USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1048 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 110 ASN :FLIP amide:sc= -0.302 F(o=-3,f=-1.8) USER MOD Set 1.2: A 111 HIS :FLIP no HE2:sc= -1.51 F(o=-4.8!,f=-1.8) USER MOD Set 2.1: A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.019) USER MOD Single : A 1 GLN N :NH3+ -165:sc= -0.0661 (180deg=-0.532) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.434 K(o=-0.43,f=-4.8!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.0502 USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= -0.655 (180deg=-1.38) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -150:sc= -0.759 USER MOD Single : A 29 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.019) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -130:sc= -0.332 (180deg=-1.86!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -1.32 (180deg=-1.96) USER MOD Single : A 62 GLN : amide:sc= -0.219 K(o=-0.22,f=-2.1) USER MOD Single : A 63 ASN : amide:sc= -0.544 K(o=-0.54,f=-2.3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -73:sc= 0.219! USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -26:sc= 0.336 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 149:sc= 0.165 (180deg=-0.00693) USER MOD Single : A 104 TYR OH : rot 27:sc= -5.1! USER MOD Single : A 106 GLN : amide:sc= 0.0752 K(o=0.075,f=-0.44) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 114 MET CE :methyl 156:sc= -1.94! (180deg=-3.27!) USER MOD Single : A 116 GLN : amide:sc= -1.01 X(o=-1,f=-0.62) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -7.564 10.788 9.846 1.00 0.00 N ATOM 2 CA GLN A 1 -7.251 12.119 9.264 1.00 0.00 C ATOM 3 C GLN A 1 -8.130 12.411 8.051 1.00 0.00 C ATOM 4 O GLN A 1 -8.951 13.328 8.073 1.00 0.00 O ATOM 5 CB GLN A 1 -5.774 12.142 8.864 1.00 0.00 C ATOM 6 CG GLN A 1 -4.846 11.560 9.918 1.00 0.00 C ATOM 7 CD GLN A 1 -4.966 12.265 11.254 1.00 0.00 C ATOM 8 OE1 GLN A 1 -4.799 13.481 11.345 1.00 0.00 O ATOM 9 NE2 GLN A 1 -5.257 11.502 12.301 1.00 0.00 N ATOM 0 H1 GLN A 1 -7.148 10.718 10.797 1.00 0.00 H new ATOM 0 H2 GLN A 1 -8.595 10.671 9.910 1.00 0.00 H new ATOM 0 H3 GLN A 1 -7.168 10.042 9.239 1.00 0.00 H new ATOM 0 HA GLN A 1 -7.451 12.890 10.008 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -5.650 11.585 7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -5.478 13.171 8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -5.070 10.501 10.049 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -3.816 11.627 9.567 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -5.387 10.498 12.180 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -5.350 11.920 13.227 1.00 0.00 H new ATOM 20 N PHE A 2 -7.952 11.623 6.996 1.00 0.00 N ATOM 21 CA PHE A 2 -8.730 11.793 5.773 1.00 0.00 C ATOM 22 C PHE A 2 -9.986 10.918 5.790 1.00 0.00 C ATOM 23 O PHE A 2 -10.691 10.812 4.787 1.00 0.00 O ATOM 24 CB PHE A 2 -7.868 11.452 4.554 1.00 0.00 C ATOM 25 CG PHE A 2 -8.597 11.559 3.245 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.401 12.654 2.969 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.480 10.562 2.289 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.073 12.753 1.765 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.150 10.655 1.084 1.00 0.00 C ATOM 30 CZ PHE A 2 -9.946 11.751 0.822 1.00 0.00 C ATOM 0 H PHE A 2 -7.276 10.860 6.963 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.045 12.835 5.712 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.005 12.118 4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -7.485 10.437 4.664 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.504 13.439 3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.858 9.702 2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -10.696 13.612 1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.051 9.871 0.348 1.00 0.00 H new ATOM 0 HZ PHE A 2 -10.470 11.826 -0.120 1.00 0.00 H new ATOM 40 N ASP A 3 -10.260 10.294 6.933 1.00 0.00 N ATOM 41 CA ASP A 3 -11.430 9.435 7.072 1.00 0.00 C ATOM 42 C ASP A 3 -11.351 8.231 6.134 1.00 0.00 C ATOM 43 O ASP A 3 -12.356 7.568 5.883 1.00 0.00 O ATOM 44 CB ASP A 3 -12.708 10.230 6.800 1.00 0.00 C ATOM 45 CG ASP A 3 -13.549 10.417 8.048 1.00 0.00 C ATOM 46 OD1 ASP A 3 -13.009 10.911 9.060 1.00 0.00 O ATOM 47 OD2 ASP A 3 -14.748 10.068 8.014 1.00 0.00 O ATOM 0 H ASP A 3 -9.688 10.368 7.774 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.451 9.064 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.446 11.206 6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.298 9.716 6.041 1.00 0.00 H new ATOM 52 N LEU A 4 -10.155 7.949 5.621 1.00 0.00 N ATOM 53 CA LEU A 4 -9.961 6.820 4.717 1.00 0.00 C ATOM 54 C LEU A 4 -9.410 5.612 5.468 1.00 0.00 C ATOM 55 O LEU A 4 -8.250 5.601 5.879 1.00 0.00 O ATOM 56 CB LEU A 4 -9.013 7.198 3.576 1.00 0.00 C ATOM 57 CG LEU A 4 -8.875 6.142 2.476 1.00 0.00 C ATOM 58 CD1 LEU A 4 -8.659 6.802 1.122 1.00 0.00 C ATOM 59 CD2 LEU A 4 -7.739 5.179 2.797 1.00 0.00 C ATOM 0 H LEU A 4 -9.309 8.485 5.816 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.932 6.558 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.362 8.127 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.026 7.397 3.994 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.802 5.571 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.563 6.034 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.509 7.443 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.749 7.402 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.657 4.436 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.803 5.733 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.943 4.678 3.743 1.00 0.00 H new ATOM 71 N THR A 5 -10.249 4.598 5.645 1.00 0.00 N ATOM 72 CA THR A 5 -9.845 3.385 6.347 1.00 0.00 C ATOM 73 C THR A 5 -9.930 2.169 5.430 1.00 0.00 C ATOM 74 O THR A 5 -10.993 1.857 4.895 1.00 0.00 O ATOM 75 CB THR A 5 -10.724 3.169 7.580 1.00 0.00 C ATOM 76 OG1 THR A 5 -10.672 4.296 8.436 1.00 0.00 O ATOM 77 CG2 THR A 5 -10.326 1.957 8.394 1.00 0.00 C ATOM 0 H THR A 5 -11.213 4.591 5.312 1.00 0.00 H new ATOM 0 HA THR A 5 -8.809 3.507 6.663 1.00 0.00 H new ATOM 0 HB THR A 5 -11.731 3.012 7.193 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.242 4.140 9.218 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.990 1.862 9.254 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.403 1.062 7.776 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.299 2.072 8.740 1.00 0.00 H new ATOM 85 N VAL A 6 -8.806 1.486 5.256 1.00 0.00 N ATOM 86 CA VAL A 6 -8.754 0.302 4.407 1.00 0.00 C ATOM 87 C VAL A 6 -8.102 -0.859 5.148 1.00 0.00 C ATOM 88 O VAL A 6 -7.123 -0.678 5.869 1.00 0.00 O ATOM 89 CB VAL A 6 -7.997 0.553 3.066 1.00 0.00 C ATOM 90 CG1 VAL A 6 -7.306 1.914 3.045 1.00 0.00 C ATOM 91 CG2 VAL A 6 -6.988 -0.556 2.775 1.00 0.00 C ATOM 0 H VAL A 6 -7.917 1.732 5.692 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.786 0.054 4.161 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.751 0.547 2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.792 2.046 2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.050 2.701 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.583 1.967 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.480 -0.348 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.255 -0.602 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.508 -1.511 2.703 1.00 0.00 H new ATOM 101 N GLY A 7 -8.645 -2.053 4.951 1.00 0.00 N ATOM 102 CA GLY A 7 -8.092 -3.229 5.592 1.00 0.00 C ATOM 103 C GLY A 7 -7.672 -4.268 4.578 1.00 0.00 C ATOM 104 O GLY A 7 -8.512 -4.837 3.879 1.00 0.00 O ATOM 0 H GLY A 7 -9.457 -2.228 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.233 -2.943 6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.832 -3.658 6.268 1.00 0.00 H new ATOM 108 N ILE A 8 -6.371 -4.518 4.485 1.00 0.00 N ATOM 109 CA ILE A 8 -5.861 -5.493 3.535 1.00 0.00 C ATOM 110 C ILE A 8 -5.985 -6.909 4.095 1.00 0.00 C ATOM 111 O ILE A 8 -5.374 -7.247 5.109 1.00 0.00 O ATOM 112 CB ILE A 8 -4.388 -5.192 3.159 1.00 0.00 C ATOM 113 CG1 ILE A 8 -4.323 -3.993 2.208 1.00 0.00 C ATOM 114 CG2 ILE A 8 -3.721 -6.407 2.525 1.00 0.00 C ATOM 115 CD1 ILE A 8 -3.228 -3.005 2.548 1.00 0.00 C ATOM 0 H ILE A 8 -5.657 -4.062 5.052 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.464 -5.421 2.630 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.846 -4.952 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.171 -4.355 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.283 -3.477 2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.689 -6.165 2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.737 -7.239 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.260 -6.687 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.244 -2.184 1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.390 -2.614 3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.260 -3.505 2.505 1.00 0.00 H new ATOM 127 N THR A 9 -6.783 -7.729 3.418 1.00 0.00 N ATOM 128 CA THR A 9 -7.003 -9.113 3.826 1.00 0.00 C ATOM 129 C THR A 9 -7.425 -9.949 2.624 1.00 0.00 C ATOM 130 O THR A 9 -8.273 -9.520 1.846 1.00 0.00 O ATOM 131 CB THR A 9 -8.076 -9.182 4.914 1.00 0.00 C ATOM 132 OG1 THR A 9 -7.891 -8.151 5.868 1.00 0.00 O ATOM 133 CG2 THR A 9 -8.089 -10.501 5.658 1.00 0.00 C ATOM 0 H THR A 9 -7.292 -7.456 2.577 1.00 0.00 H new ATOM 0 HA THR A 9 -6.072 -9.512 4.228 1.00 0.00 H new ATOM 0 HB THR A 9 -9.026 -9.069 4.391 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.588 -8.211 6.554 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.873 -10.484 6.415 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.280 -11.313 4.956 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.123 -10.657 6.139 1.00 0.00 H new ATOM 141 N ASP A 10 -6.817 -11.135 2.479 1.00 0.00 N ATOM 142 CA ASP A 10 -7.106 -12.054 1.363 1.00 0.00 C ATOM 143 C ASP A 10 -5.854 -12.353 0.530 1.00 0.00 C ATOM 144 O ASP A 10 -5.757 -13.420 -0.077 1.00 0.00 O ATOM 145 CB ASP A 10 -8.187 -11.496 0.430 1.00 0.00 C ATOM 146 CG ASP A 10 -8.553 -12.464 -0.679 1.00 0.00 C ATOM 147 OD1 ASP A 10 -9.413 -13.338 -0.445 1.00 0.00 O ATOM 148 OD2 ASP A 10 -7.980 -12.347 -1.783 1.00 0.00 O ATOM 0 H ASP A 10 -6.113 -11.486 3.128 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.464 -12.976 1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.078 -11.261 1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.837 -10.562 -0.009 1.00 0.00 H new ATOM 153 N PRO A 11 -4.883 -11.417 0.467 1.00 0.00 N ATOM 154 CA PRO A 11 -3.660 -11.600 -0.320 1.00 0.00 C ATOM 155 C PRO A 11 -3.078 -13.006 -0.222 1.00 0.00 C ATOM 156 O PRO A 11 -2.506 -13.391 0.798 1.00 0.00 O ATOM 157 CB PRO A 11 -2.719 -10.565 0.285 1.00 0.00 C ATOM 158 CG PRO A 11 -3.628 -9.448 0.656 1.00 0.00 C ATOM 159 CD PRO A 11 -4.896 -10.097 1.136 1.00 0.00 C ATOM 0 HA PRO A 11 -3.836 -11.474 -1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.192 -10.960 1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.960 -10.245 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.187 -8.827 1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.820 -8.799 -0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.910 -10.197 2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.775 -9.515 0.858 1.00 0.00 H new ATOM 167 N GLU A 12 -3.230 -13.758 -1.306 1.00 0.00 N ATOM 168 CA GLU A 12 -2.728 -15.123 -1.389 1.00 0.00 C ATOM 169 C GLU A 12 -2.070 -15.351 -2.745 1.00 0.00 C ATOM 170 O GLU A 12 -2.101 -14.474 -3.606 1.00 0.00 O ATOM 171 CB GLU A 12 -3.867 -16.124 -1.184 1.00 0.00 C ATOM 172 CG GLU A 12 -5.004 -15.961 -2.180 1.00 0.00 C ATOM 173 CD GLU A 12 -6.329 -16.461 -1.640 1.00 0.00 C ATOM 174 OE1 GLU A 12 -6.563 -16.323 -0.420 1.00 0.00 O ATOM 175 OE2 GLU A 12 -7.134 -16.988 -2.436 1.00 0.00 O ATOM 0 H GLU A 12 -3.704 -13.438 -2.151 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.988 -15.273 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.469 -17.136 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.261 -16.013 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.099 -14.909 -2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.761 -16.502 -3.094 1.00 0.00 H new ATOM 182 N LYS A 13 -1.475 -16.521 -2.937 1.00 0.00 N ATOM 183 CA LYS A 13 -0.818 -16.831 -4.203 1.00 0.00 C ATOM 184 C LYS A 13 -1.841 -17.205 -5.271 1.00 0.00 C ATOM 185 O LYS A 13 -2.330 -18.333 -5.314 1.00 0.00 O ATOM 186 CB LYS A 13 0.191 -17.964 -4.022 1.00 0.00 C ATOM 187 CG LYS A 13 1.037 -18.222 -5.259 1.00 0.00 C ATOM 188 CD LYS A 13 2.202 -17.247 -5.351 1.00 0.00 C ATOM 189 CE LYS A 13 3.539 -17.961 -5.223 1.00 0.00 C ATOM 190 NZ LYS A 13 4.660 -17.004 -5.007 1.00 0.00 N ATOM 0 H LYS A 13 -1.433 -17.265 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.287 -15.938 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.847 -17.726 -3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.343 -18.877 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.417 -19.243 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.416 -18.134 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.161 -16.718 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.113 -16.497 -4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.497 -18.665 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.727 -18.544 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.554 -17.529 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.717 -16.348 -5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.493 -16.466 -4.133 1.00 0.00 H new ATOM 204 N ILE A 14 -2.158 -16.243 -6.132 1.00 0.00 N ATOM 205 CA ILE A 14 -3.121 -16.453 -7.206 1.00 0.00 C ATOM 206 C ILE A 14 -2.412 -16.894 -8.490 1.00 0.00 C ATOM 207 O ILE A 14 -2.247 -18.090 -8.731 1.00 0.00 O ATOM 208 CB ILE A 14 -3.950 -15.168 -7.456 1.00 0.00 C ATOM 209 CG1 ILE A 14 -4.960 -14.967 -6.326 1.00 0.00 C ATOM 210 CG2 ILE A 14 -4.667 -15.211 -8.797 1.00 0.00 C ATOM 211 CD1 ILE A 14 -4.361 -14.331 -5.092 1.00 0.00 C ATOM 0 H ILE A 14 -1.759 -15.305 -6.106 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.803 -17.247 -6.901 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.258 -14.326 -7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.778 -14.343 -6.686 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.389 -15.932 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.237 -14.292 -8.934 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.934 -15.307 -9.598 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.344 -16.065 -8.820 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.132 -14.218 -4.330 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.562 -14.965 -4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.957 -13.352 -5.347 1.00 0.00 H new ATOM 223 N GLY A 15 -1.991 -15.924 -9.306 1.00 0.00 N ATOM 224 CA GLY A 15 -1.298 -16.226 -10.552 1.00 0.00 C ATOM 225 C GLY A 15 -1.802 -17.483 -11.239 1.00 0.00 C ATOM 226 O GLY A 15 -2.931 -17.527 -11.728 1.00 0.00 O ATOM 0 H GLY A 15 -2.119 -14.929 -9.124 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.407 -15.382 -11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.233 -16.336 -10.348 1.00 0.00 H new ATOM 230 N ASP A 16 -0.954 -18.506 -11.277 1.00 0.00 N ATOM 231 CA ASP A 16 -1.302 -19.772 -11.909 1.00 0.00 C ATOM 232 C ASP A 16 -0.796 -20.950 -11.083 1.00 0.00 C ATOM 233 O ASP A 16 -1.581 -21.752 -10.579 1.00 0.00 O ATOM 234 CB ASP A 16 -0.710 -19.832 -13.316 1.00 0.00 C ATOM 235 CG ASP A 16 -1.283 -20.969 -14.139 1.00 0.00 C ATOM 236 OD1 ASP A 16 -2.456 -20.867 -14.556 1.00 0.00 O ATOM 237 OD2 ASP A 16 -0.560 -21.962 -14.364 1.00 0.00 O ATOM 0 H ASP A 16 -0.017 -18.481 -10.875 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.388 -19.837 -11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.898 -18.887 -13.826 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.372 -19.947 -13.247 1.00 0.00 H new ATOM 242 N GLY A 17 0.524 -21.048 -10.951 1.00 0.00 N ATOM 243 CA GLY A 17 1.117 -22.131 -10.188 1.00 0.00 C ATOM 244 C GLY A 17 2.401 -21.717 -9.497 1.00 0.00 C ATOM 245 O GLY A 17 2.373 -21.180 -8.390 1.00 0.00 O ATOM 0 H GLY A 17 1.194 -20.396 -11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.403 -22.480 -9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.320 -22.971 -10.852 1.00 0.00 H new ATOM 249 N MET A 18 3.530 -21.962 -10.154 1.00 0.00 N ATOM 250 CA MET A 18 4.830 -21.608 -9.597 1.00 0.00 C ATOM 251 C MET A 18 4.993 -20.094 -9.529 1.00 0.00 C ATOM 252 O MET A 18 4.873 -19.495 -8.459 1.00 0.00 O ATOM 253 CB MET A 18 5.952 -22.222 -10.438 1.00 0.00 C ATOM 254 CG MET A 18 6.158 -23.706 -10.182 1.00 0.00 C ATOM 255 SD MET A 18 6.948 -24.035 -8.595 1.00 0.00 S ATOM 256 CE MET A 18 6.071 -25.509 -8.079 1.00 0.00 C ATOM 0 H MET A 18 3.571 -22.404 -11.072 1.00 0.00 H new ATOM 0 HA MET A 18 4.889 -22.007 -8.584 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.728 -22.071 -11.494 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.882 -21.693 -10.231 1.00 0.00 H new ATOM 0 HG2 MET A 18 5.194 -24.214 -10.216 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.768 -24.127 -10.981 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.448 -25.836 -7.110 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.006 -25.290 -7.999 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.224 -26.299 -8.814 1.00 0.00 H new ATOM 266 N ASN A 19 5.257 -19.476 -10.677 1.00 0.00 N ATOM 267 CA ASN A 19 5.425 -18.029 -10.744 1.00 0.00 C ATOM 268 C ASN A 19 4.067 -17.335 -10.737 1.00 0.00 C ATOM 269 O ASN A 19 3.611 -16.827 -11.761 1.00 0.00 O ATOM 270 CB ASN A 19 6.209 -17.641 -12.000 1.00 0.00 C ATOM 271 CG ASN A 19 5.630 -18.257 -13.258 1.00 0.00 C ATOM 272 OD1 ASN A 19 4.621 -18.962 -13.211 1.00 0.00 O ATOM 273 ND2 ASN A 19 6.268 -17.996 -14.392 1.00 0.00 N ATOM 0 H ASN A 19 5.359 -19.955 -11.572 1.00 0.00 H new ATOM 0 HA ASN A 19 5.987 -17.706 -9.867 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.215 -16.556 -12.100 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.246 -17.956 -11.889 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.926 -18.385 -15.271 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.100 -17.407 -14.385 1.00 0.00 H new ATOM 280 N ALA A 20 3.422 -17.328 -9.576 1.00 0.00 N ATOM 281 CA ALA A 20 2.110 -16.709 -9.430 1.00 0.00 C ATOM 282 C ALA A 20 2.194 -15.403 -8.646 1.00 0.00 C ATOM 283 O ALA A 20 3.168 -15.153 -7.936 1.00 0.00 O ATOM 284 CB ALA A 20 1.150 -17.677 -8.755 1.00 0.00 C ATOM 0 H ALA A 20 3.788 -17.745 -8.720 1.00 0.00 H new ATOM 0 HA ALA A 20 1.734 -16.471 -10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.173 -17.206 -8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.056 -18.578 -9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.533 -17.941 -7.769 1.00 0.00 H new ATOM 290 N TYR A 21 1.163 -14.575 -8.781 1.00 0.00 N ATOM 291 CA TYR A 21 1.106 -13.292 -8.087 1.00 0.00 C ATOM 292 C TYR A 21 0.055 -13.327 -6.992 1.00 0.00 C ATOM 293 O TYR A 21 -0.683 -14.301 -6.863 1.00 0.00 O ATOM 294 CB TYR A 21 0.765 -12.171 -9.073 1.00 0.00 C ATOM 295 CG TYR A 21 -0.607 -12.312 -9.707 1.00 0.00 C ATOM 296 CD1 TYR A 21 -1.772 -12.109 -8.965 1.00 0.00 C ATOM 297 CD2 TYR A 21 -0.737 -12.653 -11.046 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.018 -12.244 -9.546 1.00 0.00 C ATOM 299 CE2 TYR A 21 -1.981 -12.787 -11.633 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.117 -12.582 -10.879 1.00 0.00 C ATOM 301 OH TYR A 21 -4.357 -12.717 -11.461 1.00 0.00 O ATOM 0 H TYR A 21 0.352 -14.770 -9.367 1.00 0.00 H new ATOM 0 HA TYR A 21 2.083 -13.102 -7.643 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.819 -11.214 -8.554 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.519 -12.150 -9.860 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.698 -11.842 -7.921 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.150 -12.817 -11.640 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.910 -12.086 -8.959 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.063 -13.051 -12.677 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.251 -12.957 -12.405 1.00 0.00 H new ATOM 311 N VAL A 22 -0.035 -12.248 -6.224 1.00 0.00 N ATOM 312 CA VAL A 22 -1.031 -12.166 -5.171 1.00 0.00 C ATOM 313 C VAL A 22 -1.967 -10.996 -5.403 1.00 0.00 C ATOM 314 O VAL A 22 -1.578 -9.954 -5.929 1.00 0.00 O ATOM 315 CB VAL A 22 -0.420 -12.042 -3.765 1.00 0.00 C ATOM 316 CG1 VAL A 22 -1.529 -11.866 -2.727 1.00 0.00 C ATOM 317 CG2 VAL A 22 0.439 -13.257 -3.444 1.00 0.00 C ATOM 0 H VAL A 22 0.564 -11.427 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.581 -13.106 -5.213 1.00 0.00 H new ATOM 0 HB VAL A 22 0.223 -11.162 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.088 -11.779 -1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.098 -10.964 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.193 -12.730 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.862 -13.150 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.175 -14.157 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.245 -13.335 -4.173 1.00 0.00 H new ATOM 327 N ALA A 23 -3.205 -11.195 -5.003 1.00 0.00 N ATOM 328 CA ALA A 23 -4.242 -10.202 -5.147 1.00 0.00 C ATOM 329 C ALA A 23 -4.439 -9.421 -3.850 1.00 0.00 C ATOM 330 O ALA A 23 -4.813 -9.990 -2.825 1.00 0.00 O ATOM 331 CB ALA A 23 -5.507 -10.924 -5.534 1.00 0.00 C ATOM 0 H ALA A 23 -3.520 -12.060 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.966 -9.477 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.316 -10.203 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.351 -11.452 -6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.770 -11.640 -4.755 1.00 0.00 H new ATOM 337 N TYR A 24 -4.184 -8.117 -3.896 1.00 0.00 N ATOM 338 CA TYR A 24 -4.333 -7.272 -2.716 1.00 0.00 C ATOM 339 C TYR A 24 -5.749 -6.722 -2.610 1.00 0.00 C ATOM 340 O TYR A 24 -6.096 -5.747 -3.274 1.00 0.00 O ATOM 341 CB TYR A 24 -3.332 -6.119 -2.749 1.00 0.00 C ATOM 342 CG TYR A 24 -1.990 -6.475 -2.161 1.00 0.00 C ATOM 343 CD1 TYR A 24 -1.095 -7.272 -2.860 1.00 0.00 C ATOM 344 CD2 TYR A 24 -1.622 -6.019 -0.903 1.00 0.00 C ATOM 345 CE1 TYR A 24 0.133 -7.605 -2.322 1.00 0.00 C ATOM 346 CE2 TYR A 24 -0.396 -6.347 -0.357 1.00 0.00 C ATOM 347 CZ TYR A 24 0.479 -7.140 -1.071 1.00 0.00 C ATOM 348 OH TYR A 24 1.701 -7.469 -0.530 1.00 0.00 O ATOM 0 H TYR A 24 -3.875 -7.624 -4.734 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.135 -7.890 -1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.194 -5.796 -3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.747 -5.272 -2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.363 -7.638 -3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.305 -5.398 -0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.819 -8.227 -2.879 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.124 -5.985 0.623 1.00 0.00 H new ATOM 0 HH TYR A 24 1.890 -6.883 0.232 1.00 0.00 H new ATOM 358 N LYS A 25 -6.558 -7.347 -1.763 1.00 0.00 N ATOM 359 CA LYS A 25 -7.936 -6.916 -1.567 1.00 0.00 C ATOM 360 C LYS A 25 -7.988 -5.687 -0.670 1.00 0.00 C ATOM 361 O LYS A 25 -8.085 -5.798 0.553 1.00 0.00 O ATOM 362 CB LYS A 25 -8.761 -8.048 -0.952 1.00 0.00 C ATOM 363 CG LYS A 25 -10.214 -7.676 -0.696 1.00 0.00 C ATOM 364 CD LYS A 25 -11.125 -8.192 -1.799 1.00 0.00 C ATOM 365 CE LYS A 25 -11.802 -7.052 -2.544 1.00 0.00 C ATOM 366 NZ LYS A 25 -13.224 -7.363 -2.858 1.00 0.00 N ATOM 0 H LYS A 25 -6.284 -8.153 -1.202 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.358 -6.657 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.728 -8.912 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.301 -8.351 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.532 -8.087 0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.306 -6.592 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.545 -8.792 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.883 -8.847 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.753 -6.145 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.261 -6.851 -3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.520 -6.823 -3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.323 -8.381 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.823 -7.102 -2.049 1.00 0.00 H new ATOM 380 N VAL A 26 -7.917 -4.514 -1.289 1.00 0.00 N ATOM 381 CA VAL A 26 -7.949 -3.258 -0.556 1.00 0.00 C ATOM 382 C VAL A 26 -9.371 -2.716 -0.453 1.00 0.00 C ATOM 383 O VAL A 26 -9.878 -2.093 -1.386 1.00 0.00 O ATOM 384 CB VAL A 26 -7.047 -2.204 -1.230 1.00 0.00 C ATOM 385 CG1 VAL A 26 -7.150 -0.862 -0.517 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.605 -2.690 -1.272 1.00 0.00 C ATOM 0 H VAL A 26 -7.837 -4.409 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.575 -3.459 0.448 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.391 -2.062 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.504 -0.137 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.181 -0.511 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.838 -0.977 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.981 -1.936 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.250 -2.864 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.551 -3.619 -1.839 1.00 0.00 H new ATOM 396 N THR A 27 -10.008 -2.954 0.689 1.00 0.00 N ATOM 397 CA THR A 27 -11.368 -2.484 0.915 1.00 0.00 C ATOM 398 C THR A 27 -11.361 -1.145 1.644 1.00 0.00 C ATOM 399 O THR A 27 -11.651 -1.071 2.838 1.00 0.00 O ATOM 400 CB THR A 27 -12.165 -3.521 1.710 1.00 0.00 C ATOM 401 OG1 THR A 27 -12.242 -4.744 0.999 1.00 0.00 O ATOM 402 CG2 THR A 27 -13.581 -3.082 2.018 1.00 0.00 C ATOM 0 H THR A 27 -9.604 -3.469 1.471 1.00 0.00 H new ATOM 0 HA THR A 27 -11.848 -2.344 -0.053 1.00 0.00 H new ATOM 0 HB THR A 27 -11.626 -3.641 2.650 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.753 -5.395 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.089 -3.863 2.583 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.558 -2.165 2.607 1.00 0.00 H new ATOM 0 HG23 THR A 27 -14.117 -2.901 1.086 1.00 0.00 H new ATOM 410 N THR A 28 -11.025 -0.089 0.912 1.00 0.00 N ATOM 411 CA THR A 28 -10.978 1.255 1.474 1.00 0.00 C ATOM 412 C THR A 28 -12.386 1.795 1.698 1.00 0.00 C ATOM 413 O THR A 28 -13.310 1.474 0.953 1.00 0.00 O ATOM 414 CB THR A 28 -10.195 2.190 0.551 1.00 0.00 C ATOM 415 OG1 THR A 28 -9.096 1.514 -0.037 1.00 0.00 O ATOM 416 CG2 THR A 28 -9.662 3.418 1.256 1.00 0.00 C ATOM 0 H THR A 28 -10.780 -0.139 -0.077 1.00 0.00 H new ATOM 0 HA THR A 28 -10.470 1.205 2.437 1.00 0.00 H new ATOM 0 HB THR A 28 -10.909 2.510 -0.208 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.373 2.153 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.117 4.038 0.544 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.493 3.988 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.992 3.114 2.060 1.00 0.00 H new ATOM 424 N GLN A 29 -12.541 2.614 2.732 1.00 0.00 N ATOM 425 CA GLN A 29 -13.835 3.194 3.057 1.00 0.00 C ATOM 426 C GLN A 29 -13.672 4.608 3.588 1.00 0.00 C ATOM 427 O GLN A 29 -13.171 4.816 4.693 1.00 0.00 O ATOM 428 CB GLN A 29 -14.566 2.340 4.093 1.00 0.00 C ATOM 429 CG GLN A 29 -13.697 1.936 5.272 1.00 0.00 C ATOM 430 CD GLN A 29 -14.498 1.715 6.540 1.00 0.00 C ATOM 431 OE1 GLN A 29 -14.465 0.634 7.128 1.00 0.00 O ATOM 432 NE2 GLN A 29 -15.225 2.741 6.965 1.00 0.00 N ATOM 0 H GLN A 29 -11.785 2.890 3.359 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.426 3.224 2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.430 2.892 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.946 1.441 3.608 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.157 1.022 5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.950 2.709 5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.222 3.619 6.445 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.787 2.652 7.812 1.00 0.00 H new ATOM 441 N THR A 30 -14.103 5.579 2.797 1.00 0.00 N ATOM 442 CA THR A 30 -14.009 6.975 3.191 1.00 0.00 C ATOM 443 C THR A 30 -15.364 7.655 3.067 1.00 0.00 C ATOM 444 O THR A 30 -15.786 8.041 1.977 1.00 0.00 O ATOM 445 CB THR A 30 -12.984 7.699 2.325 1.00 0.00 C ATOM 446 OG1 THR A 30 -13.131 9.104 2.433 1.00 0.00 O ATOM 447 CG2 THR A 30 -13.103 7.329 0.870 1.00 0.00 C ATOM 0 H THR A 30 -14.521 5.425 1.879 1.00 0.00 H new ATOM 0 HA THR A 30 -13.689 7.019 4.232 1.00 0.00 H new ATOM 0 HB THR A 30 -12.006 7.389 2.693 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.462 9.547 1.870 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.352 7.870 0.294 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.946 6.257 0.753 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.097 7.592 0.508 1.00 0.00 H new ATOM 455 N SER A 31 -16.034 7.796 4.196 1.00 0.00 N ATOM 456 CA SER A 31 -17.345 8.429 4.243 1.00 0.00 C ATOM 457 C SER A 31 -17.213 9.948 4.201 1.00 0.00 C ATOM 458 O SER A 31 -17.632 10.647 5.124 1.00 0.00 O ATOM 459 CB SER A 31 -18.097 8.003 5.506 1.00 0.00 C ATOM 460 OG SER A 31 -19.499 8.057 5.309 1.00 0.00 O ATOM 0 H SER A 31 -15.690 7.478 5.102 1.00 0.00 H new ATOM 0 HA SER A 31 -17.910 8.106 3.369 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.805 6.990 5.783 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.818 8.653 6.335 1.00 0.00 H new ATOM 0 HG SER A 31 -19.956 7.779 6.130 1.00 0.00 H new ATOM 466 N LEU A 32 -16.622 10.451 3.122 1.00 0.00 N ATOM 467 CA LEU A 32 -16.428 11.885 2.956 1.00 0.00 C ATOM 468 C LEU A 32 -16.957 12.348 1.601 1.00 0.00 C ATOM 469 O LEU A 32 -17.058 11.557 0.663 1.00 0.00 O ATOM 470 CB LEU A 32 -14.944 12.234 3.087 1.00 0.00 C ATOM 471 CG LEU A 32 -14.537 12.839 4.431 1.00 0.00 C ATOM 472 CD1 LEU A 32 -14.882 11.892 5.570 1.00 0.00 C ATOM 473 CD2 LEU A 32 -13.050 13.164 4.439 1.00 0.00 C ATOM 0 H LEU A 32 -16.269 9.886 2.350 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.985 12.400 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.358 11.330 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.680 12.935 2.295 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.094 13.765 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.585 12.340 6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.956 11.707 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.353 10.949 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.777 13.594 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.477 12.252 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.830 13.880 3.647 1.00 0.00 H new ATOM 485 N PRO A 33 -17.299 13.641 1.480 1.00 0.00 N ATOM 486 CA PRO A 33 -17.816 14.205 0.232 1.00 0.00 C ATOM 487 C PRO A 33 -16.714 14.433 -0.798 1.00 0.00 C ATOM 488 O PRO A 33 -16.520 15.551 -1.277 1.00 0.00 O ATOM 489 CB PRO A 33 -18.415 15.537 0.680 1.00 0.00 C ATOM 490 CG PRO A 33 -17.600 15.934 1.862 1.00 0.00 C ATOM 491 CD PRO A 33 -17.208 14.654 2.550 1.00 0.00 C ATOM 0 HA PRO A 33 -18.528 13.542 -0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -18.357 16.284 -0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -19.468 15.431 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -16.718 16.497 1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.172 16.576 2.531 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.200 14.713 2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -17.878 14.423 3.378 1.00 0.00 H new ATOM 499 N LEU A 34 -15.990 13.369 -1.132 1.00 0.00 N ATOM 500 CA LEU A 34 -14.904 13.460 -2.102 1.00 0.00 C ATOM 501 C LEU A 34 -14.996 12.346 -3.140 1.00 0.00 C ATOM 502 O LEU A 34 -15.269 12.601 -4.313 1.00 0.00 O ATOM 503 CB LEU A 34 -13.551 13.398 -1.387 1.00 0.00 C ATOM 504 CG LEU A 34 -12.887 14.754 -1.140 1.00 0.00 C ATOM 505 CD1 LEU A 34 -13.574 15.484 0.005 1.00 0.00 C ATOM 506 CD2 LEU A 34 -11.406 14.574 -0.846 1.00 0.00 C ATOM 0 H LEU A 34 -16.135 12.436 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.994 14.415 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -13.686 12.897 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.873 12.781 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.989 15.358 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.088 16.446 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.623 15.644 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -13.503 14.885 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.948 15.548 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.284 13.953 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.922 14.092 -1.696 1.00 0.00 H new ATOM 518 N PHE A 35 -14.755 11.111 -2.707 1.00 0.00 N ATOM 519 CA PHE A 35 -14.803 9.966 -3.612 1.00 0.00 C ATOM 520 C PHE A 35 -15.188 8.685 -2.877 1.00 0.00 C ATOM 521 O PHE A 35 -15.448 8.696 -1.674 1.00 0.00 O ATOM 522 CB PHE A 35 -13.442 9.779 -4.288 1.00 0.00 C ATOM 523 CG PHE A 35 -13.488 9.873 -5.789 1.00 0.00 C ATOM 524 CD1 PHE A 35 -14.576 9.386 -6.500 1.00 0.00 C ATOM 525 CD2 PHE A 35 -12.441 10.450 -6.491 1.00 0.00 C ATOM 526 CE1 PHE A 35 -14.616 9.471 -7.878 1.00 0.00 C ATOM 527 CE2 PHE A 35 -12.476 10.537 -7.870 1.00 0.00 C ATOM 528 CZ PHE A 35 -13.565 10.048 -8.564 1.00 0.00 C ATOM 0 H PHE A 35 -14.526 10.878 -1.741 1.00 0.00 H new ATOM 0 HA PHE A 35 -15.566 10.168 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.752 10.532 -3.908 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.038 8.806 -4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -15.401 8.935 -5.969 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.587 10.836 -5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -15.468 9.087 -8.419 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -11.652 10.987 -8.404 1.00 0.00 H new ATOM 0 HZ PHE A 35 -13.595 10.117 -9.641 1.00 0.00 H new ATOM 538 N ARG A 36 -15.206 7.578 -3.619 1.00 0.00 N ATOM 539 CA ARG A 36 -15.541 6.273 -3.061 1.00 0.00 C ATOM 540 C ARG A 36 -16.995 6.209 -2.605 1.00 0.00 C ATOM 541 O ARG A 36 -17.807 5.497 -3.196 1.00 0.00 O ATOM 542 CB ARG A 36 -14.610 5.942 -1.894 1.00 0.00 C ATOM 543 CG ARG A 36 -13.145 6.208 -2.197 1.00 0.00 C ATOM 544 CD ARG A 36 -12.540 5.106 -3.053 1.00 0.00 C ATOM 545 NE ARG A 36 -11.379 4.500 -2.410 1.00 0.00 N ATOM 546 CZ ARG A 36 -10.278 5.172 -2.082 1.00 0.00 C ATOM 547 NH1 ARG A 36 -10.162 6.460 -2.383 1.00 0.00 N ATOM 548 NH2 ARG A 36 -9.285 4.552 -1.465 1.00 0.00 N ATOM 0 H ARG A 36 -14.990 7.562 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.408 5.533 -3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.906 6.529 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.733 4.893 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.047 7.164 -2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.589 6.290 -1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.291 4.340 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.248 5.515 -4.020 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.413 3.503 -2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.919 6.940 -2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.315 6.969 -2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.364 3.560 -1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.441 5.066 -1.213 1.00 0.00 H new ATOM 562 N SER A 37 -17.318 6.946 -1.548 1.00 0.00 N ATOM 563 CA SER A 37 -18.676 6.958 -1.013 1.00 0.00 C ATOM 564 C SER A 37 -19.020 5.601 -0.408 1.00 0.00 C ATOM 565 O SER A 37 -18.983 4.578 -1.092 1.00 0.00 O ATOM 566 CB SER A 37 -19.683 7.316 -2.109 1.00 0.00 C ATOM 567 OG SER A 37 -19.167 8.314 -2.973 1.00 0.00 O ATOM 0 H SER A 37 -16.660 7.542 -1.045 1.00 0.00 H new ATOM 0 HA SER A 37 -18.730 7.715 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.929 6.424 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.609 7.668 -1.655 1.00 0.00 H new ATOM 0 HG SER A 37 -19.829 8.523 -3.664 1.00 0.00 H new ATOM 573 N LYS A 38 -19.348 5.599 0.880 1.00 0.00 N ATOM 574 CA LYS A 38 -19.692 4.369 1.587 1.00 0.00 C ATOM 575 C LYS A 38 -18.455 3.499 1.795 1.00 0.00 C ATOM 576 O LYS A 38 -17.850 3.519 2.868 1.00 0.00 O ATOM 577 CB LYS A 38 -20.771 3.586 0.825 1.00 0.00 C ATOM 578 CG LYS A 38 -22.094 3.501 1.566 1.00 0.00 C ATOM 579 CD LYS A 38 -23.271 3.487 0.604 1.00 0.00 C ATOM 580 CE LYS A 38 -24.547 3.966 1.277 1.00 0.00 C ATOM 581 NZ LYS A 38 -25.038 2.995 2.293 1.00 0.00 N ATOM 0 H LYS A 38 -19.383 6.439 1.458 1.00 0.00 H new ATOM 0 HA LYS A 38 -20.089 4.644 2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -20.936 4.058 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -20.407 2.577 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.112 2.599 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -22.187 4.349 2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -23.049 4.123 -0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.417 2.477 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -24.366 4.930 1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -25.318 4.123 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -25.909 3.359 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -25.235 2.083 1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -24.313 2.864 3.027 1.00 0.00 H new ATOM 595 N GLN A 39 -18.079 2.738 0.766 1.00 0.00 N ATOM 596 CA GLN A 39 -16.909 1.862 0.843 1.00 0.00 C ATOM 597 C GLN A 39 -16.842 0.935 -0.369 1.00 0.00 C ATOM 598 O GLN A 39 -17.868 0.587 -0.952 1.00 0.00 O ATOM 599 CB GLN A 39 -16.947 1.026 2.124 1.00 0.00 C ATOM 600 CG GLN A 39 -18.288 0.354 2.372 1.00 0.00 C ATOM 601 CD GLN A 39 -18.686 0.371 3.836 1.00 0.00 C ATOM 602 OE1 GLN A 39 -18.002 -0.203 4.684 1.00 0.00 O ATOM 603 NE2 GLN A 39 -19.798 1.029 4.139 1.00 0.00 N ATOM 0 H GLN A 39 -18.567 2.711 -0.129 1.00 0.00 H new ATOM 0 HA GLN A 39 -16.021 2.494 0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -16.171 0.262 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -16.708 1.666 2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.056 0.856 1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.244 -0.678 2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -20.334 1.490 3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.117 1.073 5.107 1.00 0.00 H new ATOM 612 N PHE A 40 -15.627 0.532 -0.738 1.00 0.00 N ATOM 613 CA PHE A 40 -15.435 -0.363 -1.878 1.00 0.00 C ATOM 614 C PHE A 40 -14.338 -1.383 -1.610 1.00 0.00 C ATOM 615 O PHE A 40 -13.938 -1.609 -0.469 1.00 0.00 O ATOM 616 CB PHE A 40 -15.063 0.418 -3.133 1.00 0.00 C ATOM 617 CG PHE A 40 -16.032 0.256 -4.267 1.00 0.00 C ATOM 618 CD1 PHE A 40 -17.376 0.553 -4.103 1.00 0.00 C ATOM 619 CD2 PHE A 40 -15.594 -0.196 -5.502 1.00 0.00 C ATOM 620 CE1 PHE A 40 -18.264 0.401 -5.151 1.00 0.00 C ATOM 621 CE2 PHE A 40 -16.478 -0.350 -6.552 1.00 0.00 C ATOM 622 CZ PHE A 40 -17.815 -0.051 -6.377 1.00 0.00 C ATOM 0 H PHE A 40 -14.766 0.809 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.383 -0.880 -2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.990 1.476 -2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.075 0.100 -3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -17.733 0.907 -3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.549 -0.430 -5.645 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -19.309 0.636 -5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -16.124 -0.704 -7.509 1.00 0.00 H new ATOM 0 HZ PHE A 40 -18.508 -0.170 -7.197 1.00 0.00 H new ATOM 632 N ALA A 41 -13.865 -1.995 -2.692 1.00 0.00 N ATOM 633 CA ALA A 41 -12.825 -2.996 -2.620 1.00 0.00 C ATOM 634 C ALA A 41 -12.026 -3.042 -3.918 1.00 0.00 C ATOM 635 O ALA A 41 -12.593 -2.938 -5.005 1.00 0.00 O ATOM 636 CB ALA A 41 -13.470 -4.325 -2.339 1.00 0.00 C ATOM 0 H ALA A 41 -14.196 -1.806 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.126 -2.748 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.703 -5.097 -2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.008 -4.275 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.168 -4.567 -3.140 1.00 0.00 H new ATOM 642 N VAL A 42 -10.713 -3.200 -3.804 1.00 0.00 N ATOM 643 CA VAL A 42 -9.858 -3.258 -4.982 1.00 0.00 C ATOM 644 C VAL A 42 -8.812 -4.360 -4.853 1.00 0.00 C ATOM 645 O VAL A 42 -8.108 -4.448 -3.849 1.00 0.00 O ATOM 646 CB VAL A 42 -9.163 -1.904 -5.229 1.00 0.00 C ATOM 647 CG1 VAL A 42 -8.053 -2.039 -6.265 1.00 0.00 C ATOM 648 CG2 VAL A 42 -10.186 -0.860 -5.662 1.00 0.00 C ATOM 0 H VAL A 42 -10.221 -3.290 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.498 -3.485 -5.835 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.706 -1.576 -4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.580 -1.069 -6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.310 -2.753 -5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.475 -2.391 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.684 0.092 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.671 -1.186 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.936 -0.739 -4.880 1.00 0.00 H new ATOM 658 N LYS A 43 -8.716 -5.198 -5.881 1.00 0.00 N ATOM 659 CA LYS A 43 -7.755 -6.295 -5.889 1.00 0.00 C ATOM 660 C LYS A 43 -6.779 -6.157 -7.053 1.00 0.00 C ATOM 661 O LYS A 43 -7.183 -6.147 -8.216 1.00 0.00 O ATOM 662 CB LYS A 43 -8.481 -7.640 -5.971 1.00 0.00 C ATOM 663 CG LYS A 43 -9.649 -7.648 -6.945 1.00 0.00 C ATOM 664 CD LYS A 43 -10.984 -7.603 -6.219 1.00 0.00 C ATOM 665 CE LYS A 43 -11.196 -8.844 -5.368 1.00 0.00 C ATOM 666 NZ LYS A 43 -12.001 -9.875 -6.079 1.00 0.00 N ATOM 0 H LYS A 43 -9.293 -5.138 -6.720 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.189 -6.254 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.768 -8.410 -6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.845 -7.907 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.570 -6.792 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.601 -8.544 -7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.026 -6.716 -5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.792 -7.516 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.229 -9.265 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.698 -8.567 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.123 -10.705 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.934 -9.482 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.510 -10.159 -6.951 1.00 0.00 H new ATOM 680 N ARG A 44 -5.493 -6.052 -6.733 1.00 0.00 N ATOM 681 CA ARG A 44 -4.461 -5.915 -7.753 1.00 0.00 C ATOM 682 C ARG A 44 -3.323 -6.899 -7.510 1.00 0.00 C ATOM 683 O ARG A 44 -3.135 -7.384 -6.395 1.00 0.00 O ATOM 684 CB ARG A 44 -3.920 -4.483 -7.774 1.00 0.00 C ATOM 685 CG ARG A 44 -2.994 -4.158 -6.609 1.00 0.00 C ATOM 686 CD ARG A 44 -2.545 -2.707 -6.638 1.00 0.00 C ATOM 687 NE ARG A 44 -3.663 -1.784 -6.457 1.00 0.00 N ATOM 688 CZ ARG A 44 -4.436 -1.350 -7.449 1.00 0.00 C ATOM 689 NH1 ARG A 44 -4.203 -1.728 -8.701 1.00 0.00 N ATOM 690 NH2 ARG A 44 -5.444 -0.530 -7.190 1.00 0.00 N ATOM 0 H ARG A 44 -5.141 -6.059 -5.776 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.910 -6.139 -8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.383 -4.321 -8.709 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.759 -3.787 -7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.506 -4.362 -5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.121 -4.810 -6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.807 -2.540 -5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.053 -2.499 -7.588 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.863 -1.452 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.426 -2.356 -8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.801 -1.390 -9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.626 -0.233 -6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.038 -0.196 -7.949 1.00 0.00 H new ATOM 704 N ARG A 45 -2.561 -7.184 -8.560 1.00 0.00 N ATOM 705 CA ARG A 45 -1.436 -8.102 -8.454 1.00 0.00 C ATOM 706 C ARG A 45 -0.250 -7.410 -7.788 1.00 0.00 C ATOM 707 O ARG A 45 -0.146 -6.184 -7.811 1.00 0.00 O ATOM 708 CB ARG A 45 -1.035 -8.617 -9.838 1.00 0.00 C ATOM 709 CG ARG A 45 -0.541 -7.526 -10.773 1.00 0.00 C ATOM 710 CD ARG A 45 -0.857 -7.850 -12.225 1.00 0.00 C ATOM 711 NE ARG A 45 -2.233 -7.503 -12.574 1.00 0.00 N ATOM 712 CZ ARG A 45 -2.880 -8.003 -13.626 1.00 0.00 C ATOM 713 NH1 ARG A 45 -2.278 -8.867 -14.434 1.00 0.00 N ATOM 714 NH2 ARG A 45 -4.130 -7.637 -13.871 1.00 0.00 N ATOM 0 H ARG A 45 -2.702 -6.793 -9.491 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.738 -8.950 -7.840 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.253 -9.368 -9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.891 -9.114 -10.294 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.003 -6.577 -10.502 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.535 -7.402 -10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.170 -7.309 -12.875 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.694 -8.913 -12.403 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.727 -6.839 -11.977 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.316 -9.151 -14.251 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.778 -9.247 -15.238 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.597 -6.972 -13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.625 -8.020 -14.676 1.00 0.00 H new ATOM 728 N PHE A 46 0.641 -8.198 -7.196 1.00 0.00 N ATOM 729 CA PHE A 46 1.816 -7.649 -6.525 1.00 0.00 C ATOM 730 C PHE A 46 2.605 -6.737 -7.460 1.00 0.00 C ATOM 731 O PHE A 46 3.258 -5.792 -7.018 1.00 0.00 O ATOM 732 CB PHE A 46 2.715 -8.780 -6.019 1.00 0.00 C ATOM 733 CG PHE A 46 3.948 -8.296 -5.307 1.00 0.00 C ATOM 734 CD1 PHE A 46 3.902 -7.963 -3.962 1.00 0.00 C ATOM 735 CD2 PHE A 46 5.151 -8.174 -5.983 1.00 0.00 C ATOM 736 CE1 PHE A 46 5.034 -7.517 -3.306 1.00 0.00 C ATOM 737 CE2 PHE A 46 6.286 -7.729 -5.332 1.00 0.00 C ATOM 738 CZ PHE A 46 6.227 -7.400 -3.991 1.00 0.00 C ATOM 0 H PHE A 46 0.574 -9.215 -7.166 1.00 0.00 H new ATOM 0 HA PHE A 46 1.473 -7.057 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.141 -9.415 -5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.013 -9.401 -6.864 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.972 -8.053 -3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.203 -8.430 -7.031 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.985 -7.260 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.218 -7.638 -5.870 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.112 -7.052 -3.480 1.00 0.00 H new ATOM 748 N SER A 47 2.543 -7.030 -8.754 1.00 0.00 N ATOM 749 CA SER A 47 3.253 -6.243 -9.754 1.00 0.00 C ATOM 750 C SER A 47 2.645 -4.849 -9.902 1.00 0.00 C ATOM 751 O SER A 47 3.348 -3.890 -10.219 1.00 0.00 O ATOM 752 CB SER A 47 3.234 -6.963 -11.103 1.00 0.00 C ATOM 753 OG SER A 47 4.297 -6.527 -11.931 1.00 0.00 O ATOM 0 H SER A 47 2.007 -7.809 -9.135 1.00 0.00 H new ATOM 0 HA SER A 47 4.284 -6.130 -9.418 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.310 -8.039 -10.945 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.282 -6.781 -11.602 1.00 0.00 H new ATOM 0 HG SER A 47 4.262 -7.004 -12.786 1.00 0.00 H new ATOM 759 N ASP A 48 1.339 -4.744 -9.679 1.00 0.00 N ATOM 760 CA ASP A 48 0.646 -3.465 -9.803 1.00 0.00 C ATOM 761 C ASP A 48 0.934 -2.559 -8.608 1.00 0.00 C ATOM 762 O ASP A 48 1.325 -1.404 -8.777 1.00 0.00 O ATOM 763 CB ASP A 48 -0.860 -3.690 -9.934 1.00 0.00 C ATOM 764 CG ASP A 48 -1.539 -2.604 -10.746 1.00 0.00 C ATOM 765 OD1 ASP A 48 -1.011 -1.472 -10.781 1.00 0.00 O ATOM 766 OD2 ASP A 48 -2.599 -2.884 -11.345 1.00 0.00 O ATOM 0 H ASP A 48 0.740 -5.526 -9.412 1.00 0.00 H new ATOM 0 HA ASP A 48 1.016 -2.971 -10.701 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.041 -4.657 -10.403 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.306 -3.730 -8.940 1.00 0.00 H new ATOM 771 N PHE A 49 0.742 -3.084 -7.403 1.00 0.00 N ATOM 772 CA PHE A 49 0.986 -2.312 -6.187 1.00 0.00 C ATOM 773 C PHE A 49 2.444 -1.879 -6.096 1.00 0.00 C ATOM 774 O PHE A 49 2.765 -0.870 -5.468 1.00 0.00 O ATOM 775 CB PHE A 49 0.597 -3.107 -4.942 1.00 0.00 C ATOM 776 CG PHE A 49 0.356 -2.235 -3.742 1.00 0.00 C ATOM 777 CD1 PHE A 49 1.421 -1.709 -3.028 1.00 0.00 C ATOM 778 CD2 PHE A 49 -0.933 -1.932 -3.336 1.00 0.00 C ATOM 779 CE1 PHE A 49 1.204 -0.898 -1.930 1.00 0.00 C ATOM 780 CE2 PHE A 49 -1.156 -1.123 -2.238 1.00 0.00 C ATOM 781 CZ PHE A 49 -0.086 -0.605 -1.534 1.00 0.00 C ATOM 0 H PHE A 49 0.419 -4.038 -7.241 1.00 0.00 H new ATOM 0 HA PHE A 49 0.362 -1.420 -6.236 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.304 -3.684 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.387 -3.822 -4.712 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.432 -1.935 -3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.773 -2.332 -3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.043 -0.494 -1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.166 -0.896 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.258 0.028 -0.676 1.00 0.00 H new ATOM 791 N LEU A 50 3.326 -2.651 -6.722 1.00 0.00 N ATOM 792 CA LEU A 50 4.753 -2.353 -6.706 1.00 0.00 C ATOM 793 C LEU A 50 5.016 -0.933 -7.202 1.00 0.00 C ATOM 794 O LEU A 50 5.949 -0.274 -6.748 1.00 0.00 O ATOM 795 CB LEU A 50 5.516 -3.359 -7.571 1.00 0.00 C ATOM 796 CG LEU A 50 7.028 -3.139 -7.639 1.00 0.00 C ATOM 797 CD1 LEU A 50 7.663 -3.360 -6.275 1.00 0.00 C ATOM 798 CD2 LEU A 50 7.653 -4.060 -8.676 1.00 0.00 C ATOM 0 H LEU A 50 3.077 -3.489 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 50 5.105 -2.431 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.327 -4.362 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.113 -3.324 -8.583 1.00 0.00 H new ATOM 0 HG LEU A 50 7.213 -2.107 -7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.739 -3.199 -6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.236 -2.659 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.470 -4.381 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.729 -3.891 -8.712 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.458 -5.098 -8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.220 -3.852 -9.655 1.00 0.00 H new ATOM 810 N GLY A 51 4.190 -0.468 -8.134 1.00 0.00 N ATOM 811 CA GLY A 51 4.354 0.873 -8.669 1.00 0.00 C ATOM 812 C GLY A 51 4.520 1.923 -7.583 1.00 0.00 C ATOM 813 O GLY A 51 5.279 2.877 -7.746 1.00 0.00 O ATOM 0 H GLY A 51 3.411 -0.995 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.225 0.894 -9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.488 1.124 -9.281 1.00 0.00 H new ATOM 817 N LEU A 52 3.818 1.742 -6.468 1.00 0.00 N ATOM 818 CA LEU A 52 3.901 2.673 -5.347 1.00 0.00 C ATOM 819 C LEU A 52 5.098 2.344 -4.484 1.00 0.00 C ATOM 820 O LEU A 52 5.957 3.185 -4.224 1.00 0.00 O ATOM 821 CB LEU A 52 2.635 2.592 -4.491 1.00 0.00 C ATOM 822 CG LEU A 52 1.342 3.034 -5.174 1.00 0.00 C ATOM 823 CD1 LEU A 52 0.383 3.610 -4.145 1.00 0.00 C ATOM 824 CD2 LEU A 52 1.637 4.045 -6.270 1.00 0.00 C ATOM 0 H LEU A 52 3.184 0.957 -6.317 1.00 0.00 H new ATOM 0 HA LEU A 52 4.004 3.681 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.512 1.563 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.781 3.204 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 52 0.871 2.167 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.537 3.923 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.153 2.851 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.844 4.470 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.704 4.349 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.125 4.918 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.294 3.594 -7.014 1.00 0.00 H new ATOM 836 N TYR A 53 5.125 1.103 -4.035 1.00 0.00 N ATOM 837 CA TYR A 53 6.195 0.613 -3.177 1.00 0.00 C ATOM 838 C TYR A 53 7.565 0.876 -3.800 1.00 0.00 C ATOM 839 O TYR A 53 8.502 1.282 -3.111 1.00 0.00 O ATOM 840 CB TYR A 53 6.011 -0.886 -2.914 1.00 0.00 C ATOM 841 CG TYR A 53 7.161 -1.525 -2.167 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.198 -1.528 -0.778 1.00 0.00 C ATOM 843 CD2 TYR A 53 8.209 -2.126 -2.851 1.00 0.00 C ATOM 844 CE1 TYR A 53 8.246 -2.111 -0.092 1.00 0.00 C ATOM 845 CE2 TYR A 53 9.261 -2.712 -2.174 1.00 0.00 C ATOM 846 CZ TYR A 53 9.275 -2.702 -0.795 1.00 0.00 C ATOM 847 OH TYR A 53 10.321 -3.285 -0.117 1.00 0.00 O ATOM 0 H TYR A 53 4.411 0.407 -4.252 1.00 0.00 H new ATOM 0 HA TYR A 53 6.147 1.151 -2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.094 -1.035 -2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.881 -1.398 -3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.393 -1.066 -0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.202 -2.136 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.259 -2.104 0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.068 -3.175 -2.722 1.00 0.00 H new ATOM 0 HH TYR A 53 10.961 -3.656 -0.760 1.00 0.00 H new ATOM 857 N GLU A 54 7.675 0.647 -5.103 1.00 0.00 N ATOM 858 CA GLU A 54 8.930 0.865 -5.814 1.00 0.00 C ATOM 859 C GLU A 54 9.173 2.352 -6.055 1.00 0.00 C ATOM 860 O GLU A 54 10.296 2.837 -5.917 1.00 0.00 O ATOM 861 CB GLU A 54 8.920 0.119 -7.150 1.00 0.00 C ATOM 862 CG GLU A 54 10.293 -0.371 -7.584 1.00 0.00 C ATOM 863 CD GLU A 54 10.243 -1.194 -8.857 1.00 0.00 C ATOM 864 OE1 GLU A 54 9.733 -0.682 -9.875 1.00 0.00 O ATOM 865 OE2 GLU A 54 10.714 -2.351 -8.834 1.00 0.00 O ATOM 0 H GLU A 54 6.911 0.311 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 54 9.738 0.479 -5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.246 -0.734 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.518 0.776 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.949 0.486 -7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.730 -0.970 -6.785 1.00 0.00 H new ATOM 872 N LYS A 55 8.115 3.069 -6.423 1.00 0.00 N ATOM 873 CA LYS A 55 8.215 4.500 -6.691 1.00 0.00 C ATOM 874 C LYS A 55 8.614 5.271 -5.435 1.00 0.00 C ATOM 875 O LYS A 55 9.528 6.095 -5.467 1.00 0.00 O ATOM 876 CB LYS A 55 6.884 5.033 -7.232 1.00 0.00 C ATOM 877 CG LYS A 55 6.887 6.533 -7.487 1.00 0.00 C ATOM 878 CD LYS A 55 5.667 7.207 -6.878 1.00 0.00 C ATOM 879 CE LYS A 55 4.601 7.485 -7.926 1.00 0.00 C ATOM 880 NZ LYS A 55 5.160 8.186 -9.115 1.00 0.00 N ATOM 0 H LYS A 55 7.179 2.682 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 55 8.992 4.647 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.646 4.515 -8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.092 4.795 -6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.793 6.972 -7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.909 6.720 -8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.252 6.572 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.965 8.142 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.146 6.545 -8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.809 8.091 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.575 9.017 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.133 8.492 -8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.163 7.539 -9.929 1.00 0.00 H new ATOM 894 N LEU A 56 7.921 5.004 -4.333 1.00 0.00 N ATOM 895 CA LEU A 56 8.205 5.680 -3.073 1.00 0.00 C ATOM 896 C LEU A 56 9.602 5.326 -2.565 1.00 0.00 C ATOM 897 O LEU A 56 10.374 6.204 -2.185 1.00 0.00 O ATOM 898 CB LEU A 56 7.157 5.307 -2.022 1.00 0.00 C ATOM 899 CG LEU A 56 5.915 6.204 -1.986 1.00 0.00 C ATOM 900 CD1 LEU A 56 6.315 7.671 -1.899 1.00 0.00 C ATOM 901 CD2 LEU A 56 5.040 5.959 -3.208 1.00 0.00 C ATOM 0 H LEU A 56 7.160 4.326 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 56 8.165 6.755 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.838 4.280 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.629 5.328 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 56 5.338 5.953 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.419 8.292 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.896 7.837 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.916 7.936 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.164 6.605 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.608 6.179 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.722 4.917 -3.224 1.00 0.00 H new ATOM 913 N SER A 57 9.917 4.033 -2.562 1.00 0.00 N ATOM 914 CA SER A 57 11.220 3.565 -2.100 1.00 0.00 C ATOM 915 C SER A 57 12.348 4.202 -2.907 1.00 0.00 C ATOM 916 O SER A 57 13.399 4.539 -2.364 1.00 0.00 O ATOM 917 CB SER A 57 11.305 2.042 -2.202 1.00 0.00 C ATOM 918 OG SER A 57 12.318 1.528 -1.354 1.00 0.00 O ATOM 0 H SER A 57 9.289 3.292 -2.874 1.00 0.00 H new ATOM 0 HA SER A 57 11.332 3.860 -1.057 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.344 1.603 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.510 1.755 -3.233 1.00 0.00 H new ATOM 0 HG SER A 57 12.350 0.552 -1.437 1.00 0.00 H new ATOM 924 N GLU A 58 12.121 4.362 -4.206 1.00 0.00 N ATOM 925 CA GLU A 58 13.118 4.958 -5.089 1.00 0.00 C ATOM 926 C GLU A 58 13.260 6.452 -4.815 1.00 0.00 C ATOM 927 O GLU A 58 14.371 6.978 -4.747 1.00 0.00 O ATOM 928 CB GLU A 58 12.738 4.727 -6.553 1.00 0.00 C ATOM 929 CG GLU A 58 13.563 3.646 -7.232 1.00 0.00 C ATOM 930 CD GLU A 58 14.942 4.133 -7.635 1.00 0.00 C ATOM 931 OE1 GLU A 58 15.434 5.100 -7.017 1.00 0.00 O ATOM 932 OE2 GLU A 58 15.530 3.546 -8.568 1.00 0.00 O ATOM 0 H GLU A 58 11.256 4.088 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 58 14.077 4.478 -4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.684 4.456 -6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.856 5.661 -7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.664 2.795 -6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.034 3.292 -8.117 1.00 0.00 H new ATOM 939 N LYS A 59 12.128 7.131 -4.659 1.00 0.00 N ATOM 940 CA LYS A 59 12.126 8.565 -4.394 1.00 0.00 C ATOM 941 C LYS A 59 12.830 8.881 -3.077 1.00 0.00 C ATOM 942 O LYS A 59 13.347 9.982 -2.890 1.00 0.00 O ATOM 943 CB LYS A 59 10.693 9.098 -4.360 1.00 0.00 C ATOM 944 CG LYS A 59 10.152 9.475 -5.730 1.00 0.00 C ATOM 945 CD LYS A 59 11.025 10.521 -6.407 1.00 0.00 C ATOM 946 CE LYS A 59 11.603 10.005 -7.715 1.00 0.00 C ATOM 947 NZ LYS A 59 12.917 9.333 -7.514 1.00 0.00 N ATOM 0 H LYS A 59 11.200 6.711 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 59 12.670 9.056 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.044 8.343 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.655 9.972 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.096 8.585 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.137 9.858 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.437 11.419 -6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.836 10.807 -5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.903 9.305 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.722 10.835 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.409 9.254 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.496 9.892 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.764 8.383 -7.119 1.00 0.00 H new ATOM 961 N HIS A 60 12.845 7.909 -2.167 1.00 0.00 N ATOM 962 CA HIS A 60 13.485 8.083 -0.865 1.00 0.00 C ATOM 963 C HIS A 60 12.766 9.149 -0.043 1.00 0.00 C ATOM 964 O HIS A 60 12.015 8.831 0.880 1.00 0.00 O ATOM 965 CB HIS A 60 14.961 8.454 -1.039 1.00 0.00 C ATOM 966 CG HIS A 60 15.682 8.673 0.255 1.00 0.00 C ATOM 967 ND1 HIS A 60 16.068 9.920 0.701 1.00 0.00 N ATOM 968 CD2 HIS A 60 16.090 7.795 1.203 1.00 0.00 C ATOM 969 CE1 HIS A 60 16.682 9.799 1.865 1.00 0.00 C ATOM 970 NE2 HIS A 60 16.708 8.520 2.191 1.00 0.00 N ATOM 0 H HIS A 60 12.421 6.992 -2.308 1.00 0.00 H new ATOM 0 HA HIS A 60 13.422 7.136 -0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 60 15.463 7.662 -1.595 1.00 0.00 H new ATOM 0 HB3 HIS A 60 15.031 9.360 -1.642 1.00 0.00 H new ATOM 0 HD2 HIS A 60 15.954 6.724 1.185 1.00 0.00 H new ATOM 0 HE1 HIS A 60 17.093 10.609 2.450 1.00 0.00 H new ATOM 0 HE2 HIS A 60 17.121 8.133 3.040 1.00 0.00 H new ATOM 979 N SER A 61 13.002 10.413 -0.380 1.00 0.00 N ATOM 980 CA SER A 61 12.375 11.522 0.329 1.00 0.00 C ATOM 981 C SER A 61 11.895 12.591 -0.648 1.00 0.00 C ATOM 982 O SER A 61 12.173 12.520 -1.845 1.00 0.00 O ATOM 983 CB SER A 61 13.355 12.134 1.332 1.00 0.00 C ATOM 984 OG SER A 61 13.566 11.267 2.434 1.00 0.00 O ATOM 0 H SER A 61 13.622 10.694 -1.139 1.00 0.00 H new ATOM 0 HA SER A 61 11.511 11.133 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.305 12.338 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.968 13.090 1.686 1.00 0.00 H new ATOM 0 HG SER A 61 14.197 11.680 3.059 1.00 0.00 H new ATOM 990 N GLN A 62 11.173 13.579 -0.129 1.00 0.00 N ATOM 991 CA GLN A 62 10.655 14.662 -0.957 1.00 0.00 C ATOM 992 C GLN A 62 9.985 15.731 -0.100 1.00 0.00 C ATOM 993 O GLN A 62 9.240 15.420 0.828 1.00 0.00 O ATOM 994 CB GLN A 62 9.658 14.115 -1.982 1.00 0.00 C ATOM 995 CG GLN A 62 9.098 15.178 -2.911 1.00 0.00 C ATOM 996 CD GLN A 62 7.988 14.650 -3.798 1.00 0.00 C ATOM 997 OE1 GLN A 62 7.344 13.651 -3.479 1.00 0.00 O ATOM 998 NE2 GLN A 62 7.757 15.321 -4.922 1.00 0.00 N ATOM 0 H GLN A 62 10.934 13.652 0.860 1.00 0.00 H new ATOM 0 HA GLN A 62 11.494 15.117 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.148 13.345 -2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.834 13.634 -1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.719 16.011 -2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.901 15.570 -3.535 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.315 16.145 -5.148 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.022 15.012 -5.558 1.00 0.00 H new ATOM 1007 N ASN A 63 10.256 16.993 -0.420 1.00 0.00 N ATOM 1008 CA ASN A 63 9.681 18.111 0.319 1.00 0.00 C ATOM 1009 C ASN A 63 8.494 18.707 -0.434 1.00 0.00 C ATOM 1010 O ASN A 63 8.417 18.618 -1.659 1.00 0.00 O ATOM 1011 CB ASN A 63 10.739 19.189 0.563 1.00 0.00 C ATOM 1012 CG ASN A 63 11.352 19.700 -0.727 1.00 0.00 C ATOM 1013 OD1 ASN A 63 10.650 20.204 -1.604 1.00 0.00 O ATOM 1014 ND2 ASN A 63 12.667 19.573 -0.848 1.00 0.00 N ATOM 0 H ASN A 63 10.871 17.266 -1.187 1.00 0.00 H new ATOM 0 HA ASN A 63 9.329 17.736 1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.288 20.022 1.102 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.525 18.785 1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.135 19.899 -1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 63 13.210 19.149 -0.096 1.00 0.00 H new ATOM 1021 N GLY A 64 7.572 19.311 0.308 1.00 0.00 N ATOM 1022 CA GLY A 64 6.400 19.912 -0.307 1.00 0.00 C ATOM 1023 C GLY A 64 5.096 19.372 0.255 1.00 0.00 C ATOM 1024 O GLY A 64 4.028 19.611 -0.307 1.00 0.00 O ATOM 0 H GLY A 64 7.614 19.396 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.433 20.992 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.428 19.734 -1.382 1.00 0.00 H new ATOM 1028 N PHE A 65 5.179 18.644 1.365 1.00 0.00 N ATOM 1029 CA PHE A 65 3.996 18.074 1.998 1.00 0.00 C ATOM 1030 C PHE A 65 3.681 18.804 3.301 1.00 0.00 C ATOM 1031 O PHE A 65 3.724 18.214 4.380 1.00 0.00 O ATOM 1032 CB PHE A 65 4.204 16.583 2.271 1.00 0.00 C ATOM 1033 CG PHE A 65 4.598 15.792 1.054 1.00 0.00 C ATOM 1034 CD1 PHE A 65 5.802 16.036 0.411 1.00 0.00 C ATOM 1035 CD2 PHE A 65 3.764 14.806 0.555 1.00 0.00 C ATOM 1036 CE1 PHE A 65 6.165 15.310 -0.707 1.00 0.00 C ATOM 1037 CE2 PHE A 65 4.122 14.076 -0.563 1.00 0.00 C ATOM 1038 CZ PHE A 65 5.324 14.329 -1.195 1.00 0.00 C ATOM 0 H PHE A 65 6.055 18.435 1.844 1.00 0.00 H new ATOM 0 HA PHE A 65 3.153 18.194 1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.974 16.467 3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.284 16.167 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.463 16.802 0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.823 14.605 1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.106 15.509 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.463 13.309 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.606 13.761 -2.069 1.00 0.00 H new ATOM 1048 N ILE A 66 3.372 20.094 3.192 1.00 0.00 N ATOM 1049 CA ILE A 66 3.059 20.909 4.362 1.00 0.00 C ATOM 1050 C ILE A 66 4.305 21.145 5.208 1.00 0.00 C ATOM 1051 O ILE A 66 4.778 22.275 5.335 1.00 0.00 O ATOM 1052 CB ILE A 66 1.973 20.256 5.238 1.00 0.00 C ATOM 1053 CG1 ILE A 66 0.783 19.826 4.378 1.00 0.00 C ATOM 1054 CG2 ILE A 66 1.527 21.216 6.332 1.00 0.00 C ATOM 1055 CD1 ILE A 66 0.799 18.357 4.013 1.00 0.00 C ATOM 0 H ILE A 66 3.332 20.597 2.305 1.00 0.00 H new ATOM 0 HA ILE A 66 2.682 21.862 3.991 1.00 0.00 H new ATOM 0 HB ILE A 66 2.393 19.368 5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.140 20.049 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.773 20.419 3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.759 20.740 6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.380 21.475 6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.121 22.121 5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.074 18.124 3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.705 18.132 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.777 17.756 4.922 1.00 0.00 H new ATOM 1067 N VAL A 67 4.833 20.071 5.783 1.00 0.00 N ATOM 1068 CA VAL A 67 6.027 20.152 6.616 1.00 0.00 C ATOM 1069 C VAL A 67 7.264 19.731 5.824 1.00 0.00 C ATOM 1070 O VAL A 67 7.185 18.862 4.956 1.00 0.00 O ATOM 1071 CB VAL A 67 5.907 19.270 7.881 1.00 0.00 C ATOM 1072 CG1 VAL A 67 6.530 19.969 9.082 1.00 0.00 C ATOM 1073 CG2 VAL A 67 4.452 18.915 8.163 1.00 0.00 C ATOM 0 H VAL A 67 4.451 19.130 5.687 1.00 0.00 H new ATOM 0 HA VAL A 67 6.127 21.191 6.929 1.00 0.00 H new ATOM 0 HB VAL A 67 6.452 18.343 7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.436 19.333 9.962 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.585 20.161 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.016 20.914 9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.396 18.295 9.057 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.878 19.829 8.318 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.040 18.368 7.315 1.00 0.00 H new ATOM 1083 N PRO A 68 8.427 20.346 6.105 1.00 0.00 N ATOM 1084 CA PRO A 68 9.677 20.029 5.405 1.00 0.00 C ATOM 1085 C PRO A 68 9.992 18.533 5.404 1.00 0.00 C ATOM 1086 O PRO A 68 10.366 17.975 4.372 1.00 0.00 O ATOM 1087 CB PRO A 68 10.737 20.804 6.191 1.00 0.00 C ATOM 1088 CG PRO A 68 9.991 21.928 6.825 1.00 0.00 C ATOM 1089 CD PRO A 68 8.615 21.399 7.122 1.00 0.00 C ATOM 0 HA PRO A 68 9.627 20.302 4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.214 20.173 6.941 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.526 21.172 5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.487 22.259 7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.942 22.789 6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.548 20.998 8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.858 22.179 7.038 1.00 0.00 H new ATOM 1097 N PRO A 69 9.850 17.856 6.559 1.00 0.00 N ATOM 1098 CA PRO A 69 10.126 16.419 6.667 1.00 0.00 C ATOM 1099 C PRO A 69 9.419 15.608 5.580 1.00 0.00 C ATOM 1100 O PRO A 69 8.306 15.943 5.173 1.00 0.00 O ATOM 1101 CB PRO A 69 9.578 16.054 8.048 1.00 0.00 C ATOM 1102 CG PRO A 69 9.651 17.319 8.829 1.00 0.00 C ATOM 1103 CD PRO A 69 9.410 18.431 7.845 1.00 0.00 C ATOM 0 HA PRO A 69 11.186 16.198 6.543 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.554 15.687 7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.170 15.266 8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.903 17.331 9.622 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.625 17.426 9.307 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.360 18.721 7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.980 19.324 8.101 1.00 0.00 H new ATOM 1111 N PRO A 70 10.055 14.526 5.093 1.00 0.00 N ATOM 1112 CA PRO A 70 9.475 13.672 4.049 1.00 0.00 C ATOM 1113 C PRO A 70 8.084 13.164 4.418 1.00 0.00 C ATOM 1114 O PRO A 70 7.620 13.355 5.542 1.00 0.00 O ATOM 1115 CB PRO A 70 10.459 12.503 3.952 1.00 0.00 C ATOM 1116 CG PRO A 70 11.749 13.046 4.460 1.00 0.00 C ATOM 1117 CD PRO A 70 11.386 14.050 5.519 1.00 0.00 C ATOM 0 HA PRO A 70 9.342 14.214 3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.125 11.655 4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.555 12.152 2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.372 12.252 4.872 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.319 13.514 3.657 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.353 13.596 6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.109 14.865 5.566 1.00 0.00 H new ATOM 1125 N PRO A 71 7.396 12.503 3.469 1.00 0.00 N ATOM 1126 CA PRO A 71 6.051 11.963 3.696 1.00 0.00 C ATOM 1127 C PRO A 71 5.988 11.067 4.930 1.00 0.00 C ATOM 1128 O PRO A 71 5.102 11.215 5.771 1.00 0.00 O ATOM 1129 CB PRO A 71 5.774 11.148 2.431 1.00 0.00 C ATOM 1130 CG PRO A 71 6.642 11.759 1.387 1.00 0.00 C ATOM 1131 CD PRO A 71 7.877 12.231 2.101 1.00 0.00 C ATOM 0 HA PRO A 71 5.322 12.752 3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.014 10.095 2.578 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.722 11.199 2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.892 11.033 0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.135 12.589 0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.660 11.473 2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.294 13.125 1.636 1.00 0.00 H new ATOM 1139 N GLU A 72 6.935 10.140 5.029 1.00 0.00 N ATOM 1140 CA GLU A 72 6.991 9.216 6.158 1.00 0.00 C ATOM 1141 C GLU A 72 8.201 8.291 6.048 1.00 0.00 C ATOM 1142 O GLU A 72 8.806 7.923 7.056 1.00 0.00 O ATOM 1143 CB GLU A 72 5.709 8.384 6.232 1.00 0.00 C ATOM 1144 CG GLU A 72 5.567 7.602 7.528 1.00 0.00 C ATOM 1145 CD GLU A 72 4.221 7.814 8.193 1.00 0.00 C ATOM 1146 OE1 GLU A 72 3.245 8.117 7.475 1.00 0.00 O ATOM 1147 OE2 GLU A 72 4.142 7.675 9.433 1.00 0.00 O ATOM 0 H GLU A 72 7.676 10.008 4.340 1.00 0.00 H new ATOM 0 HA GLU A 72 7.087 9.807 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.850 9.045 6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.688 7.688 5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.704 6.540 7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.359 7.899 8.216 1.00 0.00 H new ATOM 1154 N LYS A 73 8.547 7.918 4.816 1.00 0.00 N ATOM 1155 CA LYS A 73 9.685 7.034 4.565 1.00 0.00 C ATOM 1156 C LYS A 73 9.341 5.581 4.886 1.00 0.00 C ATOM 1157 O LYS A 73 10.229 4.740 5.013 1.00 0.00 O ATOM 1158 CB LYS A 73 10.904 7.475 5.380 1.00 0.00 C ATOM 1159 CG LYS A 73 12.226 7.282 4.653 1.00 0.00 C ATOM 1160 CD LYS A 73 12.962 6.046 5.149 1.00 0.00 C ATOM 1161 CE LYS A 73 14.280 6.410 5.817 1.00 0.00 C ATOM 1162 NZ LYS A 73 15.291 6.883 4.831 1.00 0.00 N ATOM 0 H LYS A 73 8.054 8.215 3.974 1.00 0.00 H new ATOM 0 HA LYS A 73 9.925 7.102 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.794 8.527 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.928 6.914 6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.043 7.192 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.853 8.162 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.332 5.506 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.151 5.374 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.107 7.188 6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.670 5.542 6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.174 7.121 5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.475 6.132 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.930 7.727 4.342 1.00 0.00 H new ATOM 1176 N SER A 74 8.046 5.291 5.013 1.00 0.00 N ATOM 1177 CA SER A 74 7.581 3.938 5.315 1.00 0.00 C ATOM 1178 C SER A 74 7.986 3.514 6.726 1.00 0.00 C ATOM 1179 O SER A 74 7.133 3.300 7.587 1.00 0.00 O ATOM 1180 CB SER A 74 8.119 2.941 4.283 1.00 0.00 C ATOM 1181 OG SER A 74 9.396 2.448 4.650 1.00 0.00 O ATOM 0 H SER A 74 7.299 5.978 4.911 1.00 0.00 H new ATOM 0 HA SER A 74 6.492 3.941 5.264 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.422 2.109 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.181 3.424 3.308 1.00 0.00 H new ATOM 0 HG SER A 74 10.069 3.147 4.510 1.00 0.00 H new ATOM 1187 N LEU A 75 9.290 3.392 6.959 1.00 0.00 N ATOM 1188 CA LEU A 75 9.799 2.992 8.266 1.00 0.00 C ATOM 1189 C LEU A 75 9.268 1.616 8.657 1.00 0.00 C ATOM 1190 O LEU A 75 8.928 1.377 9.816 1.00 0.00 O ATOM 1191 CB LEU A 75 9.411 4.023 9.327 1.00 0.00 C ATOM 1192 CG LEU A 75 10.448 4.242 10.430 1.00 0.00 C ATOM 1193 CD1 LEU A 75 9.928 5.231 11.461 1.00 0.00 C ATOM 1194 CD2 LEU A 75 10.807 2.920 11.092 1.00 0.00 C ATOM 0 H LEU A 75 10.012 3.564 6.260 1.00 0.00 H new ATOM 0 HA LEU A 75 10.886 2.939 8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.222 4.976 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.474 3.712 9.788 1.00 0.00 H new ATOM 0 HG LEU A 75 11.349 4.658 9.979 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.679 5.375 12.238 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.719 6.185 10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.013 4.843 11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.546 3.094 11.874 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.912 2.477 11.530 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.221 2.240 10.347 1.00 0.00 H new ATOM 1206 N ILE A 76 9.199 0.715 7.684 1.00 0.00 N ATOM 1207 CA ILE A 76 8.709 -0.635 7.927 1.00 0.00 C ATOM 1208 C ILE A 76 9.347 -1.634 6.962 1.00 0.00 C ATOM 1209 O ILE A 76 8.653 -2.363 6.252 1.00 0.00 O ATOM 1210 CB ILE A 76 7.170 -0.702 7.801 1.00 0.00 C ATOM 1211 CG1 ILE A 76 6.650 -2.057 8.288 1.00 0.00 C ATOM 1212 CG2 ILE A 76 6.735 -0.443 6.365 1.00 0.00 C ATOM 1213 CD1 ILE A 76 7.058 -2.386 9.707 1.00 0.00 C ATOM 0 H ILE A 76 9.476 0.896 6.719 1.00 0.00 H new ATOM 0 HA ILE A 76 8.989 -0.901 8.946 1.00 0.00 H new ATOM 0 HB ILE A 76 6.741 0.077 8.431 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.562 -2.065 8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.017 -2.838 7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.648 -0.495 6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.070 0.547 6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.175 -1.196 5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.655 -3.360 9.985 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.146 -2.410 9.777 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.668 -1.625 10.383 1.00 0.00 H new ATOM 1225 N GLY A 77 10.675 -1.660 6.942 1.00 0.00 N ATOM 1226 CA GLY A 77 11.386 -2.571 6.062 1.00 0.00 C ATOM 1227 C GLY A 77 12.892 -2.412 6.150 1.00 0.00 C ATOM 1228 O GLY A 77 13.593 -2.529 5.146 1.00 0.00 O ATOM 0 H GLY A 77 11.272 -1.067 7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.118 -3.597 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.066 -2.401 5.034 1.00 0.00 H new ATOM 1232 N MET A 78 13.390 -2.147 7.354 1.00 0.00 N ATOM 1233 CA MET A 78 14.822 -1.974 7.566 1.00 0.00 C ATOM 1234 C MET A 78 15.292 -2.772 8.777 1.00 0.00 C ATOM 1235 O MET A 78 15.208 -2.303 9.912 1.00 0.00 O ATOM 1236 CB MET A 78 15.157 -0.492 7.756 1.00 0.00 C ATOM 1237 CG MET A 78 14.728 0.383 6.590 1.00 0.00 C ATOM 1238 SD MET A 78 15.515 -0.089 5.039 1.00 0.00 S ATOM 1239 CE MET A 78 14.318 0.519 3.854 1.00 0.00 C ATOM 0 H MET A 78 12.823 -2.048 8.196 1.00 0.00 H new ATOM 0 HA MET A 78 15.342 -2.346 6.683 1.00 0.00 H new ATOM 0 HB2 MET A 78 14.675 -0.133 8.665 1.00 0.00 H new ATOM 0 HB3 MET A 78 16.232 -0.387 7.902 1.00 0.00 H new ATOM 0 HG2 MET A 78 13.646 0.324 6.476 1.00 0.00 H new ATOM 0 HG3 MET A 78 14.969 1.422 6.813 1.00 0.00 H new ATOM 0 HE1 MET A 78 14.664 0.301 2.843 1.00 0.00 H new ATOM 0 HE2 MET A 78 13.359 0.030 4.022 1.00 0.00 H new ATOM 0 HE3 MET A 78 14.202 1.596 3.974 1.00 0.00 H new ATOM 1249 N THR A 79 15.784 -3.981 8.527 1.00 0.00 N ATOM 1250 CA THR A 79 16.266 -4.847 9.598 1.00 0.00 C ATOM 1251 C THR A 79 17.747 -5.163 9.417 1.00 0.00 C ATOM 1252 O THR A 79 18.438 -4.515 8.631 1.00 0.00 O ATOM 1253 CB THR A 79 15.451 -6.145 9.638 1.00 0.00 C ATOM 1254 OG1 THR A 79 14.269 -6.020 8.869 1.00 0.00 O ATOM 1255 CG2 THR A 79 15.047 -6.553 11.037 1.00 0.00 C ATOM 0 H THR A 79 15.860 -4.384 7.593 1.00 0.00 H new ATOM 0 HA THR A 79 16.141 -4.320 10.544 1.00 0.00 H new ATOM 0 HB THR A 79 16.109 -6.912 9.228 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.764 -6.859 8.906 1.00 0.00 H new ATOM 0 HG21 THR A 79 14.473 -7.479 10.995 1.00 0.00 H new ATOM 0 HG22 THR A 79 15.940 -6.707 11.643 1.00 0.00 H new ATOM 0 HG23 THR A 79 14.436 -5.768 11.483 1.00 0.00 H new ATOM 1263 N LYS A 80 18.231 -6.162 10.150 1.00 0.00 N ATOM 1264 CA LYS A 80 19.633 -6.561 10.069 1.00 0.00 C ATOM 1265 C LYS A 80 20.011 -6.939 8.641 1.00 0.00 C ATOM 1266 O LYS A 80 19.145 -7.183 7.802 1.00 0.00 O ATOM 1267 CB LYS A 80 19.907 -7.735 11.012 1.00 0.00 C ATOM 1268 CG LYS A 80 21.387 -8.006 11.231 1.00 0.00 C ATOM 1269 CD LYS A 80 22.117 -6.761 11.713 1.00 0.00 C ATOM 1270 CE LYS A 80 23.558 -7.069 12.094 1.00 0.00 C ATOM 1271 NZ LYS A 80 23.807 -6.858 13.546 1.00 0.00 N ATOM 0 H LYS A 80 17.674 -6.709 10.806 1.00 0.00 H new ATOM 0 HA LYS A 80 20.244 -5.711 10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 80 19.436 -7.535 11.975 1.00 0.00 H new ATOM 0 HB3 LYS A 80 19.438 -8.632 10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 80 21.507 -8.805 11.962 1.00 0.00 H new ATOM 0 HG3 LYS A 80 21.836 -8.355 10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 80 22.101 -6.003 10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 80 21.594 -6.342 12.573 1.00 0.00 H new ATOM 0 HE2 LYS A 80 23.790 -8.102 11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 80 24.230 -6.435 11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 24.800 -7.079 13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 23.611 -5.867 13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 23.185 -7.481 14.099 1.00 0.00 H new ATOM 1285 N VAL A 81 21.312 -6.982 8.371 1.00 0.00 N ATOM 1286 CA VAL A 81 21.808 -7.326 7.043 1.00 0.00 C ATOM 1287 C VAL A 81 21.320 -8.704 6.606 1.00 0.00 C ATOM 1288 O VAL A 81 20.863 -8.880 5.477 1.00 0.00 O ATOM 1289 CB VAL A 81 23.348 -7.302 6.997 1.00 0.00 C ATOM 1290 CG1 VAL A 81 23.843 -7.473 5.569 1.00 0.00 C ATOM 1291 CG2 VAL A 81 23.880 -6.014 7.604 1.00 0.00 C ATOM 0 H VAL A 81 22.042 -6.783 9.055 1.00 0.00 H new ATOM 0 HA VAL A 81 21.416 -6.574 6.358 1.00 0.00 H new ATOM 0 HB VAL A 81 23.724 -8.137 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 81 24.933 -7.453 5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 81 23.493 -8.427 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 81 23.459 -6.662 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 81 24.969 -6.015 7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 81 23.496 -5.162 7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 81 23.556 -5.940 8.642 1.00 0.00 H new ATOM 1301 N LYS A 82 21.427 -9.680 7.502 1.00 0.00 N ATOM 1302 CA LYS A 82 21.001 -11.042 7.199 1.00 0.00 C ATOM 1303 C LYS A 82 21.024 -11.916 8.460 1.00 0.00 C ATOM 1304 O LYS A 82 20.714 -11.437 9.548 1.00 0.00 O ATOM 1305 CB LYS A 82 21.899 -11.631 6.105 1.00 0.00 C ATOM 1306 CG LYS A 82 21.168 -12.575 5.162 1.00 0.00 C ATOM 1307 CD LYS A 82 21.933 -13.876 4.957 1.00 0.00 C ATOM 1308 CE LYS A 82 22.373 -14.050 3.511 1.00 0.00 C ATOM 1309 NZ LYS A 82 21.986 -15.382 2.968 1.00 0.00 N ATOM 0 H LYS A 82 21.804 -9.554 8.441 1.00 0.00 H new ATOM 0 HA LYS A 82 19.974 -11.019 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 82 22.334 -10.817 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 82 22.725 -12.166 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.179 -12.795 5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.020 -12.085 4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.808 -13.890 5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.305 -14.717 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.928 -13.265 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.454 -13.931 3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.304 -15.460 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.431 -16.131 3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.952 -15.486 3.008 1.00 0.00 H new ATOM 1323 N VAL A 83 21.382 -13.195 8.300 1.00 0.00 N ATOM 1324 CA VAL A 83 21.439 -14.140 9.416 1.00 0.00 C ATOM 1325 C VAL A 83 20.123 -14.183 10.190 1.00 0.00 C ATOM 1326 O VAL A 83 19.268 -13.311 10.038 1.00 0.00 O ATOM 1327 CB VAL A 83 22.608 -13.829 10.383 1.00 0.00 C ATOM 1328 CG1 VAL A 83 23.914 -13.710 9.613 1.00 0.00 C ATOM 1329 CG2 VAL A 83 22.350 -12.565 11.193 1.00 0.00 C ATOM 0 H VAL A 83 21.638 -13.600 7.400 1.00 0.00 H new ATOM 0 HA VAL A 83 21.614 -15.121 8.974 1.00 0.00 H new ATOM 0 HB VAL A 83 22.685 -14.659 11.086 1.00 0.00 H new ATOM 0 HG11 VAL A 83 24.726 -13.491 10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 83 24.119 -14.648 9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 83 23.834 -12.905 8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 83 23.193 -12.381 11.859 1.00 0.00 H new ATOM 0 HG22 VAL A 83 22.230 -11.718 10.517 1.00 0.00 H new ATOM 0 HG23 VAL A 83 21.442 -12.690 11.783 1.00 0.00 H new ATOM 1339 N GLY A 84 19.964 -15.215 11.013 1.00 0.00 N ATOM 1340 CA GLY A 84 18.749 -15.362 11.792 1.00 0.00 C ATOM 1341 C GLY A 84 17.608 -15.939 10.977 1.00 0.00 C ATOM 1342 O GLY A 84 16.908 -15.209 10.275 1.00 0.00 O ATOM 0 H GLY A 84 20.655 -15.952 11.154 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.945 -16.009 12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.454 -14.390 12.188 1.00 0.00 H new ATOM 1346 N LYS A 85 17.423 -17.253 11.065 1.00 0.00 N ATOM 1347 CA LYS A 85 16.361 -17.928 10.325 1.00 0.00 C ATOM 1348 C LYS A 85 15.004 -17.293 10.611 1.00 0.00 C ATOM 1349 O LYS A 85 14.430 -17.486 11.683 1.00 0.00 O ATOM 1350 CB LYS A 85 16.327 -19.416 10.680 1.00 0.00 C ATOM 1351 CG LYS A 85 16.078 -20.321 9.483 1.00 0.00 C ATOM 1352 CD LYS A 85 15.796 -21.751 9.913 1.00 0.00 C ATOM 1353 CE LYS A 85 15.766 -22.694 8.722 1.00 0.00 C ATOM 1354 NZ LYS A 85 15.925 -24.117 9.134 1.00 0.00 N ATOM 0 H LYS A 85 17.994 -17.871 11.641 1.00 0.00 H new ATOM 0 HA LYS A 85 16.573 -17.820 9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.274 -19.692 11.143 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.547 -19.586 11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.234 -19.940 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.947 -20.303 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.560 -22.078 10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.841 -21.793 10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.823 -22.574 8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.562 -22.426 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.899 -24.727 8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.836 -24.238 9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.151 -24.381 9.777 1.00 0.00 H new ATOM 1368 N GLU A 86 14.497 -16.536 9.644 1.00 0.00 N ATOM 1369 CA GLU A 86 13.208 -15.870 9.790 1.00 0.00 C ATOM 1370 C GLU A 86 12.400 -15.961 8.499 1.00 0.00 C ATOM 1371 O GLU A 86 12.847 -15.515 7.443 1.00 0.00 O ATOM 1372 CB GLU A 86 13.408 -14.405 10.178 1.00 0.00 C ATOM 1373 CG GLU A 86 12.325 -13.867 11.099 1.00 0.00 C ATOM 1374 CD GLU A 86 12.276 -14.594 12.429 1.00 0.00 C ATOM 1375 OE1 GLU A 86 13.246 -14.476 13.207 1.00 0.00 O ATOM 1376 OE2 GLU A 86 11.267 -15.284 12.691 1.00 0.00 O ATOM 0 H GLU A 86 14.959 -16.368 8.750 1.00 0.00 H new ATOM 0 HA GLU A 86 12.654 -16.375 10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.376 -14.296 10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.438 -13.799 9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.498 -12.805 11.276 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.357 -13.955 10.605 1.00 0.00 H new ATOM 1383 N ASP A 87 11.207 -16.541 8.593 1.00 0.00 N ATOM 1384 CA ASP A 87 10.335 -16.692 7.433 1.00 0.00 C ATOM 1385 C ASP A 87 10.973 -17.601 6.387 1.00 0.00 C ATOM 1386 O ASP A 87 12.165 -17.493 6.100 1.00 0.00 O ATOM 1387 CB ASP A 87 10.024 -15.326 6.818 1.00 0.00 C ATOM 1388 CG ASP A 87 9.031 -15.419 5.677 1.00 0.00 C ATOM 1389 OD1 ASP A 87 8.074 -16.214 5.785 1.00 0.00 O ATOM 1390 OD2 ASP A 87 9.210 -14.696 4.674 1.00 0.00 O ATOM 0 H ASP A 87 10.822 -16.914 9.461 1.00 0.00 H new ATOM 0 HA ASP A 87 9.405 -17.151 7.768 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.627 -14.665 7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.948 -14.875 6.456 1.00 0.00 H new ATOM 1395 N SER A 88 10.170 -18.495 5.820 1.00 0.00 N ATOM 1396 CA SER A 88 10.655 -19.422 4.804 1.00 0.00 C ATOM 1397 C SER A 88 9.493 -20.011 4.010 1.00 0.00 C ATOM 1398 O SER A 88 9.154 -21.186 4.162 1.00 0.00 O ATOM 1399 CB SER A 88 11.468 -20.544 5.454 1.00 0.00 C ATOM 1400 OG SER A 88 12.432 -20.021 6.352 1.00 0.00 O ATOM 0 H SER A 88 9.181 -18.597 6.047 1.00 0.00 H new ATOM 0 HA SER A 88 11.298 -18.870 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.799 -21.220 5.987 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.966 -21.131 4.682 1.00 0.00 H new ATOM 0 HG SER A 88 12.673 -19.111 6.080 1.00 0.00 H new ATOM 1406 N SER A 89 8.884 -19.188 3.164 1.00 0.00 N ATOM 1407 CA SER A 89 7.760 -19.625 2.345 1.00 0.00 C ATOM 1408 C SER A 89 6.608 -20.112 3.222 1.00 0.00 C ATOM 1409 O SER A 89 6.266 -21.295 3.217 1.00 0.00 O ATOM 1410 CB SER A 89 8.198 -20.739 1.391 1.00 0.00 C ATOM 1411 OG SER A 89 7.420 -20.733 0.208 1.00 0.00 O ATOM 0 H SER A 89 9.150 -18.213 3.027 1.00 0.00 H new ATOM 0 HA SER A 89 7.414 -18.773 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.251 -20.612 1.138 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.103 -21.705 1.887 1.00 0.00 H new ATOM 0 HG SER A 89 7.721 -21.453 -0.385 1.00 0.00 H new ATOM 1417 N SER A 90 6.015 -19.190 3.974 1.00 0.00 N ATOM 1418 CA SER A 90 4.903 -19.523 4.857 1.00 0.00 C ATOM 1419 C SER A 90 3.682 -18.663 4.545 1.00 0.00 C ATOM 1420 O SER A 90 3.795 -17.451 4.363 1.00 0.00 O ATOM 1421 CB SER A 90 5.312 -19.336 6.319 1.00 0.00 C ATOM 1422 OG SER A 90 5.888 -20.520 6.842 1.00 0.00 O ATOM 0 H SER A 90 6.286 -18.207 3.989 1.00 0.00 H new ATOM 0 HA SER A 90 4.641 -20.568 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.025 -18.515 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.440 -19.059 6.912 1.00 0.00 H new ATOM 0 HG SER A 90 6.143 -20.375 7.777 1.00 0.00 H new ATOM 1428 N ALA A 91 2.518 -19.300 4.485 1.00 0.00 N ATOM 1429 CA ALA A 91 1.275 -18.595 4.196 1.00 0.00 C ATOM 1430 C ALA A 91 0.855 -17.720 5.372 1.00 0.00 C ATOM 1431 O ALA A 91 0.450 -16.572 5.193 1.00 0.00 O ATOM 1432 CB ALA A 91 0.173 -19.587 3.855 1.00 0.00 C ATOM 0 H ALA A 91 2.409 -20.303 4.633 1.00 0.00 H new ATOM 0 HA ALA A 91 1.445 -17.947 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.749 -19.047 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.464 -20.168 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.013 -20.258 4.699 1.00 0.00 H new ATOM 1438 N GLU A 92 0.954 -18.274 6.576 1.00 0.00 N ATOM 1439 CA GLU A 92 0.583 -17.546 7.784 1.00 0.00 C ATOM 1440 C GLU A 92 1.498 -16.346 8.001 1.00 0.00 C ATOM 1441 O GLU A 92 1.070 -15.310 8.510 1.00 0.00 O ATOM 1442 CB GLU A 92 0.643 -18.474 9.000 1.00 0.00 C ATOM 1443 CG GLU A 92 0.109 -17.842 10.275 1.00 0.00 C ATOM 1444 CD GLU A 92 -1.289 -17.279 10.106 1.00 0.00 C ATOM 1445 OE1 GLU A 92 -2.211 -18.064 9.797 1.00 0.00 O ATOM 1446 OE2 GLU A 92 -1.462 -16.055 10.282 1.00 0.00 O ATOM 0 H GLU A 92 1.288 -19.224 6.741 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.437 -17.183 7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.072 -19.377 8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.676 -18.781 9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.103 -18.587 11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.782 -17.045 10.590 1.00 0.00 H new ATOM 1453 N PHE A 93 2.761 -16.490 7.610 1.00 0.00 N ATOM 1454 CA PHE A 93 3.735 -15.415 7.762 1.00 0.00 C ATOM 1455 C PHE A 93 3.431 -14.268 6.802 1.00 0.00 C ATOM 1456 O PHE A 93 3.604 -13.098 7.141 1.00 0.00 O ATOM 1457 CB PHE A 93 5.152 -15.943 7.523 1.00 0.00 C ATOM 1458 CG PHE A 93 6.068 -15.744 8.698 1.00 0.00 C ATOM 1459 CD1 PHE A 93 6.614 -14.498 8.964 1.00 0.00 C ATOM 1460 CD2 PHE A 93 6.381 -16.802 9.536 1.00 0.00 C ATOM 1461 CE1 PHE A 93 7.456 -14.312 10.044 1.00 0.00 C ATOM 1462 CE2 PHE A 93 7.221 -16.621 10.618 1.00 0.00 C ATOM 1463 CZ PHE A 93 7.759 -15.375 10.873 1.00 0.00 C ATOM 0 H PHE A 93 3.133 -17.340 7.186 1.00 0.00 H new ATOM 0 HA PHE A 93 3.668 -15.036 8.782 1.00 0.00 H new ATOM 0 HB2 PHE A 93 5.101 -17.006 7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.576 -15.443 6.652 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.379 -13.663 8.320 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.964 -17.779 9.341 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.877 -13.337 10.240 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.457 -17.454 11.264 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.415 -15.232 11.719 1.00 0.00 H new ATOM 1473 N LEU A 94 2.976 -14.615 5.600 1.00 0.00 N ATOM 1474 CA LEU A 94 2.645 -13.617 4.588 1.00 0.00 C ATOM 1475 C LEU A 94 1.649 -12.594 5.131 1.00 0.00 C ATOM 1476 O LEU A 94 1.641 -11.438 4.713 1.00 0.00 O ATOM 1477 CB LEU A 94 2.069 -14.297 3.344 1.00 0.00 C ATOM 1478 CG LEU A 94 1.699 -13.350 2.201 1.00 0.00 C ATOM 1479 CD1 LEU A 94 2.138 -13.927 0.863 1.00 0.00 C ATOM 1480 CD2 LEU A 94 0.203 -13.076 2.200 1.00 0.00 C ATOM 0 H LEU A 94 2.828 -15.580 5.304 1.00 0.00 H new ATOM 0 HA LEU A 94 3.562 -13.093 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.796 -15.021 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.180 -14.857 3.634 1.00 0.00 H new ATOM 0 HG LEU A 94 2.222 -12.406 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.866 -13.239 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.218 -14.071 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.645 -14.885 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.043 -12.401 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.338 -14.013 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.084 -12.617 3.146 1.00 0.00 H new ATOM 1492 N GLU A 95 0.810 -13.031 6.066 1.00 0.00 N ATOM 1493 CA GLU A 95 -0.192 -12.157 6.669 1.00 0.00 C ATOM 1494 C GLU A 95 0.448 -10.889 7.231 1.00 0.00 C ATOM 1495 O GLU A 95 -0.188 -9.837 7.296 1.00 0.00 O ATOM 1496 CB GLU A 95 -0.944 -12.901 7.776 1.00 0.00 C ATOM 1497 CG GLU A 95 -2.440 -13.007 7.527 1.00 0.00 C ATOM 1498 CD GLU A 95 -2.831 -14.322 6.882 1.00 0.00 C ATOM 1499 OE1 GLU A 95 -2.497 -14.524 5.695 1.00 0.00 O ATOM 1500 OE2 GLU A 95 -3.470 -15.151 7.565 1.00 0.00 O ATOM 0 H GLU A 95 0.804 -13.986 6.423 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.897 -11.865 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.528 -13.904 7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.777 -12.390 8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.971 -12.898 8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.757 -12.184 6.887 1.00 0.00 H new ATOM 1507 N LYS A 96 1.705 -10.997 7.644 1.00 0.00 N ATOM 1508 CA LYS A 96 2.422 -9.860 8.208 1.00 0.00 C ATOM 1509 C LYS A 96 2.857 -8.878 7.120 1.00 0.00 C ATOM 1510 O LYS A 96 2.862 -7.666 7.336 1.00 0.00 O ATOM 1511 CB LYS A 96 3.646 -10.344 8.990 1.00 0.00 C ATOM 1512 CG LYS A 96 4.158 -9.332 10.003 1.00 0.00 C ATOM 1513 CD LYS A 96 5.625 -9.002 9.770 1.00 0.00 C ATOM 1514 CE LYS A 96 5.918 -7.539 10.062 1.00 0.00 C ATOM 1515 NZ LYS A 96 5.414 -6.645 8.984 1.00 0.00 N ATOM 0 H LYS A 96 2.248 -11.859 7.599 1.00 0.00 H new ATOM 0 HA LYS A 96 1.742 -9.339 8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.394 -11.269 9.508 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.446 -10.580 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.564 -8.420 9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.029 -9.727 11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.247 -9.633 10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.891 -9.229 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.458 -7.259 11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.993 -7.400 10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.143 -5.727 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.161 -6.502 8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.585 -7.080 8.531 1.00 0.00 H new ATOM 1529 N ARG A 97 3.231 -9.404 5.956 1.00 0.00 N ATOM 1530 CA ARG A 97 3.677 -8.563 4.849 1.00 0.00 C ATOM 1531 C ARG A 97 2.526 -7.742 4.265 1.00 0.00 C ATOM 1532 O ARG A 97 2.710 -6.587 3.881 1.00 0.00 O ATOM 1533 CB ARG A 97 4.341 -9.418 3.757 1.00 0.00 C ATOM 1534 CG ARG A 97 3.376 -9.991 2.727 1.00 0.00 C ATOM 1535 CD ARG A 97 3.259 -9.085 1.511 1.00 0.00 C ATOM 1536 NE ARG A 97 4.549 -8.876 0.857 1.00 0.00 N ATOM 1537 CZ ARG A 97 5.115 -9.755 0.034 1.00 0.00 C ATOM 1538 NH1 ARG A 97 4.511 -10.907 -0.234 1.00 0.00 N ATOM 1539 NH2 ARG A 97 6.287 -9.484 -0.521 1.00 0.00 N ATOM 0 H ARG A 97 3.234 -10.404 5.756 1.00 0.00 H new ATOM 0 HA ARG A 97 4.414 -7.862 5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.085 -8.811 3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 97 4.875 -10.241 4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.718 -10.978 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.394 -10.122 3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.559 -9.522 0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.846 -8.123 1.814 1.00 0.00 H new ATOM 0 HE ARG A 97 5.045 -8.004 1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.609 -11.121 0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.949 -11.578 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.756 -8.601 -0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.721 -10.158 -1.152 1.00 0.00 H new ATOM 1553 N ARG A 98 1.340 -8.342 4.197 1.00 0.00 N ATOM 1554 CA ARG A 98 0.171 -7.657 3.653 1.00 0.00 C ATOM 1555 C ARG A 98 -0.329 -6.584 4.615 1.00 0.00 C ATOM 1556 O ARG A 98 -0.647 -5.468 4.202 1.00 0.00 O ATOM 1557 CB ARG A 98 -0.949 -8.657 3.348 1.00 0.00 C ATOM 1558 CG ARG A 98 -1.311 -9.552 4.522 1.00 0.00 C ATOM 1559 CD ARG A 98 -2.545 -9.050 5.253 1.00 0.00 C ATOM 1560 NE ARG A 98 -2.674 -9.650 6.580 1.00 0.00 N ATOM 1561 CZ ARG A 98 -3.817 -9.712 7.260 1.00 0.00 C ATOM 1562 NH1 ARG A 98 -4.933 -9.208 6.748 1.00 0.00 N ATOM 1563 NH2 ARG A 98 -3.843 -10.279 8.458 1.00 0.00 N ATOM 0 H ARG A 98 1.164 -9.297 4.510 1.00 0.00 H new ATOM 0 HA ARG A 98 0.470 -7.173 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.837 -8.108 3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.646 -9.281 2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.487 -10.567 4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.472 -9.599 5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.494 -7.965 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.434 -9.277 4.664 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.838 -10.045 7.011 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.919 -8.769 5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -5.805 -9.259 7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.988 -10.667 8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.718 -10.327 8.980 1.00 0.00 H new ATOM 1577 N ALA A 99 -0.393 -6.925 5.899 1.00 0.00 N ATOM 1578 CA ALA A 99 -0.850 -5.986 6.919 1.00 0.00 C ATOM 1579 C ALA A 99 -0.103 -4.658 6.814 1.00 0.00 C ATOM 1580 O ALA A 99 -0.714 -3.600 6.665 1.00 0.00 O ATOM 1581 CB ALA A 99 -0.672 -6.586 8.305 1.00 0.00 C ATOM 0 H ALA A 99 -0.134 -7.844 6.258 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.910 -5.792 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.017 -5.875 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.253 -7.505 8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.382 -6.808 8.473 1.00 0.00 H new ATOM 1587 N ALA A 100 1.223 -4.726 6.879 1.00 0.00 N ATOM 1588 CA ALA A 100 2.060 -3.534 6.776 1.00 0.00 C ATOM 1589 C ALA A 100 1.759 -2.765 5.499 1.00 0.00 C ATOM 1590 O ALA A 100 1.903 -1.544 5.449 1.00 0.00 O ATOM 1591 CB ALA A 100 3.533 -3.900 6.824 1.00 0.00 C ATOM 0 H ALA A 100 1.742 -5.595 7.003 1.00 0.00 H new ATOM 0 HA ALA A 100 1.830 -2.896 7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.136 -2.995 6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.753 -4.402 7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.770 -4.566 5.995 1.00 0.00 H new ATOM 1597 N LEU A 101 1.355 -3.490 4.461 1.00 0.00 N ATOM 1598 CA LEU A 101 1.051 -2.875 3.179 1.00 0.00 C ATOM 1599 C LEU A 101 -0.059 -1.841 3.342 1.00 0.00 C ATOM 1600 O LEU A 101 -0.087 -0.833 2.636 1.00 0.00 O ATOM 1601 CB LEU A 101 0.638 -3.951 2.165 1.00 0.00 C ATOM 1602 CG LEU A 101 0.861 -3.618 0.679 1.00 0.00 C ATOM 1603 CD1 LEU A 101 -0.430 -3.119 0.046 1.00 0.00 C ATOM 1604 CD2 LEU A 101 1.978 -2.597 0.493 1.00 0.00 C ATOM 0 H LEU A 101 1.231 -4.502 4.485 1.00 0.00 H new ATOM 0 HA LEU A 101 1.943 -2.370 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.186 -4.865 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.420 -4.168 2.311 1.00 0.00 H new ATOM 0 HG LEU A 101 1.167 -4.536 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.255 -2.888 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.196 -3.891 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.765 -2.220 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.106 -2.387 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.720 -1.676 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.907 -2.997 0.899 1.00 0.00 H new ATOM 1616 N GLU A 102 -0.951 -2.076 4.300 1.00 0.00 N ATOM 1617 CA GLU A 102 -2.029 -1.134 4.568 1.00 0.00 C ATOM 1618 C GLU A 102 -1.471 0.106 5.249 1.00 0.00 C ATOM 1619 O GLU A 102 -1.847 1.231 4.919 1.00 0.00 O ATOM 1620 CB GLU A 102 -3.113 -1.758 5.442 1.00 0.00 C ATOM 1621 CG GLU A 102 -4.289 -0.826 5.683 1.00 0.00 C ATOM 1622 CD GLU A 102 -4.716 -0.788 7.138 1.00 0.00 C ATOM 1623 OE1 GLU A 102 -5.066 -1.856 7.681 1.00 0.00 O ATOM 1624 OE2 GLU A 102 -4.700 0.311 7.733 1.00 0.00 O ATOM 0 H GLU A 102 -0.948 -2.903 4.898 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.481 -0.860 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.472 -2.672 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.680 -2.043 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.022 0.180 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.132 -1.144 5.069 1.00 0.00 H new ATOM 1631 N ARG A 103 -0.556 -0.108 6.193 1.00 0.00 N ATOM 1632 CA ARG A 103 0.068 0.995 6.910 1.00 0.00 C ATOM 1633 C ARG A 103 0.743 1.925 5.915 1.00 0.00 C ATOM 1634 O ARG A 103 0.567 3.142 5.962 1.00 0.00 O ATOM 1635 CB ARG A 103 1.094 0.471 7.918 1.00 0.00 C ATOM 1636 CG ARG A 103 0.504 -0.464 8.960 1.00 0.00 C ATOM 1637 CD ARG A 103 1.281 -0.410 10.267 1.00 0.00 C ATOM 1638 NE ARG A 103 0.430 -0.037 11.395 1.00 0.00 N ATOM 1639 CZ ARG A 103 0.145 1.220 11.730 1.00 0.00 C ATOM 1640 NH1 ARG A 103 0.644 2.232 11.030 1.00 0.00 N ATOM 1641 NH2 ARG A 103 -0.639 1.467 12.770 1.00 0.00 N ATOM 0 H ARG A 103 -0.233 -1.033 6.476 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.700 1.542 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.885 -0.052 7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.558 1.318 8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.536 -0.195 9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.506 -1.484 8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 103 1.733 -1.383 10.460 1.00 0.00 H new ATOM 0 HD3 ARG A 103 2.096 0.308 10.175 1.00 0.00 H new ATOM 0 HE ARG A 103 0.030 -0.786 11.961 1.00 0.00 H new ATOM 0 HH11 ARG A 103 1.250 2.049 10.230 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.421 3.192 11.292 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.024 0.694 13.313 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.857 2.430 13.027 1.00 0.00 H new ATOM 1655 N TYR A 104 1.495 1.333 4.993 1.00 0.00 N ATOM 1656 CA TYR A 104 2.173 2.101 3.962 1.00 0.00 C ATOM 1657 C TYR A 104 1.145 2.791 3.068 1.00 0.00 C ATOM 1658 O TYR A 104 1.347 3.923 2.628 1.00 0.00 O ATOM 1659 CB TYR A 104 3.080 1.188 3.132 1.00 0.00 C ATOM 1660 CG TYR A 104 3.547 1.806 1.833 1.00 0.00 C ATOM 1661 CD1 TYR A 104 2.778 1.707 0.681 1.00 0.00 C ATOM 1662 CD2 TYR A 104 4.751 2.495 1.762 1.00 0.00 C ATOM 1663 CE1 TYR A 104 3.195 2.274 -0.506 1.00 0.00 C ATOM 1664 CE2 TYR A 104 5.176 3.065 0.577 1.00 0.00 C ATOM 1665 CZ TYR A 104 4.394 2.952 -0.553 1.00 0.00 C ATOM 1666 OH TYR A 104 4.812 3.519 -1.734 1.00 0.00 O ATOM 0 H TYR A 104 1.648 0.326 4.941 1.00 0.00 H new ATOM 0 HA TYR A 104 2.793 2.863 4.435 1.00 0.00 H new ATOM 0 HB2 TYR A 104 3.951 0.918 3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.546 0.264 2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 104 1.837 1.177 0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 104 5.364 2.587 2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.585 2.187 -1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.116 3.596 0.536 1.00 0.00 H new ATOM 0 HH TYR A 104 4.032 3.737 -2.286 1.00 0.00 H new ATOM 1676 N LEU A 105 0.034 2.101 2.811 1.00 0.00 N ATOM 1677 CA LEU A 105 -1.035 2.646 1.980 1.00 0.00 C ATOM 1678 C LEU A 105 -1.719 3.806 2.684 1.00 0.00 C ATOM 1679 O LEU A 105 -2.034 4.826 2.074 1.00 0.00 O ATOM 1680 CB LEU A 105 -2.066 1.558 1.666 1.00 0.00 C ATOM 1681 CG LEU A 105 -3.000 1.814 0.470 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -4.437 1.982 0.953 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -2.561 3.024 -0.353 1.00 0.00 C ATOM 0 H LEU A 105 -0.148 1.163 3.168 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.596 3.006 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.532 0.625 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.682 1.407 2.552 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.943 0.945 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.089 2.163 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.756 1.076 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.494 2.828 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.249 3.166 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.565 3.913 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.555 2.857 -0.738 1.00 0.00 H new ATOM 1695 N GLN A 106 -1.953 3.650 3.977 1.00 0.00 N ATOM 1696 CA GLN A 106 -2.606 4.689 4.754 1.00 0.00 C ATOM 1697 C GLN A 106 -1.871 6.022 4.616 1.00 0.00 C ATOM 1698 O GLN A 106 -2.458 7.082 4.818 1.00 0.00 O ATOM 1699 CB GLN A 106 -2.684 4.287 6.225 1.00 0.00 C ATOM 1700 CG GLN A 106 -3.966 3.554 6.588 1.00 0.00 C ATOM 1701 CD GLN A 106 -4.659 4.154 7.796 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -4.727 5.374 7.945 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -5.177 3.296 8.667 1.00 0.00 N ATOM 0 H GLN A 106 -1.701 2.817 4.508 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.617 4.811 4.365 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -1.831 3.652 6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.599 5.181 6.843 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.646 3.575 5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.737 2.507 6.788 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.097 2.292 8.503 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.655 3.641 9.500 1.00 0.00 H new ATOM 1712 N ARG A 107 -0.583 5.963 4.279 1.00 0.00 N ATOM 1713 CA ARG A 107 0.219 7.174 4.128 1.00 0.00 C ATOM 1714 C ARG A 107 -0.171 7.961 2.878 1.00 0.00 C ATOM 1715 O ARG A 107 -0.405 9.166 2.950 1.00 0.00 O ATOM 1716 CB ARG A 107 1.706 6.831 4.078 1.00 0.00 C ATOM 1717 CG ARG A 107 2.128 5.787 5.097 1.00 0.00 C ATOM 1718 CD ARG A 107 3.634 5.790 5.310 1.00 0.00 C ATOM 1719 NE ARG A 107 4.168 4.438 5.457 1.00 0.00 N ATOM 1720 CZ ARG A 107 4.119 3.741 6.591 1.00 0.00 C ATOM 1721 NH1 ARG A 107 3.568 4.265 7.678 1.00 0.00 N ATOM 1722 NH2 ARG A 107 4.623 2.515 6.635 1.00 0.00 N ATOM 0 H ARG A 107 -0.076 5.095 4.107 1.00 0.00 H new ATOM 0 HA ARG A 107 0.022 7.801 4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.953 6.471 3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.285 7.740 4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.625 5.979 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.809 4.800 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.119 6.282 4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.873 6.373 6.199 1.00 0.00 H new ATOM 0 HE ARG A 107 4.604 4.003 4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.178 5.207 7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 107 3.534 3.726 8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 107 5.047 2.108 5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 107 4.587 1.979 7.502 1.00 0.00 H new ATOM 1736 N ILE A 108 -0.247 7.285 1.731 1.00 0.00 N ATOM 1737 CA ILE A 108 -0.620 7.967 0.493 1.00 0.00 C ATOM 1738 C ILE A 108 -2.077 8.399 0.551 1.00 0.00 C ATOM 1739 O ILE A 108 -2.419 9.523 0.184 1.00 0.00 O ATOM 1740 CB ILE A 108 -0.387 7.112 -0.779 1.00 0.00 C ATOM 1741 CG1 ILE A 108 -0.617 5.621 -0.503 1.00 0.00 C ATOM 1742 CG2 ILE A 108 1.009 7.361 -1.333 1.00 0.00 C ATOM 1743 CD1 ILE A 108 0.656 4.820 -0.311 1.00 0.00 C ATOM 0 H ILE A 108 -0.060 6.287 1.634 1.00 0.00 H new ATOM 0 HA ILE A 108 0.034 8.836 0.417 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.115 7.416 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.235 5.519 0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.181 5.193 -1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.160 6.754 -2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.117 8.415 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.752 7.092 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.404 3.777 -0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.267 4.887 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.213 5.219 0.537 1.00 0.00 H new ATOM 1755 N VAL A 109 -2.934 7.509 1.034 1.00 0.00 N ATOM 1756 CA VAL A 109 -4.349 7.816 1.156 1.00 0.00 C ATOM 1757 C VAL A 109 -4.565 8.928 2.180 1.00 0.00 C ATOM 1758 O VAL A 109 -5.464 9.757 2.031 1.00 0.00 O ATOM 1759 CB VAL A 109 -5.164 6.570 1.557 1.00 0.00 C ATOM 1760 CG1 VAL A 109 -4.813 5.392 0.660 1.00 0.00 C ATOM 1761 CG2 VAL A 109 -4.934 6.213 3.016 1.00 0.00 C ATOM 0 H VAL A 109 -2.674 6.573 1.346 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.699 8.152 0.180 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.221 6.803 1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.398 4.521 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.039 5.644 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.751 5.166 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.521 5.331 3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.876 6.004 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.240 7.047 3.647 1.00 0.00 H new ATOM 1771 N ASN A 110 -3.728 8.940 3.218 1.00 0.00 N ATOM 1772 CA ASN A 110 -3.817 9.951 4.269 1.00 0.00 C ATOM 1773 C ASN A 110 -3.929 11.360 3.679 1.00 0.00 C ATOM 1774 O ASN A 110 -4.890 12.079 3.951 1.00 0.00 O ATOM 1775 CB ASN A 110 -2.593 9.864 5.195 1.00 0.00 C ATOM 1776 CG ASN A 110 -2.481 11.047 6.140 1.00 0.00 C ATOM 1777 OD1 ASN A 110 -3.612 11.470 6.693 1.00 0.00 O flip ATOM 1778 ND2 ASN A 110 -1.393 11.573 6.369 1.00 0.00 N flip ATOM 0 H ASN A 110 -2.980 8.259 3.352 1.00 0.00 H new ATOM 0 HA ASN A 110 -4.720 9.754 4.847 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.649 8.944 5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.689 9.803 4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.549 11.215 5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.335 12.367 7.006 1.00 0.00 H new ATOM 1785 N HIS A 111 -2.940 11.750 2.881 1.00 0.00 N ATOM 1786 CA HIS A 111 -2.931 13.076 2.268 1.00 0.00 C ATOM 1787 C HIS A 111 -3.350 13.018 0.798 1.00 0.00 C ATOM 1788 O HIS A 111 -2.758 12.285 0.007 1.00 0.00 O ATOM 1789 CB HIS A 111 -1.541 13.702 2.387 1.00 0.00 C ATOM 1790 CG HIS A 111 -1.293 14.360 3.708 1.00 0.00 C ATOM 1791 ND1 HIS A 111 -1.920 14.218 4.900 1.00 0.00 N flip ATOM 1792 CD2 HIS A 111 -0.297 15.291 3.910 1.00 0.00 C flip ATOM 1793 CE1 HIS A 111 -1.296 15.057 5.790 1.00 0.00 C flip ATOM 1794 NE2 HIS A 111 -0.320 15.693 5.169 1.00 0.00 N flip ATOM 0 H HIS A 111 -2.136 11.169 2.643 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.654 13.693 2.801 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.789 12.929 2.228 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.414 14.439 1.594 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -2.709 13.603 5.099 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.395 15.638 3.157 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.561 15.177 6.830 1.00 0.00 H new ATOM 1803 N PRO A 112 -4.380 13.793 0.407 1.00 0.00 N ATOM 1804 CA PRO A 112 -4.867 13.823 -0.977 1.00 0.00 C ATOM 1805 C PRO A 112 -3.904 14.531 -1.931 1.00 0.00 C ATOM 1806 O PRO A 112 -3.753 14.133 -3.084 1.00 0.00 O ATOM 1807 CB PRO A 112 -6.177 14.605 -0.872 1.00 0.00 C ATOM 1808 CG PRO A 112 -5.995 15.483 0.316 1.00 0.00 C ATOM 1809 CD PRO A 112 -5.150 14.701 1.281 1.00 0.00 C ATOM 0 HA PRO A 112 -4.978 12.819 -1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.363 15.190 -1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.029 13.937 -0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.508 16.418 0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.956 15.743 0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.495 15.352 1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -5.762 14.149 1.994 1.00 0.00 H new ATOM 1817 N THR A 113 -3.269 15.593 -1.447 1.00 0.00 N ATOM 1818 CA THR A 113 -2.335 16.366 -2.264 1.00 0.00 C ATOM 1819 C THR A 113 -0.967 15.690 -2.360 1.00 0.00 C ATOM 1820 O THR A 113 -0.222 15.919 -3.312 1.00 0.00 O ATOM 1821 CB THR A 113 -2.176 17.775 -1.692 1.00 0.00 C ATOM 1822 OG1 THR A 113 -2.330 17.765 -0.284 1.00 0.00 O ATOM 1823 CG2 THR A 113 -3.170 18.765 -2.256 1.00 0.00 C ATOM 0 H THR A 113 -3.382 15.939 -0.494 1.00 0.00 H new ATOM 0 HA THR A 113 -2.751 16.423 -3.270 1.00 0.00 H new ATOM 0 HB THR A 113 -1.172 18.091 -1.977 1.00 0.00 H new ATOM 0 HG1 THR A 113 -2.223 18.675 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.002 19.744 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.042 18.833 -3.336 1.00 0.00 H new ATOM 0 HG23 THR A 113 -4.183 18.432 -2.031 1.00 0.00 H new ATOM 1831 N MET A 114 -0.635 14.875 -1.365 1.00 0.00 N ATOM 1832 CA MET A 114 0.654 14.190 -1.340 1.00 0.00 C ATOM 1833 C MET A 114 0.865 13.337 -2.593 1.00 0.00 C ATOM 1834 O MET A 114 1.914 13.414 -3.233 1.00 0.00 O ATOM 1835 CB MET A 114 0.779 13.337 -0.071 1.00 0.00 C ATOM 1836 CG MET A 114 0.162 11.956 -0.173 1.00 0.00 C ATOM 1837 SD MET A 114 1.263 10.764 -0.958 1.00 0.00 S ATOM 1838 CE MET A 114 2.091 10.115 0.478 1.00 0.00 C ATOM 0 H MET A 114 -1.237 14.672 -0.567 1.00 0.00 H new ATOM 0 HA MET A 114 1.436 14.949 -1.330 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.835 13.231 0.177 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.310 13.870 0.756 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.098 11.603 0.825 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.766 12.017 -0.741 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.472 9.117 0.259 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.921 10.769 0.746 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.388 10.061 1.310 1.00 0.00 H new ATOM 1848 N LEU A 115 -0.127 12.511 -2.924 1.00 0.00 N ATOM 1849 CA LEU A 115 -0.043 11.625 -4.088 1.00 0.00 C ATOM 1850 C LEU A 115 0.539 12.351 -5.298 1.00 0.00 C ATOM 1851 O LEU A 115 1.497 11.878 -5.909 1.00 0.00 O ATOM 1852 CB LEU A 115 -1.433 11.087 -4.467 1.00 0.00 C ATOM 1853 CG LEU A 115 -2.277 10.475 -3.338 1.00 0.00 C ATOM 1854 CD1 LEU A 115 -1.406 9.849 -2.266 1.00 0.00 C ATOM 1855 CD2 LEU A 115 -3.203 11.518 -2.731 1.00 0.00 C ATOM 0 H LEU A 115 -1.000 12.436 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 115 0.612 10.799 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.003 11.903 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.304 10.331 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.884 9.683 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.038 9.427 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.797 9.059 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.756 10.610 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.791 11.063 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.611 12.337 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.872 11.903 -3.501 1.00 0.00 H new ATOM 1867 N GLN A 116 -0.041 13.499 -5.637 1.00 0.00 N ATOM 1868 CA GLN A 116 0.425 14.284 -6.776 1.00 0.00 C ATOM 1869 C GLN A 116 0.227 13.519 -8.081 1.00 0.00 C ATOM 1870 O GLN A 116 -0.626 13.871 -8.896 1.00 0.00 O ATOM 1871 CB GLN A 116 1.902 14.652 -6.603 1.00 0.00 C ATOM 1872 CG GLN A 116 2.121 16.088 -6.156 1.00 0.00 C ATOM 1873 CD GLN A 116 1.447 17.093 -7.071 1.00 0.00 C ATOM 1874 OE1 GLN A 116 2.006 17.492 -8.092 1.00 0.00 O ATOM 1875 NE2 GLN A 116 0.240 17.509 -6.705 1.00 0.00 N ATOM 0 H GLN A 116 -0.833 13.906 -5.140 1.00 0.00 H new ATOM 0 HA GLN A 116 -0.165 15.199 -6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.352 13.980 -5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.421 14.491 -7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 116 1.739 16.211 -5.143 1.00 0.00 H new ATOM 0 HG3 GLN A 116 3.191 16.295 -6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.185 17.151 -5.850 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.262 18.187 -7.279 1.00 0.00 H new ATOM 1884 N ASP A 117 1.018 12.467 -8.273 1.00 0.00 N ATOM 1885 CA ASP A 117 0.929 11.648 -9.477 1.00 0.00 C ATOM 1886 C ASP A 117 -0.480 11.082 -9.642 1.00 0.00 C ATOM 1887 O ASP A 117 -1.128 10.719 -8.661 1.00 0.00 O ATOM 1888 CB ASP A 117 1.948 10.509 -9.420 1.00 0.00 C ATOM 1889 CG ASP A 117 3.379 11.011 -9.447 1.00 0.00 C ATOM 1890 OD1 ASP A 117 3.713 11.802 -10.353 1.00 0.00 O ATOM 1891 OD2 ASP A 117 4.165 10.612 -8.562 1.00 0.00 O ATOM 0 H ASP A 117 1.729 12.162 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 117 1.152 12.279 -10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.787 9.927 -8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.786 9.837 -10.263 1.00 0.00 H new ATOM 1896 N PRO A 118 -0.981 11.005 -10.889 1.00 0.00 N ATOM 1897 CA PRO A 118 -2.324 10.489 -11.170 1.00 0.00 C ATOM 1898 C PRO A 118 -2.464 8.999 -10.868 1.00 0.00 C ATOM 1899 O PRO A 118 -3.575 8.502 -10.683 1.00 0.00 O ATOM 1900 CB PRO A 118 -2.513 10.741 -12.674 1.00 0.00 C ATOM 1901 CG PRO A 118 -1.427 11.688 -13.060 1.00 0.00 C ATOM 1902 CD PRO A 118 -0.290 11.423 -12.118 1.00 0.00 C ATOM 0 HA PRO A 118 -3.070 10.978 -10.543 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -2.442 9.812 -13.239 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.495 11.166 -12.880 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -1.121 11.530 -14.094 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.765 12.721 -12.982 1.00 0.00 H new ATOM 0 HD2 PRO A 118 0.375 10.645 -12.494 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.319 12.313 -11.958 1.00 0.00 H new ATOM 1910 N ASP A 119 -1.343 8.284 -10.828 1.00 0.00 N ATOM 1911 CA ASP A 119 -1.372 6.850 -10.560 1.00 0.00 C ATOM 1912 C ASP A 119 -1.623 6.562 -9.091 1.00 0.00 C ATOM 1913 O ASP A 119 -2.519 5.795 -8.749 1.00 0.00 O ATOM 1914 CB ASP A 119 -0.058 6.201 -10.969 1.00 0.00 C ATOM 1915 CG ASP A 119 0.008 5.904 -12.453 1.00 0.00 C ATOM 1916 OD1 ASP A 119 -1.061 5.868 -13.099 1.00 0.00 O ATOM 1917 OD2 ASP A 119 1.127 5.708 -12.972 1.00 0.00 O ATOM 0 H ASP A 119 -0.411 8.670 -10.976 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.190 6.432 -11.147 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.768 6.858 -10.697 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.075 5.274 -10.411 1.00 0.00 H new ATOM 1922 N VAL A 120 -0.830 7.180 -8.224 1.00 0.00 N ATOM 1923 CA VAL A 120 -0.983 6.975 -6.791 1.00 0.00 C ATOM 1924 C VAL A 120 -2.369 7.398 -6.353 1.00 0.00 C ATOM 1925 O VAL A 120 -3.002 6.747 -5.521 1.00 0.00 O ATOM 1926 CB VAL A 120 0.059 7.752 -5.974 1.00 0.00 C ATOM 1927 CG1 VAL A 120 0.098 7.219 -4.551 1.00 0.00 C ATOM 1928 CG2 VAL A 120 1.430 7.667 -6.630 1.00 0.00 C ATOM 0 H VAL A 120 -0.081 7.821 -8.486 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.832 5.912 -6.604 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.226 8.804 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.839 7.773 -3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.883 7.338 -4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.366 6.163 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.153 8.224 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.739 6.624 -6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.381 8.092 -7.632 1.00 0.00 H new ATOM 1938 N ARG A 121 -2.844 8.485 -6.942 1.00 0.00 N ATOM 1939 CA ARG A 121 -4.167 8.997 -6.646 1.00 0.00 C ATOM 1940 C ARG A 121 -5.214 7.929 -6.936 1.00 0.00 C ATOM 1941 O ARG A 121 -6.268 7.891 -6.303 1.00 0.00 O ATOM 1942 CB ARG A 121 -4.452 10.254 -7.469 1.00 0.00 C ATOM 1943 CG ARG A 121 -5.837 10.836 -7.236 1.00 0.00 C ATOM 1944 CD ARG A 121 -6.857 10.257 -8.205 1.00 0.00 C ATOM 1945 NE ARG A 121 -7.755 11.281 -8.732 1.00 0.00 N ATOM 1946 CZ ARG A 121 -8.782 11.789 -8.054 1.00 0.00 C ATOM 1947 NH1 ARG A 121 -9.044 11.372 -6.821 1.00 0.00 N ATOM 1948 NH2 ARG A 121 -9.549 12.718 -8.610 1.00 0.00 N ATOM 0 H ARG A 121 -2.327 9.030 -7.632 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.212 9.260 -5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.705 11.011 -7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.340 10.018 -8.527 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.150 10.633 -6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.801 11.920 -7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -6.337 9.771 -9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -7.441 9.488 -7.700 1.00 0.00 H new ATOM 0 HE ARG A 121 -7.585 11.628 -9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -8.457 10.659 -6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -9.832 11.765 -6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -9.352 13.043 -9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -10.336 13.107 -8.091 1.00 0.00 H new ATOM 1962 N GLU A 122 -4.917 7.063 -7.907 1.00 0.00 N ATOM 1963 CA GLU A 122 -5.844 6.001 -8.279 1.00 0.00 C ATOM 1964 C GLU A 122 -5.291 4.617 -7.948 1.00 0.00 C ATOM 1965 O GLU A 122 -5.922 3.609 -8.261 1.00 0.00 O ATOM 1966 CB GLU A 122 -6.167 6.083 -9.772 1.00 0.00 C ATOM 1967 CG GLU A 122 -6.465 7.493 -10.254 1.00 0.00 C ATOM 1968 CD GLU A 122 -6.589 7.578 -11.762 1.00 0.00 C ATOM 1969 OE1 GLU A 122 -7.129 6.630 -12.368 1.00 0.00 O ATOM 1970 OE2 GLU A 122 -6.143 8.593 -12.337 1.00 0.00 O ATOM 0 H GLU A 122 -4.050 7.078 -8.443 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.754 6.145 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -5.326 5.684 -10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -7.026 5.446 -9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.391 7.842 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -5.673 8.163 -9.920 1.00 0.00 H new ATOM 1977 N PHE A 123 -4.119 4.557 -7.319 1.00 0.00 N ATOM 1978 CA PHE A 123 -3.522 3.273 -6.970 1.00 0.00 C ATOM 1979 C PHE A 123 -4.111 2.731 -5.674 1.00 0.00 C ATOM 1980 O PHE A 123 -4.437 1.549 -5.573 1.00 0.00 O ATOM 1981 CB PHE A 123 -2.006 3.411 -6.844 1.00 0.00 C ATOM 1982 CG PHE A 123 -1.252 2.536 -7.799 1.00 0.00 C ATOM 1983 CD1 PHE A 123 -1.453 1.167 -7.805 1.00 0.00 C ATOM 1984 CD2 PHE A 123 -0.346 3.083 -8.693 1.00 0.00 C ATOM 1985 CE1 PHE A 123 -0.765 0.356 -8.687 1.00 0.00 C ATOM 1986 CE2 PHE A 123 0.347 2.278 -9.576 1.00 0.00 C ATOM 1987 CZ PHE A 123 0.137 0.912 -9.574 1.00 0.00 C ATOM 0 H PHE A 123 -3.571 5.372 -7.044 1.00 0.00 H new ATOM 0 HA PHE A 123 -3.748 2.566 -7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -1.727 4.451 -7.016 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -1.709 3.166 -5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -2.156 0.727 -7.112 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -0.180 4.150 -8.700 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -0.932 -0.711 -8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 123 1.052 2.716 -10.267 1.00 0.00 H new ATOM 0 HZ PHE A 123 0.677 0.280 -10.264 1.00 0.00 H new ATOM 1997 N LEU A 124 -4.243 3.607 -4.687 1.00 0.00 N ATOM 1998 CA LEU A 124 -4.791 3.226 -3.389 1.00 0.00 C ATOM 1999 C LEU A 124 -6.133 2.508 -3.536 1.00 0.00 C ATOM 2000 O LEU A 124 -6.538 1.755 -2.651 1.00 0.00 O ATOM 2001 CB LEU A 124 -4.951 4.460 -2.496 1.00 0.00 C ATOM 2002 CG LEU A 124 -6.017 5.460 -2.948 1.00 0.00 C ATOM 2003 CD1 LEU A 124 -6.456 6.330 -1.782 1.00 0.00 C ATOM 2004 CD2 LEU A 124 -5.492 6.321 -4.086 1.00 0.00 C ATOM 0 H LEU A 124 -3.978 4.589 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 124 -4.089 2.535 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.192 4.128 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.992 4.976 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.882 4.903 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.215 7.036 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.871 5.701 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -5.598 6.878 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.264 7.026 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.612 6.870 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.224 5.685 -4.930 1.00 0.00 H new ATOM 2016 N GLU A 125 -6.821 2.743 -4.652 1.00 0.00 N ATOM 2017 CA GLU A 125 -8.113 2.107 -4.890 1.00 0.00 C ATOM 2018 C GLU A 125 -8.561 2.268 -6.341 1.00 0.00 C ATOM 2019 O GLU A 125 -9.583 2.898 -6.620 1.00 0.00 O ATOM 2020 CB GLU A 125 -9.168 2.690 -3.949 1.00 0.00 C ATOM 2021 CG GLU A 125 -10.258 1.702 -3.569 1.00 0.00 C ATOM 2022 CD GLU A 125 -11.536 1.909 -4.358 1.00 0.00 C ATOM 2023 OE1 GLU A 125 -11.513 1.708 -5.590 1.00 0.00 O ATOM 2024 OE2 GLU A 125 -12.560 2.274 -3.742 1.00 0.00 O ATOM 0 H GLU A 125 -6.508 3.363 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.000 1.041 -4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.678 3.044 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.626 3.558 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.896 0.687 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.474 1.797 -2.505 1.00 0.00 H new ATOM 2031 N LYS A 126 -7.800 1.686 -7.263 1.00 0.00 N ATOM 2032 CA LYS A 126 -8.129 1.757 -8.683 1.00 0.00 C ATOM 2033 C LYS A 126 -9.261 0.791 -9.023 1.00 0.00 C ATOM 2034 O LYS A 126 -9.551 -0.131 -8.261 1.00 0.00 O ATOM 2035 CB LYS A 126 -6.900 1.431 -9.537 1.00 0.00 C ATOM 2036 CG LYS A 126 -6.744 2.333 -10.750 1.00 0.00 C ATOM 2037 CD LYS A 126 -5.895 1.674 -11.827 1.00 0.00 C ATOM 2038 CE LYS A 126 -6.685 0.628 -12.598 1.00 0.00 C ATOM 2039 NZ LYS A 126 -6.048 -0.716 -12.520 1.00 0.00 N ATOM 0 H LYS A 126 -6.952 1.160 -7.053 1.00 0.00 H new ATOM 0 HA LYS A 126 -8.455 2.774 -8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -6.006 1.511 -8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.965 0.395 -9.871 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -7.727 2.573 -11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -6.285 3.275 -10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.526 2.434 -12.516 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -5.022 1.208 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -7.699 0.573 -12.201 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -6.767 0.931 -13.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -6.616 -1.401 -13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -5.090 -0.670 -12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -5.993 -1.017 -11.526 1.00 0.00 H new ATOM 2053 N GLU A 127 -9.896 1.004 -10.170 1.00 0.00 N ATOM 2054 CA GLU A 127 -10.992 0.147 -10.607 1.00 0.00 C ATOM 2055 C GLU A 127 -11.161 0.208 -12.124 1.00 0.00 C ATOM 2056 O GLU A 127 -10.748 -0.703 -12.840 1.00 0.00 O ATOM 2057 CB GLU A 127 -12.296 0.555 -9.917 1.00 0.00 C ATOM 2058 CG GLU A 127 -12.645 -0.312 -8.717 1.00 0.00 C ATOM 2059 CD GLU A 127 -13.094 -1.705 -9.116 1.00 0.00 C ATOM 2060 OE1 GLU A 127 -12.431 -2.318 -9.980 1.00 0.00 O ATOM 2061 OE2 GLU A 127 -14.106 -2.184 -8.562 1.00 0.00 O ATOM 0 H GLU A 127 -9.671 1.762 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.750 -0.879 -10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -12.218 1.593 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -13.111 0.506 -10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -11.776 -0.387 -8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -13.436 0.170 -8.142 1.00 0.00 H new ATOM 2068 N GLU A 128 -11.771 1.286 -12.603 1.00 0.00 N ATOM 2069 CA GLU A 128 -11.995 1.465 -14.033 1.00 0.00 C ATOM 2070 C GLU A 128 -10.739 1.991 -14.720 1.00 0.00 C ATOM 2071 O GLU A 128 -10.485 3.211 -14.633 1.00 0.00 O ATOM 2072 CB GLU A 128 -13.161 2.426 -14.271 1.00 0.00 C ATOM 2073 CG GLU A 128 -13.714 2.375 -15.686 1.00 0.00 C ATOM 2074 CD GLU A 128 -14.209 3.725 -16.167 1.00 0.00 C ATOM 2075 OE1 GLU A 128 -14.899 4.416 -15.390 1.00 0.00 O ATOM 2076 OE2 GLU A 128 -13.906 4.090 -17.323 1.00 0.00 O ATOM 2077 OXT GLU A 128 -10.019 1.180 -15.338 1.00 0.00 O ATOM 0 H GLU A 128 -12.119 2.049 -12.023 1.00 0.00 H new ATOM 0 HA GLU A 128 -12.241 0.493 -14.461 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -13.961 2.193 -13.569 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -12.833 3.443 -14.055 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.939 2.014 -16.362 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -14.533 1.656 -15.727 1.00 0.00 H new TER 2084 GLU A 128