.00 0.00 H new ATOM 916 N ASP A 57 96.228 -17.470 0.543 1.00 0.00 N ATOM 917 CA ASP A 57 96.324 -16.620 -0.678 1.00 0.00 C ATOM 918 C ASP A 57 96.391 -15.159 -0.236 1.00 0.00 C ATOM 919 O ASP A 57 95.948 -14.816 0.841 1.00 0.00 O ATOM 920 CB ASP A 57 95.089 -16.837 -1.557 1.00 0.00 C ATOM 921 CG ASP A 57 95.197 -18.191 -2.262 1.00 0.00 C ATOM 922 OD1 ASP A 57 96.180 -18.878 -2.036 1.00 0.00 O ATOM 923 OD2 ASP A 57 94.294 -18.519 -3.013 1.00 0.00 O ATOM 0 H ASP A 57 95.448 -17.248 1.161 1.00 0.00 H new ATOM 0 HA ASP A 57 97.213 -16.883 -1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 57 94.185 -16.803 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 57 95.008 -16.037 -2.293 1.00 0.00 H new ATOM 928 N LEU A 58 96.949 -14.289 -1.035 1.00 0.00 N ATOM 929 CA LEU A 58 97.031 -12.866 -0.599 1.00 0.00 C ATOM 930 C LEU A 58 97.001 -11.922 -1.802 1.00 0.00 C ATOM 931 O LEU A 58 97.571 -12.192 -2.841 1.00 0.00 O ATOM 932 CB LEU A 58 98.328 -12.649 0.186 1.00 0.00 C ATOM 933 CG LEU A 58 99.515 -13.202 -0.610 1.00 0.00 C ATOM 934 CD1 LEU A 58 100.749 -12.331 -0.361 1.00 0.00 C ATOM 935 CD2 LEU A 58 99.812 -14.637 -0.163 1.00 0.00 C ATOM 0 H LEU A 58 97.344 -14.496 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 58 96.170 -12.648 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 58 98.472 -11.586 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 58 98.265 -13.145 1.155 1.00 0.00 H new ATOM 0 HG LEU A 58 99.269 -13.195 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 58 101.593 -12.725 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 58 100.543 -11.309 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 58 100.991 -12.338 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.656 -15.028 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 58 100.055 -14.644 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 58 98.936 -15.262 -0.339 1.00 0.00 H new ATOM 947 N HIS A 59 96.346 -10.801 -1.651 1.00 0.00 N ATOM 948 CA HIS A 59 96.275 -9.812 -2.761 1.00 0.00 C ATOM 949 C HIS A 59 96.878 -8.489 -2.281 1.00 0.00 C ATOM 950 O HIS A 59 96.591 -8.022 -1.195 1.00 0.00 O ATOM 951 CB HIS A 59 94.813 -9.590 -3.174 1.00 0.00 C ATOM 952 CG HIS A 59 93.907 -10.455 -2.341 1.00 0.00 C ATOM 953 ND1 HIS A 59 93.919 -11.801 -2.061 1.00 0.00 N flip ATOM 954 CD2 HIS A 59 92.805 -9.941 -1.672 1.00 0.00 C flip ATOM 955 CE1 HIS A 59 92.845 -12.113 -1.236 1.00 0.00 C flip ATOM 956 NE2 HIS A 59 92.205 -10.961 -1.032 1.00 0.00 N flip ATOM 0 H HIS A 59 95.855 -10.528 -0.800 1.00 0.00 H new ATOM 0 HA HIS A 59 96.831 -10.186 -3.621 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.546 -8.541 -3.047 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.685 -9.826 -4.230 1.00 0.00 H new ATOM 0 HD2 HIS A 59 92.487 -8.909 -1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 59 92.584 -13.084 -0.843 1.00 0.00 H new ATOM 0 HE2 HIS A 59 91.365 -10.865 -0.462 1.00 0.00 H new ATOM 964 N TYR A 60 97.718 -7.888 -3.078 1.00 0.00 N ATOM 965 CA TYR A 60 98.347 -6.598 -2.665 1.00 0.00 C ATOM 966 C TYR A 60 97.693 -5.443 -3.436 1.00 0.00 C ATOM 967 O TYR A 60 97.793 -5.355 -4.643 1.00 0.00 O ATOM 968 CB TYR A 60 99.847 -6.664 -2.974 1.00 0.00 C ATOM 969 CG TYR A 60 100.426 -5.274 -3.099 1.00 0.00 C ATOM 970 CD1 TYR A 60 99.933 -4.228 -2.307 1.00 0.00 C ATOM 971 CD2 TYR A 60 101.463 -5.036 -4.005 1.00 0.00 C ATOM 972 CE1 TYR A 60 100.481 -2.945 -2.426 1.00 0.00 C ATOM 973 CE2 TYR A 60 102.010 -3.754 -4.125 1.00 0.00 C ATOM 974 CZ TYR A 60 101.519 -2.709 -3.336 1.00 0.00 C ATOM 975 OH TYR A 60 102.062 -1.446 -3.452 1.00 0.00 O ATOM 0 H TYR A 60 97.997 -8.233 -3.997 1.00 0.00 H new ATOM 0 HA TYR A 60 98.204 -6.430 -1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 60 100.363 -7.209 -2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 60 100.009 -7.216 -3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 60 99.132 -4.411 -1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 60 101.843 -5.843 -4.614 1.00 0.00 H new ATOM 0 HE1 TYR A 60 100.103 -2.138 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 60 102.811 -3.572 -4.826 1.00 0.00 H new ATOM 0 HH TYR A 60 103.030 -1.491 -3.306 1.00 0.00 H new ATOM 985 N TRP A 61 97.020 -4.562 -2.747 1.00 0.00 N ATOM 986 CA TRP A 61 96.350 -3.424 -3.444 1.00 0.00 C ATOM 987 C TRP A 61 97.115 -2.125 -3.177 1.00 0.00 C ATOM 988 O TRP A 61 97.501 -1.839 -2.061 1.00 0.00 O ATOM 989 CB TRP A 61 94.919 -3.286 -2.920 1.00 0.00 C ATOM 990 CG TRP A 61 94.134 -2.403 -3.834 1.00 0.00 C ATOM 991 CD1 TRP A 61 93.294 -2.837 -4.803 1.00 0.00 C ATOM 992 CD2 TRP A 61 94.096 -0.947 -3.883 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.743 -1.741 -5.443 1.00 0.00 N ATOM 994 CE2 TRP A 61 93.207 -0.553 -4.911 1.00 0.00 C ATOM 995 CE3 TRP A 61 94.740 0.060 -3.143 1.00 0.00 C ATOM 996 CZ2 TRP A 61 92.965 0.792 -5.195 1.00 0.00 C ATOM 997 CZ3 TRP A 61 94.500 1.415 -3.425 1.00 0.00 C ATOM 998 CH2 TRP A 61 93.614 1.780 -4.449 1.00 0.00 C ATOM 0 H TRP A 61 96.904 -4.580 -1.734 1.00 0.00 H new ATOM 0 HA TRP A 61 96.336 -3.617 -4.517 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.449 -4.267 -2.854 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.928 -2.868 -1.913 1.00 0.00 H new ATOM 0 HD1 TRP A 61 93.088 -3.871 -5.038 1.00 0.00 H new ATOM 0 HE1 TRP A 61 92.076 -1.802 -6.213 1.00 0.00 H new ATOM 0 HE3 TRP A 61 95.424 -0.210 -2.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 92.282 1.067 -5.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 95.001 2.180 -2.850 1.00 0.00 H new ATOM 0 HH2 TRP A 61 93.433 2.823 -4.661 1.00 0.00 H new ATOM 1009 N LEU A 62 97.330 -1.334 -4.195 1.00 0.00 N ATOM 1010 CA LEU A 62 98.063 -0.047 -4.002 1.00 0.00 C ATOM 1011 C LEU A 62 97.205 1.111 -4.514 1.00 0.00 C ATOM 1012 O LEU A 62 96.268 0.918 -5.266 1.00 0.00 O ATOM 1013 CB LEU A 62 99.383 -0.083 -4.774 1.00 0.00 C ATOM 1014 CG LEU A 62 99.216 -0.921 -6.043 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.186 -0.419 -7.117 1.00 0.00 C ATOM 1016 CD2 LEU A 62 99.519 -2.389 -5.730 1.00 0.00 C ATOM 0 H LEU A 62 97.030 -1.523 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 62 98.270 0.093 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 62 99.691 0.930 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 62 100.170 -0.505 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 62 98.192 -0.830 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 62 100.068 -1.016 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 62 99.972 0.626 -7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.210 -0.510 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 62 99.400 -2.986 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 62 100.543 -2.480 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 62 98.830 -2.748 -4.965 1.00 0.00 H new ATOM 1028 N GLY A 63 97.515 2.315 -4.112 1.00 0.00 N ATOM 1029 CA GLY A 63 96.714 3.484 -4.574 1.00 0.00 C ATOM 1030 C GLY A 63 97.400 4.138 -5.776 1.00 0.00 C ATOM 1031 O GLY A 63 98.571 3.932 -6.026 1.00 0.00 O ATOM 0 H GLY A 63 98.287 2.538 -3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.709 3.163 -4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.609 4.207 -3.765 1.00 0.00 H new ATOM 1035 N ASN A 64 96.676 4.927 -6.523 1.00 0.00 N ATOM 1036 CA ASN A 64 97.277 5.598 -7.709 1.00 0.00 C ATOM 1037 C ASN A 64 98.027 6.854 -7.263 1.00 0.00 C ATOM 1038 O ASN A 64 98.775 7.444 -8.017 1.00 0.00 O ATOM 1039 CB ASN A 64 96.170 5.987 -8.692 1.00 0.00 C ATOM 1040 CG ASN A 64 95.821 4.784 -9.570 1.00 0.00 C ATOM 1041 OD1 ASN A 64 96.561 3.822 -9.626 1.00 0.00 O ATOM 1042 ND2 ASN A 64 94.715 4.797 -10.265 1.00 0.00 N ATOM 0 H ASN A 64 95.691 5.136 -6.361 1.00 0.00 H new ATOM 0 HA ASN A 64 97.973 4.915 -8.196 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.287 6.322 -8.148 1.00 0.00 H new ATOM 0 HB3 ASN A 64 96.497 6.821 -9.313 1.00 0.00 H new ATOM 0 HD21 ASN A 64 94.473 4.000 -10.854 1.00 0.00 H new ATOM 0 HD22 ASN A 64 94.093 5.604 -10.219 1.00 0.00 H new ATOM 1049 N GLU A 65 97.835 7.266 -6.038 1.00 0.00 N ATOM 1050 CA GLU A 65 98.537 8.477 -5.539 1.00 0.00 C ATOM 1051 C GLU A 65 99.673 8.034 -4.625 1.00 0.00 C ATOM 1052 O GLU A 65 100.046 8.715 -3.691 1.00 0.00 O ATOM 1053 CB GLU A 65 97.555 9.355 -4.758 1.00 0.00 C ATOM 1054 CG GLU A 65 96.127 9.042 -5.207 1.00 0.00 C ATOM 1055 CD GLU A 65 95.188 10.153 -4.735 1.00 0.00 C ATOM 1056 OE1 GLU A 65 95.596 10.926 -3.885 1.00 0.00 O ATOM 1057 OE2 GLU A 65 94.076 10.212 -5.234 1.00 0.00 O ATOM 0 H GLU A 65 97.220 6.813 -5.362 1.00 0.00 H new ATOM 0 HA GLU A 65 98.935 9.052 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.660 9.174 -3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.778 10.408 -4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 65 96.087 8.954 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.808 8.083 -4.798 1.00 0.00 H new ATOM 1064 N CYS A 66 100.226 6.888 -4.899 1.00 0.00 N ATOM 1065 CA CYS A 66 101.335 6.371 -4.077 1.00 0.00 C ATOM 1066 C CYS A 66 102.460 5.937 -5.005 1.00 0.00 C ATOM 1067 O CYS A 66 102.461 4.856 -5.558 1.00 0.00 O ATOM 1068 CB CYS A 66 100.850 5.180 -3.270 1.00 0.00 C ATOM 1069 SG CYS A 66 100.437 5.712 -1.590 1.00 0.00 S ATOM 0 H CYS A 66 99.947 6.283 -5.672 1.00 0.00 H new ATOM 0 HA CYS A 66 101.692 7.142 -3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 66 99.976 4.736 -3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.621 4.410 -3.239 1.00 0.00 H new ATOM 0 HG CYS A 66 100.834 6.937 -1.413 1.00 0.00 H new ATOM 1075 N SER A 67 103.404 6.789 -5.170 1.00 0.00 N ATOM 1076 CA SER A 67 104.561 6.488 -6.058 1.00 0.00 C ATOM 1077 C SER A 67 105.096 5.088 -5.751 1.00 0.00 C ATOM 1078 O SER A 67 104.613 4.405 -4.870 1.00 0.00 O ATOM 1079 CB SER A 67 105.667 7.516 -5.820 1.00 0.00 C ATOM 1080 OG SER A 67 105.080 8.793 -5.601 1.00 0.00 O ATOM 0 H SER A 67 103.436 7.705 -4.723 1.00 0.00 H new ATOM 0 HA SER A 67 104.238 6.532 -7.098 1.00 0.00 H new ATOM 0 HB2 SER A 67 106.269 7.227 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 67 106.337 7.553 -6.679 1.00 0.00 H new ATOM 0 HG SER A 67 105.786 9.455 -5.446 1.00 0.00 H new ATOM 1086 N GLN A 68 106.093 4.654 -6.475 1.00 0.00 N ATOM 1087 CA GLN A 68 106.659 3.299 -6.230 1.00 0.00 C ATOM 1088 C GLN A 68 107.211 3.225 -4.804 1.00 0.00 C ATOM 1089 O GLN A 68 107.424 2.158 -4.266 1.00 0.00 O ATOM 1090 CB GLN A 68 107.789 3.032 -7.227 1.00 0.00 C ATOM 1091 CG GLN A 68 107.204 2.466 -8.524 1.00 0.00 C ATOM 1092 CD GLN A 68 106.107 3.398 -9.039 1.00 0.00 C ATOM 1093 OE1 GLN A 68 106.253 4.689 -8.917 1.00 0.00 O flip ATOM 1094 NE2 GLN A 68 105.105 2.947 -9.559 1.00 0.00 N flip ATOM 0 H GLN A 68 106.539 5.181 -7.226 1.00 0.00 H new ATOM 0 HA GLN A 68 105.876 2.551 -6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 68 108.332 3.954 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 68 108.505 2.329 -6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 68 107.988 2.361 -9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 68 106.797 1.470 -8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 68 104.990 1.938 -9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 68 104.379 3.578 -9.900 1.00 0.00 H new ATOM 1103 N ASP A 69 107.446 4.352 -4.187 1.00 0.00 N ATOM 1104 CA ASP A 69 107.984 4.338 -2.798 1.00 0.00 C ATOM 1105 C ASP A 69 106.955 3.707 -1.863 1.00 0.00 C ATOM 1106 O ASP A 69 107.217 2.715 -1.212 1.00 0.00 O ATOM 1107 CB ASP A 69 108.275 5.771 -2.347 1.00 0.00 C ATOM 1108 CG ASP A 69 109.348 5.756 -1.256 1.00 0.00 C ATOM 1109 OD1 ASP A 69 110.174 6.654 -1.253 1.00 0.00 O ATOM 1110 OD2 ASP A 69 109.326 4.846 -0.444 1.00 0.00 O ATOM 0 H ASP A 69 107.289 5.278 -4.584 1.00 0.00 H new ATOM 0 HA ASP A 69 108.906 3.757 -2.770 1.00 0.00 H new ATOM 0 HB2 ASP A 69 108.611 6.369 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 69 107.364 6.237 -1.970 1.00 0.00 H new ATOM 1115 N GLU A 70 105.783 4.269 -1.797 1.00 0.00 N ATOM 1116 CA GLU A 70 104.734 3.694 -0.912 1.00 0.00 C ATOM 1117 C GLU A 70 104.338 2.320 -1.446 1.00 0.00 C ATOM 1118 O GLU A 70 104.212 1.363 -0.708 1.00 0.00 O ATOM 1119 CB GLU A 70 103.511 4.615 -0.900 1.00 0.00 C ATOM 1120 CG GLU A 70 103.727 5.739 0.115 1.00 0.00 C ATOM 1121 CD GLU A 70 102.617 6.781 -0.033 1.00 0.00 C ATOM 1122 OE1 GLU A 70 102.542 7.390 -1.087 1.00 0.00 O ATOM 1123 OE2 GLU A 70 101.862 6.952 0.909 1.00 0.00 O ATOM 0 H GLU A 70 105.505 5.101 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 70 105.117 3.599 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 70 103.349 5.034 -1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 70 102.617 4.046 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 70 103.728 5.334 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 70 104.700 6.204 -0.043 1.00 0.00 H new ATOM 1130 N SER A 71 104.152 2.218 -2.732 1.00 0.00 N ATOM 1131 CA SER A 71 103.777 0.908 -3.327 1.00 0.00 C ATOM 1132 C SER A 71 104.948 -0.063 -3.173 1.00 0.00 C ATOM 1133 O SER A 71 104.770 -1.265 -3.137 1.00 0.00 O ATOM 1134 CB SER A 71 103.456 1.093 -4.811 1.00 0.00 C ATOM 1135 OG SER A 71 103.822 -0.082 -5.521 1.00 0.00 O ATOM 0 H SER A 71 104.244 2.986 -3.396 1.00 0.00 H new ATOM 0 HA SER A 71 102.900 0.510 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 71 102.393 1.295 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 71 103.995 1.954 -5.207 1.00 0.00 H new ATOM 0 HG SER A 71 103.359 -0.855 -5.135 1.00 0.00 H new ATOM 1141 N GLY A 72 106.144 0.451 -3.078 1.00 0.00 N ATOM 1142 CA GLY A 72 107.327 -0.442 -2.919 1.00 0.00 C ATOM 1143 C GLY A 72 107.295 -1.073 -1.527 1.00 0.00 C ATOM 1144 O GLY A 72 107.473 -2.265 -1.371 1.00 0.00 O ATOM 0 H GLY A 72 106.353 1.449 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.317 -1.218 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.248 0.126 -3.053 1.00 0.00 H new ATOM 1148 N ALA A 73 107.063 -0.284 -0.513 1.00 0.00 N ATOM 1149 CA ALA A 73 107.013 -0.842 0.867 1.00 0.00 C ATOM 1150 C ALA A 73 105.907 -1.893 0.944 1.00 0.00 C ATOM 1151 O ALA A 73 106.094 -2.971 1.474 1.00 0.00 O ATOM 1152 CB ALA A 73 106.722 0.282 1.864 1.00 0.00 C ATOM 0 H ALA A 73 106.906 0.722 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 73 107.971 -1.300 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 73 106.686 -0.127 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 73 107.510 1.033 1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 73 105.763 0.742 1.624 1.00 0.00 H new ATOM 1158 N ALA A 74 104.757 -1.588 0.413 1.00 0.00 N ATOM 1159 CA ALA A 74 103.637 -2.569 0.450 1.00 0.00 C ATOM 1160 C ALA A 74 104.049 -3.832 -0.310 1.00 0.00 C ATOM 1161 O ALA A 74 103.910 -4.937 0.176 1.00 0.00 O ATOM 1162 CB ALA A 74 102.400 -1.956 -0.210 1.00 0.00 C ATOM 0 H ALA A 74 104.544 -0.702 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 74 103.406 -2.823 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.580 -2.674 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.110 -1.053 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.628 -1.704 -1.246 1.00 0.00 H new ATOM 1168 N ALA A 75 104.557 -3.675 -1.503 1.00 0.00 N ATOM 1169 CA ALA A 75 104.980 -4.863 -2.295 1.00 0.00 C ATOM 1170 C ALA A 75 106.110 -5.589 -1.564 1.00 0.00 C ATOM 1171 O ALA A 75 106.211 -6.799 -1.606 1.00 0.00 O ATOM 1172 CB ALA A 75 105.470 -4.408 -3.672 1.00 0.00 C ATOM 0 H ALA A 75 104.697 -2.775 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 75 104.134 -5.540 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 75 105.780 -5.276 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 75 104.664 -3.892 -4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.316 -3.731 -3.552 1.00 0.00 H new ATOM 1178 N ILE A 76 106.963 -4.862 -0.895 1.00 0.00 N ATOM 1179 CA ILE A 76 108.084 -5.517 -0.164 1.00 0.00 C ATOM 1180 C ILE A 76 107.518 -6.530 0.833 1.00 0.00 C ATOM 1181 O ILE A 76 107.879 -7.690 0.827 1.00 0.00 O ATOM 1182 CB ILE A 76 108.899 -4.454 0.581 1.00 0.00 C ATOM 1183 CG1 ILE A 76 109.898 -3.813 -0.385 1.00 0.00 C ATOM 1184 CG2 ILE A 76 109.661 -5.104 1.739 1.00 0.00 C ATOM 1185 CD1 ILE A 76 110.534 -2.586 0.274 1.00 0.00 C ATOM 0 H ILE A 76 106.932 -3.845 -0.823 1.00 0.00 H new ATOM 0 HA ILE A 76 108.731 -6.033 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 76 108.225 -3.693 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 76 110.670 -4.533 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.393 -3.523 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.239 -4.345 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 76 108.953 -5.564 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.335 -5.867 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.245 -2.131 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 76 109.757 -1.863 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.053 -2.889 1.183 1.00 0.00 H new ATOM 1197 N PHE A 77 106.634 -6.103 1.694 1.00 0.00 N ATOM 1198 CA PHE A 77 106.049 -7.047 2.688 1.00 0.00 C ATOM 1199 C PHE A 77 105.322 -8.176 1.953 1.00 0.00 C ATOM 1200 O PHE A 77 105.293 -9.305 2.404 1.00 0.00 O ATOM 1201 CB PHE A 77 105.059 -6.302 3.586 1.00 0.00 C ATOM 1202 CG PHE A 77 105.632 -4.958 3.969 1.00 0.00 C ATOM 1203 CD1 PHE A 77 104.860 -3.801 3.815 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.935 -4.867 4.473 1.00 0.00 C ATOM 1205 CE1 PHE A 77 105.388 -2.554 4.169 1.00 0.00 C ATOM 1206 CE2 PHE A 77 107.463 -3.621 4.828 1.00 0.00 C ATOM 1207 CZ PHE A 77 106.690 -2.464 4.676 1.00 0.00 C ATOM 0 H PHE A 77 106.293 -5.144 1.752 1.00 0.00 H new ATOM 0 HA PHE A 77 106.847 -7.466 3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.110 -6.169 3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.852 -6.889 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 77 103.856 -3.870 3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 77 107.533 -5.759 4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 77 104.791 -1.662 4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 77 108.467 -3.552 5.219 1.00 0.00 H new ATOM 0 HZ PHE A 77 107.098 -1.502 4.950 1.00 0.00 H new ATOM 1217 N THR A 78 104.736 -7.883 0.824 1.00 0.00 N ATOM 1218 CA THR A 78 104.016 -8.942 0.064 1.00 0.00 C ATOM 1219 C THR A 78 105.032 -9.930 -0.509 1.00 0.00 C ATOM 1220 O THR A 78 104.818 -11.127 -0.510 1.00 0.00 O ATOM 1221 CB THR A 78 103.225 -8.301 -1.078 1.00 0.00 C ATOM 1222 OG1 THR A 78 102.596 -7.116 -0.611 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.162 -9.282 -1.578 1.00 0.00 C ATOM 0 H THR A 78 104.725 -6.957 0.396 1.00 0.00 H new ATOM 0 HA THR A 78 103.330 -9.468 0.728 1.00 0.00 H new ATOM 0 HB THR A 78 103.903 -8.054 -1.895 1.00 0.00 H new ATOM 0 HG1 THR A 78 103.231 -6.371 -0.651 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.599 -8.825 -2.392 1.00 0.00 H new ATOM 0 HG22 THR A 78 102.645 -10.190 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.484 -9.530 -0.762 1.00 0.00 H new ATOM 1231 N VAL A 79 106.138 -9.437 -0.992 1.00 0.00 N ATOM 1232 CA VAL A 79 107.171 -10.345 -1.563 1.00 0.00 C ATOM 1233 C VAL A 79 107.671 -11.290 -0.473 1.00 0.00 C ATOM 1234 O VAL A 79 107.853 -12.470 -0.695 1.00 0.00 O ATOM 1235 CB VAL A 79 108.338 -9.513 -2.095 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.459 -10.443 -2.559 1.00 0.00 C ATOM 1237 CG2 VAL A 79 107.861 -8.659 -3.271 1.00 0.00 C ATOM 0 H VAL A 79 106.371 -8.444 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 79 106.739 -10.927 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 79 108.712 -8.864 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.291 -9.849 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 79 109.799 -11.050 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.087 -11.094 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 79 108.693 -8.066 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.486 -9.307 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 79 107.063 -7.995 -2.938 1.00 0.00 H new ATOM 1247 N GLN A 80 107.888 -10.782 0.707 1.00 0.00 N ATOM 1248 CA GLN A 80 108.370 -11.654 1.814 1.00 0.00 C ATOM 1249 C GLN A 80 107.340 -12.753 2.066 1.00 0.00 C ATOM 1250 O GLN A 80 107.664 -13.924 2.099 1.00 0.00 O ATOM 1251 CB GLN A 80 108.550 -10.817 3.083 1.00 0.00 C ATOM 1252 CG GLN A 80 109.814 -9.965 2.959 1.00 0.00 C ATOM 1253 CD GLN A 80 111.034 -10.800 3.355 1.00 0.00 C ATOM 1254 OE1 GLN A 80 111.509 -11.678 2.513 1.00 0.00 O flip ATOM 1255 NE2 GLN A 80 111.560 -10.653 4.440 1.00 0.00 N flip ATOM 0 H GLN A 80 107.753 -9.801 0.953 1.00 0.00 H new ATOM 0 HA GLN A 80 109.326 -12.102 1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 80 107.681 -10.177 3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 80 108.622 -11.469 3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 80 109.923 -9.605 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.738 -9.087 3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 80 111.189 -9.967 5.098 1.00 0.00 H new ATOM 0 HE22 GLN A 80 112.372 -11.215 4.693 1.00 0.00 H new ATOM 1264 N LEU A 81 106.099 -12.389 2.238 1.00 0.00 N ATOM 1265 CA LEU A 81 105.051 -13.420 2.479 1.00 0.00 C ATOM 1266 C LEU A 81 105.183 -14.518 1.424 1.00 0.00 C ATOM 1267 O LEU A 81 105.099 -15.694 1.722 1.00 0.00 O ATOM 1268 CB LEU A 81 103.664 -12.774 2.376 1.00 0.00 C ATOM 1269 CG LEU A 81 103.050 -12.638 3.770 1.00 0.00 C ATOM 1270 CD1 LEU A 81 101.893 -11.639 3.722 1.00 0.00 C ATOM 1271 CD2 LEU A 81 102.524 -14.001 4.231 1.00 0.00 C ATOM 0 H LEU A 81 105.766 -11.425 2.222 1.00 0.00 H new ATOM 0 HA LEU A 81 105.175 -13.847 3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 81 103.744 -11.793 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.017 -13.380 1.741 1.00 0.00 H new ATOM 0 HG LEU A 81 103.809 -12.284 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 81 101.455 -11.542 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 81 102.264 -10.668 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.135 -11.994 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 81 102.086 -13.905 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.765 -14.353 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 81 103.346 -14.716 4.264 1.00 0.00 H new ATOM 1283 N ASP A 82 105.392 -14.146 0.191 1.00 0.00 N ATOM 1284 CA ASP A 82 105.531 -15.168 -0.881 1.00 0.00 C ATOM 1285 C ASP A 82 106.669 -16.124 -0.526 1.00 0.00 C ATOM 1286 O ASP A 82 106.466 -17.312 -0.379 1.00 0.00 O ATOM 1287 CB ASP A 82 105.838 -14.476 -2.211 1.00 0.00 C ATOM 1288 CG ASP A 82 105.492 -15.416 -3.368 1.00 0.00 C ATOM 1289 OD1 ASP A 82 105.619 -16.616 -3.187 1.00 0.00 O ATOM 1290 OD2 ASP A 82 105.108 -14.920 -4.413 1.00 0.00 O ATOM 0 H ASP A 82 105.472 -13.178 -0.119 1.00 0.00 H new ATOM 0 HA ASP A 82 104.601 -15.729 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 82 105.264 -13.553 -2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 82 106.892 -14.201 -2.255 1.00 0.00 H new ATOM 1295 N ASP A 83 107.864 -15.621 -0.383 1.00 0.00 N ATOM 1296 CA ASP A 83 108.999 -16.518 -0.032 1.00 0.00 C ATOM 1297 C ASP A 83 108.557 -17.460 1.084 1.00 0.00 C ATOM 1298 O ASP A 83 108.936 -18.613 1.126 1.00 0.00 O ATOM 1299 CB ASP A 83 110.192 -15.682 0.438 1.00 0.00 C ATOM 1300 CG ASP A 83 111.438 -16.566 0.509 1.00 0.00 C ATOM 1301 OD1 ASP A 83 112.505 -16.080 0.171 1.00 0.00 O ATOM 1302 OD2 ASP A 83 111.304 -17.713 0.900 1.00 0.00 O ATOM 0 H ASP A 83 108.102 -14.635 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 83 109.296 -17.097 -0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.361 -14.852 -0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 83 109.984 -15.250 1.417 1.00 0.00 H new ATOM 1307 N TYR A 84 107.746 -16.979 1.984 1.00 0.00 N ATOM 1308 CA TYR A 84 107.266 -17.849 3.089 1.00 0.00 C ATOM 1309 C TYR A 84 106.197 -18.793 2.542 1.00 0.00 C ATOM 1310 O TYR A 84 106.019 -19.894 3.025 1.00 0.00 O ATOM 1311 CB TYR A 84 106.669 -16.983 4.202 1.00 0.00 C ATOM 1312 CG TYR A 84 105.914 -17.859 5.173 1.00 0.00 C ATOM 1313 CD1 TYR A 84 104.570 -17.589 5.458 1.00 0.00 C ATOM 1314 CD2 TYR A 84 106.556 -18.940 5.789 1.00 0.00 C ATOM 1315 CE1 TYR A 84 103.868 -18.401 6.359 1.00 0.00 C ATOM 1316 CE2 TYR A 84 105.855 -19.752 6.689 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.512 -19.481 6.973 1.00 0.00 C ATOM 1318 OH TYR A 84 103.819 -20.280 7.862 1.00 0.00 O ATOM 0 H TYR A 84 107.396 -16.021 2.001 1.00 0.00 H new ATOM 0 HA TYR A 84 108.097 -18.426 3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 84 107.461 -16.444 4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 84 106.001 -16.235 3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 84 104.074 -16.755 4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 84 107.593 -19.148 5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 84 102.831 -18.193 6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 84 106.350 -20.586 7.163 1.00 0.00 H new ATOM 0 HH TYR A 84 104.411 -20.985 8.198 1.00 0.00 H new ATOM 1328 N LEU A 85 105.487 -18.370 1.529 1.00 0.00 N ATOM 1329 CA LEU A 85 104.432 -19.237 0.937 1.00 0.00 C ATOM 1330 C LEU A 85 104.736 -19.469 -0.543 1.00 0.00 C ATOM 1331 O LEU A 85 103.843 -19.588 -1.359 1.00 0.00 O ATOM 1332 CB LEU A 85 103.070 -18.556 1.081 1.00 0.00 C ATOM 1333 CG LEU A 85 102.852 -18.154 2.540 1.00 0.00 C ATOM 1334 CD1 LEU A 85 101.555 -17.352 2.661 1.00 0.00 C ATOM 1335 CD2 LEU A 85 102.754 -19.413 3.405 1.00 0.00 C ATOM 0 H LEU A 85 105.595 -17.457 1.086 1.00 0.00 H new ATOM 0 HA LEU A 85 104.413 -20.194 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.022 -17.676 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 85 102.278 -19.231 0.757 1.00 0.00 H new ATOM 0 HG LEU A 85 103.689 -17.543 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.400 -17.066 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 85 101.622 -16.456 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 85 100.717 -17.962 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 85 102.599 -19.128 4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 85 101.916 -20.023 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 85 103.677 -19.986 3.320 1.00 0.00 H new ATOM 1347 N ASN A 86 105.990 -19.534 -0.900 1.00 0.00 N ATOM 1348 CA ASN A 86 106.345 -19.761 -2.329 1.00 0.00 C ATOM 1349 C ASN A 86 106.048 -21.211 -2.691 1.00 0.00 C ATOM 1350 O ASN A 86 106.636 -21.776 -3.593 1.00 0.00 O ATOM 1351 CB ASN A 86 107.833 -19.468 -2.543 1.00 0.00 C ATOM 1352 CG ASN A 86 108.662 -20.292 -1.556 1.00 0.00 C ATOM 1353 OD1 ASN A 86 109.467 -19.752 -0.824 1.00 0.00 O ATOM 1354 ND2 ASN A 86 108.498 -21.586 -1.506 1.00 0.00 N ATOM 0 H ASN A 86 106.782 -19.440 -0.265 1.00 0.00 H new ATOM 0 HA ASN A 86 105.758 -19.098 -2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 86 108.119 -19.711 -3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 86 108.029 -18.405 -2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 86 109.046 -22.145 -0.852 1.00 0.00 H new ATOM 0 HD22 ASN A 86 107.822 -22.039 -2.121 1.00 0.00 H new ATOM 1361 N GLY A 87 105.134 -21.814 -1.990 1.00 0.00 N ATOM 1362 CA GLY A 87 104.779 -23.232 -2.280 1.00 0.00 C ATOM 1363 C GLY A 87 103.750 -23.279 -3.411 1.00 0.00 C ATOM 1364 O GLY A 87 103.972 -23.883 -4.440 1.00 0.00 O ATOM 0 H GLY A 87 104.613 -21.386 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.671 -23.791 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 87 104.375 -23.707 -1.386 1.00 0.00 H new ATOM 1368 N ARG A 88 102.625 -22.641 -3.228 1.00 0.00 N ATOM 1369 CA ARG A 88 101.584 -22.650 -4.295 1.00 0.00 C ATOM 1370 C ARG A 88 100.427 -21.735 -3.889 1.00 0.00 C ATOM 1371 O ARG A 88 99.278 -22.005 -4.182 1.00 0.00 O ATOM 1372 CB ARG A 88 101.065 -24.076 -4.491 1.00 0.00 C ATOM 1373 CG ARG A 88 100.547 -24.621 -3.158 1.00 0.00 C ATOM 1374 CD ARG A 88 100.126 -26.085 -3.325 1.00 0.00 C ATOM 1375 NE ARG A 88 98.717 -26.249 -2.871 1.00 0.00 N ATOM 1376 CZ ARG A 88 97.991 -27.229 -3.334 1.00 0.00 C ATOM 1377 NH1 ARG A 88 96.757 -27.372 -2.939 1.00 0.00 N ATOM 1378 NH2 ARG A 88 98.501 -28.067 -4.196 1.00 0.00 N ATOM 0 H ARG A 88 102.383 -22.115 -2.388 1.00 0.00 H new ATOM 0 HA ARG A 88 102.018 -22.291 -5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 88 100.267 -24.085 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 88 101.862 -24.715 -4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 88 101.322 -24.540 -2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 88 99.700 -24.026 -2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 88 100.221 -26.385 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 88 100.784 -26.733 -2.746 1.00 0.00 H new ATOM 0 HE ARG A 88 98.319 -25.594 -2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 88 96.358 -26.717 -2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 88 96.191 -28.139 -3.302 1.00 0.00 H new ATOM 0 HH21 ARG A 88 99.466 -27.955 -4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 88 97.934 -28.834 -4.559 1.00 0.00 H new ATOM 1392 N ALA A 89 100.719 -20.653 -3.220 1.00 0.00 N ATOM 1393 CA ALA A 89 99.632 -19.721 -2.801 1.00 0.00 C ATOM 1394 C ALA A 89 99.213 -18.865 -3.996 1.00 0.00 C ATOM 1395 O ALA A 89 99.756 -18.987 -5.077 1.00 0.00 O ATOM 1396 CB ALA A 89 100.140 -18.813 -1.678 1.00 0.00 C ATOM 0 H ALA A 89 101.661 -20.374 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 89 98.777 -20.295 -2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.345 -18.133 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.443 -19.422 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 89 100.994 -18.237 -2.034 1.00 0.00 H new ATOM 1402 N VAL A 90 98.255 -17.996 -3.815 1.00 0.00 N ATOM 1403 CA VAL A 90 97.807 -17.132 -4.943 1.00 0.00 C ATOM 1404 C VAL A 90 98.140 -15.674 -4.628 1.00 0.00 C ATOM 1405 O VAL A 90 97.361 -14.967 -4.019 1.00 0.00 O ATOM 1406 CB VAL A 90 96.297 -17.282 -5.135 1.00 0.00 C ATOM 1407 CG1 VAL A 90 95.879 -16.610 -6.444 1.00 0.00 C ATOM 1408 CG2 VAL A 90 95.935 -18.767 -5.186 1.00 0.00 C ATOM 0 H VAL A 90 97.763 -17.848 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 90 98.318 -17.433 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 90 95.776 -16.809 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 90 94.803 -16.717 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 90 96.137 -15.552 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 90 96.399 -17.082 -7.278 1.00 0.00 H new ATOM 0 HG21 VAL A 90 94.859 -18.875 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 90 96.456 -19.240 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 90 96.232 -19.246 -4.253 1.00 0.00 H new ATOM 1418 N GLN A 91 99.291 -15.219 -5.037 1.00 0.00 N ATOM 1419 CA GLN A 91 99.674 -13.807 -4.761 1.00 0.00 C ATOM 1420 C GLN A 91 99.356 -12.952 -5.985 1.00 0.00 C ATOM 1421 O GLN A 91 99.792 -13.238 -7.083 1.00 0.00 O ATOM 1422 CB GLN A 91 101.173 -13.733 -4.459 1.00 0.00 C ATOM 1423 CG GLN A 91 101.966 -14.260 -5.659 1.00 0.00 C ATOM 1424 CD GLN A 91 102.290 -13.102 -6.607 1.00 0.00 C ATOM 1425 OE1 GLN A 91 102.047 -13.187 -7.794 1.00 0.00 O ATOM 1426 NE2 GLN A 91 102.835 -12.016 -6.128 1.00 0.00 N ATOM 0 H GLN A 91 99.983 -15.764 -5.551 1.00 0.00 H new ATOM 0 HA GLN A 91 99.115 -13.437 -3.901 1.00 0.00 H new ATOM 0 HB2 GLN A 91 101.460 -12.704 -4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.405 -14.321 -3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 91 102.887 -14.734 -5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 91 101.389 -15.022 -6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 91 103.039 -11.945 -5.131 1.00 0.00 H new ATOM 0 HE22 GLN A 91 103.057 -11.239 -6.751 1.00 0.00 H new ATOM 1435 N HIS A 92 98.600 -11.903 -5.814 1.00 0.00 N ATOM 1436 CA HIS A 92 98.262 -11.038 -6.977 1.00 0.00 C ATOM 1437 C HIS A 92 98.024 -9.608 -6.497 1.00 0.00 C ATOM 1438 O HIS A 92 97.139 -9.347 -5.706 1.00 0.00 O ATOM 1439 CB HIS A 92 97.006 -11.572 -7.670 1.00 0.00 C ATOM 1440 CG HIS A 92 95.911 -11.789 -6.658 1.00 0.00 C ATOM 1441 ND1 HIS A 92 94.635 -11.272 -6.834 1.00 0.00 N ATOM 1442 CD2 HIS A 92 95.877 -12.475 -5.466 1.00 0.00 C ATOM 1443 CE1 HIS A 92 93.893 -11.651 -5.778 1.00 0.00 C ATOM 1444 NE2 HIS A 92 94.602 -12.384 -4.918 1.00 0.00 N ATOM 0 H HIS A 92 98.203 -11.609 -4.922 1.00 0.00 H new ATOM 0 HA HIS A 92 99.089 -11.045 -7.687 1.00 0.00 H new ATOM 0 HB2 HIS A 92 96.674 -10.867 -8.432 1.00 0.00 H new ATOM 0 HB3 HIS A 92 97.232 -12.509 -8.179 1.00 0.00 H new ATOM 0 HD2 HIS A 92 96.710 -13.002 -5.025 1.00 0.00 H new ATOM 0 HE1 HIS A 92 92.853 -11.394 -5.643 1.00 0.00 H new ATOM 0 HE2 HIS A 92 94.277 -12.792 -4.042 1.00 0.00 H new ATOM 1452 N ARG A 93 98.813 -8.681 -6.963 1.00 0.00 N ATOM 1453 CA ARG A 93 98.638 -7.269 -6.524 1.00 0.00 C ATOM 1454 C ARG A 93 97.699 -6.539 -7.488 1.00 0.00 C ATOM 1455 O ARG A 93 97.825 -6.646 -8.692 1.00 0.00 O ATOM 1456 CB ARG A 93 99.999 -6.570 -6.505 1.00 0.00 C ATOM 1457 CG ARG A 93 100.425 -6.235 -7.937 1.00 0.00 C ATOM 1458 CD ARG A 93 101.910 -5.858 -7.957 1.00 0.00 C ATOM 1459 NE ARG A 93 102.135 -4.783 -8.963 1.00 0.00 N ATOM 1460 CZ ARG A 93 102.198 -5.079 -10.232 1.00 0.00 C ATOM 1461 NH1 ARG A 93 102.394 -4.136 -11.114 1.00 0.00 N ATOM 1462 NH2 ARG A 93 102.064 -6.318 -10.620 1.00 0.00 N ATOM 0 H ARG A 93 99.570 -8.840 -7.628 1.00 0.00 H new ATOM 0 HA ARG A 93 98.206 -7.253 -5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 93 99.943 -5.659 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 93 100.743 -7.213 -6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 93 100.248 -7.090 -8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 93 99.825 -5.411 -8.322 1.00 0.00 H new ATOM 0 HD2 ARG A 93 102.223 -5.519 -6.970 1.00 0.00 H new ATOM 0 HD3 ARG A 93 102.515 -6.731 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 93 102.240 -3.815 -8.660 1.00 0.00 H new ATOM 0 HH11 ARG A 93 102.498 -3.168 -10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 93 102.443 -4.368 -12.106 1.00 0.00 H new ATOM 0 HH21 ARG A 93 101.910 -7.054 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 93 102.113 -6.550 -11.612 1.00 0.00 H new ATOM 1476 N GLU A 94 96.762 -5.795 -6.965 1.00 0.00 N ATOM 1477 CA GLU A 94 95.814 -5.052 -7.846 1.00 0.00 C ATOM 1478 C GLU A 94 96.054 -3.546 -7.703 1.00 0.00 C ATOM 1479 O GLU A 94 96.564 -3.079 -6.701 1.00 0.00 O ATOM 1480 CB GLU A 94 94.377 -5.381 -7.436 1.00 0.00 C ATOM 1481 CG GLU A 94 94.033 -6.806 -7.874 1.00 0.00 C ATOM 1482 CD GLU A 94 94.014 -6.881 -9.402 1.00 0.00 C ATOM 1483 OE1 GLU A 94 95.029 -7.250 -9.971 1.00 0.00 O ATOM 1484 OE2 GLU A 94 92.986 -6.568 -9.978 1.00 0.00 O ATOM 0 H GLU A 94 96.612 -5.669 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 94 95.974 -5.347 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.265 -5.284 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.686 -4.672 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 94 94.765 -7.507 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 94 93.062 -7.096 -7.473 1.00 0.00 H new ATOM 1491 N VAL A 95 95.689 -2.783 -8.698 1.00 0.00 N ATOM 1492 CA VAL A 95 95.892 -1.311 -8.629 1.00 0.00 C ATOM 1493 C VAL A 95 94.544 -0.602 -8.781 1.00 0.00 C ATOM 1494 O VAL A 95 93.548 -1.209 -9.119 1.00 0.00 O ATOM 1495 CB VAL A 95 96.829 -0.871 -9.756 1.00 0.00 C ATOM 1496 CG1 VAL A 95 97.361 0.531 -9.461 1.00 0.00 C ATOM 1497 CG2 VAL A 95 98.001 -1.850 -9.854 1.00 0.00 C ATOM 0 H VAL A 95 95.257 -3.120 -9.559 1.00 0.00 H new ATOM 0 HA VAL A 95 96.333 -1.051 -7.667 1.00 0.00 H new ATOM 0 HB VAL A 95 96.282 -0.860 -10.699 1.00 0.00 H new ATOM 0 HG11 VAL A 95 98.028 0.843 -10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 95 96.527 1.229 -9.390 1.00 0.00 H new ATOM 0 HG13 VAL A 95 97.908 0.522 -8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 95 98.670 -1.538 -10.656 1.00 0.00 H new ATOM 0 HG22 VAL A 95 98.547 -1.860 -8.910 1.00 0.00 H new ATOM 0 HG23 VAL A 95 97.623 -2.850 -10.065 1.00 0.00 H new ATOM 1507 N GLN A 96 94.506 0.679 -8.536 1.00 0.00 N ATOM 1508 CA GLN A 96 93.223 1.426 -8.668 1.00 0.00 C ATOM 1509 C GLN A 96 92.945 1.702 -10.146 1.00 0.00 C ATOM 1510 O GLN A 96 93.788 2.205 -10.863 1.00 0.00 O ATOM 1511 CB GLN A 96 93.325 2.752 -7.911 1.00 0.00 C ATOM 1512 CG GLN A 96 91.936 3.384 -7.802 1.00 0.00 C ATOM 1513 CD GLN A 96 92.073 4.852 -7.392 1.00 0.00 C ATOM 1514 OE1 GLN A 96 92.220 5.157 -6.225 1.00 0.00 O ATOM 1515 NE2 GLN A 96 92.031 5.779 -8.308 1.00 0.00 N ATOM 0 H GLN A 96 95.308 1.241 -8.250 1.00 0.00 H new ATOM 0 HA GLN A 96 92.411 0.831 -8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.739 2.585 -6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 96 94.004 3.428 -8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 96 91.415 3.309 -8.757 1.00 0.00 H new ATOM 0 HG3 GLN A 96 91.336 2.845 -7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 96 91.908 5.523 -9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 96 92.122 6.760 -8.045 1.00 0.00 H new ATOM 1524 N GLY A 97 91.769 1.380 -10.608 1.00 0.00 N ATOM 1525 CA GLY A 97 91.437 1.624 -12.040 1.00 0.00 C ATOM 1526 C GLY A 97 91.874 0.422 -12.878 1.00 0.00 C ATOM 1527 O GLY A 97 91.789 0.435 -14.091 1.00 0.00 O ATOM 0 H GLY A 97 91.023 0.958 -10.056 1.00 0.00 H new ATOM 0 HA2 GLY A 97 90.365 1.789 -12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 97 91.937 2.527 -12.391 1.00 0.00 H new ATOM 1531 N PHE A 98 92.341 -0.617 -12.244 1.00 0.00 N ATOM 1532 CA PHE A 98 92.782 -1.821 -13.005 1.00 0.00 C ATOM 1533 C PHE A 98 92.479 -3.079 -12.189 1.00 0.00 C ATOM 1534 O PHE A 98 93.044 -4.130 -12.420 1.00 0.00 O ATOM 1535 CB PHE A 98 94.288 -1.734 -13.269 1.00 0.00 C ATOM 1536 CG PHE A 98 94.536 -0.911 -14.510 1.00 0.00 C ATOM 1537 CD1 PHE A 98 94.082 -1.367 -15.755 1.00 0.00 C ATOM 1538 CD2 PHE A 98 95.221 0.306 -14.419 1.00 0.00 C ATOM 1539 CE1 PHE A 98 94.313 -0.604 -16.906 1.00 0.00 C ATOM 1540 CE2 PHE A 98 95.454 1.068 -15.570 1.00 0.00 C ATOM 1541 CZ PHE A 98 94.999 0.612 -16.814 1.00 0.00 C ATOM 0 H PHE A 98 92.437 -0.685 -11.231 1.00 0.00 H new ATOM 0 HA PHE A 98 92.249 -1.867 -13.954 1.00 0.00 H new ATOM 0 HB2 PHE A 98 94.792 -1.283 -12.414 1.00 0.00 H new ATOM 0 HB3 PHE A 98 94.704 -2.734 -13.394 1.00 0.00 H new ATOM 0 HD1 PHE A 98 93.554 -2.307 -15.827 1.00 0.00 H new ATOM 0 HD2 PHE A 98 95.570 0.658 -13.460 1.00 0.00 H new ATOM 0 HE1 PHE A 98 93.962 -0.954 -17.865 1.00 0.00 H new ATOM 0 HE2 PHE A 98 95.984 2.006 -15.499 1.00 0.00 H new ATOM 0 HZ PHE A 98 95.178 1.199 -17.702 1.00 0.00 H new ATOM 1551 N GLU A 99 91.593 -2.981 -11.237 1.00 0.00 N ATOM 1552 CA GLU A 99 91.255 -4.172 -10.407 1.00 0.00 C ATOM 1553 C GLU A 99 90.907 -5.348 -11.323 1.00 0.00 C ATOM 1554 O GLU A 99 91.038 -5.270 -12.527 1.00 0.00 O ATOM 1555 CB GLU A 99 90.056 -3.848 -9.513 1.00 0.00 C ATOM 1556 CG GLU A 99 89.103 -2.908 -10.255 1.00 0.00 C ATOM 1557 CD GLU A 99 88.832 -3.459 -11.656 1.00 0.00 C ATOM 1558 OE1 GLU A 99 88.430 -4.606 -11.752 1.00 0.00 O ATOM 1559 OE2 GLU A 99 89.028 -2.723 -12.609 1.00 0.00 O ATOM 0 H GLU A 99 91.088 -2.128 -10.998 1.00 0.00 H new ATOM 0 HA GLU A 99 92.110 -4.436 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 99 89.537 -4.766 -9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 99 90.395 -3.383 -8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 99 88.168 -2.811 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 99 89.538 -1.911 -10.323 1.00 0.00 H new ATOM 1566 N SER A 100 90.465 -6.439 -10.760 1.00 0.00 N ATOM 1567 CA SER A 100 90.109 -7.620 -11.597 1.00 0.00 C ATOM 1568 C SER A 100 88.810 -8.240 -11.080 1.00 0.00 C ATOM 1569 O SER A 100 88.264 -7.818 -10.080 1.00 0.00 O ATOM 1570 CB SER A 100 91.231 -8.655 -11.522 1.00 0.00 C ATOM 1571 OG SER A 100 91.130 -9.540 -12.630 1.00 0.00 O ATOM 0 H SER A 100 90.335 -6.564 -9.756 1.00 0.00 H new ATOM 0 HA SER A 100 89.974 -7.303 -12.631 1.00 0.00 H new ATOM 0 HB2 SER A 100 92.201 -8.158 -11.527 1.00 0.00 H new ATOM 0 HB3 SER A 100 91.164 -9.214 -10.589 1.00 0.00 H new ATOM 0 HG SER A 100 91.850 -10.204 -12.585 1.00 0.00 H new ATOM 1577 N ALA A 101 88.308 -9.239 -11.755 1.00 0.00 N ATOM 1578 CA ALA A 101 87.044 -9.884 -11.302 1.00 0.00 C ATOM 1579 C ALA A 101 87.234 -10.439 -9.888 1.00 0.00 C ATOM 1580 O ALA A 101 86.324 -10.438 -9.084 1.00 0.00 O ATOM 1581 CB ALA A 101 86.685 -11.026 -12.255 1.00 0.00 C ATOM 0 H ALA A 101 88.719 -9.635 -12.600 1.00 0.00 H new ATOM 0 HA ALA A 101 86.240 -9.148 -11.298 1.00 0.00 H new ATOM 0 HB1 ALA A 101 85.760 -11.499 -11.924 1.00 0.00 H new ATOM 0 HB2 ALA A 101 86.551 -10.631 -13.262 1.00 0.00 H new ATOM 0 HB3 ALA A 101 87.488 -11.763 -12.258 1.00 0.00 H new ATOM 1587 N THR A 102 88.410 -10.913 -9.580 1.00 0.00 N ATOM 1588 CA THR A 102 88.655 -11.466 -8.219 1.00 0.00 C ATOM 1589 C THR A 102 88.257 -10.430 -7.169 1.00 0.00 C ATOM 1590 O THR A 102 87.575 -10.730 -6.209 1.00 0.00 O ATOM 1591 CB THR A 102 90.141 -11.805 -8.065 1.00 0.00 C ATOM 1592 OG1 THR A 102 90.605 -12.435 -9.251 1.00 0.00 O ATOM 1593 CG2 THR A 102 90.330 -12.748 -6.875 1.00 0.00 C ATOM 0 H THR A 102 89.211 -10.941 -10.211 1.00 0.00 H new ATOM 0 HA THR A 102 88.061 -12.369 -8.082 1.00 0.00 H new ATOM 0 HB THR A 102 90.708 -10.890 -7.893 1.00 0.00 H new ATOM 0 HG1 THR A 102 91.556 -12.651 -9.156 1.00 0.00 H new ATOM 0 HG21 THR A 102 91.387 -12.989 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 102 89.973 -12.263 -5.966 1.00 0.00 H new ATOM 0 HG23 THR A 102 89.765 -13.665 -7.044 1.00 0.00 H new ATOM 1601 N PHE A 103 88.677 -9.211 -7.346 1.00 0.00 N ATOM 1602 CA PHE A 103 88.327 -8.148 -6.363 1.00 0.00 C ATOM 1603 C PHE A 103 86.824 -7.858 -6.443 1.00 0.00 C ATOM 1604 O PHE A 103 86.110 -7.953 -5.463 1.00 0.00 O ATOM 1605 CB PHE A 103 89.117 -6.874 -6.688 1.00 0.00 C ATOM 1606 CG PHE A 103 89.743 -6.325 -5.427 1.00 0.00 C ATOM 1607 CD1 PHE A 103 89.385 -5.054 -4.964 1.00 0.00 C ATOM 1608 CD2 PHE A 103 90.682 -7.088 -4.724 1.00 0.00 C ATOM 1609 CE1 PHE A 103 89.965 -4.546 -3.796 1.00 0.00 C ATOM 1610 CE2 PHE A 103 91.262 -6.579 -3.556 1.00 0.00 C ATOM 1611 CZ PHE A 103 90.904 -5.308 -3.092 1.00 0.00 C ATOM 0 H PHE A 103 89.250 -8.902 -8.132 1.00 0.00 H new ATOM 0 HA PHE A 103 88.578 -8.482 -5.356 1.00 0.00 H new ATOM 0 HB2 PHE A 103 89.891 -7.093 -7.424 1.00 0.00 H new ATOM 0 HB3 PHE A 103 88.457 -6.129 -7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 103 88.661 -4.465 -5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 103 90.959 -8.069 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 103 89.688 -3.566 -3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 103 91.986 -7.168 -3.013 1.00 0.00 H new ATOM 0 HZ PHE A 103 91.352 -4.916 -2.191 1.00 0.00 H new ATOM 1621 N LEU A 104 86.339 -7.504 -7.603 1.00 0.00 N ATOM 1622 CA LEU A 104 84.886 -7.209 -7.744 1.00 0.00 C ATOM 1623 C LEU A 104 84.071 -8.420 -7.281 1.00 0.00 C ATOM 1624 O LEU A 104 82.930 -8.296 -6.888 1.00 0.00 O ATOM 1625 CB LEU A 104 84.566 -6.913 -9.211 1.00 0.00 C ATOM 1626 CG LEU A 104 85.411 -5.731 -9.691 1.00 0.00 C ATOM 1627 CD1 LEU A 104 85.578 -5.805 -11.209 1.00 0.00 C ATOM 1628 CD2 LEU A 104 84.713 -4.421 -9.319 1.00 0.00 C ATOM 0 H LEU A 104 86.887 -7.407 -8.458 1.00 0.00 H new ATOM 0 HA LEU A 104 84.631 -6.343 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 104 84.770 -7.792 -9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 104 83.506 -6.685 -9.324 1.00 0.00 H new ATOM 0 HG LEU A 104 86.391 -5.769 -9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 104 86.180 -4.963 -11.550 1.00 0.00 H new ATOM 0 HD12 LEU A 104 86.075 -6.738 -11.475 1.00 0.00 H new ATOM 0 HD13 LEU A 104 84.598 -5.767 -11.685 1.00 0.00 H new ATOM 0 HD21 LEU A 104 85.314 -3.579 -9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 104 83.733 -4.383 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 104 84.594 -4.367 -8.237 1.00 0.00 H new ATOM 1640 N GLY A 105 84.652 -9.587 -7.322 1.00 0.00 N ATOM 1641 CA GLY A 105 83.911 -10.804 -6.884 1.00 0.00 C ATOM 1642 C GLY A 105 84.036 -10.962 -5.368 1.00 0.00 C ATOM 1643 O GLY A 105 83.158 -11.485 -4.713 1.00 0.00 O ATOM 0 H GLY A 105 85.607 -9.751 -7.640 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.861 -10.724 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 105 84.310 -11.685 -7.386 1.00 0.00 H new ATOM 1647 N TYR A 106 85.123 -10.510 -4.803 1.00 0.00 N ATOM 1648 CA TYR A 106 85.302 -10.635 -3.328 1.00 0.00 C ATOM 1649 C TYR A 106 84.347 -9.672 -2.620 1.00 0.00 C ATOM 1650 O TYR A 106 83.896 -9.925 -1.521 1.00 0.00 O ATOM 1651 CB TYR A 106 86.747 -10.289 -2.958 1.00 0.00 C ATOM 1652 CG TYR A 106 87.597 -11.536 -3.013 1.00 0.00 C ATOM 1653 CD1 TYR A 106 87.380 -12.489 -4.017 1.00 0.00 C ATOM 1654 CD2 TYR A 106 88.601 -11.741 -2.059 1.00 0.00 C ATOM 1655 CE1 TYR A 106 88.168 -13.645 -4.068 1.00 0.00 C ATOM 1656 CE2 TYR A 106 89.389 -12.897 -2.110 1.00 0.00 C ATOM 1657 CZ TYR A 106 89.173 -13.849 -3.114 1.00 0.00 C ATOM 1658 OH TYR A 106 89.949 -14.989 -3.164 1.00 0.00 O ATOM 0 H TYR A 106 85.893 -10.060 -5.298 1.00 0.00 H new ATOM 0 HA TYR A 106 85.085 -11.657 -3.018 1.00 0.00 H new ATOM 0 HB2 TYR A 106 87.139 -9.539 -3.645 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.783 -9.856 -1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.604 -12.332 -4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 106 88.768 -11.008 -1.284 1.00 0.00 H new ATOM 0 HE1 TYR A 106 88.001 -14.379 -4.842 1.00 0.00 H new ATOM 0 HE2 TYR A 106 90.164 -13.055 -1.375 1.00 0.00 H new ATOM 0 HH TYR A 106 90.839 -14.795 -2.803 1.00 0.00 H new ATOM 1668 N PHE A 107 84.035 -8.568 -3.243 1.00 0.00 N ATOM 1669 CA PHE A 107 83.111 -7.590 -2.610 1.00 0.00 C ATOM 1670 C PHE A 107 82.151 -7.039 -3.666 1.00 0.00 C ATOM 1671 O PHE A 107 82.512 -6.207 -4.475 1.00 0.00 O ATOM 1672 CB PHE A 107 83.918 -6.439 -2.004 1.00 0.00 C ATOM 1673 CG PHE A 107 85.097 -6.998 -1.244 1.00 0.00 C ATOM 1674 CD1 PHE A 107 84.888 -7.767 -0.094 1.00 0.00 C ATOM 1675 CD2 PHE A 107 86.400 -6.746 -1.689 1.00 0.00 C ATOM 1676 CE1 PHE A 107 85.980 -8.285 0.612 1.00 0.00 C ATOM 1677 CE2 PHE A 107 87.493 -7.263 -0.983 1.00 0.00 C ATOM 1678 CZ PHE A 107 87.283 -8.033 0.167 1.00 0.00 C ATOM 0 H PHE A 107 84.382 -8.303 -4.165 1.00 0.00 H new ATOM 0 HA PHE A 107 82.542 -8.086 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 107 84.263 -5.769 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 107 83.288 -5.850 -1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 107 83.883 -7.961 0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.562 -6.153 -2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 107 85.817 -8.879 1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 107 88.498 -7.068 -1.326 1.00 0.00 H new ATOM 0 HZ PHE A 107 88.126 -8.433 0.711 1.00 0.00 H new ATOM 1688 N LYS A 108 80.928 -7.498 -3.668 1.00 0.00 N ATOM 1689 CA LYS A 108 79.946 -7.001 -4.674 1.00 0.00 C ATOM 1690 C LYS A 108 78.999 -5.999 -4.012 1.00 0.00 C ATOM 1691 O LYS A 108 78.144 -5.422 -4.654 1.00 0.00 O ATOM 1692 CB LYS A 108 79.137 -8.180 -5.220 1.00 0.00 C ATOM 1693 CG LYS A 108 78.337 -8.822 -4.084 1.00 0.00 C ATOM 1694 CD LYS A 108 77.636 -10.081 -4.599 1.00 0.00 C ATOM 1695 CE LYS A 108 76.291 -9.699 -5.224 1.00 0.00 C ATOM 1696 NZ LYS A 108 75.889 -10.741 -6.210 1.00 0.00 N ATOM 0 H LYS A 108 80.567 -8.195 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 108 80.478 -6.513 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 108 78.463 -7.839 -6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 108 79.804 -8.915 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 108 79.000 -9.075 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 108 77.602 -8.116 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 108 78.262 -10.582 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 108 77.482 -10.784 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 108 75.531 -9.604 -4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 108 76.368 -8.729 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 74.976 -10.483 -6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 76.611 -10.810 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 75.800 -11.658 -5.728 1.00 0.00 H new ATOM 1710 N SER A 109 79.144 -5.784 -2.733 1.00 0.00 N ATOM 1711 CA SER A 109 78.252 -4.818 -2.034 1.00 0.00 C ATOM 1712 C SER A 109 78.526 -3.404 -2.551 1.00 0.00 C ATOM 1713 O SER A 109 77.743 -2.497 -2.352 1.00 0.00 O ATOM 1714 CB SER A 109 78.520 -4.872 -0.531 1.00 0.00 C ATOM 1715 OG SER A 109 79.913 -5.049 -0.308 1.00 0.00 O ATOM 0 H SER A 109 79.842 -6.236 -2.142 1.00 0.00 H new ATOM 0 HA SER A 109 77.212 -5.080 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 109 78.178 -3.953 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 109 77.961 -5.691 -0.079 1.00 0.00 H new ATOM 0 HG SER A 109 80.088 -5.082 0.656 1.00 0.00 H new ATOM 1721 N GLY A 110 79.634 -3.209 -3.213 1.00 0.00 N ATOM 1722 CA GLY A 110 79.961 -1.853 -3.742 1.00 0.00 C ATOM 1723 C GLY A 110 81.028 -1.206 -2.859 1.00 0.00 C ATOM 1724 O GLY A 110 80.724 -0.507 -1.912 1.00 0.00 O ATOM 0 H GLY A 110 80.328 -3.930 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 110 80.320 -1.928 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 110 79.065 -1.233 -3.762 1.00 0.00 H new ATOM 1728 N LEU A 111 82.277 -1.430 -3.161 1.00 0.00 N ATOM 1729 CA LEU A 111 83.363 -0.828 -2.339 1.00 0.00 C ATOM 1730 C LEU A 111 83.399 0.685 -2.574 1.00 0.00 C ATOM 1731 O LEU A 111 83.317 1.150 -3.693 1.00 0.00 O ATOM 1732 CB LEU A 111 84.708 -1.442 -2.738 1.00 0.00 C ATOM 1733 CG LEU A 111 84.650 -1.897 -4.200 1.00 0.00 C ATOM 1734 CD1 LEU A 111 86.054 -1.849 -4.806 1.00 0.00 C ATOM 1735 CD2 LEU A 111 84.116 -3.330 -4.268 1.00 0.00 C ATOM 0 H LEU A 111 82.592 -2.005 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 111 83.175 -1.027 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 111 85.507 -0.712 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 111 84.939 -2.289 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 111 83.989 -1.235 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 111 86.013 -2.173 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 111 86.436 -0.829 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 111 86.715 -2.511 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 111 84.075 -3.654 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 111 84.777 -3.992 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 111 83.116 -3.366 -3.837 1.00 0.00 H new ATOM 1747 N LYS A 112 83.521 1.454 -1.527 1.00 0.00 N ATOM 1748 CA LYS A 112 83.560 2.934 -1.691 1.00 0.00 C ATOM 1749 C LYS A 112 85.009 3.392 -1.872 1.00 0.00 C ATOM 1750 O LYS A 112 85.917 2.872 -1.254 1.00 0.00 O ATOM 1751 CB LYS A 112 82.964 3.602 -0.450 1.00 0.00 C ATOM 1752 CG LYS A 112 81.445 3.709 -0.605 1.00 0.00 C ATOM 1753 CD LYS A 112 80.870 4.523 0.556 1.00 0.00 C ATOM 1754 CE LYS A 112 79.454 4.983 0.209 1.00 0.00 C ATOM 1755 NZ LYS A 112 79.028 6.046 1.165 1.00 0.00 N ATOM 0 H LYS A 112 83.595 1.121 -0.566 1.00 0.00 H new ATOM 0 HA LYS A 112 82.979 3.216 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 112 83.209 3.023 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 112 83.397 4.593 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 112 81.198 4.185 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 112 80.999 2.714 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 112 80.855 3.920 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 112 81.504 5.386 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 112 79.424 5.364 -0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 112 78.765 4.140 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 78.065 6.359 0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 79.042 5.668 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 79.680 6.853 1.100 1.00 0.00 H new ATOM 1769 N TYR A 113 85.233 4.364 -2.714 1.00 0.00 N ATOM 1770 CA TYR A 113 86.621 4.860 -2.936 1.00 0.00 C ATOM 1771 C TYR A 113 86.790 6.220 -2.258 1.00 0.00 C ATOM 1772 O TYR A 113 86.207 7.206 -2.669 1.00 0.00 O ATOM 1773 CB TYR A 113 86.877 5.005 -4.437 1.00 0.00 C ATOM 1774 CG TYR A 113 86.739 3.658 -5.107 1.00 0.00 C ATOM 1775 CD1 TYR A 113 87.873 3.003 -5.600 1.00 0.00 C ATOM 1776 CD2 TYR A 113 85.477 3.068 -5.234 1.00 0.00 C ATOM 1777 CE1 TYR A 113 87.744 1.755 -6.221 1.00 0.00 C ATOM 1778 CE2 TYR A 113 85.348 1.820 -5.855 1.00 0.00 C ATOM 1779 CZ TYR A 113 86.481 1.163 -6.349 1.00 0.00 C ATOM 1780 OH TYR A 113 86.355 -0.067 -6.962 1.00 0.00 O ATOM 0 H TYR A 113 84.512 4.837 -3.259 1.00 0.00 H new ATOM 0 HA TYR A 113 87.332 4.151 -2.513 1.00 0.00 H new ATOM 0 HB2 TYR A 113 86.170 5.712 -4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 113 87.875 5.407 -4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 113 88.847 3.460 -5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 113 84.603 3.575 -4.853 1.00 0.00 H new ATOM 0 HE1 TYR A 113 88.619 1.248 -6.602 1.00 0.00 H new ATOM 0 HE2 TYR A 113 84.374 1.364 -5.953 1.00 0.00 H new ATOM 0 HH TYR A 113 85.412 -0.335 -6.967 1.00 0.00 H new ATOM 1790 N LYS A 114 87.583 6.286 -1.223 1.00 0.00 N ATOM 1791 CA LYS A 114 87.787 7.585 -0.523 1.00 0.00 C ATOM 1792 C LYS A 114 89.031 8.277 -1.086 1.00 0.00 C ATOM 1793 O LYS A 114 89.997 7.636 -1.447 1.00 0.00 O ATOM 1794 CB LYS A 114 87.976 7.333 0.975 1.00 0.00 C ATOM 1795 CG LYS A 114 86.612 7.096 1.628 1.00 0.00 C ATOM 1796 CD LYS A 114 86.776 7.042 3.148 1.00 0.00 C ATOM 1797 CE LYS A 114 85.431 6.705 3.794 1.00 0.00 C ATOM 1798 NZ LYS A 114 84.325 7.124 2.888 1.00 0.00 N ATOM 0 H LYS A 114 88.098 5.497 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 114 86.916 8.222 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 114 88.621 6.468 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 114 88.470 8.187 1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 114 85.922 7.894 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 114 86.180 6.163 1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 114 87.519 6.292 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 114 87.140 8.000 3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 114 85.368 5.635 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 114 85.340 7.212 4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 83.424 7.102 3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 84.504 8.090 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 84.274 6.473 2.078 1.00 0.00 H new ATOM 1812 N LYS A 115 89.013 9.578 -1.163 1.00 0.00 N ATOM 1813 CA LYS A 115 90.195 10.310 -1.704 1.00 0.00 C ATOM 1814 C LYS A 115 90.459 11.553 -0.854 1.00 0.00 C ATOM 1815 O LYS A 115 89.549 12.263 -0.473 1.00 0.00 O ATOM 1816 CB LYS A 115 89.916 10.729 -3.149 1.00 0.00 C ATOM 1817 CG LYS A 115 89.049 9.669 -3.831 1.00 0.00 C ATOM 1818 CD LYS A 115 88.863 10.029 -5.307 1.00 0.00 C ATOM 1819 CE LYS A 115 87.673 10.979 -5.457 1.00 0.00 C ATOM 1820 NZ LYS A 115 86.408 10.190 -5.481 1.00 0.00 N ATOM 0 H LYS A 115 88.232 10.167 -0.875 1.00 0.00 H new ATOM 0 HA LYS A 115 91.069 9.660 -1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 115 89.410 11.694 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 115 90.854 10.850 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 115 89.518 8.689 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 115 88.079 9.605 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 115 89.767 10.499 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 115 88.697 9.126 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 115 87.655 11.690 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 115 87.770 11.559 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 85.598 10.835 -5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 86.427 9.528 -6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 86.315 9.656 -4.594 1.00 0.00 H new ATOM 1834 N GLY A 116 91.700 11.826 -0.554 1.00 0.00 N ATOM 1835 CA GLY A 116 92.022 13.026 0.270 1.00 0.00 C ATOM 1836 C GLY A 116 91.621 12.771 1.725 1.00 0.00 C ATOM 1837 O GLY A 116 90.459 12.614 2.039 1.00 0.00 O ATOM 0 H GLY A 116 92.505 11.270 -0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 116 93.088 13.246 0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 116 91.494 13.898 -0.116 1.00 0.00 H new ATOM 1841 N GLY A 117 92.576 12.728 2.614 1.00 0.00 N ATOM 1842 CA GLY A 117 92.249 12.484 4.047 1.00 0.00 C ATOM 1843 C GLY A 117 92.255 13.811 4.807 1.00 0.00 C ATOM 1844 O GLY A 117 93.167 14.107 5.552 1.00 0.00 O ATOM 0 H GLY A 117 93.568 12.851 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 117 91.272 12.009 4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 117 92.975 11.799 4.485 1.00 0.00 H new ATOM 1848 N VAL A 118 91.243 14.615 4.622 1.00 0.00 N ATOM 1849 CA VAL A 118 91.193 15.923 5.334 1.00 0.00 C ATOM 1850 C VAL A 118 91.183 15.682 6.846 1.00 0.00 C ATOM 1851 O VAL A 118 90.143 15.555 7.458 1.00 0.00 O ATOM 1852 CB VAL A 118 89.922 16.674 4.931 1.00 0.00 C ATOM 1853 CG1 VAL A 118 89.810 17.963 5.746 1.00 0.00 C ATOM 1854 CG2 VAL A 118 89.987 17.019 3.441 1.00 0.00 C ATOM 0 H VAL A 118 90.450 14.423 4.010 1.00 0.00 H new ATOM 0 HA VAL A 118 92.068 16.516 5.066 1.00 0.00 H new ATOM 0 HB VAL A 118 89.052 16.046 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 118 88.905 18.498 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 118 89.766 17.720 6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 118 90.679 18.592 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 118 89.083 17.554 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 118 90.857 17.647 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 118 90.068 16.101 2.858 1.00 0.00 H new ATOM 1864 N ALA A 119 92.338 15.621 7.451 1.00 0.00 N ATOM 1865 CA ALA A 119 92.395 15.388 8.922 1.00 0.00 C ATOM 1866 C ALA A 119 93.850 15.448 9.391 1.00 0.00 C ATOM 1867 O ALA A 119 94.675 14.650 8.992 1.00 0.00 O ATOM 1868 CB ALA A 119 91.812 14.011 9.243 1.00 0.00 C ATOM 0 H ALA A 119 93.243 15.722 6.991 1.00 0.00 H new ATOM 0 HA ALA A 119 91.816 16.156 9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 119 91.853 13.840 10.319 1.00 0.00 H new ATOM 0 HB2 ALA A 119 90.776 13.968 8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 119 92.391 13.242 8.731 1.00 0.00 H new ATOM 1874 N SER A 120 94.172 16.389 10.236 1.00 0.00 N ATOM 1875 CA SER A 120 95.574 16.499 10.730 1.00 0.00 C ATOM 1876 C SER A 120 95.734 15.661 12.000 1.00 0.00 C ATOM 1877 O SER A 120 96.635 15.876 12.786 1.00 0.00 O ATOM 1878 CB SER A 120 95.891 17.961 11.041 1.00 0.00 C ATOM 1879 OG SER A 120 95.809 18.726 9.846 1.00 0.00 O ATOM 0 H SER A 120 93.525 17.086 10.605 1.00 0.00 H new ATOM 0 HA SER A 120 96.259 16.134 9.965 1.00 0.00 H new ATOM 0 HB2 SER A 120 95.191 18.347 11.782 1.00 0.00 H new ATOM 0 HB3 SER A 120 96.889 18.045 11.472 1.00 0.00 H new ATOM 0 HG SER A 120 96.010 19.664 10.044 1.00 0.00 H new ATOM 1885 N GLY A 121 94.868 14.707 12.206 1.00 0.00 N ATOM 1886 CA GLY A 121 94.973 13.856 13.425 1.00 0.00 C ATOM 1887 C GLY A 121 96.188 12.937 13.305 1.00 0.00 C ATOM 1888 O GLY A 121 96.099 11.837 12.796 1.00 0.00 O ATOM 0 H GLY A 121 94.093 14.480 11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 121 95.065 14.483 14.312 1.00 0.00 H new ATOM 0 HA3 GLY A 121 94.066 13.263 13.546 1.00 0.00 H new ATOM 1892 N PHE A 122 97.327 13.378 13.768 1.00 0.00 N ATOM 1893 CA PHE A 122 98.548 12.529 13.680 1.00 0.00 C ATOM 1894 C PHE A 122 99.704 13.221 14.404 1.00 0.00 C ATOM 1895 O PHE A 122 100.043 14.351 14.112 1.00 0.00 O ATOM 1896 CB PHE A 122 98.917 12.319 12.210 1.00 0.00 C ATOM 1897 CG PHE A 122 100.280 11.675 12.119 1.00 0.00 C ATOM 1898 CD1 PHE A 122 101.312 12.317 11.426 1.00 0.00 C ATOM 1899 CD2 PHE A 122 100.510 10.437 12.729 1.00 0.00 C ATOM 1900 CE1 PHE A 122 102.576 11.719 11.342 1.00 0.00 C ATOM 1901 CE2 PHE A 122 101.775 9.840 12.647 1.00 0.00 C ATOM 1902 CZ PHE A 122 102.806 10.481 11.952 1.00 0.00 C ATOM 0 H PHE A 122 97.464 14.290 14.203 1.00 0.00 H new ATOM 0 HA PHE A 122 98.354 11.563 14.147 1.00 0.00 H new ATOM 0 HB2 PHE A 122 98.172 11.689 11.724 1.00 0.00 H new ATOM 0 HB3 PHE A 122 98.919 13.274 11.685 1.00 0.00 H new ATOM 0 HD1 PHE A 122 101.134 13.273 10.956 1.00 0.00 H new ATOM 0 HD2 PHE A 122 99.713 9.942 13.263 1.00 0.00 H new ATOM 0 HE1 PHE A 122 103.373 12.214 10.806 1.00 0.00 H new ATOM 0 HE2 PHE A 122 101.954 8.886 13.120 1.00 0.00 H new ATOM 0 HZ PHE A 122 103.780 10.020 11.886 1.00 0.00 H new ATOM 1912 N LYS A 123 100.311 12.552 15.346 1.00 0.00 N ATOM 1913 CA LYS A 123 101.446 13.170 16.091 1.00 0.00 C ATOM 1914 C LYS A 123 102.615 12.184 16.147 1.00 0.00 C ATOM 1915 O LYS A 123 102.434 10.987 16.061 1.00 0.00 O ATOM 1916 CB LYS A 123 100.997 13.511 17.513 1.00 0.00 C ATOM 1917 CG LYS A 123 100.068 12.411 18.033 1.00 0.00 C ATOM 1918 CD LYS A 123 99.892 12.564 19.545 1.00 0.00 C ATOM 1919 CE LYS A 123 99.085 11.382 20.087 1.00 0.00 C ATOM 1920 NZ LYS A 123 97.644 11.571 19.759 1.00 0.00 N ATOM 0 H LYS A 123 100.070 11.603 15.633 1.00 0.00 H new ATOM 0 HA LYS A 123 101.763 14.081 15.582 1.00 0.00 H new ATOM 0 HB2 LYS A 123 101.864 13.608 18.166 1.00 0.00 H new ATOM 0 HB3 LYS A 123 100.482 14.471 17.523 1.00 0.00 H new ATOM 0 HG2 LYS A 123 99.100 12.472 17.535 1.00 0.00 H new ATOM 0 HG3 LYS A 123 100.483 11.430 17.802 1.00 0.00 H new ATOM 0 HD2 LYS A 123 100.866 12.607 20.033 1.00 0.00 H new ATOM 0 HD3 LYS A 123 99.381 13.500 19.770 1.00 0.00 H new ATOM 0 HE2 LYS A 123 99.448 10.451 19.653 1.00 0.00 H new ATOM 0 HE3 LYS A 123 99.216 11.303 21.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 97.094 10.776 20.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 97.306 12.460 20.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 97.525 11.609 18.727 1.00 0.00 H new ATOM 1934 N HIS A 124 103.814 12.680 16.292 1.00 0.00 N ATOM 1935 CA HIS A 124 104.994 11.772 16.353 1.00 0.00 C ATOM 1936 C HIS A 124 105.376 11.529 17.814 1.00 0.00 C ATOM 1937 O HIS A 124 105.598 12.455 18.570 1.00 0.00 O ATOM 1938 CB HIS A 124 106.171 12.415 15.617 1.00 0.00 C ATOM 1939 CG HIS A 124 107.286 11.415 15.485 1.00 0.00 C ATOM 1940 ND1 HIS A 124 107.049 10.072 15.225 1.00 0.00 N ATOM 1941 CD2 HIS A 124 108.650 11.544 15.574 1.00 0.00 C ATOM 1942 CE1 HIS A 124 108.242 9.453 15.167 1.00 0.00 C ATOM 1943 NE2 HIS A 124 109.247 10.306 15.373 1.00 0.00 N ATOM 0 H HIS A 124 104.027 13.674 16.371 1.00 0.00 H new ATOM 0 HA HIS A 124 104.746 10.822 15.880 1.00 0.00 H new ATOM 0 HB2 HIS A 124 105.855 12.756 14.631 1.00 0.00 H new ATOM 0 HB3 HIS A 124 106.518 13.293 16.161 1.00 0.00 H new ATOM 0 HD2 HIS A 124 109.177 12.466 15.770 1.00 0.00 H new ATOM 0 HE1 HIS A 124 108.370 8.398 14.977 1.00 0.00 H new ATOM 0 HE2 HIS A 124 110.245 10.094 15.381 1.00 0.00 H new ATOM 1951 N VAL A 125 105.454 10.292 18.218 1.00 0.00 N ATOM 1952 CA VAL A 125 105.822 9.991 19.631 1.00 0.00 C ATOM 1953 C VAL A 125 107.253 10.465 19.896 1.00 0.00 C ATOM 1954 O VAL A 125 108.178 10.100 19.197 1.00 0.00 O ATOM 1955 CB VAL A 125 105.732 8.484 19.873 1.00 0.00 C ATOM 1956 CG1 VAL A 125 106.113 8.174 21.322 1.00 0.00 C ATOM 1957 CG2 VAL A 125 104.299 8.011 19.611 1.00 0.00 C ATOM 0 H VAL A 125 105.279 9.476 17.632 1.00 0.00 H new ATOM 0 HA VAL A 125 105.136 10.508 20.303 1.00 0.00 H new ATOM 0 HB VAL A 125 106.416 7.967 19.200 1.00 0.00 H new ATOM 0 HG11 VAL A 125 106.048 7.099 21.493 1.00 0.00 H new ATOM 0 HG12 VAL A 125 107.132 8.511 21.510 1.00 0.00 H new ATOM 0 HG13 VAL A 125 105.430 8.691 21.996 1.00 0.00 H new ATOM 0 HG21 VAL A 125 104.233 6.937 19.783 1.00 0.00 H new ATOM 0 HG22 VAL A 125 103.616 8.529 20.284 1.00 0.00 H new ATOM 0 HG23 VAL A 125 104.026 8.230 18.579 1.00 0.00 H new ATOM 1967 N VAL A 126 107.444 11.276 20.900 1.00 0.00 N ATOM 1968 CA VAL A 126 108.815 11.772 21.207 1.00 0.00 C ATOM 1969 C VAL A 126 109.446 10.891 22.289 1.00 0.00 C ATOM 1970 O VAL A 126 108.757 10.286 23.087 1.00 0.00 O ATOM 1971 CB VAL A 126 108.732 13.217 21.709 1.00 0.00 C ATOM 1972 CG1 VAL A 126 108.749 14.174 20.515 1.00 0.00 C ATOM 1973 CG2 VAL A 126 107.433 13.407 22.495 1.00 0.00 C ATOM 0 H VAL A 126 106.710 11.617 21.521 1.00 0.00 H new ATOM 0 HA VAL A 126 109.427 11.734 20.306 1.00 0.00 H new ATOM 0 HB VAL A 126 109.584 13.428 22.355 1.00 0.00 H new ATOM 0 HG11 VAL A 126 108.690 15.202 20.872 1.00 0.00 H new ATOM 0 HG12 VAL A 126 109.673 14.038 19.953 1.00 0.00 H new ATOM 0 HG13 VAL A 126 107.896 13.965 19.869 1.00 0.00 H new ATOM 0 HG21 VAL A 126 107.372 14.435 22.853 1.00 0.00 H new ATOM 0 HG22 VAL A 126 106.582 13.197 21.847 1.00 0.00 H new ATOM 0 HG23 VAL A 126 107.419 12.725 23.345 1.00 0.00 H new ATOM 1983 N PRO A 127 110.751 10.822 22.316 1.00 0.00 N ATOM 1984 CA PRO A 127 111.494 10.001 23.317 1.00 0.00 C ATOM 1985 C PRO A 127 111.417 10.599 24.726 1.00 0.00 C ATOM 1986 O PRO A 127 112.164 11.491 25.074 1.00 0.00 O ATOM 1987 CB PRO A 127 112.938 10.018 22.807 1.00 0.00 C ATOM 1988 CG PRO A 127 113.051 11.253 21.974 1.00 0.00 C ATOM 1989 CD PRO A 127 111.661 11.518 21.393 1.00 0.00 C ATOM 0 HA PRO A 127 111.078 8.998 23.406 1.00 0.00 H new ATOM 0 HB2 PRO A 127 113.647 10.037 23.635 1.00 0.00 H new ATOM 0 HB3 PRO A 127 113.158 9.127 22.219 1.00 0.00 H new ATOM 0 HG2 PRO A 127 113.386 12.097 22.577 1.00 0.00 H new ATOM 0 HG3 PRO A 127 113.784 11.118 21.179 1.00 0.00 H new ATOM 0 HD2 PRO A 127 111.444 12.585 21.348 1.00 0.00 H new ATOM 0 HD3 PRO A 127 111.572 11.131 20.378 1.00 0.00 H new ATOM 1997 N ASN A 128 110.518 10.113 25.538 1.00 0.00 N ATOM 1998 CA ASN A 128 110.395 10.652 26.921 1.00 0.00 C ATOM 1999 C ASN A 128 110.492 12.180 26.885 1.00 0.00 C ATOM 2000 O ASN A 128 110.358 12.794 25.846 1.00 0.00 O ATOM 2001 CB ASN A 128 111.523 10.091 27.791 1.00 0.00 C ATOM 2002 CG ASN A 128 111.145 8.690 28.275 1.00 0.00 C ATOM 2003 OD1 ASN A 128 110.156 8.131 27.844 1.00 0.00 O ATOM 2004 ND2 ASN A 128 111.895 8.096 29.163 1.00 0.00 N ATOM 0 H ASN A 128 109.864 9.366 25.303 1.00 0.00 H new ATOM 0 HA ASN A 128 109.432 10.358 27.340 1.00 0.00 H new ATOM 0 HB2 ASN A 128 112.451 10.052 27.221 1.00 0.00 H new ATOM 0 HB3 ASN A 128 111.699 10.747 28.644 1.00 0.00 H new ATOM 0 HD21 ASN A 128 111.651 7.163 29.495 1.00 0.00 H new ATOM 0 HD22 ASN A 128 112.725 8.565 29.525 1.00 0.00 H new ATOM 2011 N GLU A 129 110.723 12.794 28.011 1.00 0.00 N ATOM 2012 CA GLU A 129 110.828 14.281 28.042 1.00 0.00 C ATOM 2013 C GLU A 129 112.195 14.707 27.505 1.00 0.00 C ATOM 2014 O GLU A 129 113.110 13.912 27.406 1.00 0.00 O ATOM 2015 CB GLU A 129 110.670 14.776 29.481 1.00 0.00 C ATOM 2016 CG GLU A 129 109.396 14.184 30.088 1.00 0.00 C ATOM 2017 CD GLU A 129 109.699 12.798 30.663 1.00 0.00 C ATOM 2018 OE1 GLU A 129 110.811 12.332 30.478 1.00 0.00 O ATOM 2019 OE2 GLU A 129 108.814 12.229 31.281 1.00 0.00 O ATOM 0 H GLU A 129 110.844 12.331 28.912 1.00 0.00 H new ATOM 0 HA GLU A 129 110.042 14.712 27.422 1.00 0.00 H new ATOM 0 HB2 GLU A 129 111.537 14.485 30.074 1.00 0.00 H new ATOM 0 HB3 GLU A 129 110.622 15.865 29.499 1.00 0.00 H new ATOM 0 HG2 GLU A 129 109.016 14.839 30.872 1.00 0.00 H new ATOM 0 HG3 GLU A 129 108.618 14.112 29.328 1.00 0.00 H new ATOM 2026 N VAL A 130 112.345 15.956 27.156 1.00 0.00 N ATOM 2027 CA VAL A 130 113.653 16.430 26.627 1.00 0.00 C ATOM 2028 C VAL A 130 114.654 16.551 27.778 1.00 0.00 C ATOM 2029 O VAL A 130 115.707 17.140 27.639 1.00 0.00 O ATOM 2030 CB VAL A 130 113.469 17.797 25.963 1.00 0.00 C ATOM 2031 CG1 VAL A 130 114.781 18.229 25.305 1.00 0.00 C ATOM 2032 CG2 VAL A 130 112.373 17.700 24.900 1.00 0.00 C ATOM 0 H VAL A 130 111.617 16.668 27.215 1.00 0.00 H new ATOM 0 HA VAL A 130 114.029 15.718 25.893 1.00 0.00 H new ATOM 0 HB VAL A 130 113.184 18.532 26.716 1.00 0.00 H new ATOM 0 HG11 VAL A 130 114.648 19.202 24.833 1.00 0.00 H new ATOM 0 HG12 VAL A 130 115.563 18.297 26.062 1.00 0.00 H new ATOM 0 HG13 VAL A 130 115.068 17.496 24.551 1.00 0.00 H new ATOM 0 HG21 VAL A 130 112.240 18.672 24.425 1.00 0.00 H new ATOM 0 HG22 VAL A 130 112.660 16.965 24.148 1.00 0.00 H new ATOM 0 HG23 VAL A 130 111.438 17.394 25.369 1.00 0.00 H new ATOM 2042 N VAL A 131 114.334 15.997 28.916 1.00 0.00 N ATOM 2043 CA VAL A 131 115.267 16.080 30.074 1.00 0.00 C ATOM 2044 C VAL A 131 116.695 15.806 29.598 1.00 0.00 C ATOM 2045 O VAL A 131 117.631 16.468 29.998 1.00 0.00 O ATOM 2046 CB VAL A 131 114.870 15.041 31.124 1.00 0.00 C ATOM 2047 CG1 VAL A 131 114.620 13.695 30.442 1.00 0.00 C ATOM 2048 CG2 VAL A 131 115.999 14.890 32.146 1.00 0.00 C ATOM 0 H VAL A 131 113.466 15.491 29.093 1.00 0.00 H new ATOM 0 HA VAL A 131 115.215 17.077 30.512 1.00 0.00 H new ATOM 0 HB VAL A 131 113.961 15.367 31.630 1.00 0.00 H new ATOM 0 HG11 VAL A 131 114.337 12.955 31.191 1.00 0.00 H new ATOM 0 HG12 VAL A 131 113.816 13.800 29.714 1.00 0.00 H new ATOM 0 HG13 VAL A 131 115.529 13.370 29.935 1.00 0.00 H new ATOM 0 HG21 VAL A 131 115.716 14.150 32.894 1.00 0.00 H new ATOM 0 HG22 VAL A 131 116.907 14.565 31.639 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.179 15.848 32.634 1.00 0.00 H new ATOM 2058 N VAL A 132 116.870 14.836 28.743 1.00 0.00 N ATOM 2059 CA VAL A 132 118.238 14.521 28.241 1.00 0.00 C ATOM 2060 C VAL A 132 118.678 15.605 27.255 1.00 0.00 C ATOM 2061 O VAL A 132 117.889 16.114 26.484 1.00 0.00 O ATOM 2062 CB VAL A 132 118.224 13.163 27.537 1.00 0.00 C ATOM 2063 CG1 VAL A 132 119.505 12.997 26.718 1.00 0.00 C ATOM 2064 CG2 VAL A 132 118.142 12.048 28.584 1.00 0.00 C ATOM 0 H VAL A 132 116.125 14.248 28.370 1.00 0.00 H new ATOM 0 HA VAL A 132 118.935 14.486 29.078 1.00 0.00 H new ATOM 0 HB VAL A 132 117.360 13.107 26.875 1.00 0.00 H new ATOM 0 HG11 VAL A 132 119.494 12.029 26.217 1.00 0.00 H new ATOM 0 HG12 VAL A 132 119.566 13.790 25.973 1.00 0.00 H new ATOM 0 HG13 VAL A 132 120.370 13.053 27.379 1.00 0.00 H new ATOM 0 HG21 VAL A 132 118.132 11.079 28.084 1.00 0.00 H new ATOM 0 HG22 VAL A 132 119.006 12.106 29.246 1.00 0.00 H new ATOM 0 HG23 VAL A 132 117.229 12.164 29.168 1.00 0.00 H new ATOM 2074 N GLN A 133 119.934 15.961 27.272 1.00 0.00 N ATOM 2075 CA GLN A 133 120.423 17.011 26.335 1.00 0.00 C ATOM 2076 C GLN A 133 121.850 16.676 25.894 1.00 0.00 C ATOM 2077 O GLN A 133 122.109 16.734 24.704 1.00 0.00 O ATOM 2078 CB GLN A 133 120.413 18.369 27.040 1.00 0.00 C ATOM 2079 CG GLN A 133 121.151 19.397 26.183 1.00 0.00 C ATOM 2080 CD GLN A 133 120.629 19.336 24.746 1.00 0.00 C ATOM 2081 OE1 GLN A 133 119.445 19.174 24.525 1.00 0.00 O ATOM 2082 NE2 GLN A 133 121.466 19.460 23.754 1.00 0.00 N ATOM 2083 OXT GLN A 133 122.658 16.367 26.755 1.00 0.00 O ATOM 0 H GLN A 133 120.642 15.570 27.894 1.00 0.00 H new ATOM 0 HA GLN A 133 119.772 17.050 25.462 1.00 0.00 H new ATOM 0 HB2 GLN A 133 119.387 18.693 27.212 1.00 0.00 H new ATOM 0 HB3 GLN A 133 120.889 18.286 28.017 1.00 0.00 H new ATOM 0 HG2 GLN A 133 121.006 20.397 26.591 1.00 0.00 H new ATOM 0 HG3 GLN A 133 122.223 19.198 26.200 1.00 0.00 H new ATOM 0 HE21 GLN A 133 122.460 19.596 23.939 1.00 0.00 H new ATOM 0 HE22 GLN A 133 121.127 19.421 22.793 1.00 0.00 H new TER 2092 GLN A 133