USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 879 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 47 MET CE :methyl -131:sc=-0.00304 (180deg=-0.168) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 MET CE :methyl -154:sc= -0.112 (180deg=-1.04) USER MOD Set 2.2: A 49 MET CE :methyl 168:sc= -1.71 (180deg=-2.11) USER MOD Set 3.1: A 5 CYS SG : rot -111:sc= 1.05 USER MOD Set 3.2: A 106 MET CE :methyl 144:sc= -0.413 (180deg=-1.58!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0924 X(o=-0.092,f=-0.074) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -55:sc= 1.3 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.277 (180deg=-0.545) USER MOD Single : A 18 HIS : no HE2:sc= -2.4! C(o=-2.4!,f=-7.1!) USER MOD Single : A 21 TYR OH : rot 180:sc=-0.00124 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.0063) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= -0.133 (180deg=-0.809) USER MOD Single : A 45 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.0035) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -170:sc= 0.0401 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -76:sc= 1.21 USER MOD Single : A 61 TYR OH : rot 73:sc= -1.7! USER MOD Single : A 65 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.4!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN :FLIP amide:sc= 0.482 F(o=-2.2!,f=0.48) USER MOD Single : A 78 CYS SG : rot -160:sc= 1.71 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.29 K(o=-2.3,f=-2.8!) USER MOD Single : A 86 HIS : no HD1:sc= -0.779 X(o=-0.78,f=-0.42) USER MOD Single : A 91 MET CE :methyl 165:sc= 0 (180deg=-0.315) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc=-0.00243 X(o=-0.0024,f=0) USER MOD Single : A 101 MET CE :methyl 173:sc= 0 (180deg=-0.0726) USER MOD Single : A 105 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00706) USER MOD Single : A 108 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 171.452 -18.303 11.596 1.00 0.00 N ATOM 2 CA GLU A 1 171.360 -17.952 10.152 1.00 0.00 C ATOM 3 C GLU A 1 172.073 -16.638 9.857 1.00 0.00 C ATOM 4 O GLU A 1 171.844 -15.632 10.530 1.00 0.00 O ATOM 5 CB GLU A 1 169.882 -17.846 9.762 1.00 0.00 C ATOM 6 CG GLU A 1 169.568 -18.426 8.392 1.00 0.00 C ATOM 7 CD GLU A 1 168.523 -19.522 8.450 1.00 0.00 C ATOM 8 OE1 GLU A 1 168.865 -20.645 8.877 1.00 0.00 O ATOM 9 OE2 GLU A 1 167.362 -19.257 8.074 1.00 0.00 O ATOM 0 H1 GLU A 1 170.958 -19.202 11.767 1.00 0.00 H new ATOM 0 H2 GLU A 1 172.451 -18.400 11.867 1.00 0.00 H new ATOM 0 H3 GLU A 1 171.011 -17.552 12.165 1.00 0.00 H new ATOM 0 HA GLU A 1 171.848 -18.732 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 1 169.280 -18.360 10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 1 169.585 -16.797 9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 1 169.218 -17.629 7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 1 170.482 -18.823 7.951 1.00 0.00 H new ATOM 18 N GLN A 2 172.935 -16.653 8.843 1.00 0.00 N ATOM 19 CA GLN A 2 173.682 -15.461 8.452 1.00 0.00 C ATOM 20 C GLN A 2 172.745 -14.389 7.896 1.00 0.00 C ATOM 21 O GLN A 2 172.963 -13.196 8.110 1.00 0.00 O ATOM 22 CB GLN A 2 174.754 -15.818 7.419 1.00 0.00 C ATOM 23 CG GLN A 2 175.736 -16.877 7.902 1.00 0.00 C ATOM 24 CD GLN A 2 176.128 -17.856 6.811 1.00 0.00 C ATOM 25 OE1 GLN A 2 177.280 -17.892 6.379 1.00 0.00 O ATOM 26 NE2 GLN A 2 175.170 -18.660 6.359 1.00 0.00 N ATOM 0 H GLN A 2 173.133 -17.478 8.277 1.00 0.00 H new ATOM 0 HA GLN A 2 174.171 -15.060 9.340 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.268 -16.173 6.510 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.306 -14.916 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 2 176.632 -16.388 8.284 1.00 0.00 H new ATOM 0 HG3 GLN A 2 175.293 -17.425 8.733 1.00 0.00 H new ATOM 0 HE21 GLN A 2 174.228 -18.598 6.745 1.00 0.00 H new ATOM 0 HE22 GLN A 2 175.377 -19.339 5.627 1.00 0.00 H new ATOM 35 N LEU A 3 171.696 -14.820 7.191 1.00 0.00 N ATOM 36 CA LEU A 3 170.722 -13.892 6.619 1.00 0.00 C ATOM 37 C LEU A 3 170.037 -13.079 7.718 1.00 0.00 C ATOM 38 O LEU A 3 169.876 -11.864 7.592 1.00 0.00 O ATOM 39 CB LEU A 3 169.670 -14.650 5.802 1.00 0.00 C ATOM 40 CG LEU A 3 170.000 -14.831 4.317 1.00 0.00 C ATOM 41 CD1 LEU A 3 169.041 -15.823 3.675 1.00 0.00 C ATOM 42 CD2 LEU A 3 169.950 -13.493 3.591 1.00 0.00 C ATOM 0 H LEU A 3 171.501 -15.804 7.004 1.00 0.00 H new ATOM 0 HA LEU A 3 171.257 -13.209 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 3 169.527 -15.634 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 3 168.720 -14.122 5.884 1.00 0.00 H new ATOM 0 HG LEU A 3 171.012 -15.228 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 3 169.290 -15.939 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 3 169.125 -16.787 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 3 168.020 -15.454 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 3 170.187 -13.642 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 3 168.951 -13.067 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 3 170.676 -12.811 4.034 1.00 0.00 H new ATOM 54 N LYS A 4 169.638 -13.756 8.798 1.00 0.00 N ATOM 55 CA LYS A 4 168.975 -13.092 9.919 1.00 0.00 C ATOM 56 C LYS A 4 169.959 -12.225 10.706 1.00 0.00 C ATOM 57 O LYS A 4 169.594 -11.161 11.203 1.00 0.00 O ATOM 58 CB LYS A 4 168.319 -14.119 10.848 1.00 0.00 C ATOM 59 CG LYS A 4 166.964 -13.676 11.381 1.00 0.00 C ATOM 60 CD LYS A 4 165.911 -14.763 11.218 1.00 0.00 C ATOM 61 CE LYS A 4 164.561 -14.181 10.824 1.00 0.00 C ATOM 62 NZ LYS A 4 163.648 -15.216 10.261 1.00 0.00 N ATOM 0 H LYS A 4 169.763 -14.761 8.918 1.00 0.00 H new ATOM 0 HA LYS A 4 168.199 -12.445 9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 4 168.199 -15.060 10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 4 168.985 -14.315 11.688 1.00 0.00 H new ATOM 0 HG2 LYS A 4 167.056 -13.414 12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 4 166.643 -12.777 10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 4 166.236 -15.475 10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 4 165.811 -15.316 12.152 1.00 0.00 H new ATOM 0 HE2 LYS A 4 164.095 -13.723 11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 4 164.708 -13.389 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 162.740 -14.777 10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 164.080 -15.636 9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 163.486 -15.959 10.971 1.00 0.00 H new ATOM 76 N CYS A 5 171.209 -12.682 10.812 1.00 0.00 N ATOM 77 CA CYS A 5 172.239 -11.935 11.534 1.00 0.00 C ATOM 78 C CYS A 5 172.586 -10.639 10.800 1.00 0.00 C ATOM 79 O CYS A 5 172.801 -9.600 11.427 1.00 0.00 O ATOM 80 CB CYS A 5 173.501 -12.784 11.709 1.00 0.00 C ATOM 81 SG CYS A 5 174.177 -12.762 13.386 1.00 0.00 S ATOM 0 H CYS A 5 171.530 -13.562 10.409 1.00 0.00 H new ATOM 0 HA CYS A 5 171.842 -11.686 12.518 1.00 0.00 H new ATOM 0 HB2 CYS A 5 173.274 -13.814 11.433 1.00 0.00 H new ATOM 0 HB3 CYS A 5 174.264 -12.429 11.016 1.00 0.00 H new ATOM 0 HG CYS A 5 175.310 -12.125 13.389 1.00 0.00 H new ATOM 87 N CYS A 6 172.640 -10.712 9.467 1.00 0.00 N ATOM 88 CA CYS A 6 172.960 -9.550 8.639 1.00 0.00 C ATOM 89 C CYS A 6 171.905 -8.453 8.788 1.00 0.00 C ATOM 90 O CYS A 6 172.235 -7.266 8.797 1.00 0.00 O ATOM 91 CB CYS A 6 173.078 -9.956 7.167 1.00 0.00 C ATOM 92 SG CYS A 6 174.682 -10.662 6.718 1.00 0.00 S ATOM 0 H CYS A 6 172.465 -11.567 8.939 1.00 0.00 H new ATOM 0 HA CYS A 6 173.917 -9.156 8.981 1.00 0.00 H new ATOM 0 HB2 CYS A 6 172.298 -10.682 6.938 1.00 0.00 H new ATOM 0 HB3 CYS A 6 172.892 -9.081 6.544 1.00 0.00 H new ATOM 0 HG CYS A 6 174.681 -10.975 5.456 1.00 0.00 H new ATOM 98 N SER A 7 170.636 -8.854 8.903 1.00 0.00 N ATOM 99 CA SER A 7 169.540 -7.896 9.051 1.00 0.00 C ATOM 100 C SER A 7 169.753 -6.998 10.273 1.00 0.00 C ATOM 101 O SER A 7 169.384 -5.822 10.256 1.00 0.00 O ATOM 102 CB SER A 7 168.195 -8.625 9.152 1.00 0.00 C ATOM 103 OG SER A 7 167.987 -9.155 10.450 1.00 0.00 O ATOM 0 H SER A 7 170.344 -9.831 8.896 1.00 0.00 H new ATOM 0 HA SER A 7 169.527 -7.263 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 7 167.387 -7.936 8.906 1.00 0.00 H new ATOM 0 HB3 SER A 7 168.161 -9.431 8.419 1.00 0.00 H new ATOM 0 HG SER A 7 168.745 -9.726 10.695 1.00 0.00 H new ATOM 109 N GLY A 8 170.359 -7.557 11.326 1.00 0.00 N ATOM 110 CA GLY A 8 170.619 -6.792 12.536 1.00 0.00 C ATOM 111 C GLY A 8 171.497 -5.580 12.275 1.00 0.00 C ATOM 112 O GLY A 8 171.222 -4.494 12.785 1.00 0.00 O ATOM 0 H GLY A 8 170.673 -8.527 11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 8 169.673 -6.466 12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 8 171.101 -7.435 13.273 1.00 0.00 H new ATOM 116 N ILE A 9 172.545 -5.762 11.469 1.00 0.00 N ATOM 117 CA ILE A 9 173.452 -4.665 11.133 1.00 0.00 C ATOM 118 C ILE A 9 172.714 -3.582 10.349 1.00 0.00 C ATOM 119 O ILE A 9 172.888 -2.388 10.601 1.00 0.00 O ATOM 120 CB ILE A 9 174.662 -5.150 10.303 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.372 -6.310 11.008 1.00 0.00 C ATOM 122 CG2 ILE A 9 175.634 -4.003 10.059 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.346 -7.048 10.117 1.00 0.00 C ATOM 0 H ILE A 9 172.785 -6.655 11.039 1.00 0.00 H new ATOM 0 HA ILE A 9 173.820 -4.258 12.075 1.00 0.00 H new ATOM 0 HB ILE A 9 174.295 -5.506 9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 9 175.906 -5.925 11.877 1.00 0.00 H new ATOM 0 HG13 ILE A 9 174.625 -7.013 11.378 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.480 -4.362 9.473 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.127 -3.206 9.514 1.00 0.00 H new ATOM 0 HG23 ILE A 9 175.991 -3.619 11.015 1.00 0.00 H new ATOM 0 HD11 ILE A 9 176.813 -7.856 10.680 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.814 -7.462 9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.114 -6.358 9.768 1.00 0.00 H new ATOM 135 N LEU A 10 171.878 -4.012 9.403 1.00 0.00 N ATOM 136 CA LEU A 10 171.097 -3.088 8.587 1.00 0.00 C ATOM 137 C LEU A 10 170.113 -2.300 9.454 1.00 0.00 C ATOM 138 O LEU A 10 169.851 -1.124 9.196 1.00 0.00 O ATOM 139 CB LEU A 10 170.338 -3.844 7.488 1.00 0.00 C ATOM 140 CG LEU A 10 171.201 -4.731 6.581 1.00 0.00 C ATOM 141 CD1 LEU A 10 170.325 -5.532 5.628 1.00 0.00 C ATOM 142 CD2 LEU A 10 172.206 -3.891 5.804 1.00 0.00 C ATOM 0 H LEU A 10 171.726 -4.997 9.184 1.00 0.00 H new ATOM 0 HA LEU A 10 171.788 -2.388 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 10 169.577 -4.467 7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.815 -3.117 6.866 1.00 0.00 H new ATOM 0 HG LEU A 10 171.753 -5.428 7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 10 170.954 -6.155 4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 10 169.648 -6.165 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 10 169.745 -4.850 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 10 172.807 -4.540 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 10 171.675 -3.167 5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 10 172.856 -3.364 6.502 1.00 0.00 H new ATOM 154 N LYS A 11 169.569 -2.960 10.483 1.00 0.00 N ATOM 155 CA LYS A 11 168.610 -2.325 11.389 1.00 0.00 C ATOM 156 C LYS A 11 169.203 -1.086 12.065 1.00 0.00 C ATOM 157 O LYS A 11 168.475 -0.144 12.368 1.00 0.00 O ATOM 158 CB LYS A 11 168.135 -3.320 12.455 1.00 0.00 C ATOM 159 CG LYS A 11 166.709 -3.808 12.241 1.00 0.00 C ATOM 160 CD LYS A 11 165.949 -3.925 13.555 1.00 0.00 C ATOM 161 CE LYS A 11 165.433 -5.340 13.781 1.00 0.00 C ATOM 162 NZ LYS A 11 166.327 -6.127 14.678 1.00 0.00 N ATOM 0 H LYS A 11 169.778 -3.933 10.707 1.00 0.00 H new ATOM 0 HA LYS A 11 167.759 -2.007 10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 11 168.806 -4.179 12.464 1.00 0.00 H new ATOM 0 HB3 LYS A 11 168.206 -2.850 13.436 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.185 -3.120 11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.727 -4.778 11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 11 166.602 -3.639 14.380 1.00 0.00 H new ATOM 0 HD3 LYS A 11 165.111 -3.228 13.555 1.00 0.00 H new ATOM 0 HE2 LYS A 11 164.434 -5.296 14.214 1.00 0.00 H new ATOM 0 HE3 LYS A 11 165.343 -5.850 12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 165.938 -7.083 14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 167.274 -6.192 14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 166.393 -5.655 15.603 1.00 0.00 H new ATOM 176 N GLU A 12 170.520 -1.085 12.292 1.00 0.00 N ATOM 177 CA GLU A 12 171.190 0.055 12.928 1.00 0.00 C ATOM 178 C GLU A 12 170.980 1.336 12.125 1.00 0.00 C ATOM 179 O GLU A 12 170.819 2.413 12.703 1.00 0.00 O ATOM 180 CB GLU A 12 172.691 -0.222 13.089 1.00 0.00 C ATOM 181 CG GLU A 12 173.093 -0.650 14.492 1.00 0.00 C ATOM 182 CD GLU A 12 172.326 -1.868 14.972 1.00 0.00 C ATOM 183 OE1 GLU A 12 171.235 -1.693 15.556 1.00 0.00 O ATOM 184 OE2 GLU A 12 172.814 -2.997 14.758 1.00 0.00 O ATOM 0 H GLU A 12 171.141 -1.856 12.047 1.00 0.00 H new ATOM 0 HA GLU A 12 170.747 0.191 13.915 1.00 0.00 H new ATOM 0 HB2 GLU A 12 172.984 -1.000 12.385 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.247 0.676 12.821 1.00 0.00 H new ATOM 0 HG2 GLU A 12 174.161 -0.867 14.510 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.924 0.176 15.182 1.00 0.00 H new ATOM 191 N MET A 13 170.969 1.217 10.797 1.00 0.00 N ATOM 192 CA MET A 13 170.759 2.376 9.932 1.00 0.00 C ATOM 193 C MET A 13 169.417 3.041 10.244 1.00 0.00 C ATOM 194 O MET A 13 169.305 4.267 10.227 1.00 0.00 O ATOM 195 CB MET A 13 170.815 1.966 8.458 1.00 0.00 C ATOM 196 CG MET A 13 172.220 1.969 7.876 1.00 0.00 C ATOM 197 SD MET A 13 172.601 0.454 6.973 1.00 0.00 S ATOM 198 CE MET A 13 174.242 0.827 6.358 1.00 0.00 C ATOM 0 H MET A 13 171.102 0.336 10.301 1.00 0.00 H new ATOM 0 HA MET A 13 171.557 3.093 10.123 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.389 0.968 8.351 1.00 0.00 H new ATOM 0 HB3 MET A 13 170.189 2.644 7.877 1.00 0.00 H new ATOM 0 HG2 MET A 13 172.331 2.823 7.208 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.943 2.099 8.682 1.00 0.00 H new ATOM 0 HE1 MET A 13 174.430 0.253 5.451 1.00 0.00 H new ATOM 0 HE2 MET A 13 174.314 1.892 6.135 1.00 0.00 H new ATOM 0 HE3 MET A 13 174.982 0.564 7.114 1.00 0.00 H new ATOM 208 N PHE A 14 168.405 2.222 10.542 1.00 0.00 N ATOM 209 CA PHE A 14 167.074 2.727 10.875 1.00 0.00 C ATOM 210 C PHE A 14 166.803 2.645 12.385 1.00 0.00 C ATOM 211 O PHE A 14 165.689 2.922 12.834 1.00 0.00 O ATOM 212 CB PHE A 14 166.003 1.944 10.112 1.00 0.00 C ATOM 213 CG PHE A 14 165.061 2.817 9.330 1.00 0.00 C ATOM 214 CD1 PHE A 14 163.959 3.395 9.941 1.00 0.00 C ATOM 215 CD2 PHE A 14 165.278 3.056 7.984 1.00 0.00 C ATOM 216 CE1 PHE A 14 163.092 4.196 9.221 1.00 0.00 C ATOM 217 CE2 PHE A 14 164.416 3.856 7.259 1.00 0.00 C ATOM 218 CZ PHE A 14 163.321 4.426 7.878 1.00 0.00 C ATOM 0 H PHE A 14 168.484 1.205 10.559 1.00 0.00 H new ATOM 0 HA PHE A 14 167.035 3.775 10.580 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.491 1.248 9.430 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.428 1.347 10.820 1.00 0.00 H new ATOM 0 HD1 PHE A 14 163.776 3.218 10.990 1.00 0.00 H new ATOM 0 HD2 PHE A 14 166.132 2.612 7.494 1.00 0.00 H new ATOM 0 HE1 PHE A 14 162.237 4.641 9.708 1.00 0.00 H new ATOM 0 HE2 PHE A 14 164.598 4.035 6.210 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.645 5.051 7.313 1.00 0.00 H new ATOM 228 N ALA A 15 167.823 2.271 13.167 1.00 0.00 N ATOM 229 CA ALA A 15 167.682 2.164 14.620 1.00 0.00 C ATOM 230 C ALA A 15 168.046 3.478 15.318 1.00 0.00 C ATOM 231 O ALA A 15 168.233 3.510 16.537 1.00 0.00 O ATOM 232 CB ALA A 15 168.544 1.027 15.152 1.00 0.00 C ATOM 0 H ALA A 15 168.752 2.038 12.817 1.00 0.00 H new ATOM 0 HA ALA A 15 166.636 1.950 14.838 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.429 0.959 16.234 1.00 0.00 H new ATOM 0 HB2 ALA A 15 168.231 0.088 14.694 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.589 1.219 14.909 1.00 0.00 H new ATOM 238 N LYS A 16 168.147 4.556 14.535 1.00 0.00 N ATOM 239 CA LYS A 16 168.486 5.883 15.058 1.00 0.00 C ATOM 240 C LYS A 16 169.961 5.967 15.460 1.00 0.00 C ATOM 241 O LYS A 16 170.341 6.807 16.277 1.00 0.00 O ATOM 242 CB LYS A 16 167.591 6.248 16.251 1.00 0.00 C ATOM 243 CG LYS A 16 166.118 5.922 16.040 1.00 0.00 C ATOM 244 CD LYS A 16 165.529 5.194 17.240 1.00 0.00 C ATOM 245 CE LYS A 16 164.620 6.101 18.058 1.00 0.00 C ATOM 246 NZ LYS A 16 165.391 7.047 18.913 1.00 0.00 N ATOM 0 H LYS A 16 167.997 4.534 13.526 1.00 0.00 H new ATOM 0 HA LYS A 16 168.311 6.601 14.257 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.947 5.719 17.135 1.00 0.00 H new ATOM 0 HB3 LYS A 16 167.691 7.314 16.455 1.00 0.00 H new ATOM 0 HG2 LYS A 16 165.562 6.843 15.863 1.00 0.00 H new ATOM 0 HG3 LYS A 16 166.005 5.306 15.148 1.00 0.00 H new ATOM 0 HD2 LYS A 16 164.965 4.326 16.898 1.00 0.00 H new ATOM 0 HD3 LYS A 16 166.336 4.822 17.872 1.00 0.00 H new ATOM 0 HE2 LYS A 16 163.973 6.665 17.386 1.00 0.00 H new ATOM 0 HE3 LYS A 16 163.972 5.491 18.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 164.732 7.644 19.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 165.989 6.510 19.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 165.991 7.648 18.312 1.00 0.00 H new ATOM 260 N LYS A 17 170.790 5.103 14.872 1.00 0.00 N ATOM 261 CA LYS A 17 172.224 5.091 15.161 1.00 0.00 C ATOM 262 C LYS A 17 173.035 5.467 13.920 1.00 0.00 C ATOM 263 O LYS A 17 174.083 6.105 14.027 1.00 0.00 O ATOM 264 CB LYS A 17 172.656 3.717 15.678 1.00 0.00 C ATOM 265 CG LYS A 17 172.082 3.377 17.044 1.00 0.00 C ATOM 266 CD LYS A 17 172.528 2.000 17.511 1.00 0.00 C ATOM 267 CE LYS A 17 171.478 0.941 17.214 1.00 0.00 C ATOM 268 NZ LYS A 17 170.254 1.116 18.046 1.00 0.00 N ATOM 0 H LYS A 17 170.493 4.403 14.193 1.00 0.00 H new ATOM 0 HA LYS A 17 172.417 5.834 15.935 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.347 2.955 14.963 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.744 3.683 15.731 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.397 4.128 17.769 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.993 3.413 17.001 1.00 0.00 H new ATOM 0 HD2 LYS A 17 173.463 1.734 17.019 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.727 2.025 18.582 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.208 0.985 16.159 1.00 0.00 H new ATOM 0 HE3 LYS A 17 171.900 -0.048 17.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 169.705 0.233 18.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 170.528 1.353 19.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 169.674 1.885 17.653 1.00 0.00 H new ATOM 282 N HIS A 18 172.539 5.077 12.744 1.00 0.00 N ATOM 283 CA HIS A 18 173.209 5.381 11.485 1.00 0.00 C ATOM 284 C HIS A 18 172.259 6.080 10.509 1.00 0.00 C ATOM 285 O HIS A 18 172.501 6.094 9.302 1.00 0.00 O ATOM 286 CB HIS A 18 173.755 4.099 10.854 1.00 0.00 C ATOM 287 CG HIS A 18 175.221 3.910 11.075 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.163 4.852 10.724 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.905 2.883 11.630 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.364 4.413 11.052 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.235 3.220 11.605 1.00 0.00 N ATOM 0 H HIS A 18 171.673 4.548 12.641 1.00 0.00 H new ATOM 0 HA HIS A 18 174.037 6.057 11.699 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.219 3.243 11.265 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.555 4.116 9.783 1.00 0.00 H new ATOM 0 HD1 HIS A 18 175.964 5.748 10.280 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.483 1.969 12.020 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.294 4.939 10.895 1.00 0.00 H new ATOM 300 N ALA A 19 171.182 6.664 11.037 1.00 0.00 N ATOM 301 CA ALA A 19 170.207 7.364 10.208 1.00 0.00 C ATOM 302 C ALA A 19 170.745 8.716 9.752 1.00 0.00 C ATOM 303 O ALA A 19 170.448 9.165 8.647 1.00 0.00 O ATOM 304 CB ALA A 19 168.898 7.547 10.961 1.00 0.00 C ATOM 0 H ALA A 19 170.966 6.665 12.034 1.00 0.00 H new ATOM 0 HA ALA A 19 170.021 6.754 9.324 1.00 0.00 H new ATOM 0 HB1 ALA A 19 168.183 8.071 10.326 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.495 6.571 11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 19 169.076 8.130 11.865 1.00 0.00 H new ATOM 310 N ALA A 20 171.540 9.358 10.607 1.00 0.00 N ATOM 311 CA ALA A 20 172.118 10.660 10.280 1.00 0.00 C ATOM 312 C ALA A 20 173.225 10.530 9.237 1.00 0.00 C ATOM 313 O ALA A 20 173.349 11.371 8.346 1.00 0.00 O ATOM 314 CB ALA A 20 172.648 11.344 11.534 1.00 0.00 C ATOM 0 H ALA A 20 171.797 9.000 11.527 1.00 0.00 H new ATOM 0 HA ALA A 20 171.326 11.276 9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 20 173.074 12.312 11.268 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.832 11.489 12.242 1.00 0.00 H new ATOM 0 HB3 ALA A 20 173.418 10.722 11.990 1.00 0.00 H new ATOM 320 N TYR A 21 174.026 9.471 9.349 1.00 0.00 N ATOM 321 CA TYR A 21 175.118 9.237 8.408 1.00 0.00 C ATOM 322 C TYR A 21 174.623 8.535 7.143 1.00 0.00 C ATOM 323 O TYR A 21 175.150 8.767 6.054 1.00 0.00 O ATOM 324 CB TYR A 21 176.227 8.414 9.065 1.00 0.00 C ATOM 325 CG TYR A 21 177.318 9.261 9.681 1.00 0.00 C ATOM 326 CD1 TYR A 21 177.118 9.914 10.891 1.00 0.00 C ATOM 327 CD2 TYR A 21 178.545 9.413 9.048 1.00 0.00 C ATOM 328 CE1 TYR A 21 178.111 10.692 11.453 1.00 0.00 C ATOM 329 CE2 TYR A 21 179.543 10.189 9.605 1.00 0.00 C ATOM 330 CZ TYR A 21 179.321 10.827 10.806 1.00 0.00 C ATOM 331 OH TYR A 21 180.314 11.601 11.364 1.00 0.00 O ATOM 0 H TYR A 21 173.939 8.764 10.080 1.00 0.00 H new ATOM 0 HA TYR A 21 175.520 10.209 8.122 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.790 7.780 9.836 1.00 0.00 H new ATOM 0 HB3 TYR A 21 176.668 7.752 8.320 1.00 0.00 H new ATOM 0 HD1 TYR A 21 176.171 9.812 11.400 1.00 0.00 H new ATOM 0 HD2 TYR A 21 178.722 8.917 8.105 1.00 0.00 H new ATOM 0 HE1 TYR A 21 177.941 11.192 12.395 1.00 0.00 H new ATOM 0 HE2 TYR A 21 180.493 10.295 9.102 1.00 0.00 H new ATOM 0 HH TYR A 21 181.103 11.590 10.783 1.00 0.00 H new ATOM 341 N ALA A 22 173.608 7.680 7.289 1.00 0.00 N ATOM 342 CA ALA A 22 173.048 6.950 6.151 1.00 0.00 C ATOM 343 C ALA A 22 171.702 7.532 5.706 1.00 0.00 C ATOM 344 O ALA A 22 170.893 6.836 5.089 1.00 0.00 O ATOM 345 CB ALA A 22 172.900 5.471 6.490 1.00 0.00 C ATOM 0 H ALA A 22 173.159 7.477 8.182 1.00 0.00 H new ATOM 0 HA ALA A 22 173.743 7.057 5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 22 172.482 4.941 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.877 5.054 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 22 172.234 5.359 7.346 1.00 0.00 H new ATOM 351 N TRP A 23 171.469 8.811 6.011 1.00 0.00 N ATOM 352 CA TRP A 23 170.223 9.473 5.629 1.00 0.00 C ATOM 353 C TRP A 23 170.125 9.615 4.108 1.00 0.00 C ATOM 354 O TRP A 23 169.165 9.141 3.498 1.00 0.00 O ATOM 355 CB TRP A 23 170.115 10.851 6.296 1.00 0.00 C ATOM 356 CG TRP A 23 168.852 11.045 7.085 1.00 0.00 C ATOM 357 CD1 TRP A 23 167.656 10.411 6.898 1.00 0.00 C ATOM 358 CD2 TRP A 23 168.662 11.940 8.188 1.00 0.00 C ATOM 359 NE1 TRP A 23 166.735 10.858 7.815 1.00 0.00 N ATOM 360 CE2 TRP A 23 167.329 11.797 8.618 1.00 0.00 C ATOM 361 CE3 TRP A 23 169.490 12.848 8.855 1.00 0.00 C ATOM 362 CZ2 TRP A 23 166.807 12.528 9.683 1.00 0.00 C ATOM 363 CZ3 TRP A 23 168.971 13.573 9.910 1.00 0.00 C ATOM 364 CH2 TRP A 23 167.640 13.410 10.315 1.00 0.00 C ATOM 0 H TRP A 23 172.124 9.405 6.519 1.00 0.00 H new ATOM 0 HA TRP A 23 169.395 8.853 5.972 1.00 0.00 H new ATOM 0 HB2 TRP A 23 170.970 10.993 6.957 1.00 0.00 H new ATOM 0 HB3 TRP A 23 170.174 11.622 5.528 1.00 0.00 H new ATOM 0 HD1 TRP A 23 167.463 9.667 6.140 1.00 0.00 H new ATOM 0 HE1 TRP A 23 165.768 10.543 7.886 1.00 0.00 H new ATOM 0 HE3 TRP A 23 170.518 12.980 8.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 165.782 12.403 9.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 169.602 14.277 10.431 1.00 0.00 H new ATOM 0 HH2 TRP A 23 167.264 13.992 11.143 1.00 0.00 H new ATOM 375 N PRO A 24 171.122 10.268 3.471 1.00 0.00 N ATOM 376 CA PRO A 24 171.136 10.461 2.016 1.00 0.00 C ATOM 377 C PRO A 24 171.573 9.210 1.246 1.00 0.00 C ATOM 378 O PRO A 24 171.560 9.201 0.014 1.00 0.00 O ATOM 379 CB PRO A 24 172.155 11.584 1.830 1.00 0.00 C ATOM 380 CG PRO A 24 173.111 11.417 2.961 1.00 0.00 C ATOM 381 CD PRO A 24 172.311 10.869 4.115 1.00 0.00 C ATOM 0 HA PRO A 24 170.142 10.685 1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 24 172.661 11.504 0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 24 171.676 12.563 1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 24 173.918 10.737 2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 24 173.571 12.369 3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 24 172.878 10.127 4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 24 172.031 11.655 4.816 1.00 0.00 H new ATOM 389 N PHE A 25 171.960 8.159 1.974 1.00 0.00 N ATOM 390 CA PHE A 25 172.400 6.913 1.354 1.00 0.00 C ATOM 391 C PHE A 25 171.423 5.774 1.658 1.00 0.00 C ATOM 392 O PHE A 25 171.836 4.665 2.003 1.00 0.00 O ATOM 393 CB PHE A 25 173.804 6.548 1.849 1.00 0.00 C ATOM 394 CG PHE A 25 174.912 7.015 0.945 1.00 0.00 C ATOM 395 CD1 PHE A 25 175.017 8.348 0.578 1.00 0.00 C ATOM 396 CD2 PHE A 25 175.852 6.117 0.464 1.00 0.00 C ATOM 397 CE1 PHE A 25 176.039 8.776 -0.249 1.00 0.00 C ATOM 398 CE2 PHE A 25 176.876 6.539 -0.362 1.00 0.00 C ATOM 399 CZ PHE A 25 176.969 7.870 -0.720 1.00 0.00 C ATOM 0 H PHE A 25 171.976 8.149 2.994 1.00 0.00 H new ATOM 0 HA PHE A 25 172.427 7.060 0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.952 6.978 2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.870 5.465 1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 25 174.292 9.060 0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 25 175.783 5.075 0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 25 176.110 9.817 -0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 25 177.603 5.829 -0.727 1.00 0.00 H new ATOM 0 HZ PHE A 25 177.768 8.202 -1.367 1.00 0.00 H new ATOM 409 N TYR A 26 170.127 6.052 1.527 1.00 0.00 N ATOM 410 CA TYR A 26 169.099 5.048 1.788 1.00 0.00 C ATOM 411 C TYR A 26 168.120 4.952 0.619 1.00 0.00 C ATOM 412 O TYR A 26 167.936 3.878 0.043 1.00 0.00 O ATOM 413 CB TYR A 26 168.345 5.374 3.082 1.00 0.00 C ATOM 414 CG TYR A 26 167.977 4.152 3.897 1.00 0.00 C ATOM 415 CD1 TYR A 26 167.203 3.134 3.352 1.00 0.00 C ATOM 416 CD2 TYR A 26 168.403 4.018 5.212 1.00 0.00 C ATOM 417 CE1 TYR A 26 166.864 2.019 4.095 1.00 0.00 C ATOM 418 CE2 TYR A 26 168.069 2.906 5.961 1.00 0.00 C ATOM 419 CZ TYR A 26 167.300 1.909 5.399 1.00 0.00 C ATOM 420 OH TYR A 26 166.963 0.801 6.144 1.00 0.00 O ATOM 0 H TYR A 26 169.765 6.962 1.242 1.00 0.00 H new ATOM 0 HA TYR A 26 169.593 4.083 1.903 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.959 6.036 3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 26 167.436 5.922 2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 26 166.861 3.216 2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 26 169.006 4.796 5.657 1.00 0.00 H new ATOM 0 HE1 TYR A 26 166.261 1.238 3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 26 168.409 2.818 6.982 1.00 0.00 H new ATOM 0 HH TYR A 26 167.350 0.880 7.041 1.00 0.00 H new ATOM 430 N LYS A 27 167.497 6.079 0.273 1.00 0.00 N ATOM 431 CA LYS A 27 166.538 6.118 -0.830 1.00 0.00 C ATOM 432 C LYS A 27 167.258 6.126 -2.179 1.00 0.00 C ATOM 433 O LYS A 27 168.184 6.911 -2.391 1.00 0.00 O ATOM 434 CB LYS A 27 165.629 7.348 -0.714 1.00 0.00 C ATOM 435 CG LYS A 27 166.377 8.645 -0.442 1.00 0.00 C ATOM 436 CD LYS A 27 165.639 9.844 -1.014 1.00 0.00 C ATOM 437 CE LYS A 27 166.331 11.150 -0.655 1.00 0.00 C ATOM 438 NZ LYS A 27 167.159 11.668 -1.779 1.00 0.00 N ATOM 0 H LYS A 27 167.639 6.975 0.740 1.00 0.00 H new ATOM 0 HA LYS A 27 165.923 5.220 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 27 165.060 7.455 -1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 27 164.909 7.181 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 27 166.505 8.774 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 27 167.375 8.589 -0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 27 165.577 9.750 -2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 27 164.617 9.857 -0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 27 165.583 11.894 -0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 27 166.962 10.997 0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 167.613 12.559 -1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 167.890 10.969 -2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 166.553 11.838 -2.607 1.00 0.00 H new ATOM 452 N PRO A 28 166.839 5.243 -3.111 1.00 0.00 N ATOM 453 CA PRO A 28 167.446 5.145 -4.448 1.00 0.00 C ATOM 454 C PRO A 28 167.329 6.443 -5.243 1.00 0.00 C ATOM 455 O PRO A 28 166.813 7.447 -4.745 1.00 0.00 O ATOM 456 CB PRO A 28 166.644 4.030 -5.133 1.00 0.00 C ATOM 457 CG PRO A 28 166.010 3.268 -4.022 1.00 0.00 C ATOM 458 CD PRO A 28 165.745 4.272 -2.937 1.00 0.00 C ATOM 0 HA PRO A 28 168.515 4.944 -4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 28 165.893 4.442 -5.807 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.292 3.389 -5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 28 165.085 2.794 -4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 28 166.667 2.474 -3.668 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.767 4.741 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.766 3.813 -1.948 1.00 0.00 H new ATOM 466 N VAL A 29 167.812 6.415 -6.484 1.00 0.00 N ATOM 467 CA VAL A 29 167.763 7.586 -7.350 1.00 0.00 C ATOM 468 C VAL A 29 167.041 7.270 -8.662 1.00 0.00 C ATOM 469 O VAL A 29 167.670 7.082 -9.707 1.00 0.00 O ATOM 470 CB VAL A 29 169.180 8.133 -7.642 1.00 0.00 C ATOM 471 CG1 VAL A 29 169.824 8.647 -6.362 1.00 0.00 C ATOM 472 CG2 VAL A 29 170.056 7.070 -8.293 1.00 0.00 C ATOM 0 H VAL A 29 168.241 5.593 -6.910 1.00 0.00 H new ATOM 0 HA VAL A 29 167.202 8.356 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 29 169.085 8.963 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 29 170.821 9.029 -6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 29 169.214 9.447 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 29 169.899 7.833 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 29 171.046 7.483 -8.487 1.00 0.00 H new ATOM 0 HG22 VAL A 29 170.145 6.213 -7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 29 169.605 6.753 -9.233 1.00 0.00 H new ATOM 482 N ASP A 30 165.708 7.213 -8.594 1.00 0.00 N ATOM 483 CA ASP A 30 164.883 6.923 -9.765 1.00 0.00 C ATOM 484 C ASP A 30 165.170 7.916 -10.887 1.00 0.00 C ATOM 485 O ASP A 30 164.773 9.078 -10.814 1.00 0.00 O ATOM 486 CB ASP A 30 163.396 6.969 -9.397 1.00 0.00 C ATOM 487 CG ASP A 30 162.587 5.921 -10.133 1.00 0.00 C ATOM 488 OD1 ASP A 30 162.476 4.789 -9.618 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.065 6.233 -11.224 1.00 0.00 O ATOM 0 H ASP A 30 165.178 7.365 -7.736 1.00 0.00 H new ATOM 0 HA ASP A 30 165.131 5.921 -10.114 1.00 0.00 H new ATOM 0 HB2 ASP A 30 163.286 6.821 -8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 30 162.998 7.958 -9.625 1.00 0.00 H new ATOM 494 N VAL A 31 165.872 7.452 -11.917 1.00 0.00 N ATOM 495 CA VAL A 31 166.223 8.304 -13.049 1.00 0.00 C ATOM 496 C VAL A 31 164.977 8.873 -13.737 1.00 0.00 C ATOM 497 O VAL A 31 164.963 10.039 -14.132 1.00 0.00 O ATOM 498 CB VAL A 31 167.098 7.543 -14.073 1.00 0.00 C ATOM 499 CG1 VAL A 31 166.356 6.345 -14.652 1.00 0.00 C ATOM 500 CG2 VAL A 31 167.574 8.473 -15.182 1.00 0.00 C ATOM 0 H VAL A 31 166.209 6.492 -11.991 1.00 0.00 H new ATOM 0 HA VAL A 31 166.801 9.139 -12.652 1.00 0.00 H new ATOM 0 HB VAL A 31 167.975 7.169 -13.545 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.997 5.831 -15.368 1.00 0.00 H new ATOM 0 HG12 VAL A 31 166.088 5.660 -13.848 1.00 0.00 H new ATOM 0 HG13 VAL A 31 165.451 6.686 -15.155 1.00 0.00 H new ATOM 0 HG21 VAL A 31 168.187 7.913 -15.888 1.00 0.00 H new ATOM 0 HG22 VAL A 31 166.712 8.891 -15.702 1.00 0.00 H new ATOM 0 HG23 VAL A 31 168.164 9.281 -14.751 1.00 0.00 H new ATOM 510 N GLU A 32 163.936 8.049 -13.875 1.00 0.00 N ATOM 511 CA GLU A 32 162.692 8.483 -14.511 1.00 0.00 C ATOM 512 C GLU A 32 161.902 9.443 -13.616 1.00 0.00 C ATOM 513 O GLU A 32 161.424 10.479 -14.080 1.00 0.00 O ATOM 514 CB GLU A 32 161.830 7.273 -14.882 1.00 0.00 C ATOM 515 CG GLU A 32 162.326 6.546 -16.123 1.00 0.00 C ATOM 516 CD GLU A 32 161.757 5.146 -16.261 1.00 0.00 C ATOM 517 OE1 GLU A 32 161.789 4.388 -15.268 1.00 0.00 O ATOM 518 OE2 GLU A 32 161.286 4.805 -17.367 1.00 0.00 O ATOM 0 H GLU A 32 163.930 7.080 -13.556 1.00 0.00 H new ATOM 0 HA GLU A 32 162.959 9.022 -15.420 1.00 0.00 H new ATOM 0 HB2 GLU A 32 161.811 6.577 -14.043 1.00 0.00 H new ATOM 0 HB3 GLU A 32 160.804 7.602 -15.046 1.00 0.00 H new ATOM 0 HG2 GLU A 32 162.063 7.127 -17.007 1.00 0.00 H new ATOM 0 HG3 GLU A 32 163.414 6.488 -16.092 1.00 0.00 H new ATOM 525 N ALA A 33 161.755 9.087 -12.337 1.00 0.00 N ATOM 526 CA ALA A 33 161.007 9.915 -11.389 1.00 0.00 C ATOM 527 C ALA A 33 161.754 11.201 -11.034 1.00 0.00 C ATOM 528 O ALA A 33 161.169 12.284 -11.045 1.00 0.00 O ATOM 529 CB ALA A 33 160.687 9.127 -10.124 1.00 0.00 C ATOM 0 H ALA A 33 162.143 8.233 -11.936 1.00 0.00 H new ATOM 0 HA ALA A 33 160.075 10.200 -11.878 1.00 0.00 H new ATOM 0 HB1 ALA A 33 160.131 9.760 -9.432 1.00 0.00 H new ATOM 0 HB2 ALA A 33 160.086 8.255 -10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 33 161.615 8.802 -9.653 1.00 0.00 H new ATOM 535 N LEU A 34 163.040 11.079 -10.709 1.00 0.00 N ATOM 536 CA LEU A 34 163.850 12.242 -10.341 1.00 0.00 C ATOM 537 C LEU A 34 164.358 12.996 -11.571 1.00 0.00 C ATOM 538 O LEU A 34 164.706 14.175 -11.479 1.00 0.00 O ATOM 539 CB LEU A 34 165.035 11.812 -9.472 1.00 0.00 C ATOM 540 CG LEU A 34 164.662 11.129 -8.154 1.00 0.00 C ATOM 541 CD1 LEU A 34 165.861 10.391 -7.575 1.00 0.00 C ATOM 542 CD2 LEU A 34 164.127 12.148 -7.156 1.00 0.00 C ATOM 0 H LEU A 34 163.543 10.192 -10.693 1.00 0.00 H new ATOM 0 HA LEU A 34 163.209 12.917 -9.775 1.00 0.00 H new ATOM 0 HB2 LEU A 34 165.662 11.133 -10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 34 165.639 12.691 -9.249 1.00 0.00 H new ATOM 0 HG LEU A 34 163.876 10.401 -8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 34 165.576 9.912 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 34 166.198 9.633 -8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 34 166.669 11.099 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 34 163.867 11.644 -6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 34 164.890 12.901 -6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 34 163.240 12.629 -7.568 1.00 0.00 H new ATOM 554 N GLY A 35 164.401 12.317 -12.719 1.00 0.00 N ATOM 555 CA GLY A 35 164.871 12.949 -13.942 1.00 0.00 C ATOM 556 C GLY A 35 166.372 13.163 -13.941 1.00 0.00 C ATOM 557 O GLY A 35 166.840 14.301 -13.967 1.00 0.00 O ATOM 0 H GLY A 35 164.119 11.342 -12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 35 164.595 12.331 -14.796 1.00 0.00 H new ATOM 0 HA3 GLY A 35 164.370 13.909 -14.068 1.00 0.00 H new ATOM 561 N LEU A 36 167.128 12.066 -13.907 1.00 0.00 N ATOM 562 CA LEU A 36 168.587 12.139 -13.898 1.00 0.00 C ATOM 563 C LEU A 36 169.175 11.551 -15.177 1.00 0.00 C ATOM 564 O LEU A 36 169.802 10.489 -15.153 1.00 0.00 O ATOM 565 CB LEU A 36 169.162 11.401 -12.686 1.00 0.00 C ATOM 566 CG LEU A 36 168.334 11.476 -11.404 1.00 0.00 C ATOM 567 CD1 LEU A 36 168.581 10.240 -10.556 1.00 0.00 C ATOM 568 CD2 LEU A 36 168.667 12.741 -10.626 1.00 0.00 C ATOM 0 H LEU A 36 166.754 11.117 -13.885 1.00 0.00 H new ATOM 0 HA LEU A 36 168.860 13.193 -13.837 1.00 0.00 H new ATOM 0 HB2 LEU A 36 169.291 10.352 -12.951 1.00 0.00 H new ATOM 0 HB3 LEU A 36 170.154 11.801 -12.478 1.00 0.00 H new ATOM 0 HG LEU A 36 167.277 11.512 -11.668 1.00 0.00 H new ATOM 0 HD11 LEU A 36 167.988 10.300 -9.644 1.00 0.00 H new ATOM 0 HD12 LEU A 36 168.295 9.351 -11.117 1.00 0.00 H new ATOM 0 HD13 LEU A 36 169.638 10.181 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 36 168.068 12.777 -9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 36 169.725 12.739 -10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 36 168.447 13.614 -11.240 1.00 0.00 H new ATOM 580 N HIS A 37 168.982 12.247 -16.291 1.00 0.00 N ATOM 581 CA HIS A 37 169.509 11.790 -17.575 1.00 0.00 C ATOM 582 C HIS A 37 171.042 11.796 -17.585 1.00 0.00 C ATOM 583 O HIS A 37 171.660 11.215 -18.479 1.00 0.00 O ATOM 584 CB HIS A 37 168.972 12.657 -18.717 1.00 0.00 C ATOM 585 CG HIS A 37 167.591 12.278 -19.158 1.00 0.00 C ATOM 586 ND1 HIS A 37 166.646 13.203 -19.553 1.00 0.00 N ATOM 587 CD2 HIS A 37 166.994 11.066 -19.265 1.00 0.00 C ATOM 588 CE1 HIS A 37 165.529 12.576 -19.881 1.00 0.00 C ATOM 589 NE2 HIS A 37 165.716 11.280 -19.716 1.00 0.00 N ATOM 0 H HIS A 37 168.467 13.126 -16.333 1.00 0.00 H new ATOM 0 HA HIS A 37 169.173 10.763 -17.722 1.00 0.00 H new ATOM 0 HB2 HIS A 37 168.970 13.700 -18.400 1.00 0.00 H new ATOM 0 HB3 HIS A 37 169.649 12.583 -19.568 1.00 0.00 H new ATOM 0 HD2 HIS A 37 167.441 10.110 -19.038 1.00 0.00 H new ATOM 0 HE1 HIS A 37 164.619 13.045 -20.225 1.00 0.00 H new ATOM 0 HE2 HIS A 37 165.022 10.554 -19.895 1.00 0.00 H new ATOM 598 N ASP A 38 171.653 12.440 -16.584 1.00 0.00 N ATOM 599 CA ASP A 38 173.110 12.497 -16.492 1.00 0.00 C ATOM 600 C ASP A 38 173.654 11.360 -15.626 1.00 0.00 C ATOM 601 O ASP A 38 174.831 11.009 -15.721 1.00 0.00 O ATOM 602 CB ASP A 38 173.556 13.844 -15.916 1.00 0.00 C ATOM 603 CG ASP A 38 174.722 14.443 -16.681 1.00 0.00 C ATOM 604 OD1 ASP A 38 175.831 13.872 -16.618 1.00 0.00 O ATOM 605 OD2 ASP A 38 174.524 15.483 -17.342 1.00 0.00 O ATOM 0 H ASP A 38 171.162 12.925 -15.833 1.00 0.00 H new ATOM 0 HA ASP A 38 173.511 12.386 -17.499 1.00 0.00 H new ATOM 0 HB2 ASP A 38 172.717 14.540 -15.935 1.00 0.00 H new ATOM 0 HB3 ASP A 38 173.839 13.714 -14.871 1.00 0.00 H new ATOM 610 N TYR A 39 172.792 10.781 -14.786 1.00 0.00 N ATOM 611 CA TYR A 39 173.193 9.681 -13.912 1.00 0.00 C ATOM 612 C TYR A 39 173.659 8.476 -14.724 1.00 0.00 C ATOM 613 O TYR A 39 174.614 7.800 -14.344 1.00 0.00 O ATOM 614 CB TYR A 39 172.036 9.278 -12.996 1.00 0.00 C ATOM 615 CG TYR A 39 172.388 9.315 -11.526 1.00 0.00 C ATOM 616 CD1 TYR A 39 172.995 8.228 -10.909 1.00 0.00 C ATOM 617 CD2 TYR A 39 172.113 10.438 -10.755 1.00 0.00 C ATOM 618 CE1 TYR A 39 173.319 8.259 -9.566 1.00 0.00 C ATOM 619 CE2 TYR A 39 172.434 10.477 -9.411 1.00 0.00 C ATOM 620 CZ TYR A 39 173.036 9.385 -8.822 1.00 0.00 C ATOM 621 OH TYR A 39 173.357 9.420 -7.484 1.00 0.00 O ATOM 0 H TYR A 39 171.814 11.057 -14.694 1.00 0.00 H new ATOM 0 HA TYR A 39 174.027 10.026 -13.301 1.00 0.00 H new ATOM 0 HB2 TYR A 39 171.192 9.944 -13.176 1.00 0.00 H new ATOM 0 HB3 TYR A 39 171.710 8.272 -13.258 1.00 0.00 H new ATOM 0 HD1 TYR A 39 173.217 7.344 -11.489 1.00 0.00 H new ATOM 0 HD2 TYR A 39 171.641 11.294 -11.213 1.00 0.00 H new ATOM 0 HE1 TYR A 39 173.791 7.406 -9.102 1.00 0.00 H new ATOM 0 HE2 TYR A 39 172.215 11.358 -8.826 1.00 0.00 H new ATOM 0 HH TYR A 39 173.092 10.285 -7.107 1.00 0.00 H new ATOM 631 N CYS A 40 172.984 8.213 -15.845 1.00 0.00 N ATOM 632 CA CYS A 40 173.342 7.088 -16.709 1.00 0.00 C ATOM 633 C CYS A 40 174.741 7.274 -17.300 1.00 0.00 C ATOM 634 O CYS A 40 175.456 6.299 -17.536 1.00 0.00 O ATOM 635 CB CYS A 40 172.315 6.925 -17.835 1.00 0.00 C ATOM 636 SG CYS A 40 171.965 5.205 -18.269 1.00 0.00 S ATOM 0 H CYS A 40 172.190 8.762 -16.174 1.00 0.00 H new ATOM 0 HA CYS A 40 173.342 6.185 -16.098 1.00 0.00 H new ATOM 0 HB2 CYS A 40 171.385 7.410 -17.538 1.00 0.00 H new ATOM 0 HB3 CYS A 40 172.677 7.446 -18.721 1.00 0.00 H new ATOM 0 HG CYS A 40 171.086 5.169 -19.226 1.00 0.00 H new ATOM 642 N ASP A 41 175.130 8.530 -17.529 1.00 0.00 N ATOM 643 CA ASP A 41 176.446 8.837 -18.082 1.00 0.00 C ATOM 644 C ASP A 41 177.522 8.744 -17.002 1.00 0.00 C ATOM 645 O ASP A 41 178.570 8.132 -17.210 1.00 0.00 O ATOM 646 CB ASP A 41 176.457 10.234 -18.711 1.00 0.00 C ATOM 647 CG ASP A 41 176.164 10.205 -20.200 1.00 0.00 C ATOM 648 OD1 ASP A 41 176.795 9.398 -20.917 1.00 0.00 O ATOM 649 OD2 ASP A 41 175.305 10.992 -20.650 1.00 0.00 O ATOM 0 H ASP A 41 174.552 9.348 -17.340 1.00 0.00 H new ATOM 0 HA ASP A 41 176.664 8.102 -18.857 1.00 0.00 H new ATOM 0 HB2 ASP A 41 175.718 10.860 -18.211 1.00 0.00 H new ATOM 0 HB3 ASP A 41 177.430 10.696 -18.545 1.00 0.00 H new ATOM 654 N ILE A 42 177.253 9.355 -15.848 1.00 0.00 N ATOM 655 CA ILE A 42 178.196 9.341 -14.731 1.00 0.00 C ATOM 656 C ILE A 42 178.303 7.945 -14.110 1.00 0.00 C ATOM 657 O ILE A 42 179.390 7.515 -13.721 1.00 0.00 O ATOM 658 CB ILE A 42 177.796 10.351 -13.630 1.00 0.00 C ATOM 659 CG1 ILE A 42 177.523 11.734 -14.233 1.00 0.00 C ATOM 660 CG2 ILE A 42 178.887 10.444 -12.572 1.00 0.00 C ATOM 661 CD1 ILE A 42 176.411 12.487 -13.535 1.00 0.00 C ATOM 0 H ILE A 42 176.390 9.866 -15.663 1.00 0.00 H new ATOM 0 HA ILE A 42 179.164 9.630 -15.141 1.00 0.00 H new ATOM 0 HB ILE A 42 176.880 9.995 -13.159 1.00 0.00 H new ATOM 0 HG12 ILE A 42 178.436 12.327 -14.189 1.00 0.00 H new ATOM 0 HG13 ILE A 42 177.268 11.619 -15.286 1.00 0.00 H new ATOM 0 HG21 ILE A 42 178.590 11.159 -11.805 1.00 0.00 H new ATOM 0 HG22 ILE A 42 179.037 9.465 -12.117 1.00 0.00 H new ATOM 0 HG23 ILE A 42 179.816 10.775 -13.036 1.00 0.00 H new ATOM 0 HD11 ILE A 42 176.272 13.456 -14.013 1.00 0.00 H new ATOM 0 HD12 ILE A 42 175.486 11.914 -13.601 1.00 0.00 H new ATOM 0 HD13 ILE A 42 176.673 12.634 -12.487 1.00 0.00 H new ATOM 673 N ILE A 43 177.169 7.246 -14.013 1.00 0.00 N ATOM 674 CA ILE A 43 177.138 5.905 -13.430 1.00 0.00 C ATOM 675 C ILE A 43 176.520 4.890 -14.392 1.00 0.00 C ATOM 676 O ILE A 43 175.418 5.100 -14.904 1.00 0.00 O ATOM 677 CB ILE A 43 176.339 5.887 -12.106 1.00 0.00 C ATOM 678 CG1 ILE A 43 176.820 7.001 -11.168 1.00 0.00 C ATOM 679 CG2 ILE A 43 176.454 4.527 -11.426 1.00 0.00 C ATOM 680 CD1 ILE A 43 178.269 6.863 -10.746 1.00 0.00 C ATOM 0 H ILE A 43 176.262 7.587 -14.331 1.00 0.00 H new ATOM 0 HA ILE A 43 178.173 5.627 -13.232 1.00 0.00 H new ATOM 0 HB ILE A 43 175.289 6.065 -12.339 1.00 0.00 H new ATOM 0 HG12 ILE A 43 176.686 7.963 -11.663 1.00 0.00 H new ATOM 0 HG13 ILE A 43 176.191 7.010 -10.278 1.00 0.00 H new ATOM 0 HG21 ILE A 43 175.885 4.536 -10.496 1.00 0.00 H new ATOM 0 HG22 ILE A 43 176.059 3.755 -12.086 1.00 0.00 H new ATOM 0 HG23 ILE A 43 177.501 4.316 -11.208 1.00 0.00 H new ATOM 0 HD11 ILE A 43 178.535 7.687 -10.084 1.00 0.00 H new ATOM 0 HD12 ILE A 43 178.407 5.917 -10.222 1.00 0.00 H new ATOM 0 HD13 ILE A 43 178.909 6.885 -11.628 1.00 0.00 H new ATOM 692 N LYS A 44 177.229 3.785 -14.624 1.00 0.00 N ATOM 693 CA LYS A 44 176.743 2.730 -15.518 1.00 0.00 C ATOM 694 C LYS A 44 175.851 1.736 -14.771 1.00 0.00 C ATOM 695 O LYS A 44 174.889 1.213 -15.336 1.00 0.00 O ATOM 696 CB LYS A 44 177.913 1.986 -16.174 1.00 0.00 C ATOM 697 CG LYS A 44 178.971 1.505 -15.192 1.00 0.00 C ATOM 698 CD LYS A 44 179.951 0.543 -15.849 1.00 0.00 C ATOM 699 CE LYS A 44 181.363 1.113 -15.876 1.00 0.00 C ATOM 700 NZ LYS A 44 181.838 1.510 -14.517 1.00 0.00 N ATOM 0 H LYS A 44 178.140 3.596 -14.207 1.00 0.00 H new ATOM 0 HA LYS A 44 176.150 3.211 -16.296 1.00 0.00 H new ATOM 0 HB2 LYS A 44 177.523 1.128 -16.721 1.00 0.00 H new ATOM 0 HB3 LYS A 44 178.383 2.643 -16.905 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.514 2.362 -14.793 1.00 0.00 H new ATOM 0 HG3 LYS A 44 178.488 1.013 -14.348 1.00 0.00 H new ATOM 0 HD2 LYS A 44 179.950 -0.404 -15.308 1.00 0.00 H new ATOM 0 HD3 LYS A 44 179.625 0.329 -16.867 1.00 0.00 H new ATOM 0 HE2 LYS A 44 182.044 0.372 -16.295 1.00 0.00 H new ATOM 0 HE3 LYS A 44 181.390 1.980 -16.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 182.864 1.355 -14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 181.628 2.516 -14.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 181.353 0.936 -13.798 1.00 0.00 H new ATOM 714 N HIS A 45 176.178 1.477 -13.504 1.00 0.00 N ATOM 715 CA HIS A 45 175.407 0.544 -12.684 1.00 0.00 C ATOM 716 C HIS A 45 175.003 1.187 -11.353 1.00 0.00 C ATOM 717 O HIS A 45 175.604 0.913 -10.311 1.00 0.00 O ATOM 718 CB HIS A 45 176.221 -0.729 -12.431 1.00 0.00 C ATOM 719 CG HIS A 45 175.384 -1.962 -12.285 1.00 0.00 C ATOM 720 ND1 HIS A 45 174.723 -2.556 -13.341 1.00 0.00 N ATOM 721 CD2 HIS A 45 175.106 -2.721 -11.197 1.00 0.00 C ATOM 722 CE1 HIS A 45 174.078 -3.625 -12.910 1.00 0.00 C ATOM 723 NE2 HIS A 45 174.294 -3.747 -11.614 1.00 0.00 N ATOM 0 H HIS A 45 176.972 1.901 -13.024 1.00 0.00 H new ATOM 0 HA HIS A 45 174.497 0.284 -13.225 1.00 0.00 H new ATOM 0 HB2 HIS A 45 176.921 -0.871 -13.255 1.00 0.00 H new ATOM 0 HB3 HIS A 45 176.815 -0.595 -11.527 1.00 0.00 H new ATOM 0 HD2 HIS A 45 175.457 -2.551 -10.190 1.00 0.00 H new ATOM 0 HE1 HIS A 45 173.476 -4.287 -13.515 1.00 0.00 H new ATOM 0 HE2 HIS A 45 173.918 -4.485 -11.018 1.00 0.00 H new ATOM 732 N PRO A 46 173.974 2.058 -11.372 1.00 0.00 N ATOM 733 CA PRO A 46 173.490 2.744 -10.166 1.00 0.00 C ATOM 734 C PRO A 46 172.767 1.799 -9.203 1.00 0.00 C ATOM 735 O PRO A 46 171.857 1.069 -9.602 1.00 0.00 O ATOM 736 CB PRO A 46 172.521 3.791 -10.721 1.00 0.00 C ATOM 737 CG PRO A 46 172.051 3.226 -12.017 1.00 0.00 C ATOM 738 CD PRO A 46 173.208 2.443 -12.574 1.00 0.00 C ATOM 0 HA PRO A 46 174.308 3.166 -9.582 1.00 0.00 H new ATOM 0 HB2 PRO A 46 171.688 3.961 -10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 46 173.016 4.751 -10.865 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.181 2.585 -11.870 1.00 0.00 H new ATOM 0 HG3 PRO A 46 171.751 4.019 -12.702 1.00 0.00 H new ATOM 0 HD2 PRO A 46 172.870 1.569 -13.132 1.00 0.00 H new ATOM 0 HD3 PRO A 46 173.808 3.044 -13.257 1.00 0.00 H new ATOM 746 N MET A 47 173.180 1.817 -7.933 1.00 0.00 N ATOM 747 CA MET A 47 172.573 0.960 -6.913 1.00 0.00 C ATOM 748 C MET A 47 172.538 1.658 -5.551 1.00 0.00 C ATOM 749 O MET A 47 173.494 2.331 -5.166 1.00 0.00 O ATOM 750 CB MET A 47 173.342 -0.360 -6.806 1.00 0.00 C ATOM 751 CG MET A 47 173.096 -1.300 -7.977 1.00 0.00 C ATOM 752 SD MET A 47 173.472 -3.018 -7.582 1.00 0.00 S ATOM 753 CE MET A 47 172.062 -3.448 -6.563 1.00 0.00 C ATOM 0 H MET A 47 173.931 2.415 -7.588 1.00 0.00 H new ATOM 0 HA MET A 47 171.546 0.754 -7.215 1.00 0.00 H new ATOM 0 HB2 MET A 47 174.409 -0.146 -6.740 1.00 0.00 H new ATOM 0 HB3 MET A 47 173.059 -0.862 -5.881 1.00 0.00 H new ATOM 0 HG2 MET A 47 172.054 -1.223 -8.287 1.00 0.00 H new ATOM 0 HG3 MET A 47 173.705 -0.985 -8.824 1.00 0.00 H new ATOM 0 HE1 MET A 47 172.408 -3.929 -5.648 1.00 0.00 H new ATOM 0 HE2 MET A 47 171.506 -2.545 -6.311 1.00 0.00 H new ATOM 0 HE3 MET A 47 171.413 -4.133 -7.110 1.00 0.00 H new ATOM 763 N ASP A 48 171.428 1.489 -4.828 1.00 0.00 N ATOM 764 CA ASP A 48 171.265 2.101 -3.507 1.00 0.00 C ATOM 765 C ASP A 48 170.959 1.046 -2.443 1.00 0.00 C ATOM 766 O ASP A 48 170.710 -0.118 -2.764 1.00 0.00 O ATOM 767 CB ASP A 48 170.145 3.146 -3.538 1.00 0.00 C ATOM 768 CG ASP A 48 170.476 4.378 -2.716 1.00 0.00 C ATOM 769 OD1 ASP A 48 170.499 4.275 -1.471 1.00 0.00 O ATOM 770 OD2 ASP A 48 170.715 5.445 -3.318 1.00 0.00 O ATOM 0 H ASP A 48 170.629 0.934 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 48 172.205 2.589 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 48 169.957 3.442 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 48 169.225 2.699 -3.162 1.00 0.00 H new ATOM 775 N MET A 49 170.974 1.465 -1.175 1.00 0.00 N ATOM 776 CA MET A 49 170.695 0.560 -0.059 1.00 0.00 C ATOM 777 C MET A 49 169.318 -0.085 -0.202 1.00 0.00 C ATOM 778 O MET A 49 169.163 -1.286 0.023 1.00 0.00 O ATOM 779 CB MET A 49 170.783 1.305 1.276 1.00 0.00 C ATOM 780 CG MET A 49 172.181 1.313 1.874 1.00 0.00 C ATOM 781 SD MET A 49 172.176 1.072 3.662 1.00 0.00 S ATOM 782 CE MET A 49 171.885 2.744 4.230 1.00 0.00 C ATOM 0 H MET A 49 171.176 2.425 -0.896 1.00 0.00 H new ATOM 0 HA MET A 49 171.449 -0.227 -0.077 1.00 0.00 H new ATOM 0 HB2 MET A 49 170.452 2.333 1.132 1.00 0.00 H new ATOM 0 HB3 MET A 49 170.095 0.845 1.986 1.00 0.00 H new ATOM 0 HG2 MET A 49 172.776 0.528 1.407 1.00 0.00 H new ATOM 0 HG3 MET A 49 172.666 2.261 1.641 1.00 0.00 H new ATOM 0 HE1 MET A 49 171.644 2.730 5.293 1.00 0.00 H new ATOM 0 HE2 MET A 49 172.780 3.344 4.069 1.00 0.00 H new ATOM 0 HE3 MET A 49 171.053 3.177 3.675 1.00 0.00 H new ATOM 792 N SER A 50 168.321 0.716 -0.585 1.00 0.00 N ATOM 793 CA SER A 50 166.961 0.213 -0.765 1.00 0.00 C ATOM 794 C SER A 50 166.916 -0.848 -1.865 1.00 0.00 C ATOM 795 O SER A 50 166.218 -1.855 -1.739 1.00 0.00 O ATOM 796 CB SER A 50 166.002 1.359 -1.102 1.00 0.00 C ATOM 797 OG SER A 50 164.706 1.108 -0.583 1.00 0.00 O ATOM 0 H SER A 50 168.431 1.712 -0.775 1.00 0.00 H new ATOM 0 HA SER A 50 166.645 -0.245 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.387 2.293 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 50 165.946 1.485 -2.183 1.00 0.00 H new ATOM 0 HG SER A 50 164.113 1.854 -0.810 1.00 0.00 H new ATOM 803 N THR A 51 167.673 -0.618 -2.940 1.00 0.00 N ATOM 804 CA THR A 51 167.727 -1.556 -4.059 1.00 0.00 C ATOM 805 C THR A 51 168.333 -2.888 -3.617 1.00 0.00 C ATOM 806 O THR A 51 167.816 -3.956 -3.950 1.00 0.00 O ATOM 807 CB THR A 51 168.536 -0.964 -5.220 1.00 0.00 C ATOM 808 OG1 THR A 51 168.369 0.443 -5.288 1.00 0.00 O ATOM 809 CG2 THR A 51 168.155 -1.536 -6.570 1.00 0.00 C ATOM 0 H THR A 51 168.256 0.210 -3.058 1.00 0.00 H new ATOM 0 HA THR A 51 166.708 -1.736 -4.402 1.00 0.00 H new ATOM 0 HB THR A 51 169.572 -1.228 -5.009 1.00 0.00 H new ATOM 0 HG1 THR A 51 168.761 0.779 -6.121 1.00 0.00 H new ATOM 0 HG21 THR A 51 168.765 -1.074 -7.346 1.00 0.00 H new ATOM 0 HG22 THR A 51 168.323 -2.613 -6.569 1.00 0.00 H new ATOM 0 HG23 THR A 51 167.102 -1.333 -6.767 1.00 0.00 H new ATOM 817 N ILE A 52 169.424 -2.819 -2.854 1.00 0.00 N ATOM 818 CA ILE A 52 170.085 -4.022 -2.357 1.00 0.00 C ATOM 819 C ILE A 52 169.171 -4.771 -1.386 1.00 0.00 C ATOM 820 O ILE A 52 169.044 -5.994 -1.460 1.00 0.00 O ATOM 821 CB ILE A 52 171.421 -3.692 -1.651 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.339 -2.891 -2.584 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.113 -4.970 -1.194 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.279 -1.956 -1.855 1.00 0.00 C ATOM 0 H ILE A 52 169.866 -1.945 -2.568 1.00 0.00 H new ATOM 0 HA ILE A 52 170.300 -4.652 -3.220 1.00 0.00 H new ATOM 0 HB ILE A 52 171.204 -3.083 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 52 172.925 -3.585 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 52 171.725 -2.311 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.051 -4.719 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.467 -5.504 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.316 -5.603 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 52 173.896 -1.424 -2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 52 172.700 -1.238 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 52 173.919 -2.532 -1.186 1.00 0.00 H new ATOM 836 N LYS A 53 168.530 -4.028 -0.481 1.00 0.00 N ATOM 837 CA LYS A 53 167.623 -4.623 0.499 1.00 0.00 C ATOM 838 C LYS A 53 166.483 -5.375 -0.188 1.00 0.00 C ATOM 839 O LYS A 53 166.039 -6.411 0.303 1.00 0.00 O ATOM 840 CB LYS A 53 167.053 -3.551 1.434 1.00 0.00 C ATOM 841 CG LYS A 53 167.483 -3.717 2.884 1.00 0.00 C ATOM 842 CD LYS A 53 166.376 -4.329 3.732 1.00 0.00 C ATOM 843 CE LYS A 53 165.899 -3.365 4.809 1.00 0.00 C ATOM 844 NZ LYS A 53 164.829 -3.959 5.661 1.00 0.00 N ATOM 0 H LYS A 53 168.623 -3.015 -0.408 1.00 0.00 H new ATOM 0 HA LYS A 53 168.199 -5.335 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.367 -2.569 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 53 165.965 -3.576 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 53 168.369 -4.350 2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 53 167.762 -2.747 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 53 165.538 -4.605 3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 53 166.738 -5.246 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 53 166.743 -3.077 5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 53 165.525 -2.455 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 164.534 -3.268 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 164.013 -4.211 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 165.193 -4.813 6.130 1.00 0.00 H new ATOM 858 N SER A 54 166.012 -4.850 -1.325 1.00 0.00 N ATOM 859 CA SER A 54 164.923 -5.483 -2.067 1.00 0.00 C ATOM 860 C SER A 54 165.279 -6.921 -2.449 1.00 0.00 C ATOM 861 O SER A 54 164.443 -7.820 -2.343 1.00 0.00 O ATOM 862 CB SER A 54 164.579 -4.664 -3.318 1.00 0.00 C ATOM 863 OG SER A 54 165.360 -5.060 -4.436 1.00 0.00 O ATOM 0 H SER A 54 166.368 -3.992 -1.747 1.00 0.00 H new ATOM 0 HA SER A 54 164.047 -5.514 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 54 163.521 -4.784 -3.552 1.00 0.00 H new ATOM 0 HB3 SER A 54 164.743 -3.605 -3.116 1.00 0.00 H new ATOM 0 HG SER A 54 166.268 -4.702 -4.344 1.00 0.00 H new ATOM 869 N LYS A 55 166.526 -7.139 -2.876 1.00 0.00 N ATOM 870 CA LYS A 55 166.980 -8.478 -3.251 1.00 0.00 C ATOM 871 C LYS A 55 166.872 -9.419 -2.054 1.00 0.00 C ATOM 872 O LYS A 55 166.303 -10.506 -2.155 1.00 0.00 O ATOM 873 CB LYS A 55 168.426 -8.438 -3.758 1.00 0.00 C ATOM 874 CG LYS A 55 168.541 -8.220 -5.258 1.00 0.00 C ATOM 875 CD LYS A 55 169.993 -8.175 -5.707 1.00 0.00 C ATOM 876 CE LYS A 55 170.111 -7.757 -7.164 1.00 0.00 C ATOM 877 NZ LYS A 55 171.524 -7.491 -7.558 1.00 0.00 N ATOM 0 H LYS A 55 167.234 -6.410 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 55 166.343 -8.846 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.961 -7.641 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.919 -9.374 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 55 168.022 -9.021 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 55 168.046 -7.287 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 55 170.548 -7.476 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 55 170.448 -9.156 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 55 169.699 -8.540 -7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 55 169.513 -6.862 -7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 171.558 -7.209 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 171.910 -6.726 -6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 172.091 -8.352 -7.421 1.00 0.00 H new ATOM 891 N LEU A 56 167.405 -8.979 -0.914 1.00 0.00 N ATOM 892 CA LEU A 56 167.356 -9.764 0.317 1.00 0.00 C ATOM 893 C LEU A 56 165.904 -9.992 0.746 1.00 0.00 C ATOM 894 O LEU A 56 165.566 -11.051 1.278 1.00 0.00 O ATOM 895 CB LEU A 56 168.149 -9.050 1.421 1.00 0.00 C ATOM 896 CG LEU A 56 167.881 -9.520 2.857 1.00 0.00 C ATOM 897 CD1 LEU A 56 169.166 -10.021 3.501 1.00 0.00 C ATOM 898 CD2 LEU A 56 167.277 -8.392 3.683 1.00 0.00 C ATOM 0 H LEU A 56 167.877 -8.080 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 56 167.811 -10.738 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.212 -9.172 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 56 167.933 -7.983 1.363 1.00 0.00 H new ATOM 0 HG LEU A 56 167.167 -10.343 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 56 168.958 -10.351 4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 56 169.561 -10.856 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.900 -9.215 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 56 167.093 -8.743 4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 56 167.968 -7.550 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 56 166.336 -8.075 3.233 1.00 0.00 H new ATOM 910 N GLU A 57 165.048 -8.997 0.494 1.00 0.00 N ATOM 911 CA GLU A 57 163.629 -9.089 0.838 1.00 0.00 C ATOM 912 C GLU A 57 162.948 -10.214 0.058 1.00 0.00 C ATOM 913 O GLU A 57 162.079 -10.909 0.588 1.00 0.00 O ATOM 914 CB GLU A 57 162.921 -7.760 0.555 1.00 0.00 C ATOM 915 CG GLU A 57 163.335 -6.640 1.494 1.00 0.00 C ATOM 916 CD GLU A 57 162.150 -5.933 2.122 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.581 -6.475 3.092 1.00 0.00 O ATOM 918 OE2 GLU A 57 161.791 -4.837 1.643 1.00 0.00 O ATOM 0 H GLU A 57 165.315 -8.118 0.052 1.00 0.00 H new ATOM 0 HA GLU A 57 163.558 -9.312 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.129 -7.458 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.844 -7.908 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 57 163.968 -7.048 2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 57 163.936 -5.915 0.945 1.00 0.00 H new ATOM 925 N ALA A 58 163.351 -10.393 -1.203 1.00 0.00 N ATOM 926 CA ALA A 58 162.783 -11.437 -2.056 1.00 0.00 C ATOM 927 C ALA A 58 163.552 -12.762 -1.935 1.00 0.00 C ATOM 928 O ALA A 58 163.396 -13.652 -2.772 1.00 0.00 O ATOM 929 CB ALA A 58 162.757 -10.971 -3.507 1.00 0.00 C ATOM 0 H ALA A 58 164.069 -9.827 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 58 161.764 -11.621 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 58 162.332 -11.755 -4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 58 162.147 -10.071 -3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.773 -10.753 -3.837 1.00 0.00 H new ATOM 935 N ARG A 59 164.381 -12.888 -0.891 1.00 0.00 N ATOM 936 CA ARG A 59 165.172 -14.101 -0.662 1.00 0.00 C ATOM 937 C ARG A 59 166.160 -14.358 -1.802 1.00 0.00 C ATOM 938 O ARG A 59 166.528 -15.504 -2.067 1.00 0.00 O ATOM 939 CB ARG A 59 164.257 -15.317 -0.473 1.00 0.00 C ATOM 940 CG ARG A 59 163.761 -15.485 0.955 1.00 0.00 C ATOM 941 CD ARG A 59 164.064 -16.873 1.497 1.00 0.00 C ATOM 942 NE ARG A 59 165.497 -17.083 1.721 1.00 0.00 N ATOM 943 CZ ARG A 59 166.027 -18.237 2.142 1.00 0.00 C ATOM 944 NH1 ARG A 59 165.248 -19.284 2.401 1.00 0.00 N ATOM 945 NH2 ARG A 59 167.342 -18.346 2.304 1.00 0.00 N ATOM 0 H ARG A 59 164.521 -12.161 -0.190 1.00 0.00 H new ATOM 0 HA ARG A 59 165.747 -13.944 0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 59 163.399 -15.224 -1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 59 164.795 -16.217 -0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.229 -14.735 1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 59 162.686 -15.308 0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 59 163.527 -17.020 2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 59 163.694 -17.622 0.797 1.00 0.00 H new ATOM 0 HE ARG A 59 166.129 -16.302 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 59 164.238 -19.211 2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 59 165.661 -20.160 2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 59 167.948 -17.549 2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 59 167.745 -19.226 2.625 1.00 0.00 H new ATOM 959 N GLU A 60 166.599 -13.287 -2.463 1.00 0.00 N ATOM 960 CA GLU A 60 167.557 -13.405 -3.561 1.00 0.00 C ATOM 961 C GLU A 60 168.966 -13.641 -3.023 1.00 0.00 C ATOM 962 O GLU A 60 169.745 -14.395 -3.609 1.00 0.00 O ATOM 963 CB GLU A 60 167.537 -12.151 -4.438 1.00 0.00 C ATOM 964 CG GLU A 60 166.234 -11.958 -5.201 1.00 0.00 C ATOM 965 CD GLU A 60 166.448 -11.604 -6.664 1.00 0.00 C ATOM 966 OE1 GLU A 60 167.401 -10.854 -6.965 1.00 0.00 O ATOM 967 OE2 GLU A 60 165.658 -12.075 -7.508 1.00 0.00 O ATOM 0 H GLU A 60 166.308 -12.331 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 60 167.265 -14.261 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 60 167.713 -11.277 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 60 168.360 -12.203 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 60 165.643 -12.872 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 60 165.653 -11.169 -4.723 1.00 0.00 H new ATOM 974 N TYR A 61 169.285 -12.996 -1.901 1.00 0.00 N ATOM 975 CA TYR A 61 170.598 -13.141 -1.281 1.00 0.00 C ATOM 976 C TYR A 61 170.683 -14.438 -0.485 1.00 0.00 C ATOM 977 O TYR A 61 170.189 -14.522 0.641 1.00 0.00 O ATOM 978 CB TYR A 61 170.901 -11.947 -0.372 1.00 0.00 C ATOM 979 CG TYR A 61 171.378 -10.724 -1.123 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.552 -10.756 -1.865 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.654 -9.540 -1.094 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.988 -9.645 -2.558 1.00 0.00 C ATOM 983 CE2 TYR A 61 171.085 -8.424 -1.783 1.00 0.00 C ATOM 984 CZ TYR A 61 172.251 -8.481 -2.513 1.00 0.00 C ATOM 985 OH TYR A 61 172.680 -7.372 -3.202 1.00 0.00 O ATOM 0 H TYR A 61 168.652 -12.369 -1.405 1.00 0.00 H new ATOM 0 HA TYR A 61 171.342 -13.174 -2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 61 170.003 -11.691 0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.660 -12.237 0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 61 173.133 -11.666 -1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.739 -9.491 -0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.902 -9.687 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.510 -7.510 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 61 172.540 -7.509 -4.162 1.00 0.00 H new ATOM 995 N ARG A 62 171.313 -15.449 -1.080 1.00 0.00 N ATOM 996 CA ARG A 62 171.470 -16.746 -0.430 1.00 0.00 C ATOM 997 C ARG A 62 172.350 -16.634 0.814 1.00 0.00 C ATOM 998 O ARG A 62 172.163 -17.373 1.782 1.00 0.00 O ATOM 999 CB ARG A 62 172.074 -17.761 -1.404 1.00 0.00 C ATOM 1000 CG ARG A 62 171.766 -19.208 -1.049 1.00 0.00 C ATOM 1001 CD ARG A 62 172.174 -20.155 -2.167 1.00 0.00 C ATOM 1002 NE ARG A 62 172.675 -21.430 -1.655 1.00 0.00 N ATOM 1003 CZ ARG A 62 173.907 -21.609 -1.171 1.00 0.00 C ATOM 1004 NH1 ARG A 62 174.768 -20.595 -1.127 1.00 0.00 N ATOM 1005 NH2 ARG A 62 174.279 -22.805 -0.730 1.00 0.00 N ATOM 0 H ARG A 62 171.723 -15.394 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 62 170.482 -17.089 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 62 171.701 -17.555 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 62 173.155 -17.625 -1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 62 172.290 -19.478 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 62 170.700 -19.316 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 62 171.318 -20.337 -2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 62 172.943 -19.683 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 62 172.045 -22.232 -1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 62 174.489 -19.674 -1.464 1.00 0.00 H new ATOM 0 HH12 ARG A 62 175.707 -20.739 -0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 62 173.624 -23.586 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 62 175.220 -22.942 -0.360 1.00 0.00 H new ATOM 1019 N ASP A 63 173.310 -15.705 0.783 1.00 0.00 N ATOM 1020 CA ASP A 63 174.216 -15.504 1.911 1.00 0.00 C ATOM 1021 C ASP A 63 174.863 -14.118 1.866 1.00 0.00 C ATOM 1022 O ASP A 63 174.569 -13.310 0.983 1.00 0.00 O ATOM 1023 CB ASP A 63 175.298 -16.591 1.917 1.00 0.00 C ATOM 1024 CG ASP A 63 175.584 -17.122 3.311 1.00 0.00 C ATOM 1025 OD1 ASP A 63 175.566 -16.321 4.271 1.00 0.00 O ATOM 1026 OD2 ASP A 63 175.827 -18.339 3.442 1.00 0.00 O ATOM 0 H ASP A 63 173.477 -15.084 -0.009 1.00 0.00 H new ATOM 0 HA ASP A 63 173.632 -15.572 2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 63 174.984 -17.415 1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 63 176.216 -16.187 1.491 1.00 0.00 H new ATOM 1031 N ALA A 64 175.751 -13.856 2.828 1.00 0.00 N ATOM 1032 CA ALA A 64 176.454 -12.576 2.910 1.00 0.00 C ATOM 1033 C ALA A 64 177.492 -12.425 1.794 1.00 0.00 C ATOM 1034 O ALA A 64 178.003 -11.327 1.565 1.00 0.00 O ATOM 1035 CB ALA A 64 177.120 -12.428 4.272 1.00 0.00 C ATOM 0 H ALA A 64 176.000 -14.517 3.564 1.00 0.00 H new ATOM 0 HA ALA A 64 175.715 -11.785 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.640 -11.471 4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 64 176.362 -12.469 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 64 177.835 -13.238 4.417 1.00 0.00 H new ATOM 1041 N GLN A 65 177.797 -13.525 1.097 1.00 0.00 N ATOM 1042 CA GLN A 65 178.770 -13.497 0.009 1.00 0.00 C ATOM 1043 C GLN A 65 178.292 -12.585 -1.118 1.00 0.00 C ATOM 1044 O GLN A 65 179.046 -11.742 -1.607 1.00 0.00 O ATOM 1045 CB GLN A 65 179.007 -14.912 -0.528 1.00 0.00 C ATOM 1046 CG GLN A 65 180.466 -15.216 -0.828 1.00 0.00 C ATOM 1047 CD GLN A 65 181.170 -15.919 0.319 1.00 0.00 C ATOM 1048 OE1 GLN A 65 180.532 -16.399 1.257 1.00 0.00 O ATOM 1049 NE2 GLN A 65 182.495 -15.984 0.250 1.00 0.00 N ATOM 0 H GLN A 65 177.383 -14.441 1.269 1.00 0.00 H new ATOM 0 HA GLN A 65 179.709 -13.104 0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 65 178.637 -15.634 0.200 1.00 0.00 H new ATOM 0 HB3 GLN A 65 178.422 -15.048 -1.438 1.00 0.00 H new ATOM 0 HG2 GLN A 65 180.526 -15.838 -1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.987 -14.285 -1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 65 182.985 -15.573 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 65 183.022 -16.445 0.992 1.00 0.00 H new ATOM 1058 N GLU A 66 177.031 -12.747 -1.515 1.00 0.00 N ATOM 1059 CA GLU A 66 176.449 -11.927 -2.575 1.00 0.00 C ATOM 1060 C GLU A 66 176.174 -10.510 -2.073 1.00 0.00 C ATOM 1061 O GLU A 66 176.353 -9.537 -2.807 1.00 0.00 O ATOM 1062 CB GLU A 66 175.150 -12.557 -3.086 1.00 0.00 C ATOM 1063 CG GLU A 66 175.361 -13.620 -4.152 1.00 0.00 C ATOM 1064 CD GLU A 66 174.269 -14.676 -4.149 1.00 0.00 C ATOM 1065 OE1 GLU A 66 173.077 -14.302 -4.181 1.00 0.00 O ATOM 1066 OE2 GLU A 66 174.607 -15.878 -4.113 1.00 0.00 O ATOM 0 H GLU A 66 176.394 -13.438 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 66 177.166 -11.875 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 66 174.617 -13.000 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.511 -11.772 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 66 175.398 -13.144 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 66 176.326 -14.101 -3.994 1.00 0.00 H new ATOM 1073 N PHE A 67 175.737 -10.403 -0.816 1.00 0.00 N ATOM 1074 CA PHE A 67 175.434 -9.109 -0.210 1.00 0.00 C ATOM 1075 C PHE A 67 176.677 -8.222 -0.161 1.00 0.00 C ATOM 1076 O PHE A 67 176.653 -7.084 -0.629 1.00 0.00 O ATOM 1077 CB PHE A 67 174.869 -9.298 1.200 1.00 0.00 C ATOM 1078 CG PHE A 67 173.863 -8.251 1.591 1.00 0.00 C ATOM 1079 CD1 PHE A 67 174.271 -6.968 1.923 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.511 -8.550 1.629 1.00 0.00 C ATOM 1081 CE1 PHE A 67 173.349 -6.005 2.284 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.584 -7.590 1.990 1.00 0.00 C ATOM 1083 CZ PHE A 67 172.004 -6.316 2.318 1.00 0.00 C ATOM 0 H PHE A 67 175.585 -11.201 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 67 174.684 -8.616 -0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 67 174.403 -10.281 1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 67 175.691 -9.286 1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 67 175.322 -6.719 1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 67 172.177 -9.545 1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 67 173.680 -5.009 2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 67 170.533 -7.836 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 67 171.282 -5.564 2.601 1.00 0.00 H new ATOM 1093 N GLY A 68 177.761 -8.754 0.409 1.00 0.00 N ATOM 1094 CA GLY A 68 179.002 -8.002 0.507 1.00 0.00 C ATOM 1095 C GLY A 68 179.547 -7.593 -0.850 1.00 0.00 C ATOM 1096 O GLY A 68 180.151 -6.527 -0.986 1.00 0.00 O ATOM 0 H GLY A 68 177.799 -9.693 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.835 -7.110 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.747 -8.604 1.027 1.00 0.00 H new ATOM 1100 N ALA A 69 179.326 -8.442 -1.857 1.00 0.00 N ATOM 1101 CA ALA A 69 179.791 -8.168 -3.217 1.00 0.00 C ATOM 1102 C ALA A 69 179.086 -6.945 -3.804 1.00 0.00 C ATOM 1103 O ALA A 69 179.703 -6.141 -4.504 1.00 0.00 O ATOM 1104 CB ALA A 69 179.574 -9.386 -4.108 1.00 0.00 C ATOM 0 H ALA A 69 178.827 -9.326 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 69 180.858 -7.952 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.925 -9.166 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 69 180.130 -10.234 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.512 -9.630 -4.139 1.00 0.00 H new ATOM 1110 N ASP A 70 177.791 -6.811 -3.511 1.00 0.00 N ATOM 1111 CA ASP A 70 177.000 -5.685 -4.008 1.00 0.00 C ATOM 1112 C ASP A 70 177.389 -4.380 -3.311 1.00 0.00 C ATOM 1113 O ASP A 70 177.360 -3.311 -3.924 1.00 0.00 O ATOM 1114 CB ASP A 70 175.503 -5.955 -3.819 1.00 0.00 C ATOM 1115 CG ASP A 70 174.853 -6.497 -5.077 1.00 0.00 C ATOM 1116 OD1 ASP A 70 174.372 -5.685 -5.895 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.821 -7.734 -5.244 1.00 0.00 O ATOM 0 H ASP A 70 177.268 -7.468 -2.932 1.00 0.00 H new ATOM 0 HA ASP A 70 177.210 -5.578 -5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.364 -6.667 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 70 175.004 -5.032 -3.524 1.00 0.00 H new ATOM 1122 N VAL A 71 177.757 -4.470 -2.032 1.00 0.00 N ATOM 1123 CA VAL A 71 178.152 -3.289 -1.264 1.00 0.00 C ATOM 1124 C VAL A 71 179.410 -2.652 -1.852 1.00 0.00 C ATOM 1125 O VAL A 71 179.457 -1.441 -2.069 1.00 0.00 O ATOM 1126 CB VAL A 71 178.406 -3.623 0.223 1.00 0.00 C ATOM 1127 CG1 VAL A 71 178.687 -2.354 1.015 1.00 0.00 C ATOM 1128 CG2 VAL A 71 177.226 -4.380 0.821 1.00 0.00 C ATOM 0 H VAL A 71 177.790 -5.345 -1.508 1.00 0.00 H new ATOM 0 HA VAL A 71 177.321 -2.587 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 71 179.284 -4.267 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 71 178.863 -2.609 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.569 -1.859 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.830 -1.684 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 71 177.430 -4.603 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 71 176.327 -3.768 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 71 177.076 -5.311 0.274 1.00 0.00 H new ATOM 1138 N ARG A 72 180.425 -3.477 -2.113 1.00 0.00 N ATOM 1139 CA ARG A 72 181.680 -2.991 -2.682 1.00 0.00 C ATOM 1140 C ARG A 72 181.446 -2.356 -4.053 1.00 0.00 C ATOM 1141 O ARG A 72 182.079 -1.357 -4.398 1.00 0.00 O ATOM 1142 CB ARG A 72 182.696 -4.133 -2.791 1.00 0.00 C ATOM 1143 CG ARG A 72 183.360 -4.483 -1.466 1.00 0.00 C ATOM 1144 CD ARG A 72 183.901 -5.906 -1.466 1.00 0.00 C ATOM 1145 NE ARG A 72 185.128 -6.026 -0.675 1.00 0.00 N ATOM 1146 CZ ARG A 72 185.661 -7.189 -0.290 1.00 0.00 C ATOM 1147 NH1 ARG A 72 185.084 -8.342 -0.621 1.00 0.00 N ATOM 1148 NH2 ARG A 72 186.779 -7.199 0.429 1.00 0.00 N ATOM 0 H ARG A 72 180.402 -4.482 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 72 182.082 -2.228 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 72 182.195 -5.018 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 72 183.465 -3.857 -3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 72 184.174 -3.784 -1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 72 182.640 -4.368 -0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 72 183.145 -6.582 -1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 72 184.098 -6.219 -2.491 1.00 0.00 H new ATOM 0 HE ARG A 72 185.606 -5.167 -0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 72 184.227 -8.343 -1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 72 185.499 -9.224 -0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 72 187.228 -6.320 0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 72 187.188 -8.086 0.724 1.00 0.00 H new ATOM 1162 N LEU A 73 180.523 -2.936 -4.826 1.00 0.00 N ATOM 1163 CA LEU A 73 180.196 -2.419 -6.156 1.00 0.00 C ATOM 1164 C LEU A 73 179.646 -0.995 -6.064 1.00 0.00 C ATOM 1165 O LEU A 73 180.038 -0.119 -6.838 1.00 0.00 O ATOM 1166 CB LEU A 73 179.177 -3.334 -6.847 1.00 0.00 C ATOM 1167 CG LEU A 73 178.927 -3.040 -8.330 1.00 0.00 C ATOM 1168 CD1 LEU A 73 179.961 -3.741 -9.200 1.00 0.00 C ATOM 1169 CD2 LEU A 73 177.521 -3.466 -8.727 1.00 0.00 C ATOM 0 H LEU A 73 179.991 -3.762 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 73 181.111 -2.398 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 73 179.517 -4.365 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.229 -3.260 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 73 179.021 -1.965 -8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 73 179.765 -3.519 -10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 73 180.958 -3.389 -8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 73 179.901 -4.818 -9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 73 177.360 -3.250 -9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.402 -4.535 -8.553 1.00 0.00 H new ATOM 0 HD23 LEU A 73 176.792 -2.918 -8.130 1.00 0.00 H new ATOM 1181 N MET A 74 178.740 -0.772 -5.109 1.00 0.00 N ATOM 1182 CA MET A 74 178.136 0.545 -4.908 1.00 0.00 C ATOM 1183 C MET A 74 179.185 1.576 -4.495 1.00 0.00 C ATOM 1184 O MET A 74 179.221 2.680 -5.036 1.00 0.00 O ATOM 1185 CB MET A 74 177.034 0.474 -3.847 1.00 0.00 C ATOM 1186 CG MET A 74 176.305 1.793 -3.631 1.00 0.00 C ATOM 1187 SD MET A 74 176.355 2.345 -1.914 1.00 0.00 S ATOM 1188 CE MET A 74 174.903 1.532 -1.252 1.00 0.00 C ATOM 0 H MET A 74 178.409 -1.488 -4.463 1.00 0.00 H new ATOM 0 HA MET A 74 177.699 0.857 -5.857 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.310 -0.287 -4.138 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.472 0.152 -2.902 1.00 0.00 H new ATOM 0 HG2 MET A 74 176.751 2.558 -4.267 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.266 1.684 -3.943 1.00 0.00 H new ATOM 0 HE1 MET A 74 174.799 1.778 -0.195 1.00 0.00 H new ATOM 0 HE2 MET A 74 174.019 1.870 -1.792 1.00 0.00 H new ATOM 0 HE3 MET A 74 175.007 0.453 -1.365 1.00 0.00 H new ATOM 1198 N PHE A 75 180.034 1.210 -3.532 1.00 0.00 N ATOM 1199 CA PHE A 75 181.081 2.109 -3.049 1.00 0.00 C ATOM 1200 C PHE A 75 182.009 2.535 -4.185 1.00 0.00 C ATOM 1201 O PHE A 75 182.360 3.709 -4.297 1.00 0.00 O ATOM 1202 CB PHE A 75 181.890 1.443 -1.933 1.00 0.00 C ATOM 1203 CG PHE A 75 181.338 1.700 -0.559 1.00 0.00 C ATOM 1204 CD1 PHE A 75 181.522 2.928 0.059 1.00 0.00 C ATOM 1205 CD2 PHE A 75 180.631 0.716 0.112 1.00 0.00 C ATOM 1206 CE1 PHE A 75 181.012 3.167 1.320 1.00 0.00 C ATOM 1207 CE2 PHE A 75 180.119 0.950 1.374 1.00 0.00 C ATOM 1208 CZ PHE A 75 180.309 2.177 1.979 1.00 0.00 C ATOM 0 H PHE A 75 180.016 0.299 -3.073 1.00 0.00 H new ATOM 0 HA PHE A 75 180.596 3.000 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.920 0.368 -2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.918 1.802 -1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 75 182.070 3.706 -0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 75 180.478 -0.245 -0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 75 181.163 4.127 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 75 179.571 0.174 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 75 179.909 2.362 2.965 1.00 0.00 H new ATOM 1218 N SER A 76 182.401 1.576 -5.027 1.00 0.00 N ATOM 1219 CA SER A 76 183.287 1.860 -6.155 1.00 0.00 C ATOM 1220 C SER A 76 182.652 2.870 -7.111 1.00 0.00 C ATOM 1221 O SER A 76 183.320 3.792 -7.582 1.00 0.00 O ATOM 1222 CB SER A 76 183.631 0.573 -6.911 1.00 0.00 C ATOM 1223 OG SER A 76 184.907 0.665 -7.521 1.00 0.00 O ATOM 0 H SER A 76 182.119 0.599 -4.948 1.00 0.00 H new ATOM 0 HA SER A 76 184.205 2.291 -5.755 1.00 0.00 H new ATOM 0 HB2 SER A 76 183.614 -0.272 -6.223 1.00 0.00 H new ATOM 0 HB3 SER A 76 182.874 0.381 -7.671 1.00 0.00 H new ATOM 0 HG SER A 76 185.104 -0.170 -7.996 1.00 0.00 H new ATOM 1229 N ASN A 77 181.361 2.690 -7.395 1.00 0.00 N ATOM 1230 CA ASN A 77 180.642 3.589 -8.296 1.00 0.00 C ATOM 1231 C ASN A 77 180.366 4.933 -7.627 1.00 0.00 C ATOM 1232 O ASN A 77 180.594 5.988 -8.222 1.00 0.00 O ATOM 1233 CB ASN A 77 179.325 2.954 -8.752 1.00 0.00 C ATOM 1234 CG ASN A 77 179.526 1.945 -9.868 1.00 0.00 C ATOM 1235 OD1 ASN A 77 179.122 2.310 -11.081 1.00 0.00 O flip ATOM 1236 ND2 ASN A 77 180.041 0.850 -9.643 1.00 0.00 N flip ATOM 0 H ASN A 77 180.794 1.932 -7.015 1.00 0.00 H new ATOM 0 HA ASN A 77 181.274 3.761 -9.167 1.00 0.00 H new ATOM 0 HB2 ASN A 77 178.848 2.463 -7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 77 178.646 3.736 -9.091 1.00 0.00 H new ATOM 0 HD21 ASN A 77 180.337 0.610 -8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 77 180.172 0.182 -10.403 1.00 0.00 H new ATOM 1243 N CYS A 78 179.876 4.889 -6.387 1.00 0.00 N ATOM 1244 CA CYS A 78 179.571 6.106 -5.635 1.00 0.00 C ATOM 1245 C CYS A 78 180.818 6.968 -5.448 1.00 0.00 C ATOM 1246 O CYS A 78 180.733 8.195 -5.440 1.00 0.00 O ATOM 1247 CB CYS A 78 178.967 5.761 -4.272 1.00 0.00 C ATOM 1248 SG CYS A 78 177.623 6.859 -3.762 1.00 0.00 S ATOM 0 H CYS A 78 179.682 4.024 -5.883 1.00 0.00 H new ATOM 0 HA CYS A 78 178.843 6.676 -6.212 1.00 0.00 H new ATOM 0 HB2 CYS A 78 178.595 4.737 -4.300 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.754 5.793 -3.519 1.00 0.00 H new ATOM 0 HG CYS A 78 177.458 6.774 -2.475 1.00 0.00 H new ATOM 1254 N TYR A 79 181.975 6.320 -5.303 1.00 0.00 N ATOM 1255 CA TYR A 79 183.239 7.032 -5.123 1.00 0.00 C ATOM 1256 C TYR A 79 183.497 7.995 -6.285 1.00 0.00 C ATOM 1257 O TYR A 79 184.036 9.083 -6.087 1.00 0.00 O ATOM 1258 CB TYR A 79 184.398 6.039 -4.996 1.00 0.00 C ATOM 1259 CG TYR A 79 185.656 6.636 -4.400 1.00 0.00 C ATOM 1260 CD1 TYR A 79 185.679 7.094 -3.087 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.821 6.738 -5.150 1.00 0.00 C ATOM 1262 CE1 TYR A 79 186.828 7.635 -2.541 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.972 7.278 -4.611 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.971 7.725 -3.307 1.00 0.00 C ATOM 1265 OH TYR A 79 189.116 8.261 -2.765 1.00 0.00 O ATOM 0 H TYR A 79 182.062 5.304 -5.307 1.00 0.00 H new ATOM 0 HA TYR A 79 183.169 7.614 -4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.078 5.200 -4.378 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.630 5.638 -5.983 1.00 0.00 H new ATOM 0 HD1 TYR A 79 184.785 7.026 -2.485 1.00 0.00 H new ATOM 0 HD2 TYR A 79 186.827 6.389 -6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 79 186.830 7.985 -1.519 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.869 7.350 -5.208 1.00 0.00 H new ATOM 0 HH TYR A 79 189.831 8.251 -3.435 1.00 0.00 H new ATOM 1275 N LYS A 80 183.099 7.592 -7.494 1.00 0.00 N ATOM 1276 CA LYS A 80 183.279 8.428 -8.680 1.00 0.00 C ATOM 1277 C LYS A 80 182.414 9.687 -8.595 1.00 0.00 C ATOM 1278 O LYS A 80 182.864 10.781 -8.936 1.00 0.00 O ATOM 1279 CB LYS A 80 182.940 7.638 -9.950 1.00 0.00 C ATOM 1280 CG LYS A 80 183.219 8.396 -11.241 1.00 0.00 C ATOM 1281 CD LYS A 80 183.056 7.500 -12.461 1.00 0.00 C ATOM 1282 CE LYS A 80 183.014 8.307 -13.752 1.00 0.00 C ATOM 1283 NZ LYS A 80 184.311 8.256 -14.487 1.00 0.00 N ATOM 0 H LYS A 80 182.651 6.694 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 80 184.325 8.732 -8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 80 183.513 6.711 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 80 181.886 7.361 -9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 80 182.541 9.246 -11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 80 184.232 8.798 -11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 80 183.881 6.789 -12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 80 182.139 6.919 -12.365 1.00 0.00 H new ATOM 0 HE2 LYS A 80 182.219 7.925 -14.393 1.00 0.00 H new ATOM 0 HE3 LYS A 80 182.768 9.344 -13.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 184.238 8.818 -15.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 185.066 8.645 -13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 184.534 7.269 -14.729 1.00 0.00 H new ATOM 1297 N TYR A 81 181.172 9.523 -8.135 1.00 0.00 N ATOM 1298 CA TYR A 81 180.245 10.647 -8.000 1.00 0.00 C ATOM 1299 C TYR A 81 180.584 11.504 -6.776 1.00 0.00 C ATOM 1300 O TYR A 81 180.354 12.713 -6.779 1.00 0.00 O ATOM 1301 CB TYR A 81 178.802 10.138 -7.898 1.00 0.00 C ATOM 1302 CG TYR A 81 177.760 11.139 -8.359 1.00 0.00 C ATOM 1303 CD1 TYR A 81 177.467 12.267 -7.601 1.00 0.00 C ATOM 1304 CD2 TYR A 81 177.067 10.953 -9.551 1.00 0.00 C ATOM 1305 CE1 TYR A 81 176.515 13.179 -8.016 1.00 0.00 C ATOM 1306 CE2 TYR A 81 176.114 11.861 -9.972 1.00 0.00 C ATOM 1307 CZ TYR A 81 175.842 12.972 -9.201 1.00 0.00 C ATOM 1308 OH TYR A 81 174.893 13.877 -9.617 1.00 0.00 O ATOM 0 H TYR A 81 180.786 8.623 -7.850 1.00 0.00 H new ATOM 0 HA TYR A 81 180.344 11.269 -8.889 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.705 9.229 -8.492 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.596 9.866 -6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.992 12.433 -6.672 1.00 0.00 H new ATOM 0 HD2 TYR A 81 177.277 10.084 -10.157 1.00 0.00 H new ATOM 0 HE1 TYR A 81 176.299 14.050 -7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 81 175.585 11.702 -10.900 1.00 0.00 H new ATOM 0 HH TYR A 81 174.514 13.584 -10.472 1.00 0.00 H new ATOM 1318 N ASN A 82 181.125 10.871 -5.731 1.00 0.00 N ATOM 1319 CA ASN A 82 181.489 11.577 -4.501 1.00 0.00 C ATOM 1320 C ASN A 82 182.945 12.049 -4.542 1.00 0.00 C ATOM 1321 O ASN A 82 183.865 11.255 -4.338 1.00 0.00 O ATOM 1322 CB ASN A 82 181.274 10.666 -3.285 1.00 0.00 C ATOM 1323 CG ASN A 82 180.208 11.186 -2.336 1.00 0.00 C ATOM 1324 OD1 ASN A 82 179.451 12.097 -2.669 1.00 0.00 O ATOM 1325 ND2 ASN A 82 180.144 10.604 -1.142 1.00 0.00 N ATOM 0 H ASN A 82 181.320 9.870 -5.713 1.00 0.00 H new ATOM 0 HA ASN A 82 180.847 12.454 -4.416 1.00 0.00 H new ATOM 0 HB2 ASN A 82 180.993 9.671 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 82 182.215 10.562 -2.744 1.00 0.00 H new ATOM 0 HD21 ASN A 82 179.448 10.910 -0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 82 180.791 9.852 -0.906 1.00 0.00 H new ATOM 1332 N PRO A 83 183.177 13.354 -4.799 1.00 0.00 N ATOM 1333 CA PRO A 83 184.533 13.922 -4.857 1.00 0.00 C ATOM 1334 C PRO A 83 185.206 13.956 -3.483 1.00 0.00 C ATOM 1335 O PRO A 83 184.596 14.379 -2.501 1.00 0.00 O ATOM 1336 CB PRO A 83 184.301 15.345 -5.373 1.00 0.00 C ATOM 1337 CG PRO A 83 182.906 15.671 -4.969 1.00 0.00 C ATOM 1338 CD PRO A 83 182.143 14.378 -5.048 1.00 0.00 C ATOM 0 HA PRO A 83 185.197 13.329 -5.486 1.00 0.00 H new ATOM 0 HB2 PRO A 83 185.013 16.045 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 83 184.423 15.399 -6.455 1.00 0.00 H new ATOM 0 HG2 PRO A 83 182.877 16.081 -3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 83 182.473 16.422 -5.630 1.00 0.00 H new ATOM 0 HD2 PRO A 83 181.348 14.335 -4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 83 181.675 14.247 -6.023 1.00 0.00 H new ATOM 1346 N PRO A 84 186.479 13.512 -3.396 1.00 0.00 N ATOM 1347 CA PRO A 84 187.231 13.495 -2.131 1.00 0.00 C ATOM 1348 C PRO A 84 187.331 14.878 -1.486 1.00 0.00 C ATOM 1349 O PRO A 84 187.052 15.893 -2.127 1.00 0.00 O ATOM 1350 CB PRO A 84 188.624 12.990 -2.535 1.00 0.00 C ATOM 1351 CG PRO A 84 188.691 13.160 -4.015 1.00 0.00 C ATOM 1352 CD PRO A 84 187.285 12.993 -4.513 1.00 0.00 C ATOM 0 HA PRO A 84 186.740 12.870 -1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 84 189.409 13.560 -2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.761 11.946 -2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 84 189.084 14.142 -4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 84 189.354 12.420 -4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 84 187.112 13.554 -5.431 1.00 0.00 H new ATOM 0 HD3 PRO A 84 187.053 11.950 -4.728 1.00 0.00 H new ATOM 1360 N ASP A 85 187.724 14.904 -0.209 1.00 0.00 N ATOM 1361 CA ASP A 85 187.856 16.155 0.541 1.00 0.00 C ATOM 1362 C ASP A 85 186.490 16.820 0.746 1.00 0.00 C ATOM 1363 O ASP A 85 186.386 18.047 0.810 1.00 0.00 O ATOM 1364 CB ASP A 85 188.811 17.117 -0.179 1.00 0.00 C ATOM 1365 CG ASP A 85 189.773 17.799 0.774 1.00 0.00 C ATOM 1366 OD1 ASP A 85 190.816 17.193 1.101 1.00 0.00 O ATOM 1367 OD2 ASP A 85 189.486 18.940 1.195 1.00 0.00 O ATOM 0 H ASP A 85 187.957 14.069 0.328 1.00 0.00 H new ATOM 0 HA ASP A 85 188.271 15.917 1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 85 189.377 16.567 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 85 188.230 17.873 -0.707 1.00 0.00 H new ATOM 1372 N HIS A 86 185.442 15.999 0.848 1.00 0.00 N ATOM 1373 CA HIS A 86 184.085 16.499 1.041 1.00 0.00 C ATOM 1374 C HIS A 86 183.422 15.828 2.240 1.00 0.00 C ATOM 1375 O HIS A 86 183.615 14.634 2.477 1.00 0.00 O ATOM 1376 CB HIS A 86 183.251 16.242 -0.217 1.00 0.00 C ATOM 1377 CG HIS A 86 182.256 17.322 -0.516 1.00 0.00 C ATOM 1378 ND1 HIS A 86 182.215 17.996 -1.718 1.00 0.00 N ATOM 1379 CD2 HIS A 86 181.255 17.839 0.236 1.00 0.00 C ATOM 1380 CE1 HIS A 86 181.233 18.879 -1.694 1.00 0.00 C ATOM 1381 NE2 HIS A 86 180.636 18.803 -0.519 1.00 0.00 N ATOM 0 H HIS A 86 185.511 14.982 0.800 1.00 0.00 H new ATOM 0 HA HIS A 86 184.141 17.571 1.230 1.00 0.00 H new ATOM 0 HB2 HIS A 86 183.921 16.133 -1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 86 182.722 15.296 -0.104 1.00 0.00 H new ATOM 0 HD2 HIS A 86 180.993 17.547 1.242 1.00 0.00 H new ATOM 0 HE1 HIS A 86 180.964 19.548 -2.498 1.00 0.00 H new ATOM 0 HE2 HIS A 86 179.842 19.370 -0.220 1.00 0.00 H new ATOM 1390 N GLU A 87 182.631 16.601 2.988 1.00 0.00 N ATOM 1391 CA GLU A 87 181.927 16.078 4.160 1.00 0.00 C ATOM 1392 C GLU A 87 181.042 14.886 3.785 1.00 0.00 C ATOM 1393 O GLU A 87 180.931 13.925 4.546 1.00 0.00 O ATOM 1394 CB GLU A 87 181.079 17.176 4.808 1.00 0.00 C ATOM 1395 CG GLU A 87 181.811 17.946 5.896 1.00 0.00 C ATOM 1396 CD GLU A 87 181.050 19.172 6.366 1.00 0.00 C ATOM 1397 OE1 GLU A 87 179.852 19.040 6.696 1.00 0.00 O ATOM 1398 OE2 GLU A 87 181.653 20.264 6.405 1.00 0.00 O ATOM 0 H GLU A 87 182.462 17.590 2.803 1.00 0.00 H new ATOM 0 HA GLU A 87 182.675 15.738 4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 87 180.752 17.874 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 87 180.181 16.727 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 87 181.987 17.286 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 87 182.788 18.252 5.523 1.00 0.00 H new ATOM 1405 N VAL A 88 180.420 14.955 2.604 1.00 0.00 N ATOM 1406 CA VAL A 88 179.548 13.880 2.126 1.00 0.00 C ATOM 1407 C VAL A 88 180.320 12.568 1.957 1.00 0.00 C ATOM 1408 O VAL A 88 179.817 11.495 2.292 1.00 0.00 O ATOM 1409 CB VAL A 88 178.866 14.251 0.787 1.00 0.00 C ATOM 1410 CG1 VAL A 88 179.899 14.496 -0.306 1.00 0.00 C ATOM 1411 CG2 VAL A 88 177.882 13.167 0.366 1.00 0.00 C ATOM 0 H VAL A 88 180.505 15.744 1.963 1.00 0.00 H new ATOM 0 HA VAL A 88 178.778 13.743 2.885 1.00 0.00 H new ATOM 0 HB VAL A 88 178.312 15.178 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 88 179.391 14.755 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 88 180.554 15.315 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 88 180.492 13.593 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 88 177.414 13.447 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 88 178.412 12.223 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 88 177.115 13.054 1.132 1.00 0.00 H new ATOM 1421 N VAL A 89 181.547 12.662 1.443 1.00 0.00 N ATOM 1422 CA VAL A 89 182.384 11.484 1.240 1.00 0.00 C ATOM 1423 C VAL A 89 182.795 10.873 2.578 1.00 0.00 C ATOM 1424 O VAL A 89 182.815 9.650 2.730 1.00 0.00 O ATOM 1425 CB VAL A 89 183.643 11.809 0.408 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.405 10.538 0.065 1.00 0.00 C ATOM 1427 CG2 VAL A 89 183.264 12.562 -0.859 1.00 0.00 C ATOM 0 H VAL A 89 181.981 13.541 1.161 1.00 0.00 H new ATOM 0 HA VAL A 89 181.787 10.762 0.683 1.00 0.00 H new ATOM 0 HB VAL A 89 184.294 12.446 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 89 185.288 10.790 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.710 10.038 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 89 183.763 9.874 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 89 184.163 12.783 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.592 11.949 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 89 182.765 13.494 -0.593 1.00 0.00 H new ATOM 1437 N ALA A 90 183.113 11.732 3.551 1.00 0.00 N ATOM 1438 CA ALA A 90 183.510 11.272 4.881 1.00 0.00 C ATOM 1439 C ALA A 90 182.433 10.375 5.489 1.00 0.00 C ATOM 1440 O ALA A 90 182.744 9.420 6.204 1.00 0.00 O ATOM 1441 CB ALA A 90 183.788 12.458 5.796 1.00 0.00 C ATOM 0 H ALA A 90 183.103 12.746 3.441 1.00 0.00 H new ATOM 0 HA ALA A 90 184.425 10.689 4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 90 184.082 12.096 6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 90 184.593 13.061 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 90 182.888 13.066 5.887 1.00 0.00 H new ATOM 1447 N MET A 91 181.167 10.679 5.189 1.00 0.00 N ATOM 1448 CA MET A 91 180.048 9.889 5.696 1.00 0.00 C ATOM 1449 C MET A 91 180.124 8.458 5.168 1.00 0.00 C ATOM 1450 O MET A 91 179.991 7.499 5.929 1.00 0.00 O ATOM 1451 CB MET A 91 178.712 10.522 5.294 1.00 0.00 C ATOM 1452 CG MET A 91 178.185 11.531 6.302 1.00 0.00 C ATOM 1453 SD MET A 91 177.550 13.026 5.518 1.00 0.00 S ATOM 1454 CE MET A 91 178.369 14.290 6.487 1.00 0.00 C ATOM 0 H MET A 91 180.895 11.465 4.599 1.00 0.00 H new ATOM 0 HA MET A 91 180.112 9.870 6.784 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.829 11.014 4.328 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.972 9.733 5.162 1.00 0.00 H new ATOM 0 HG2 MET A 91 177.393 11.070 6.892 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.983 11.799 6.994 1.00 0.00 H new ATOM 0 HE1 MET A 91 178.297 15.248 5.971 1.00 0.00 H new ATOM 0 HE2 MET A 91 177.891 14.367 7.464 1.00 0.00 H new ATOM 0 HE3 MET A 91 179.419 14.026 6.617 1.00 0.00 H new ATOM 1464 N ALA A 92 180.349 8.324 3.857 1.00 0.00 N ATOM 1465 CA ALA A 92 180.453 7.012 3.222 1.00 0.00 C ATOM 1466 C ALA A 92 181.627 6.222 3.794 1.00 0.00 C ATOM 1467 O ALA A 92 181.494 5.037 4.100 1.00 0.00 O ATOM 1468 CB ALA A 92 180.597 7.158 1.713 1.00 0.00 C ATOM 0 H ALA A 92 180.462 9.110 3.217 1.00 0.00 H new ATOM 0 HA ALA A 92 179.536 6.461 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.673 6.171 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.725 7.676 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 92 181.496 7.732 1.487 1.00 0.00 H new ATOM 1474 N ARG A 93 182.776 6.888 3.945 1.00 0.00 N ATOM 1475 CA ARG A 93 183.969 6.245 4.493 1.00 0.00 C ATOM 1476 C ARG A 93 183.687 5.696 5.891 1.00 0.00 C ATOM 1477 O ARG A 93 184.083 4.577 6.217 1.00 0.00 O ATOM 1478 CB ARG A 93 185.144 7.230 4.540 1.00 0.00 C ATOM 1479 CG ARG A 93 186.165 7.018 3.430 1.00 0.00 C ATOM 1480 CD ARG A 93 186.476 8.314 2.695 1.00 0.00 C ATOM 1481 NE ARG A 93 187.916 8.522 2.529 1.00 0.00 N ATOM 1482 CZ ARG A 93 188.720 8.987 3.490 1.00 0.00 C ATOM 1483 NH1 ARG A 93 188.233 9.285 4.693 1.00 0.00 N ATOM 1484 NH2 ARG A 93 190.015 9.150 3.249 1.00 0.00 N ATOM 0 H ARG A 93 182.903 7.869 3.696 1.00 0.00 H new ATOM 0 HA ARG A 93 184.238 5.416 3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 93 184.757 8.247 4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.644 7.139 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 93 187.083 6.611 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 93 185.785 6.281 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 93 185.997 8.299 1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 93 186.050 9.153 3.245 1.00 0.00 H new ATOM 0 HE ARG A 93 188.331 8.298 1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 93 187.240 9.159 4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 93 188.853 9.639 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 93 190.396 8.920 2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 93 190.629 9.505 3.982 1.00 0.00 H new ATOM 1498 N LYS A 94 182.985 6.487 6.706 1.00 0.00 N ATOM 1499 CA LYS A 94 182.635 6.074 8.063 1.00 0.00 C ATOM 1500 C LYS A 94 181.662 4.895 8.032 1.00 0.00 C ATOM 1501 O LYS A 94 181.799 3.947 8.807 1.00 0.00 O ATOM 1502 CB LYS A 94 182.019 7.243 8.840 1.00 0.00 C ATOM 1503 CG LYS A 94 182.198 7.139 10.349 1.00 0.00 C ATOM 1504 CD LYS A 94 182.233 8.513 11.005 1.00 0.00 C ATOM 1505 CE LYS A 94 181.561 8.502 12.372 1.00 0.00 C ATOM 1506 NZ LYS A 94 182.553 8.498 13.485 1.00 0.00 N ATOM 0 H LYS A 94 182.649 7.415 6.448 1.00 0.00 H new ATOM 0 HA LYS A 94 183.548 5.760 8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 94 182.467 8.174 8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.954 7.298 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 94 181.383 6.553 10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 94 183.122 6.606 10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 94 183.268 8.840 11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 94 181.735 9.237 10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 94 180.916 9.376 12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 94 180.921 7.623 12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 182.052 8.490 14.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 183.153 7.651 13.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 183.147 9.349 13.424 1.00 0.00 H new ATOM 1520 N LEU A 95 180.682 4.958 7.124 1.00 0.00 N ATOM 1521 CA LEU A 95 179.687 3.893 6.983 1.00 0.00 C ATOM 1522 C LEU A 95 180.343 2.588 6.526 1.00 0.00 C ATOM 1523 O LEU A 95 179.944 1.502 6.950 1.00 0.00 O ATOM 1524 CB LEU A 95 178.596 4.300 5.987 1.00 0.00 C ATOM 1525 CG LEU A 95 177.682 5.441 6.446 1.00 0.00 C ATOM 1526 CD1 LEU A 95 177.124 6.193 5.246 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.552 4.906 7.315 1.00 0.00 C ATOM 0 H LEU A 95 180.558 5.736 6.476 1.00 0.00 H new ATOM 0 HA LEU A 95 179.233 3.732 7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 95 179.072 4.592 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 95 177.980 3.427 5.772 1.00 0.00 H new ATOM 0 HG LEU A 95 178.273 6.136 7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 95 176.477 7.000 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 95 177.946 6.610 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.549 5.508 4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.914 5.731 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 95 175.962 4.189 6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 95 176.970 4.414 8.193 1.00 0.00 H new ATOM 1539 N GLN A 96 181.352 2.702 5.660 1.00 0.00 N ATOM 1540 CA GLN A 96 182.065 1.533 5.150 1.00 0.00 C ATOM 1541 C GLN A 96 182.909 0.889 6.247 1.00 0.00 C ATOM 1542 O GLN A 96 182.882 -0.328 6.424 1.00 0.00 O ATOM 1543 CB GLN A 96 182.962 1.926 3.972 1.00 0.00 C ATOM 1544 CG GLN A 96 183.349 0.756 3.079 1.00 0.00 C ATOM 1545 CD GLN A 96 184.834 0.726 2.760 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.510 -0.273 3.004 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.349 1.821 2.211 1.00 0.00 N ATOM 0 H GLN A 96 181.693 3.593 5.298 1.00 0.00 H new ATOM 0 HA GLN A 96 181.324 0.810 4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.448 2.676 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.869 2.393 4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 96 183.068 -0.177 3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 96 182.783 0.812 2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 96 184.753 2.627 2.025 1.00 0.00 H new ATOM 0 HE22 GLN A 96 186.341 1.855 1.975 1.00 0.00 H new ATOM 1556 N ASP A 97 183.657 1.717 6.979 1.00 0.00 N ATOM 1557 CA ASP A 97 184.515 1.234 8.060 1.00 0.00 C ATOM 1558 C ASP A 97 183.700 0.530 9.143 1.00 0.00 C ATOM 1559 O ASP A 97 184.064 -0.560 9.587 1.00 0.00 O ATOM 1560 CB ASP A 97 185.301 2.399 8.670 1.00 0.00 C ATOM 1561 CG ASP A 97 186.690 1.991 9.122 1.00 0.00 C ATOM 1562 OD1 ASP A 97 186.836 1.575 10.290 1.00 0.00 O ATOM 1563 OD2 ASP A 97 187.631 2.089 8.307 1.00 0.00 O ATOM 0 H ASP A 97 183.685 2.727 6.841 1.00 0.00 H new ATOM 0 HA ASP A 97 185.212 0.511 7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.382 3.201 7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.749 2.799 9.520 1.00 0.00 H new ATOM 1568 N VAL A 98 182.594 1.150 9.563 1.00 0.00 N ATOM 1569 CA VAL A 98 181.736 0.562 10.590 1.00 0.00 C ATOM 1570 C VAL A 98 181.147 -0.766 10.110 1.00 0.00 C ATOM 1571 O VAL A 98 181.112 -1.743 10.861 1.00 0.00 O ATOM 1572 CB VAL A 98 180.599 1.519 11.028 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.687 1.873 9.862 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.801 0.911 12.176 1.00 0.00 C ATOM 0 H VAL A 98 182.275 2.052 9.210 1.00 0.00 H new ATOM 0 HA VAL A 98 182.367 0.382 11.460 1.00 0.00 H new ATOM 0 HB VAL A 98 181.058 2.444 11.377 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.901 2.546 10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 98 180.268 2.363 9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 98 179.237 0.964 9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 98 179.007 1.597 12.470 1.00 0.00 H new ATOM 0 HG22 VAL A 98 179.363 -0.034 11.854 1.00 0.00 H new ATOM 0 HG23 VAL A 98 180.461 0.735 13.025 1.00 0.00 H new ATOM 1584 N PHE A 99 180.697 -0.799 8.853 1.00 0.00 N ATOM 1585 CA PHE A 99 180.128 -2.015 8.276 1.00 0.00 C ATOM 1586 C PHE A 99 181.193 -3.104 8.173 1.00 0.00 C ATOM 1587 O PHE A 99 180.972 -4.237 8.598 1.00 0.00 O ATOM 1588 CB PHE A 99 179.531 -1.733 6.891 1.00 0.00 C ATOM 1589 CG PHE A 99 178.227 -2.443 6.635 1.00 0.00 C ATOM 1590 CD1 PHE A 99 178.122 -3.816 6.802 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.105 -1.735 6.231 1.00 0.00 C ATOM 1592 CE1 PHE A 99 176.925 -4.467 6.570 1.00 0.00 C ATOM 1593 CE2 PHE A 99 175.905 -2.382 5.999 1.00 0.00 C ATOM 1594 CZ PHE A 99 175.815 -3.749 6.169 1.00 0.00 C ATOM 0 H PHE A 99 180.716 -0.000 8.219 1.00 0.00 H new ATOM 0 HA PHE A 99 179.330 -2.361 8.933 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.376 -0.659 6.784 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.251 -2.029 6.128 1.00 0.00 H new ATOM 0 HD1 PHE A 99 178.986 -4.383 7.117 1.00 0.00 H new ATOM 0 HD2 PHE A 99 177.169 -0.665 6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 99 176.857 -5.537 6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 99 175.039 -1.818 5.685 1.00 0.00 H new ATOM 0 HZ PHE A 99 174.879 -4.256 5.989 1.00 0.00 H new ATOM 1604 N GLU A 100 182.353 -2.750 7.613 1.00 0.00 N ATOM 1605 CA GLU A 100 183.455 -3.698 7.461 1.00 0.00 C ATOM 1606 C GLU A 100 183.915 -4.223 8.819 1.00 0.00 C ATOM 1607 O GLU A 100 184.183 -5.415 8.969 1.00 0.00 O ATOM 1608 CB GLU A 100 184.624 -3.047 6.714 1.00 0.00 C ATOM 1609 CG GLU A 100 185.037 -3.808 5.466 1.00 0.00 C ATOM 1610 CD GLU A 100 185.737 -5.115 5.784 1.00 0.00 C ATOM 1611 OE1 GLU A 100 185.059 -6.050 6.260 1.00 0.00 O ATOM 1612 OE2 GLU A 100 186.962 -5.206 5.558 1.00 0.00 O ATOM 0 H GLU A 100 182.551 -1.814 7.258 1.00 0.00 H new ATOM 0 HA GLU A 100 183.096 -4.544 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.347 -2.030 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.479 -2.973 7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.154 -4.011 4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.698 -3.183 4.866 1.00 0.00 H new ATOM 1619 N MET A 101 183.990 -3.330 9.807 1.00 0.00 N ATOM 1620 CA MET A 101 184.401 -3.708 11.156 1.00 0.00 C ATOM 1621 C MET A 101 183.429 -4.731 11.743 1.00 0.00 C ATOM 1622 O MET A 101 183.847 -5.759 12.277 1.00 0.00 O ATOM 1623 CB MET A 101 184.473 -2.473 12.061 1.00 0.00 C ATOM 1624 CG MET A 101 185.843 -1.812 12.084 1.00 0.00 C ATOM 1625 SD MET A 101 186.280 -1.179 13.716 1.00 0.00 S ATOM 1626 CE MET A 101 186.060 0.583 13.475 1.00 0.00 C ATOM 0 H MET A 101 183.771 -2.340 9.696 1.00 0.00 H new ATOM 0 HA MET A 101 185.392 -4.158 11.098 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.734 -1.745 11.727 1.00 0.00 H new ATOM 0 HB3 MET A 101 184.201 -2.761 13.076 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.596 -2.533 11.764 1.00 0.00 H new ATOM 0 HG3 MET A 101 185.860 -0.993 11.364 1.00 0.00 H new ATOM 0 HE1 MET A 101 186.172 1.098 14.429 1.00 0.00 H new ATOM 0 HE2 MET A 101 186.809 0.951 12.774 1.00 0.00 H new ATOM 0 HE3 MET A 101 185.064 0.774 13.075 1.00 0.00 H new ATOM 1636 N ARG A 102 182.130 -4.446 11.625 1.00 0.00 N ATOM 1637 CA ARG A 102 181.095 -5.345 12.132 1.00 0.00 C ATOM 1638 C ARG A 102 181.074 -6.648 11.332 1.00 0.00 C ATOM 1639 O ARG A 102 180.983 -7.731 11.906 1.00 0.00 O ATOM 1640 CB ARG A 102 179.720 -4.668 12.078 1.00 0.00 C ATOM 1641 CG ARG A 102 179.093 -4.444 13.448 1.00 0.00 C ATOM 1642 CD ARG A 102 179.139 -2.977 13.854 1.00 0.00 C ATOM 1643 NE ARG A 102 180.406 -2.622 14.495 1.00 0.00 N ATOM 1644 CZ ARG A 102 180.577 -1.549 15.276 1.00 0.00 C ATOM 1645 NH1 ARG A 102 179.565 -0.719 15.517 1.00 0.00 N ATOM 1646 NH2 ARG A 102 181.767 -1.304 15.814 1.00 0.00 N ATOM 0 H ARG A 102 181.772 -3.600 11.183 1.00 0.00 H new ATOM 0 HA ARG A 102 181.327 -5.580 13.171 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.817 -3.708 11.572 1.00 0.00 H new ATOM 0 HB3 ARG A 102 179.047 -5.279 11.476 1.00 0.00 H new ATOM 0 HG2 ARG A 102 178.058 -4.786 13.435 1.00 0.00 H new ATOM 0 HG3 ARG A 102 179.618 -5.044 14.191 1.00 0.00 H new ATOM 0 HD2 ARG A 102 178.992 -2.353 12.973 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.316 -2.764 14.536 1.00 0.00 H new ATOM 0 HE ARG A 102 181.209 -3.231 14.336 1.00 0.00 H new ATOM 0 HH11 ARG A 102 178.649 -0.898 15.105 1.00 0.00 H new ATOM 0 HH12 ARG A 102 179.705 0.096 16.114 1.00 0.00 H new ATOM 0 HH21 ARG A 102 182.549 -1.933 15.631 1.00 0.00 H new ATOM 0 HH22 ARG A 102 181.899 -0.486 16.410 1.00 0.00 H new ATOM 1660 N PHE A 103 181.168 -6.532 10.005 1.00 0.00 N ATOM 1661 CA PHE A 103 181.170 -7.700 9.125 1.00 0.00 C ATOM 1662 C PHE A 103 182.335 -8.631 9.461 1.00 0.00 C ATOM 1663 O PHE A 103 182.144 -9.832 9.653 1.00 0.00 O ATOM 1664 CB PHE A 103 181.259 -7.265 7.658 1.00 0.00 C ATOM 1665 CG PHE A 103 180.339 -8.024 6.742 1.00 0.00 C ATOM 1666 CD1 PHE A 103 179.037 -7.596 6.536 1.00 0.00 C ATOM 1667 CD2 PHE A 103 180.777 -9.164 6.086 1.00 0.00 C ATOM 1668 CE1 PHE A 103 178.189 -8.291 5.694 1.00 0.00 C ATOM 1669 CE2 PHE A 103 179.932 -9.863 5.243 1.00 0.00 C ATOM 1670 CZ PHE A 103 178.637 -9.425 5.047 1.00 0.00 C ATOM 0 H PHE A 103 181.244 -5.639 9.517 1.00 0.00 H new ATOM 0 HA PHE A 103 180.236 -8.240 9.280 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.028 -6.202 7.590 1.00 0.00 H new ATOM 0 HB3 PHE A 103 182.285 -7.391 7.313 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.681 -6.709 7.039 1.00 0.00 H new ATOM 0 HD2 PHE A 103 181.789 -9.510 6.235 1.00 0.00 H new ATOM 0 HE1 PHE A 103 177.177 -7.947 5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 103 180.285 -10.750 4.739 1.00 0.00 H new ATOM 0 HZ PHE A 103 177.976 -9.969 4.389 1.00 0.00 H new ATOM 1680 N ALA A 104 183.543 -8.063 9.534 1.00 0.00 N ATOM 1681 CA ALA A 104 184.743 -8.836 9.852 1.00 0.00 C ATOM 1682 C ALA A 104 184.655 -9.436 11.253 1.00 0.00 C ATOM 1683 O ALA A 104 185.088 -10.565 11.476 1.00 0.00 O ATOM 1684 CB ALA A 104 185.992 -7.969 9.724 1.00 0.00 C ATOM 0 H ALA A 104 183.713 -7.070 9.377 1.00 0.00 H new ATOM 0 HA ALA A 104 184.812 -9.654 9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.874 -8.563 9.965 1.00 0.00 H new ATOM 0 HB2 ALA A 104 186.073 -7.597 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.923 -7.127 10.413 1.00 0.00 H new ATOM 1690 N LYS A 105 184.087 -8.677 12.192 1.00 0.00 N ATOM 1691 CA LYS A 105 183.936 -9.146 13.569 1.00 0.00 C ATOM 1692 C LYS A 105 182.902 -10.269 13.648 1.00 0.00 C ATOM 1693 O LYS A 105 183.098 -11.256 14.359 1.00 0.00 O ATOM 1694 CB LYS A 105 183.523 -7.992 14.491 1.00 0.00 C ATOM 1695 CG LYS A 105 184.697 -7.174 15.012 1.00 0.00 C ATOM 1696 CD LYS A 105 184.297 -5.733 15.298 1.00 0.00 C ATOM 1697 CE LYS A 105 183.618 -5.595 16.653 1.00 0.00 C ATOM 1698 NZ LYS A 105 183.292 -4.176 16.974 1.00 0.00 N ATOM 0 H LYS A 105 183.725 -7.738 12.024 1.00 0.00 H new ATOM 0 HA LYS A 105 184.900 -9.533 13.899 1.00 0.00 H new ATOM 0 HB2 LYS A 105 182.844 -7.333 13.951 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.969 -8.396 15.338 1.00 0.00 H new ATOM 0 HG2 LYS A 105 185.084 -7.632 15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 105 185.504 -7.189 14.280 1.00 0.00 H new ATOM 0 HD2 LYS A 105 185.182 -5.097 15.268 1.00 0.00 H new ATOM 0 HD3 LYS A 105 183.624 -5.380 14.516 1.00 0.00 H new ATOM 0 HE2 LYS A 105 182.703 -6.188 16.662 1.00 0.00 H new ATOM 0 HE3 LYS A 105 184.269 -6.001 17.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 182.877 -4.122 17.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 184.160 -3.604 16.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 182.611 -3.810 16.279 1.00 0.00 H new ATOM 1712 N MET A 106 181.802 -10.110 12.911 1.00 0.00 N ATOM 1713 CA MET A 106 180.733 -11.106 12.891 1.00 0.00 C ATOM 1714 C MET A 106 181.194 -12.399 12.217 1.00 0.00 C ATOM 1715 O MET A 106 180.941 -13.494 12.722 1.00 0.00 O ATOM 1716 CB MET A 106 179.502 -10.550 12.168 1.00 0.00 C ATOM 1717 CG MET A 106 178.232 -10.606 13.001 1.00 0.00 C ATOM 1718 SD MET A 106 176.794 -11.134 12.048 1.00 0.00 S ATOM 1719 CE MET A 106 177.360 -12.716 11.425 1.00 0.00 C ATOM 0 H MET A 106 181.629 -9.298 12.319 1.00 0.00 H new ATOM 0 HA MET A 106 180.469 -11.335 13.924 1.00 0.00 H new ATOM 0 HB2 MET A 106 179.694 -9.516 11.883 1.00 0.00 H new ATOM 0 HB3 MET A 106 179.348 -11.111 11.246 1.00 0.00 H new ATOM 0 HG2 MET A 106 178.380 -11.291 13.836 1.00 0.00 H new ATOM 0 HG3 MET A 106 178.038 -9.621 13.427 1.00 0.00 H new ATOM 0 HE1 MET A 106 176.525 -13.416 11.397 1.00 0.00 H new ATOM 0 HE2 MET A 106 177.761 -12.589 10.419 1.00 0.00 H new ATOM 0 HE3 MET A 106 178.139 -13.107 12.079 1.00 0.00 H new ATOM 1729 N LEU A 107 181.875 -12.264 11.076 1.00 0.00 N ATOM 1730 CA LEU A 107 182.375 -13.423 10.336 1.00 0.00 C ATOM 1731 C LEU A 107 183.591 -14.029 11.037 1.00 0.00 C ATOM 1732 O LEU A 107 183.718 -15.252 11.130 1.00 0.00 O ATOM 1733 CB LEU A 107 182.748 -13.030 8.902 1.00 0.00 C ATOM 1734 CG LEU A 107 181.744 -13.452 7.825 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.664 -12.394 6.737 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.126 -14.802 7.230 1.00 0.00 C ATOM 0 H LEU A 107 182.092 -11.365 10.646 1.00 0.00 H new ATOM 0 HA LEU A 107 181.579 -14.167 10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 107 182.868 -11.947 8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 107 183.717 -13.468 8.663 1.00 0.00 H new ATOM 0 HG LEU A 107 180.762 -13.551 8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 107 180.947 -12.706 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 107 181.342 -11.448 7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 107 182.645 -12.268 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 107 181.399 -15.082 6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 107 183.116 -14.734 6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 107 182.136 -15.557 8.016 1.00 0.00 H new ATOM 1748 N GLN A 108 184.481 -13.159 11.524 1.00 0.00 N ATOM 1749 CA GLN A 108 185.696 -13.584 12.222 1.00 0.00 C ATOM 1750 C GLN A 108 186.636 -14.341 11.281 1.00 0.00 C ATOM 1751 O GLN A 108 186.431 -15.557 11.075 1.00 0.00 O ATOM 1752 CB GLN A 108 185.344 -14.441 13.447 1.00 0.00 C ATOM 1753 CG GLN A 108 185.832 -13.854 14.768 1.00 0.00 C ATOM 1754 CD GLN A 108 186.557 -14.871 15.630 1.00 0.00 C ATOM 1755 OE1 GLN A 108 186.230 -15.056 16.802 1.00 0.00 O ATOM 1756 NE2 GLN A 108 187.554 -15.535 15.054 1.00 0.00 N ATOM 0 H GLN A 108 184.380 -12.147 11.446 1.00 0.00 H new ATOM 0 HA GLN A 108 186.217 -12.691 12.566 1.00 0.00 H new ATOM 0 HB2 GLN A 108 184.262 -14.566 13.493 1.00 0.00 H new ATOM 0 HB3 GLN A 108 185.775 -15.434 13.320 1.00 0.00 H new ATOM 0 HG2 GLN A 108 186.499 -13.016 14.564 1.00 0.00 H new ATOM 0 HG3 GLN A 108 184.981 -13.457 15.321 1.00 0.00 H new ATOM 0 HE21 GLN A 108 187.793 -15.352 14.080 1.00 0.00 H new ATOM 0 HE22 GLN A 108 188.080 -16.228 15.586 1.00 0.00 H new