USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 847 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 75 THR OG1 : rot -106:sc= 0.42 USER MOD Set 1.2: A 94 TYR OH : rot 150:sc= 0.777 USER MOD Set 2.1: A 74 GLN : amide:sc= -0.659 K(o=-0.89,f=-0.29) USER MOD Set 2.2: A 77 GLN : amide:sc= -0.235 K(o=-0.89,f=-7.6!) USER MOD Set 3.1: A 57 HIS : no HD1:sc= 0 X(o=2.1,f=1.6) USER MOD Set 3.2: A 59 HIS : no HD1:sc= 1.01 K(o=2.1,f=-0.96) USER MOD Set 3.3: A 61 TYR OH : rot 64:sc= 1.06 USER MOD Set 4.1: A 7 HIS : no HD1:sc= 0.937 K(o=2.1,f=-2.3) USER MOD Set 4.2: A 9 SER OG : rot -122:sc= 1.13 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= 0.915 (180deg=-0.421!) USER MOD Single : A 3 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=-0.00032) USER MOD Single : A 4 HIS : no HD1:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=-0.044) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.332 K(o=0.33,f=-1.1) USER MOD Single : A 11 MET CE :methyl 172:sc= -0.0166 (180deg=-0.146) USER MOD Single : A 12 SER OG : rot 90:sc= 0.244 USER MOD Single : A 14 TYR OH : rot 13:sc= -0.315! USER MOD Single : A 15 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.013) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0319 USER MOD Single : A 35 SER OG : rot -50:sc= -0.0574 USER MOD Single : A 41 SER OG : rot 120:sc= -0.107 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 80:sc= -0.765 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc=-0.00691 X(o=-0.0069,f=-0.45) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 2:sc= 0.405 USER MOD Single : A 85 GLN : amide:sc= -0.465 X(o=-0.46,f=-0.1) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0.113 K(o=0.11,f=-0.97) USER MOD Single : A 98 ASN : amide:sc= -0.162 K(o=-0.16,f=-7.7!) USER MOD Single : A 99 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.6!) USER MOD Single : A 103 CYS SG : rot 164:sc= -1.18! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.796 -13.943 -39.237 1.00 0.00 N ATOM 2 CA MET A 1 -20.536 -14.964 -38.199 1.00 0.00 C ATOM 3 C MET A 1 -20.185 -14.273 -36.860 1.00 0.00 C ATOM 4 O MET A 1 -19.256 -13.459 -36.791 1.00 0.00 O ATOM 5 CB MET A 1 -19.425 -15.960 -38.665 1.00 0.00 C ATOM 6 CG MET A 1 -18.082 -15.321 -39.080 1.00 0.00 C ATOM 7 SD MET A 1 -18.227 -14.222 -40.516 1.00 0.00 S ATOM 8 CE MET A 1 -16.546 -13.612 -40.694 1.00 0.00 C ATOM 0 H1 MET A 1 -21.601 -14.242 -39.824 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.018 -13.034 -38.782 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.953 -13.834 -39.836 1.00 0.00 H new ATOM 0 HA MET A 1 -21.438 -15.556 -38.040 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.235 -16.667 -37.858 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.809 -16.534 -39.508 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.680 -14.757 -38.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.366 -16.111 -39.306 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.495 -12.927 -41.540 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.251 -13.089 -39.785 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.871 -14.450 -40.865 1.00 0.00 H new ATOM 20 N GLY A 2 -20.961 -14.589 -35.805 1.00 0.00 N ATOM 21 CA GLY A 2 -20.791 -13.981 -34.480 1.00 0.00 C ATOM 22 C GLY A 2 -19.714 -14.664 -33.649 1.00 0.00 C ATOM 23 O GLY A 2 -19.362 -15.818 -33.914 1.00 0.00 O ATOM 0 H GLY A 2 -21.719 -15.270 -35.851 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -20.538 -12.928 -34.599 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.738 -14.022 -33.943 1.00 0.00 H new ATOM 27 N HIS A 3 -19.195 -13.930 -32.649 1.00 0.00 N ATOM 28 CA HIS A 3 -18.174 -14.417 -31.701 1.00 0.00 C ATOM 29 C HIS A 3 -17.995 -13.394 -30.569 1.00 0.00 C ATOM 30 O HIS A 3 -18.354 -12.222 -30.713 1.00 0.00 O ATOM 31 CB HIS A 3 -16.807 -14.710 -32.398 1.00 0.00 C ATOM 32 CG HIS A 3 -16.156 -13.526 -33.093 1.00 0.00 C ATOM 33 ND1 HIS A 3 -14.874 -13.094 -32.824 1.00 0.00 N ATOM 34 CD2 HIS A 3 -16.612 -12.718 -34.081 1.00 0.00 C ATOM 35 CE1 HIS A 3 -14.576 -12.080 -33.616 1.00 0.00 C ATOM 36 NE2 HIS A 3 -15.612 -11.835 -34.384 1.00 0.00 N ATOM 0 H HIS A 3 -19.477 -12.966 -32.473 1.00 0.00 H new ATOM 0 HA HIS A 3 -18.525 -15.363 -31.289 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -16.114 -15.095 -31.650 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -16.956 -15.502 -33.132 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -17.587 -12.763 -34.544 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -13.639 -11.543 -33.629 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -15.663 -11.104 -35.093 1.00 0.00 H new ATOM 45 N HIS A 4 -17.408 -13.855 -29.459 1.00 0.00 N ATOM 46 CA HIS A 4 -17.204 -13.060 -28.233 1.00 0.00 C ATOM 47 C HIS A 4 -15.852 -13.471 -27.627 1.00 0.00 C ATOM 48 O HIS A 4 -15.595 -14.660 -27.445 1.00 0.00 O ATOM 49 CB HIS A 4 -18.384 -13.280 -27.241 1.00 0.00 C ATOM 50 CG HIS A 4 -18.664 -14.725 -26.878 1.00 0.00 C ATOM 51 ND1 HIS A 4 -18.422 -15.258 -25.630 1.00 0.00 N ATOM 52 CD2 HIS A 4 -19.155 -15.746 -27.621 1.00 0.00 C ATOM 53 CE1 HIS A 4 -18.763 -16.530 -25.622 1.00 0.00 C ATOM 54 NE2 HIS A 4 -19.206 -16.850 -26.817 1.00 0.00 N ATOM 0 H HIS A 4 -17.053 -14.808 -29.382 1.00 0.00 H new ATOM 0 HA HIS A 4 -17.185 -11.994 -28.458 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.175 -12.726 -26.325 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -19.287 -12.850 -27.675 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -19.452 -15.697 -28.658 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -18.691 -17.197 -24.776 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -19.535 -17.773 -27.099 1.00 0.00 H new ATOM 63 N HIS A 5 -14.975 -12.488 -27.353 1.00 0.00 N ATOM 64 CA HIS A 5 -13.545 -12.742 -27.042 1.00 0.00 C ATOM 65 C HIS A 5 -13.217 -12.618 -25.545 1.00 0.00 C ATOM 66 O HIS A 5 -13.922 -11.946 -24.789 1.00 0.00 O ATOM 67 CB HIS A 5 -12.647 -11.790 -27.878 1.00 0.00 C ATOM 68 CG HIS A 5 -12.961 -10.320 -27.743 1.00 0.00 C ATOM 69 ND1 HIS A 5 -13.697 -9.630 -28.682 1.00 0.00 N ATOM 70 CD2 HIS A 5 -12.604 -9.409 -26.808 1.00 0.00 C ATOM 71 CE1 HIS A 5 -13.783 -8.366 -28.331 1.00 0.00 C ATOM 72 NE2 HIS A 5 -13.128 -8.203 -27.199 1.00 0.00 N ATOM 0 H HIS A 5 -15.229 -11.500 -27.339 1.00 0.00 H new ATOM 0 HA HIS A 5 -13.340 -13.778 -27.313 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.608 -11.950 -27.589 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.732 -12.067 -28.929 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -12.017 -9.596 -25.921 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.302 -7.593 -28.877 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -13.027 -7.322 -26.695 1.00 0.00 H new ATOM 81 N HIS A 6 -12.120 -13.291 -25.148 1.00 0.00 N ATOM 82 CA HIS A 6 -11.535 -13.220 -23.796 1.00 0.00 C ATOM 83 C HIS A 6 -10.004 -13.223 -23.918 1.00 0.00 C ATOM 84 O HIS A 6 -9.437 -14.060 -24.632 1.00 0.00 O ATOM 85 CB HIS A 6 -12.001 -14.405 -22.906 1.00 0.00 C ATOM 86 CG HIS A 6 -13.451 -14.346 -22.492 1.00 0.00 C ATOM 87 ND1 HIS A 6 -14.384 -15.284 -22.880 1.00 0.00 N ATOM 88 CD2 HIS A 6 -14.115 -13.465 -21.704 1.00 0.00 C ATOM 89 CE1 HIS A 6 -15.556 -14.985 -22.347 1.00 0.00 C ATOM 90 NE2 HIS A 6 -15.420 -13.887 -21.637 1.00 0.00 N ATOM 0 H HIS A 6 -11.605 -13.912 -25.772 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.874 -12.301 -23.318 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.828 -15.337 -23.444 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.382 -14.435 -22.010 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.696 -12.595 -21.220 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.470 -15.547 -22.473 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -16.165 -13.422 -21.119 1.00 0.00 H new ATOM 99 N HIS A 7 -9.345 -12.278 -23.233 1.00 0.00 N ATOM 100 CA HIS A 7 -7.883 -12.178 -23.180 1.00 0.00 C ATOM 101 C HIS A 7 -7.476 -11.674 -21.788 1.00 0.00 C ATOM 102 O HIS A 7 -7.575 -10.471 -21.508 1.00 0.00 O ATOM 103 CB HIS A 7 -7.350 -11.244 -24.302 1.00 0.00 C ATOM 104 CG HIS A 7 -5.846 -11.149 -24.363 1.00 0.00 C ATOM 105 ND1 HIS A 7 -5.128 -10.163 -23.719 1.00 0.00 N ATOM 106 CD2 HIS A 7 -4.926 -11.933 -24.976 1.00 0.00 C ATOM 107 CE1 HIS A 7 -3.844 -10.350 -23.932 1.00 0.00 C ATOM 108 NE2 HIS A 7 -3.691 -11.413 -24.685 1.00 0.00 N ATOM 0 H HIS A 7 -9.820 -11.554 -22.694 1.00 0.00 H new ATOM 0 HA HIS A 7 -7.440 -13.159 -23.349 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.720 -11.601 -25.263 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.760 -10.245 -24.154 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.128 -12.805 -25.581 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -3.046 -9.730 -23.550 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -2.799 -11.791 -25.002 1.00 0.00 H new ATOM 117 N HIS A 8 -7.072 -12.617 -20.910 1.00 0.00 N ATOM 118 CA HIS A 8 -6.671 -12.312 -19.518 1.00 0.00 C ATOM 119 C HIS A 8 -5.433 -11.398 -19.496 1.00 0.00 C ATOM 120 O HIS A 8 -4.306 -11.857 -19.694 1.00 0.00 O ATOM 121 CB HIS A 8 -6.380 -13.609 -18.720 1.00 0.00 C ATOM 122 CG HIS A 8 -7.586 -14.449 -18.387 1.00 0.00 C ATOM 123 ND1 HIS A 8 -8.309 -14.277 -17.223 1.00 0.00 N ATOM 124 CD2 HIS A 8 -8.149 -15.503 -19.024 1.00 0.00 C ATOM 125 CE1 HIS A 8 -9.255 -15.192 -17.154 1.00 0.00 C ATOM 126 NE2 HIS A 8 -9.183 -15.948 -18.233 1.00 0.00 N ATOM 0 H HIS A 8 -7.014 -13.608 -21.144 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.504 -11.794 -19.043 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.681 -14.218 -19.293 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.879 -13.338 -17.790 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.844 -15.916 -19.974 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.968 -15.304 -16.351 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.795 -16.735 -18.446 1.00 0.00 H new ATOM 135 N SER A 9 -5.678 -10.100 -19.289 1.00 0.00 N ATOM 136 CA SER A 9 -4.639 -9.078 -19.227 1.00 0.00 C ATOM 137 C SER A 9 -5.157 -7.885 -18.413 1.00 0.00 C ATOM 138 O SER A 9 -6.044 -7.143 -18.859 1.00 0.00 O ATOM 139 CB SER A 9 -4.215 -8.660 -20.658 1.00 0.00 C ATOM 140 OG SER A 9 -5.330 -8.295 -21.451 1.00 0.00 O ATOM 0 H SER A 9 -6.619 -9.729 -19.158 1.00 0.00 H new ATOM 0 HA SER A 9 -3.753 -9.474 -18.730 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.520 -7.823 -20.601 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.684 -9.484 -21.135 1.00 0.00 H new ATOM 0 HG SER A 9 -5.363 -8.862 -22.250 1.00 0.00 H new ATOM 146 N HIS A 10 -4.620 -7.739 -17.197 1.00 0.00 N ATOM 147 CA HIS A 10 -4.959 -6.639 -16.284 1.00 0.00 C ATOM 148 C HIS A 10 -3.740 -5.718 -16.130 1.00 0.00 C ATOM 149 O HIS A 10 -2.596 -6.121 -16.405 1.00 0.00 O ATOM 150 CB HIS A 10 -5.417 -7.188 -14.901 1.00 0.00 C ATOM 151 CG HIS A 10 -4.337 -7.896 -14.116 1.00 0.00 C ATOM 152 ND1 HIS A 10 -3.569 -7.261 -13.168 1.00 0.00 N ATOM 153 CD2 HIS A 10 -3.891 -9.179 -14.152 1.00 0.00 C ATOM 154 CE1 HIS A 10 -2.700 -8.108 -12.660 1.00 0.00 C ATOM 155 NE2 HIS A 10 -2.871 -9.282 -13.237 1.00 0.00 N ATOM 0 H HIS A 10 -3.931 -8.387 -16.814 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.789 -6.069 -16.701 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.798 -6.359 -14.304 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.247 -7.878 -15.055 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -3.660 -6.281 -12.899 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.268 -9.971 -14.783 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.969 -7.880 -11.898 1.00 0.00 H new ATOM 164 N MET A 11 -3.998 -4.488 -15.692 1.00 0.00 N ATOM 165 CA MET A 11 -2.961 -3.486 -15.423 1.00 0.00 C ATOM 166 C MET A 11 -2.206 -3.845 -14.133 1.00 0.00 C ATOM 167 O MET A 11 -2.794 -4.408 -13.196 1.00 0.00 O ATOM 168 CB MET A 11 -3.614 -2.085 -15.294 1.00 0.00 C ATOM 169 CG MET A 11 -4.330 -1.587 -16.555 1.00 0.00 C ATOM 170 SD MET A 11 -5.337 -0.103 -16.272 1.00 0.00 S ATOM 171 CE MET A 11 -4.144 1.056 -15.602 1.00 0.00 C ATOM 0 H MET A 11 -4.944 -4.152 -15.511 1.00 0.00 H new ATOM 0 HA MET A 11 -2.250 -3.471 -16.249 1.00 0.00 H new ATOM 0 HB2 MET A 11 -4.330 -2.108 -14.473 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.842 -1.364 -15.024 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.588 -1.373 -17.325 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.968 -2.382 -16.940 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.601 2.042 -15.520 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.826 0.721 -14.615 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.279 1.111 -16.263 1.00 0.00 H new ATOM 181 N SER A 12 -0.904 -3.544 -14.110 1.00 0.00 N ATOM 182 CA SER A 12 -0.051 -3.736 -12.925 1.00 0.00 C ATOM 183 C SER A 12 -0.493 -2.797 -11.786 1.00 0.00 C ATOM 184 O SER A 12 -0.939 -1.675 -12.051 1.00 0.00 O ATOM 185 CB SER A 12 1.425 -3.477 -13.305 1.00 0.00 C ATOM 186 OG SER A 12 1.593 -2.186 -13.879 1.00 0.00 O ATOM 0 H SER A 12 -0.407 -3.159 -14.913 1.00 0.00 H new ATOM 0 HA SER A 12 -0.151 -4.763 -12.573 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.052 -3.567 -12.418 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.760 -4.237 -14.011 1.00 0.00 H new ATOM 0 HG SER A 12 1.778 -1.535 -13.171 1.00 0.00 H new ATOM 192 N TRP A 13 -0.315 -3.217 -10.513 1.00 0.00 N ATOM 193 CA TRP A 13 -0.795 -2.435 -9.347 1.00 0.00 C ATOM 194 C TRP A 13 0.198 -1.290 -9.056 1.00 0.00 C ATOM 195 O TRP A 13 -0.144 -0.305 -8.401 1.00 0.00 O ATOM 196 CB TRP A 13 -0.993 -3.355 -8.094 1.00 0.00 C ATOM 197 CG TRP A 13 0.003 -4.499 -7.961 1.00 0.00 C ATOM 198 CD1 TRP A 13 -0.214 -5.811 -8.299 1.00 0.00 C ATOM 199 CD2 TRP A 13 1.355 -4.443 -7.474 1.00 0.00 C ATOM 200 NE1 TRP A 13 0.905 -6.558 -8.057 1.00 0.00 N ATOM 201 CE2 TRP A 13 1.884 -5.743 -7.561 1.00 0.00 C ATOM 202 CE3 TRP A 13 2.170 -3.423 -6.992 1.00 0.00 C ATOM 203 CZ2 TRP A 13 3.184 -6.046 -7.171 1.00 0.00 C ATOM 204 CZ3 TRP A 13 3.463 -3.723 -6.607 1.00 0.00 C ATOM 205 CH2 TRP A 13 3.961 -5.025 -6.709 1.00 0.00 C ATOM 0 H TRP A 13 0.155 -4.088 -10.266 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.768 -2.004 -9.581 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.933 -2.738 -7.198 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.999 -3.773 -8.127 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.139 -6.199 -8.700 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.995 -7.561 -8.220 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.797 -2.412 -6.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.565 -7.055 -7.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.098 -2.939 -6.221 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.981 -5.226 -6.416 1.00 0.00 H new ATOM 216 N TYR A 14 1.440 -1.466 -9.544 1.00 0.00 N ATOM 217 CA TYR A 14 2.469 -0.425 -9.521 1.00 0.00 C ATOM 218 C TYR A 14 2.256 0.531 -10.701 1.00 0.00 C ATOM 219 O TYR A 14 2.152 0.100 -11.855 1.00 0.00 O ATOM 220 CB TYR A 14 3.891 -1.030 -9.555 1.00 0.00 C ATOM 221 CG TYR A 14 5.005 0.020 -9.539 1.00 0.00 C ATOM 222 CD1 TYR A 14 5.332 0.703 -8.363 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.727 0.338 -10.692 1.00 0.00 C ATOM 224 CE1 TYR A 14 6.333 1.652 -8.340 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.727 1.285 -10.669 1.00 0.00 C ATOM 226 CZ TYR A 14 7.027 1.939 -9.497 1.00 0.00 C ATOM 227 OH TYR A 14 8.036 2.873 -9.485 1.00 0.00 O ATOM 0 H TYR A 14 1.753 -2.340 -9.966 1.00 0.00 H new ATOM 0 HA TYR A 14 2.379 0.129 -8.587 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.015 -1.692 -8.698 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.994 -1.643 -10.450 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.790 0.483 -7.455 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.497 -0.168 -11.618 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.572 2.167 -7.421 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.275 1.514 -11.571 1.00 0.00 H new ATOM 0 HH TYR A 14 8.273 3.086 -8.558 1.00 0.00 H new ATOM 237 N HIS A 15 2.157 1.831 -10.394 1.00 0.00 N ATOM 238 CA HIS A 15 2.058 2.903 -11.392 1.00 0.00 C ATOM 239 C HIS A 15 3.287 3.820 -11.241 1.00 0.00 C ATOM 240 O HIS A 15 3.597 4.242 -10.118 1.00 0.00 O ATOM 241 CB HIS A 15 0.745 3.704 -11.190 1.00 0.00 C ATOM 242 CG HIS A 15 -0.533 2.910 -11.309 1.00 0.00 C ATOM 243 ND1 HIS A 15 -1.434 3.079 -12.336 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.081 1.975 -10.488 1.00 0.00 C ATOM 245 CE1 HIS A 15 -2.479 2.300 -12.140 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.291 1.616 -11.025 1.00 0.00 N ATOM 0 H HIS A 15 2.143 2.172 -9.433 1.00 0.00 H new ATOM 0 HA HIS A 15 2.037 2.481 -12.397 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.772 4.167 -10.204 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.718 4.512 -11.921 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.644 1.586 -9.580 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.344 2.232 -12.783 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.938 0.934 -10.629 1.00 0.00 H new ATOM 255 N ARG A 16 4.001 4.118 -12.359 1.00 0.00 N ATOM 256 CA ARG A 16 5.265 4.902 -12.307 1.00 0.00 C ATOM 257 C ARG A 16 5.014 6.404 -12.069 1.00 0.00 C ATOM 258 O ARG A 16 5.798 7.055 -11.375 1.00 0.00 O ATOM 259 CB ARG A 16 6.158 4.705 -13.576 1.00 0.00 C ATOM 260 CG ARG A 16 6.725 3.271 -13.764 1.00 0.00 C ATOM 261 CD ARG A 16 5.876 2.372 -14.675 1.00 0.00 C ATOM 262 NE ARG A 16 5.943 2.815 -16.088 1.00 0.00 N ATOM 263 CZ ARG A 16 5.113 2.443 -17.067 1.00 0.00 C ATOM 264 NH1 ARG A 16 4.076 1.660 -16.824 1.00 0.00 N ATOM 265 NH2 ARG A 16 5.316 2.887 -18.297 1.00 0.00 N ATOM 0 H ARG A 16 3.727 3.831 -13.298 1.00 0.00 H new ATOM 0 HA ARG A 16 5.811 4.504 -11.451 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.573 4.966 -14.458 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.992 5.406 -13.527 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.731 3.342 -14.178 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.815 2.797 -12.787 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.224 1.342 -14.598 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.840 2.384 -14.337 1.00 0.00 H new ATOM 0 HE ARG A 16 6.691 3.463 -16.336 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.898 1.329 -15.876 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.454 1.387 -17.585 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.101 3.508 -18.492 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.687 2.608 -19.050 1.00 0.00 H new ATOM 279 N ASP A 17 3.952 6.979 -12.665 1.00 0.00 N ATOM 280 CA ASP A 17 3.546 8.372 -12.387 1.00 0.00 C ATOM 281 C ASP A 17 2.039 8.428 -12.088 1.00 0.00 C ATOM 282 O ASP A 17 1.198 8.534 -12.985 1.00 0.00 O ATOM 283 CB ASP A 17 3.977 9.333 -13.547 1.00 0.00 C ATOM 284 CG ASP A 17 3.462 8.948 -14.955 1.00 0.00 C ATOM 285 OD1 ASP A 17 3.918 7.919 -15.505 1.00 0.00 O ATOM 286 OD2 ASP A 17 2.603 9.669 -15.521 1.00 0.00 O ATOM 0 H ASP A 17 3.359 6.501 -13.343 1.00 0.00 H new ATOM 0 HA ASP A 17 4.067 8.727 -11.498 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.626 10.338 -13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.066 9.374 -13.576 1.00 0.00 H new ATOM 291 N LEU A 18 1.715 8.281 -10.794 1.00 0.00 N ATOM 292 CA LEU A 18 0.353 8.398 -10.250 1.00 0.00 C ATOM 293 C LEU A 18 0.431 9.237 -8.972 1.00 0.00 C ATOM 294 O LEU A 18 1.385 9.086 -8.204 1.00 0.00 O ATOM 295 CB LEU A 18 -0.220 6.986 -9.932 1.00 0.00 C ATOM 296 CG LEU A 18 -1.690 6.924 -9.397 1.00 0.00 C ATOM 297 CD1 LEU A 18 -2.693 7.480 -10.436 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.066 5.485 -8.969 1.00 0.00 C ATOM 0 H LEU A 18 2.411 8.072 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.307 8.873 -10.976 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.163 6.384 -10.839 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.430 6.514 -9.195 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.747 7.560 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.704 7.422 -10.033 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.449 8.519 -10.657 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.633 6.891 -11.351 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.092 5.471 -8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.978 4.816 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.393 5.153 -8.178 1.00 0.00 H new ATOM 310 N SER A 19 -0.542 10.132 -8.754 1.00 0.00 N ATOM 311 CA SER A 19 -0.620 10.965 -7.537 1.00 0.00 C ATOM 312 C SER A 19 -1.620 10.357 -6.535 1.00 0.00 C ATOM 313 O SER A 19 -2.396 9.466 -6.891 1.00 0.00 O ATOM 314 CB SER A 19 -1.015 12.406 -7.923 1.00 0.00 C ATOM 315 OG SER A 19 -1.043 13.265 -6.797 1.00 0.00 O ATOM 0 H SER A 19 -1.300 10.302 -9.415 1.00 0.00 H new ATOM 0 HA SER A 19 0.356 10.994 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.308 12.792 -8.657 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.996 12.399 -8.399 1.00 0.00 H new ATOM 0 HG SER A 19 -1.295 14.168 -7.081 1.00 0.00 H new ATOM 321 N ARG A 20 -1.590 10.859 -5.285 1.00 0.00 N ATOM 322 CA ARG A 20 -2.355 10.293 -4.149 1.00 0.00 C ATOM 323 C ARG A 20 -3.890 10.401 -4.333 1.00 0.00 C ATOM 324 O ARG A 20 -4.620 9.468 -3.977 1.00 0.00 O ATOM 325 CB ARG A 20 -1.932 10.978 -2.815 1.00 0.00 C ATOM 326 CG ARG A 20 -2.327 12.474 -2.684 1.00 0.00 C ATOM 327 CD ARG A 20 -1.863 13.110 -1.366 1.00 0.00 C ATOM 328 NE ARG A 20 -0.395 13.159 -1.279 1.00 0.00 N ATOM 329 CZ ARG A 20 0.345 12.835 -0.208 1.00 0.00 C ATOM 330 NH1 ARG A 20 -0.223 12.379 0.907 1.00 0.00 N ATOM 331 NH2 ARG A 20 1.661 12.965 -0.273 1.00 0.00 N ATOM 0 H ARG A 20 -1.032 11.674 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.113 9.231 -4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.377 10.428 -1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.850 10.894 -2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.900 13.030 -3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.410 12.565 -2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.267 14.119 -1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.260 12.540 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 20 0.107 13.468 -2.111 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.236 12.271 0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.355 12.137 1.712 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.098 13.307 -1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.238 12.723 0.533 1.00 0.00 H new ATOM 345 N ALA A 21 -4.367 11.544 -4.871 1.00 0.00 N ATOM 346 CA ALA A 21 -5.807 11.804 -5.063 1.00 0.00 C ATOM 347 C ALA A 21 -6.411 10.810 -6.059 1.00 0.00 C ATOM 348 O ALA A 21 -7.445 10.191 -5.789 1.00 0.00 O ATOM 349 CB ALA A 21 -6.047 13.256 -5.517 1.00 0.00 C ATOM 0 H ALA A 21 -3.767 12.308 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.307 11.666 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.116 13.423 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.665 13.942 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.530 13.432 -6.460 1.00 0.00 H new ATOM 355 N ALA A 22 -5.728 10.650 -7.199 1.00 0.00 N ATOM 356 CA ALA A 22 -6.140 9.714 -8.261 1.00 0.00 C ATOM 357 C ALA A 22 -6.014 8.253 -7.809 1.00 0.00 C ATOM 358 O ALA A 22 -6.767 7.407 -8.266 1.00 0.00 O ATOM 359 CB ALA A 22 -5.319 9.954 -9.529 1.00 0.00 C ATOM 0 H ALA A 22 -4.874 11.164 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.191 9.902 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.634 9.256 -10.304 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.475 10.976 -9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.262 9.802 -9.312 1.00 0.00 H new ATOM 365 N ALA A 23 -5.040 7.981 -6.920 1.00 0.00 N ATOM 366 CA ALA A 23 -4.819 6.634 -6.350 1.00 0.00 C ATOM 367 C ALA A 23 -6.007 6.209 -5.466 1.00 0.00 C ATOM 368 O ALA A 23 -6.645 5.186 -5.719 1.00 0.00 O ATOM 369 CB ALA A 23 -3.512 6.604 -5.543 1.00 0.00 C ATOM 0 H ALA A 23 -4.386 8.684 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.738 5.924 -7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.362 5.607 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.676 6.855 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.569 7.329 -4.731 1.00 0.00 H new ATOM 375 N GLU A 24 -6.296 7.040 -4.448 1.00 0.00 N ATOM 376 CA GLU A 24 -7.396 6.838 -3.475 1.00 0.00 C ATOM 377 C GLU A 24 -8.775 6.738 -4.170 1.00 0.00 C ATOM 378 O GLU A 24 -9.640 5.945 -3.769 1.00 0.00 O ATOM 379 CB GLU A 24 -7.395 8.019 -2.471 1.00 0.00 C ATOM 380 CG GLU A 24 -8.480 7.963 -1.379 1.00 0.00 C ATOM 381 CD GLU A 24 -8.459 9.187 -0.443 1.00 0.00 C ATOM 382 OE1 GLU A 24 -7.715 9.180 0.559 1.00 0.00 O ATOM 383 OE2 GLU A 24 -9.163 10.180 -0.730 1.00 0.00 O ATOM 0 H GLU A 24 -5.762 7.891 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.228 5.894 -2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.419 8.061 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.514 8.948 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.460 7.891 -1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.345 7.058 -0.787 1.00 0.00 H new ATOM 390 N GLU A 25 -8.953 7.566 -5.207 1.00 0.00 N ATOM 391 CA GLU A 25 -10.199 7.615 -5.992 1.00 0.00 C ATOM 392 C GLU A 25 -10.353 6.333 -6.837 1.00 0.00 C ATOM 393 O GLU A 25 -11.436 5.743 -6.904 1.00 0.00 O ATOM 394 CB GLU A 25 -10.219 8.862 -6.910 1.00 0.00 C ATOM 395 CG GLU A 25 -11.535 9.073 -7.679 1.00 0.00 C ATOM 396 CD GLU A 25 -11.477 10.259 -8.645 1.00 0.00 C ATOM 397 OE1 GLU A 25 -11.614 11.417 -8.185 1.00 0.00 O ATOM 398 OE2 GLU A 25 -11.270 10.047 -9.863 1.00 0.00 O ATOM 0 H GLU A 25 -8.240 8.221 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.037 7.682 -5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.023 9.746 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.403 8.781 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.773 8.168 -8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.345 9.230 -6.967 1.00 0.00 H new ATOM 405 N LEU A 26 -9.246 5.931 -7.489 1.00 0.00 N ATOM 406 CA LEU A 26 -9.155 4.673 -8.272 1.00 0.00 C ATOM 407 C LEU A 26 -9.469 3.438 -7.396 1.00 0.00 C ATOM 408 O LEU A 26 -10.075 2.469 -7.868 1.00 0.00 O ATOM 409 CB LEU A 26 -7.744 4.564 -8.913 1.00 0.00 C ATOM 410 CG LEU A 26 -7.468 3.360 -9.869 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.487 3.307 -11.034 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.003 3.402 -10.389 1.00 0.00 C ATOM 0 H LEU A 26 -8.380 6.470 -7.490 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.903 4.698 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.557 5.483 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.012 4.525 -8.106 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.597 2.441 -9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.261 2.456 -11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.494 3.201 -10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.424 4.227 -11.615 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.828 2.556 -11.054 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.837 4.331 -10.934 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.316 3.348 -9.545 1.00 0.00 H new ATOM 424 N LEU A 27 -9.075 3.508 -6.109 1.00 0.00 N ATOM 425 CA LEU A 27 -9.407 2.477 -5.110 1.00 0.00 C ATOM 426 C LEU A 27 -10.929 2.476 -4.874 1.00 0.00 C ATOM 427 O LEU A 27 -11.578 1.455 -5.031 1.00 0.00 O ATOM 428 CB LEU A 27 -8.676 2.733 -3.761 1.00 0.00 C ATOM 429 CG LEU A 27 -7.118 2.690 -3.784 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.536 3.001 -2.390 1.00 0.00 C ATOM 431 CD2 LEU A 27 -6.583 1.351 -4.336 1.00 0.00 C ATOM 0 H LEU A 27 -8.520 4.278 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.079 1.511 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.983 3.710 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.025 1.994 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.782 3.469 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.447 2.964 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.853 3.996 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.895 2.263 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.493 1.366 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.936 0.532 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.942 1.208 -5.355 1.00 0.00 H new ATOM 443 N ALA A 28 -11.467 3.671 -4.560 1.00 0.00 N ATOM 444 CA ALA A 28 -12.876 3.869 -4.149 1.00 0.00 C ATOM 445 C ALA A 28 -13.874 3.432 -5.228 1.00 0.00 C ATOM 446 O ALA A 28 -14.909 2.838 -4.933 1.00 0.00 O ATOM 447 CB ALA A 28 -13.090 5.344 -3.761 1.00 0.00 C ATOM 0 H ALA A 28 -10.931 4.538 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.067 3.231 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.126 5.494 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.429 5.602 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.867 5.981 -4.617 1.00 0.00 H new ATOM 453 N ARG A 29 -13.530 3.720 -6.480 1.00 0.00 N ATOM 454 CA ARG A 29 -14.366 3.401 -7.639 1.00 0.00 C ATOM 455 C ARG A 29 -14.338 1.886 -7.933 1.00 0.00 C ATOM 456 O ARG A 29 -15.386 1.236 -7.996 1.00 0.00 O ATOM 457 CB ARG A 29 -13.857 4.205 -8.865 1.00 0.00 C ATOM 458 CG ARG A 29 -14.680 4.002 -10.153 1.00 0.00 C ATOM 459 CD ARG A 29 -14.078 4.722 -11.365 1.00 0.00 C ATOM 460 NE ARG A 29 -14.835 4.464 -12.602 1.00 0.00 N ATOM 461 CZ ARG A 29 -14.312 4.437 -13.839 1.00 0.00 C ATOM 462 NH1 ARG A 29 -13.004 4.611 -14.028 1.00 0.00 N ATOM 463 NH2 ARG A 29 -15.100 4.230 -14.879 1.00 0.00 N ATOM 0 H ARG A 29 -12.656 4.186 -6.723 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.399 3.678 -7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.857 5.265 -8.613 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.822 3.925 -9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.751 2.936 -10.368 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.696 4.363 -9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.055 5.795 -11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.045 4.400 -11.500 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.836 4.292 -12.512 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.389 4.767 -13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.618 4.589 -14.972 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.101 4.092 -14.741 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.707 4.209 -15.820 1.00 0.00 H new ATOM 477 N ALA A 30 -13.120 1.339 -8.044 1.00 0.00 N ATOM 478 CA ALA A 30 -12.887 -0.007 -8.604 1.00 0.00 C ATOM 479 C ALA A 30 -13.067 -1.131 -7.562 1.00 0.00 C ATOM 480 O ALA A 30 -13.861 -2.050 -7.775 1.00 0.00 O ATOM 481 CB ALA A 30 -11.495 -0.063 -9.239 1.00 0.00 C ATOM 0 H ALA A 30 -12.266 1.813 -7.749 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.645 -0.182 -9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.323 -1.057 -9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.428 0.678 -10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.741 0.150 -8.482 1.00 0.00 H new ATOM 487 N GLY A 31 -12.324 -1.061 -6.441 1.00 0.00 N ATOM 488 CA GLY A 31 -12.294 -2.154 -5.451 1.00 0.00 C ATOM 489 C GLY A 31 -13.152 -1.878 -4.215 1.00 0.00 C ATOM 490 O GLY A 31 -13.918 -2.738 -3.775 1.00 0.00 O ATOM 0 H GLY A 31 -11.738 -0.262 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.638 -3.073 -5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.264 -2.323 -5.138 1.00 0.00 H new ATOM 494 N ARG A 32 -12.997 -0.658 -3.678 1.00 0.00 N ATOM 495 CA ARG A 32 -13.693 -0.134 -2.472 1.00 0.00 C ATOM 496 C ARG A 32 -13.660 -1.088 -1.225 1.00 0.00 C ATOM 497 O ARG A 32 -14.434 -0.917 -0.276 1.00 0.00 O ATOM 498 CB ARG A 32 -15.152 0.270 -2.885 1.00 0.00 C ATOM 499 CG ARG A 32 -15.917 1.165 -1.873 1.00 0.00 C ATOM 500 CD ARG A 32 -17.328 1.544 -2.350 1.00 0.00 C ATOM 501 NE ARG A 32 -17.289 2.405 -3.544 1.00 0.00 N ATOM 502 CZ ARG A 32 -18.223 2.466 -4.497 1.00 0.00 C ATOM 503 NH1 ARG A 32 -19.341 1.757 -4.409 1.00 0.00 N ATOM 504 NH2 ARG A 32 -18.024 3.249 -5.544 1.00 0.00 N ATOM 0 H ARG A 32 -12.358 0.026 -4.083 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.144 0.741 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.108 0.791 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.729 -0.641 -3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.990 0.643 -0.919 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.343 2.075 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.892 0.638 -2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.857 2.059 -1.548 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.475 3.010 -3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.499 1.152 -3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.042 1.817 -5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.166 3.796 -5.616 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -18.728 3.306 -6.280 1.00 0.00 H new ATOM 518 N ASP A 33 -12.690 -2.026 -1.178 1.00 0.00 N ATOM 519 CA ASP A 33 -12.696 -3.137 -0.202 1.00 0.00 C ATOM 520 C ASP A 33 -11.352 -3.875 -0.263 1.00 0.00 C ATOM 521 O ASP A 33 -11.099 -4.610 -1.223 1.00 0.00 O ATOM 522 CB ASP A 33 -13.864 -4.119 -0.500 1.00 0.00 C ATOM 523 CG ASP A 33 -13.936 -5.298 0.487 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.356 -5.081 1.639 1.00 0.00 O ATOM 525 OD2 ASP A 33 -13.575 -6.445 0.119 1.00 0.00 O ATOM 0 H ASP A 33 -11.888 -2.035 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.841 -2.731 0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.806 -3.572 -0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.753 -4.508 -1.512 1.00 0.00 H new ATOM 530 N GLY A 34 -10.453 -3.574 0.702 1.00 0.00 N ATOM 531 CA GLY A 34 -9.137 -4.238 0.799 1.00 0.00 C ATOM 532 C GLY A 34 -8.226 -3.901 -0.382 1.00 0.00 C ATOM 533 O GLY A 34 -7.234 -4.592 -0.651 1.00 0.00 O ATOM 0 H GLY A 34 -10.618 -2.874 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.650 -3.939 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.280 -5.317 0.847 1.00 0.00 H new ATOM 537 N SER A 35 -8.576 -2.803 -1.061 1.00 0.00 N ATOM 538 CA SER A 35 -8.029 -2.424 -2.355 1.00 0.00 C ATOM 539 C SER A 35 -6.721 -1.666 -2.189 1.00 0.00 C ATOM 540 O SER A 35 -6.696 -0.629 -1.540 1.00 0.00 O ATOM 541 CB SER A 35 -9.063 -1.550 -3.081 1.00 0.00 C ATOM 542 OG SER A 35 -10.334 -2.159 -3.026 1.00 0.00 O ATOM 0 H SER A 35 -9.267 -2.140 -0.710 1.00 0.00 H new ATOM 0 HA SER A 35 -7.819 -3.320 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.104 -0.563 -2.621 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.764 -1.406 -4.119 1.00 0.00 H new ATOM 0 HG SER A 35 -10.262 -3.093 -3.313 1.00 0.00 H new ATOM 548 N PHE A 36 -5.642 -2.161 -2.798 1.00 0.00 N ATOM 549 CA PHE A 36 -4.324 -1.542 -2.686 1.00 0.00 C ATOM 550 C PHE A 36 -3.702 -1.345 -4.063 1.00 0.00 C ATOM 551 O PHE A 36 -4.057 -2.030 -5.023 1.00 0.00 O ATOM 552 CB PHE A 36 -3.391 -2.389 -1.788 1.00 0.00 C ATOM 553 CG PHE A 36 -3.020 -3.768 -2.352 1.00 0.00 C ATOM 554 CD1 PHE A 36 -3.898 -4.847 -2.249 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.785 -3.990 -2.970 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.555 -6.091 -2.747 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.453 -5.237 -3.465 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.333 -6.287 -3.348 1.00 0.00 C ATOM 0 H PHE A 36 -5.659 -2.999 -3.380 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.450 -0.564 -2.221 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.474 -1.827 -1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.872 -2.527 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.858 -4.709 -1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.081 -3.176 -3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.250 -6.913 -2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.498 -5.387 -3.946 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.066 -7.263 -3.727 1.00 0.00 H new ATOM 568 N LEU A 37 -2.777 -0.395 -4.132 1.00 0.00 N ATOM 569 CA LEU A 37 -1.875 -0.211 -5.264 1.00 0.00 C ATOM 570 C LEU A 37 -0.563 0.390 -4.741 1.00 0.00 C ATOM 571 O LEU A 37 -0.527 0.966 -3.642 1.00 0.00 O ATOM 572 CB LEU A 37 -2.549 0.654 -6.390 1.00 0.00 C ATOM 573 CG LEU A 37 -3.090 2.084 -6.007 1.00 0.00 C ATOM 574 CD1 LEU A 37 -1.970 3.146 -5.894 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.185 2.550 -6.997 1.00 0.00 C ATOM 0 H LEU A 37 -2.629 0.285 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.649 -1.168 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.824 0.777 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.382 0.081 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.531 1.986 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.407 4.109 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.259 2.845 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.454 3.234 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.540 3.539 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.770 2.593 -8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.017 1.846 -6.977 1.00 0.00 H new ATOM 587 N VAL A 38 0.504 0.254 -5.521 1.00 0.00 N ATOM 588 CA VAL A 38 1.800 0.875 -5.226 1.00 0.00 C ATOM 589 C VAL A 38 2.056 1.907 -6.324 1.00 0.00 C ATOM 590 O VAL A 38 1.583 1.758 -7.456 1.00 0.00 O ATOM 591 CB VAL A 38 2.958 -0.185 -5.131 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.327 0.477 -4.805 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.616 -1.264 -4.073 1.00 0.00 C ATOM 0 H VAL A 38 0.499 -0.293 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 38 1.777 1.356 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 38 3.048 -0.659 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.098 -0.291 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.582 1.190 -5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.262 0.996 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.427 -1.990 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.487 -0.791 -3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.693 -1.771 -4.355 1.00 0.00 H new ATOM 603 N ARG A 39 2.750 2.976 -5.981 1.00 0.00 N ATOM 604 CA ARG A 39 2.976 4.107 -6.877 1.00 0.00 C ATOM 605 C ARG A 39 4.318 4.745 -6.559 1.00 0.00 C ATOM 606 O ARG A 39 4.781 4.677 -5.426 1.00 0.00 O ATOM 607 CB ARG A 39 1.820 5.141 -6.731 1.00 0.00 C ATOM 608 CG ARG A 39 1.445 5.476 -5.264 1.00 0.00 C ATOM 609 CD ARG A 39 0.387 6.587 -5.148 1.00 0.00 C ATOM 610 NE ARG A 39 0.894 7.864 -5.673 1.00 0.00 N ATOM 611 CZ ARG A 39 1.611 8.765 -4.974 1.00 0.00 C ATOM 612 NH1 ARG A 39 1.796 8.632 -3.669 1.00 0.00 N ATOM 613 NH2 ARG A 39 2.125 9.806 -5.589 1.00 0.00 N ATOM 0 H ARG A 39 3.180 3.090 -5.063 1.00 0.00 H new ATOM 0 HA ARG A 39 2.991 3.759 -7.910 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.105 6.062 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.937 4.755 -7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.072 4.575 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.343 5.781 -4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.510 6.297 -5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.098 6.709 -4.104 1.00 0.00 H new ATOM 0 HE ARG A 39 0.685 8.086 -6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.392 7.836 -3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.342 9.325 -3.158 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.980 9.929 -6.591 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.669 10.491 -5.064 1.00 0.00 H new ATOM 627 N ASP A 40 4.931 5.359 -7.569 1.00 0.00 N ATOM 628 CA ASP A 40 6.166 6.127 -7.392 1.00 0.00 C ATOM 629 C ASP A 40 5.758 7.583 -7.108 1.00 0.00 C ATOM 630 O ASP A 40 5.098 8.219 -7.942 1.00 0.00 O ATOM 631 CB ASP A 40 7.068 6.013 -8.646 1.00 0.00 C ATOM 632 CG ASP A 40 8.332 6.890 -8.576 1.00 0.00 C ATOM 633 OD1 ASP A 40 9.292 6.523 -7.865 1.00 0.00 O ATOM 634 OD2 ASP A 40 8.372 7.965 -9.225 1.00 0.00 O ATOM 0 H ASP A 40 4.589 5.340 -8.530 1.00 0.00 H new ATOM 0 HA ASP A 40 6.753 5.738 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.364 4.972 -8.777 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.490 6.293 -9.526 1.00 0.00 H new ATOM 639 N SER A 41 6.128 8.095 -5.919 1.00 0.00 N ATOM 640 CA SER A 41 5.695 9.419 -5.460 1.00 0.00 C ATOM 641 C SER A 41 6.743 10.472 -5.860 1.00 0.00 C ATOM 642 O SER A 41 7.769 10.636 -5.178 1.00 0.00 O ATOM 643 CB SER A 41 5.486 9.370 -3.929 1.00 0.00 C ATOM 644 OG SER A 41 4.623 8.302 -3.565 1.00 0.00 O ATOM 0 H SER A 41 6.730 7.604 -5.258 1.00 0.00 H new ATOM 0 HA SER A 41 4.751 9.699 -5.928 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.448 9.250 -3.431 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.065 10.315 -3.586 1.00 0.00 H new ATOM 0 HG SER A 41 5.098 7.687 -2.967 1.00 0.00 H new ATOM 650 N GLU A 42 6.478 11.153 -6.988 1.00 0.00 N ATOM 651 CA GLU A 42 7.315 12.263 -7.504 1.00 0.00 C ATOM 652 C GLU A 42 7.510 13.388 -6.458 1.00 0.00 C ATOM 653 O GLU A 42 8.614 13.928 -6.334 1.00 0.00 O ATOM 654 CB GLU A 42 6.664 12.809 -8.817 1.00 0.00 C ATOM 655 CG GLU A 42 7.537 13.725 -9.728 1.00 0.00 C ATOM 656 CD GLU A 42 7.763 15.158 -9.203 1.00 0.00 C ATOM 657 OE1 GLU A 42 6.763 15.865 -8.946 1.00 0.00 O ATOM 658 OE2 GLU A 42 8.934 15.578 -9.035 1.00 0.00 O ATOM 0 H GLU A 42 5.670 10.951 -7.577 1.00 0.00 H new ATOM 0 HA GLU A 42 8.313 11.881 -7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.339 11.955 -9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.768 13.365 -8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.508 13.250 -9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.068 13.786 -10.710 1.00 0.00 H new ATOM 665 N SER A 43 6.441 13.700 -5.699 1.00 0.00 N ATOM 666 CA SER A 43 6.435 14.818 -4.723 1.00 0.00 C ATOM 667 C SER A 43 7.525 14.702 -3.636 1.00 0.00 C ATOM 668 O SER A 43 7.936 15.720 -3.071 1.00 0.00 O ATOM 669 CB SER A 43 5.049 14.921 -4.052 1.00 0.00 C ATOM 670 OG SER A 43 4.024 15.072 -5.015 1.00 0.00 O ATOM 0 H SER A 43 5.559 13.189 -5.742 1.00 0.00 H new ATOM 0 HA SER A 43 6.658 15.720 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.863 14.027 -3.456 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.036 15.769 -3.367 1.00 0.00 H new ATOM 0 HG SER A 43 3.157 15.133 -4.563 1.00 0.00 H new ATOM 676 N VAL A 44 7.998 13.467 -3.355 1.00 0.00 N ATOM 677 CA VAL A 44 8.950 13.226 -2.263 1.00 0.00 C ATOM 678 C VAL A 44 10.393 13.585 -2.698 1.00 0.00 C ATOM 679 O VAL A 44 10.815 14.737 -2.520 1.00 0.00 O ATOM 680 CB VAL A 44 8.861 11.749 -1.723 1.00 0.00 C ATOM 681 CG1 VAL A 44 9.759 11.541 -0.467 1.00 0.00 C ATOM 682 CG2 VAL A 44 7.393 11.349 -1.427 1.00 0.00 C ATOM 0 H VAL A 44 7.733 12.628 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 44 8.675 13.883 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 44 9.238 11.094 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.671 10.510 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.797 11.751 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.438 12.216 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.363 10.325 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.978 12.020 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.805 11.421 -2.342 1.00 0.00 H new ATOM 692 N ALA A 45 11.119 12.628 -3.319 1.00 0.00 N ATOM 693 CA ALA A 45 12.592 12.740 -3.536 1.00 0.00 C ATOM 694 C ALA A 45 13.144 11.530 -4.309 1.00 0.00 C ATOM 695 O ALA A 45 14.360 11.304 -4.339 1.00 0.00 O ATOM 696 CB ALA A 45 13.307 12.810 -2.176 1.00 0.00 C ATOM 0 H ALA A 45 10.714 11.765 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 45 12.772 13.643 -4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.382 12.892 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.954 13.681 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.092 11.907 -1.605 1.00 0.00 H new ATOM 702 N GLY A 46 12.262 10.804 -4.983 1.00 0.00 N ATOM 703 CA GLY A 46 12.541 9.426 -5.375 1.00 0.00 C ATOM 704 C GLY A 46 12.105 8.485 -4.263 1.00 0.00 C ATOM 705 O GLY A 46 12.894 8.141 -3.384 1.00 0.00 O ATOM 0 H GLY A 46 11.345 11.146 -5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.013 9.185 -6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.605 9.302 -5.575 1.00 0.00 H new ATOM 709 N ALA A 47 10.830 8.084 -4.322 1.00 0.00 N ATOM 710 CA ALA A 47 10.157 7.332 -3.245 1.00 0.00 C ATOM 711 C ALA A 47 8.992 6.522 -3.827 1.00 0.00 C ATOM 712 O ALA A 47 8.548 6.789 -4.945 1.00 0.00 O ATOM 713 CB ALA A 47 9.674 8.251 -2.119 1.00 0.00 C ATOM 0 H ALA A 47 10.227 8.271 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 47 10.884 6.649 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.185 7.656 -1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.526 8.775 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.967 8.977 -2.520 1.00 0.00 H new ATOM 719 N PHE A 48 8.500 5.543 -3.059 1.00 0.00 N ATOM 720 CA PHE A 48 7.240 4.832 -3.357 1.00 0.00 C ATOM 721 C PHE A 48 6.211 5.107 -2.240 1.00 0.00 C ATOM 722 O PHE A 48 6.574 5.575 -1.151 1.00 0.00 O ATOM 723 CB PHE A 48 7.469 3.298 -3.498 1.00 0.00 C ATOM 724 CG PHE A 48 8.513 2.876 -4.531 1.00 0.00 C ATOM 725 CD1 PHE A 48 8.537 3.449 -5.801 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.462 1.894 -4.237 1.00 0.00 C ATOM 727 CE1 PHE A 48 9.478 3.060 -6.735 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.401 1.508 -5.178 1.00 0.00 C ATOM 729 CZ PHE A 48 10.409 2.093 -6.424 1.00 0.00 C ATOM 0 H PHE A 48 8.962 5.217 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 48 6.860 5.203 -4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.766 2.903 -2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.519 2.830 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.811 4.206 -6.058 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.463 1.429 -3.262 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.484 3.516 -7.714 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.128 0.747 -4.934 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.144 1.794 -7.157 1.00 0.00 H new ATOM 739 N ALA A 49 4.928 4.844 -2.546 1.00 0.00 N ATOM 740 CA ALA A 49 3.829 4.842 -1.568 1.00 0.00 C ATOM 741 C ALA A 49 2.868 3.667 -1.852 1.00 0.00 C ATOM 742 O ALA A 49 2.703 3.260 -3.007 1.00 0.00 O ATOM 743 CB ALA A 49 3.072 6.180 -1.587 1.00 0.00 C ATOM 0 H ALA A 49 4.623 4.624 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 49 4.254 4.714 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.265 6.152 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.758 6.990 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.655 6.348 -2.580 1.00 0.00 H new ATOM 749 N LEU A 50 2.242 3.144 -0.786 1.00 0.00 N ATOM 750 CA LEU A 50 1.272 2.035 -0.837 1.00 0.00 C ATOM 751 C LEU A 50 -0.073 2.577 -0.339 1.00 0.00 C ATOM 752 O LEU A 50 -0.207 2.908 0.839 1.00 0.00 O ATOM 753 CB LEU A 50 1.741 0.846 0.058 1.00 0.00 C ATOM 754 CG LEU A 50 0.719 -0.333 0.258 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.354 -1.019 -1.078 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.243 -1.360 1.293 1.00 0.00 C ATOM 0 H LEU A 50 2.400 3.489 0.161 1.00 0.00 H new ATOM 0 HA LEU A 50 1.183 1.659 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.654 0.435 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.001 1.241 1.040 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.199 0.103 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.354 -1.826 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.097 -0.289 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.255 -1.426 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.515 -2.163 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.189 -1.776 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.394 -0.865 2.252 1.00 0.00 H new ATOM 768 N CYS A 51 -1.049 2.684 -1.243 1.00 0.00 N ATOM 769 CA CYS A 51 -2.384 3.225 -0.938 1.00 0.00 C ATOM 770 C CYS A 51 -3.358 2.059 -0.769 1.00 0.00 C ATOM 771 O CYS A 51 -3.522 1.276 -1.696 1.00 0.00 O ATOM 772 CB CYS A 51 -2.838 4.141 -2.102 1.00 0.00 C ATOM 773 SG CYS A 51 -1.649 5.428 -2.514 1.00 0.00 S ATOM 0 H CYS A 51 -0.939 2.397 -2.216 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.358 3.810 -0.018 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.018 3.529 -2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.787 4.607 -1.837 1.00 0.00 H new ATOM 0 HG CYS A 51 -0.702 4.925 -3.249 1.00 0.00 H new ATOM 779 N VAL A 52 -4.002 1.955 0.406 1.00 0.00 N ATOM 780 CA VAL A 52 -4.937 0.846 0.726 1.00 0.00 C ATOM 781 C VAL A 52 -6.284 1.456 1.150 1.00 0.00 C ATOM 782 O VAL A 52 -6.316 2.505 1.776 1.00 0.00 O ATOM 783 CB VAL A 52 -4.406 -0.099 1.879 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.202 -1.436 1.922 1.00 0.00 C ATOM 785 CG2 VAL A 52 -2.881 -0.354 1.756 1.00 0.00 C ATOM 0 H VAL A 52 -3.894 2.631 1.162 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.038 0.228 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.571 0.417 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.815 -2.064 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.256 -1.226 2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.093 -1.955 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.555 -1.007 2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.668 -0.829 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.347 0.594 1.818 1.00 0.00 H new ATOM 795 N LEU A 53 -7.389 0.809 0.775 1.00 0.00 N ATOM 796 CA LEU A 53 -8.754 1.222 1.132 1.00 0.00 C ATOM 797 C LEU A 53 -9.536 0.002 1.630 1.00 0.00 C ATOM 798 O LEU A 53 -9.314 -1.099 1.147 1.00 0.00 O ATOM 799 CB LEU A 53 -9.475 1.854 -0.088 1.00 0.00 C ATOM 800 CG LEU A 53 -10.987 2.213 0.117 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.200 3.205 1.278 1.00 0.00 C ATOM 802 CD2 LEU A 53 -11.608 2.746 -1.174 1.00 0.00 C ATOM 0 H LEU A 53 -7.363 -0.035 0.203 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.702 1.972 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.942 2.762 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.397 1.164 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.496 1.288 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.263 3.423 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.829 2.766 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.659 4.128 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.657 2.986 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.077 3.644 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.533 1.988 -1.954 1.00 0.00 H new ATOM 814 N TYR A 54 -10.460 0.226 2.573 1.00 0.00 N ATOM 815 CA TYR A 54 -11.358 -0.806 3.098 1.00 0.00 C ATOM 816 C TYR A 54 -12.536 -0.114 3.803 1.00 0.00 C ATOM 817 O TYR A 54 -12.325 0.573 4.806 1.00 0.00 O ATOM 818 CB TYR A 54 -10.603 -1.751 4.054 1.00 0.00 C ATOM 819 CG TYR A 54 -11.466 -2.851 4.678 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.911 -3.928 3.910 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.831 -2.804 6.024 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.687 -4.924 4.470 1.00 0.00 C ATOM 823 CE2 TYR A 54 -12.604 -3.801 6.587 1.00 0.00 C ATOM 824 CZ TYR A 54 -13.029 -4.860 5.806 1.00 0.00 C ATOM 825 OH TYR A 54 -13.789 -5.871 6.371 1.00 0.00 O ATOM 0 H TYR A 54 -10.605 1.142 2.997 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.739 -1.420 2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.782 -2.217 3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.159 -1.158 4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.645 -3.983 2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.504 -1.976 6.635 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.026 -5.751 3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.875 -3.754 7.631 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.941 -5.675 7.319 1.00 0.00 H new ATOM 835 N GLN A 55 -13.750 -0.317 3.250 1.00 0.00 N ATOM 836 CA GLN A 55 -15.025 0.332 3.675 1.00 0.00 C ATOM 837 C GLN A 55 -14.824 1.801 4.128 1.00 0.00 C ATOM 838 O GLN A 55 -14.770 2.080 5.329 1.00 0.00 O ATOM 839 CB GLN A 55 -15.763 -0.532 4.761 1.00 0.00 C ATOM 840 CG GLN A 55 -17.319 -0.475 4.720 1.00 0.00 C ATOM 841 CD GLN A 55 -17.947 0.875 5.110 1.00 0.00 C ATOM 842 OE1 GLN A 55 -17.430 1.601 5.955 1.00 0.00 O ATOM 843 NE2 GLN A 55 -19.073 1.214 4.498 1.00 0.00 N ATOM 0 H GLN A 55 -13.883 -0.958 2.468 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.671 0.378 2.798 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -15.452 -1.570 4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -15.431 -0.206 5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -17.647 -0.730 3.712 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -17.710 -1.243 5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -19.481 0.592 3.800 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -19.531 2.097 4.725 1.00 0.00 H new ATOM 852 N LYS A 56 -14.597 2.685 3.145 1.00 0.00 N ATOM 853 CA LYS A 56 -14.489 4.152 3.345 1.00 0.00 C ATOM 854 C LYS A 56 -13.375 4.542 4.384 1.00 0.00 C ATOM 855 O LYS A 56 -13.434 5.601 5.022 1.00 0.00 O ATOM 856 CB LYS A 56 -15.898 4.723 3.738 1.00 0.00 C ATOM 857 CG LYS A 56 -16.051 6.258 3.600 1.00 0.00 C ATOM 858 CD LYS A 56 -15.782 6.755 2.165 1.00 0.00 C ATOM 859 CE LYS A 56 -15.828 8.283 2.048 1.00 0.00 C ATOM 860 NZ LYS A 56 -15.483 8.732 0.675 1.00 0.00 N ATOM 0 H LYS A 56 -14.480 2.404 2.171 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.173 4.607 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.653 4.242 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.110 4.444 4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.059 6.547 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.362 6.751 4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.804 6.399 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.520 6.321 1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.824 8.640 2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.134 8.725 2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.523 9.770 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.523 8.412 0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.161 8.329 -0.003 1.00 0.00 H new ATOM 874 N HIS A 57 -12.343 3.681 4.538 1.00 0.00 N ATOM 875 CA HIS A 57 -11.198 3.937 5.439 1.00 0.00 C ATOM 876 C HIS A 57 -9.884 3.704 4.670 1.00 0.00 C ATOM 877 O HIS A 57 -9.528 2.560 4.356 1.00 0.00 O ATOM 878 CB HIS A 57 -11.285 3.020 6.694 1.00 0.00 C ATOM 879 CG HIS A 57 -10.326 3.347 7.807 1.00 0.00 C ATOM 880 ND1 HIS A 57 -10.222 2.574 8.941 1.00 0.00 N ATOM 881 CD2 HIS A 57 -9.451 4.372 7.980 1.00 0.00 C ATOM 882 CE1 HIS A 57 -9.337 3.104 9.759 1.00 0.00 C ATOM 883 NE2 HIS A 57 -8.851 4.198 9.201 1.00 0.00 N ATOM 0 H HIS A 57 -12.281 2.792 4.042 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.224 4.972 5.781 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.300 3.069 7.088 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.113 1.990 6.382 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.263 5.176 7.284 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.056 2.710 10.724 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.146 4.812 9.610 1.00 0.00 H new ATOM 892 N VAL A 58 -9.191 4.809 4.350 1.00 0.00 N ATOM 893 CA VAL A 58 -7.931 4.786 3.591 1.00 0.00 C ATOM 894 C VAL A 58 -6.730 4.748 4.562 1.00 0.00 C ATOM 895 O VAL A 58 -6.759 5.350 5.641 1.00 0.00 O ATOM 896 CB VAL A 58 -7.819 6.027 2.621 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.593 5.921 1.666 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.124 6.210 1.811 1.00 0.00 C ATOM 0 H VAL A 58 -9.491 5.748 4.612 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.922 3.886 2.977 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.666 6.907 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.559 6.797 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.677 5.869 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.684 5.023 1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.024 7.071 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.312 5.316 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.957 6.373 2.495 1.00 0.00 H new ATOM 908 N HIS A 59 -5.713 3.982 4.165 1.00 0.00 N ATOM 909 CA HIS A 59 -4.433 3.834 4.862 1.00 0.00 C ATOM 910 C HIS A 59 -3.322 3.869 3.810 1.00 0.00 C ATOM 911 O HIS A 59 -3.228 2.956 2.991 1.00 0.00 O ATOM 912 CB HIS A 59 -4.394 2.513 5.692 1.00 0.00 C ATOM 913 CG HIS A 59 -4.836 2.676 7.124 1.00 0.00 C ATOM 914 ND1 HIS A 59 -3.947 2.777 8.170 1.00 0.00 N ATOM 915 CD2 HIS A 59 -6.066 2.757 7.676 1.00 0.00 C ATOM 916 CE1 HIS A 59 -4.606 2.918 9.299 1.00 0.00 C ATOM 917 NE2 HIS A 59 -5.895 2.908 9.031 1.00 0.00 N ATOM 0 H HIS A 59 -5.760 3.424 3.313 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.295 4.648 5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.031 1.773 5.208 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.378 2.117 5.679 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.008 2.712 7.150 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.165 3.024 10.279 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.644 2.998 9.717 1.00 0.00 H new ATOM 926 N THR A 60 -2.494 4.915 3.823 1.00 0.00 N ATOM 927 CA THR A 60 -1.401 5.082 2.852 1.00 0.00 C ATOM 928 C THR A 60 -0.055 5.125 3.596 1.00 0.00 C ATOM 929 O THR A 60 0.039 5.706 4.683 1.00 0.00 O ATOM 930 CB THR A 60 -1.606 6.368 1.990 1.00 0.00 C ATOM 931 OG1 THR A 60 -2.887 6.307 1.330 1.00 0.00 O ATOM 932 CG2 THR A 60 -0.502 6.548 0.931 1.00 0.00 C ATOM 0 H THR A 60 -2.558 5.671 4.504 1.00 0.00 H new ATOM 0 HA THR A 60 -1.402 4.231 2.170 1.00 0.00 H new ATOM 0 HB THR A 60 -1.560 7.222 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.016 7.115 0.791 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.691 7.456 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.467 6.625 1.425 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.499 5.690 0.259 1.00 0.00 H new ATOM 940 N TYR A 61 0.971 4.478 3.016 1.00 0.00 N ATOM 941 CA TYR A 61 2.283 4.293 3.652 1.00 0.00 C ATOM 942 C TYR A 61 3.392 4.628 2.642 1.00 0.00 C ATOM 943 O TYR A 61 3.525 3.932 1.637 1.00 0.00 O ATOM 944 CB TYR A 61 2.440 2.815 4.131 1.00 0.00 C ATOM 945 CG TYR A 61 1.262 2.280 4.965 1.00 0.00 C ATOM 946 CD1 TYR A 61 1.120 2.617 6.313 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.279 1.466 4.395 1.00 0.00 C ATOM 948 CE1 TYR A 61 0.056 2.156 7.059 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.788 1.011 5.145 1.00 0.00 C ATOM 950 CZ TYR A 61 -0.890 1.356 6.470 1.00 0.00 C ATOM 951 OH TYR A 61 -1.949 0.905 7.214 1.00 0.00 O ATOM 0 H TYR A 61 0.910 4.066 2.085 1.00 0.00 H new ATOM 0 HA TYR A 61 2.361 4.956 4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.569 2.176 3.257 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.352 2.734 4.722 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.858 3.251 6.780 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.355 1.189 3.354 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.032 2.423 8.102 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.541 0.385 4.690 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.490 1.667 7.509 1.00 0.00 H new ATOM 961 N ARG A 62 4.162 5.705 2.897 1.00 0.00 N ATOM 962 CA ARG A 62 5.375 6.024 2.112 1.00 0.00 C ATOM 963 C ARG A 62 6.435 4.920 2.315 1.00 0.00 C ATOM 964 O ARG A 62 6.429 4.217 3.338 1.00 0.00 O ATOM 965 CB ARG A 62 5.917 7.436 2.458 1.00 0.00 C ATOM 966 CG ARG A 62 4.997 8.589 1.974 1.00 0.00 C ATOM 967 CD ARG A 62 5.524 9.988 2.337 1.00 0.00 C ATOM 968 NE ARG A 62 5.510 10.239 3.796 1.00 0.00 N ATOM 969 CZ ARG A 62 5.999 11.331 4.398 1.00 0.00 C ATOM 970 NH1 ARG A 62 6.605 12.291 3.708 1.00 0.00 N ATOM 971 NH2 ARG A 62 5.878 11.455 5.711 1.00 0.00 N ATOM 0 H ARG A 62 3.965 6.372 3.643 1.00 0.00 H new ATOM 0 HA ARG A 62 5.116 6.049 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.045 7.513 3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.904 7.557 2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.882 8.522 0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.006 8.459 2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.542 10.098 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.917 10.742 1.836 1.00 0.00 H new ATOM 0 HE ARG A 62 5.094 9.522 4.391 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.706 12.206 2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.969 13.113 4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.417 10.724 6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.246 12.282 6.181 1.00 0.00 H new ATOM 985 N ILE A 63 7.363 4.789 1.352 1.00 0.00 N ATOM 986 CA ILE A 63 8.133 3.540 1.138 1.00 0.00 C ATOM 987 C ILE A 63 9.491 4.038 0.615 1.00 0.00 C ATOM 988 O ILE A 63 9.564 4.479 -0.536 1.00 0.00 O ATOM 989 CB ILE A 63 7.509 2.536 0.086 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.072 2.061 0.476 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.449 1.318 -0.148 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.391 1.198 -0.572 1.00 0.00 C ATOM 0 H ILE A 63 7.603 5.537 0.701 1.00 0.00 H new ATOM 0 HA ILE A 63 8.166 2.967 2.065 1.00 0.00 H new ATOM 0 HB ILE A 63 7.412 3.089 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.128 1.501 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.452 2.937 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.997 0.644 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.410 1.667 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.600 0.789 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.399 0.913 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.299 1.759 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.985 0.301 -0.747 1.00 0.00 H new ATOM 1004 N LEU A 64 10.540 4.031 1.438 1.00 0.00 N ATOM 1005 CA LEU A 64 11.807 4.713 1.102 1.00 0.00 C ATOM 1006 C LEU A 64 12.790 3.697 0.491 1.00 0.00 C ATOM 1007 O LEU A 64 13.383 2.898 1.230 1.00 0.00 O ATOM 1008 CB LEU A 64 12.387 5.441 2.354 1.00 0.00 C ATOM 1009 CG LEU A 64 11.535 6.642 2.902 1.00 0.00 C ATOM 1010 CD1 LEU A 64 11.124 7.609 1.770 1.00 0.00 C ATOM 1011 CD2 LEU A 64 10.306 6.174 3.722 1.00 0.00 C ATOM 0 H LEU A 64 10.545 3.563 2.344 1.00 0.00 H new ATOM 0 HA LEU A 64 11.627 5.486 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.506 4.710 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.383 5.809 2.108 1.00 0.00 H new ATOM 0 HG LEU A 64 12.179 7.190 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.536 8.427 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.018 8.011 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.528 7.073 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.753 7.044 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.659 5.564 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.641 5.584 4.575 1.00 0.00 H new ATOM 1023 N PRO A 65 12.962 3.706 -0.878 1.00 0.00 N ATOM 1024 CA PRO A 65 13.573 2.587 -1.619 1.00 0.00 C ATOM 1025 C PRO A 65 15.116 2.475 -1.529 1.00 0.00 C ATOM 1026 O PRO A 65 15.634 1.424 -1.106 1.00 0.00 O ATOM 1027 CB PRO A 65 13.079 2.827 -3.068 1.00 0.00 C ATOM 1028 CG PRO A 65 12.940 4.310 -3.182 1.00 0.00 C ATOM 1029 CD PRO A 65 12.552 4.803 -1.802 1.00 0.00 C ATOM 0 HA PRO A 65 13.274 1.629 -1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.790 2.439 -3.798 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.129 2.325 -3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.875 4.765 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.181 4.575 -3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.059 5.736 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.481 4.996 -1.737 1.00 0.00 H new ATOM 1037 N ASP A 66 15.853 3.537 -1.906 1.00 0.00 N ATOM 1038 CA ASP A 66 17.296 3.431 -2.217 1.00 0.00 C ATOM 1039 C ASP A 66 18.118 4.436 -1.385 1.00 0.00 C ATOM 1040 O ASP A 66 17.676 5.571 -1.154 1.00 0.00 O ATOM 1041 CB ASP A 66 17.498 3.664 -3.736 1.00 0.00 C ATOM 1042 CG ASP A 66 18.913 3.327 -4.232 1.00 0.00 C ATOM 1043 OD1 ASP A 66 19.186 2.133 -4.490 1.00 0.00 O ATOM 1044 OD2 ASP A 66 19.758 4.241 -4.366 1.00 0.00 O ATOM 0 H ASP A 66 15.475 4.479 -2.003 1.00 0.00 H new ATOM 0 HA ASP A 66 17.651 2.435 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.777 3.060 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.281 4.707 -3.966 1.00 0.00 H new ATOM 1049 N GLY A 67 19.300 3.991 -0.926 1.00 0.00 N ATOM 1050 CA GLY A 67 20.228 4.827 -0.152 1.00 0.00 C ATOM 1051 C GLY A 67 21.216 3.988 0.668 1.00 0.00 C ATOM 1052 O GLY A 67 22.247 4.500 1.129 1.00 0.00 O ATOM 0 H GLY A 67 19.637 3.041 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.781 5.477 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.660 5.474 0.517 1.00 0.00 H new ATOM 1056 N GLU A 68 20.891 2.693 0.840 1.00 0.00 N ATOM 1057 CA GLU A 68 21.668 1.738 1.617 1.00 0.00 C ATOM 1058 C GLU A 68 21.535 0.343 0.960 1.00 0.00 C ATOM 1059 O GLU A 68 22.474 -0.157 0.321 1.00 0.00 O ATOM 1060 CB GLU A 68 21.140 1.751 3.085 1.00 0.00 C ATOM 1061 CG GLU A 68 21.572 0.566 3.951 1.00 0.00 C ATOM 1062 CD GLU A 68 23.080 0.524 4.268 1.00 0.00 C ATOM 1063 OE1 GLU A 68 23.510 1.192 5.234 1.00 0.00 O ATOM 1064 OE2 GLU A 68 23.839 -0.172 3.555 1.00 0.00 O ATOM 0 H GLU A 68 20.055 2.281 0.426 1.00 0.00 H new ATOM 0 HA GLU A 68 22.726 2.000 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.475 2.671 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.051 1.783 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 68 21.017 0.596 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 68 21.294 -0.358 3.445 1.00 0.00 H new ATOM 1071 N ASP A 69 20.319 -0.226 1.087 1.00 0.00 N ATOM 1072 CA ASP A 69 20.029 -1.596 0.608 1.00 0.00 C ATOM 1073 C ASP A 69 18.525 -1.909 0.559 1.00 0.00 C ATOM 1074 O ASP A 69 18.042 -2.486 -0.423 1.00 0.00 O ATOM 1075 CB ASP A 69 20.776 -2.636 1.496 1.00 0.00 C ATOM 1076 CG ASP A 69 20.793 -4.048 0.885 1.00 0.00 C ATOM 1077 OD1 ASP A 69 21.416 -4.225 -0.185 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.229 -4.990 1.483 1.00 0.00 O ATOM 0 H ASP A 69 19.521 0.241 1.517 1.00 0.00 H new ATOM 0 HA ASP A 69 20.390 -1.661 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 69 21.802 -2.302 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.301 -2.676 2.476 1.00 0.00 H new ATOM 1083 N PHE A 70 17.772 -1.478 1.580 1.00 0.00 N ATOM 1084 CA PHE A 70 16.379 -1.943 1.804 1.00 0.00 C ATOM 1085 C PHE A 70 15.364 -0.819 1.523 1.00 0.00 C ATOM 1086 O PHE A 70 15.673 0.366 1.693 1.00 0.00 O ATOM 1087 CB PHE A 70 16.218 -2.483 3.262 1.00 0.00 C ATOM 1088 CG PHE A 70 16.680 -1.526 4.374 1.00 0.00 C ATOM 1089 CD1 PHE A 70 15.804 -0.597 4.950 1.00 0.00 C ATOM 1090 CD2 PHE A 70 17.997 -1.560 4.848 1.00 0.00 C ATOM 1091 CE1 PHE A 70 16.229 0.258 5.954 1.00 0.00 C ATOM 1092 CE2 PHE A 70 18.420 -0.704 5.851 1.00 0.00 C ATOM 1093 CZ PHE A 70 17.536 0.203 6.404 1.00 0.00 C ATOM 0 H PHE A 70 18.099 -0.804 2.273 1.00 0.00 H new ATOM 0 HA PHE A 70 16.174 -2.755 1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.168 -2.726 3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 70 16.778 -3.414 3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.781 -0.546 4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 70 18.695 -2.266 4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 70 15.539 0.968 6.386 1.00 0.00 H new ATOM 0 HE2 PHE A 70 19.441 -0.745 6.201 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.866 0.869 7.188 1.00 0.00 H new ATOM 1103 N LEU A 71 14.143 -1.221 1.103 1.00 0.00 N ATOM 1104 CA LEU A 71 13.005 -0.302 0.953 1.00 0.00 C ATOM 1105 C LEU A 71 12.105 -0.442 2.191 1.00 0.00 C ATOM 1106 O LEU A 71 11.502 -1.492 2.425 1.00 0.00 O ATOM 1107 CB LEU A 71 12.259 -0.495 -0.419 1.00 0.00 C ATOM 1108 CG LEU A 71 11.642 -1.896 -0.800 1.00 0.00 C ATOM 1109 CD1 LEU A 71 10.155 -2.023 -0.385 1.00 0.00 C ATOM 1110 CD2 LEU A 71 11.807 -2.184 -2.316 1.00 0.00 C ATOM 0 H LEU A 71 13.925 -2.188 0.861 1.00 0.00 H new ATOM 0 HA LEU A 71 13.356 0.729 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.449 0.234 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.961 -0.226 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 71 12.200 -2.644 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.780 -3.006 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.067 -1.901 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.570 -1.252 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.373 -3.156 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.298 -1.411 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.866 -2.188 -2.572 1.00 0.00 H new ATOM 1122 N ALA A 72 12.066 0.619 3.020 1.00 0.00 N ATOM 1123 CA ALA A 72 11.377 0.599 4.320 1.00 0.00 C ATOM 1124 C ALA A 72 10.017 1.295 4.218 1.00 0.00 C ATOM 1125 O ALA A 72 9.925 2.465 3.846 1.00 0.00 O ATOM 1126 CB ALA A 72 12.250 1.242 5.412 1.00 0.00 C ATOM 0 H ALA A 72 12.511 1.511 2.806 1.00 0.00 H new ATOM 0 HA ALA A 72 11.204 -0.440 4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.720 1.216 6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.185 0.690 5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.464 2.277 5.144 1.00 0.00 H new ATOM 1132 N VAL A 73 8.982 0.553 4.582 1.00 0.00 N ATOM 1133 CA VAL A 73 7.595 1.021 4.558 1.00 0.00 C ATOM 1134 C VAL A 73 7.252 1.560 5.941 1.00 0.00 C ATOM 1135 O VAL A 73 7.607 0.935 6.944 1.00 0.00 O ATOM 1136 CB VAL A 73 6.633 -0.146 4.151 1.00 0.00 C ATOM 1137 CG1 VAL A 73 5.143 0.293 4.094 1.00 0.00 C ATOM 1138 CG2 VAL A 73 7.097 -0.745 2.804 1.00 0.00 C ATOM 0 H VAL A 73 9.079 -0.408 4.909 1.00 0.00 H new ATOM 0 HA VAL A 73 7.475 1.813 3.818 1.00 0.00 H new ATOM 0 HB VAL A 73 6.686 -0.911 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.524 -0.557 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.832 0.653 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.027 1.091 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.429 -1.558 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.077 0.028 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.112 -1.129 2.907 1.00 0.00 H new ATOM 1148 N GLN A 74 6.543 2.695 5.999 1.00 0.00 N ATOM 1149 CA GLN A 74 6.270 3.366 7.270 1.00 0.00 C ATOM 1150 C GLN A 74 4.889 2.907 7.748 1.00 0.00 C ATOM 1151 O GLN A 74 3.871 3.509 7.403 1.00 0.00 O ATOM 1152 CB GLN A 74 6.349 4.916 7.118 1.00 0.00 C ATOM 1153 CG GLN A 74 6.353 5.661 8.469 1.00 0.00 C ATOM 1154 CD GLN A 74 7.583 5.325 9.330 1.00 0.00 C ATOM 1155 OE1 GLN A 74 8.682 5.104 8.814 1.00 0.00 O ATOM 1156 NE2 GLN A 74 7.399 5.229 10.636 1.00 0.00 N ATOM 0 H GLN A 74 6.151 3.164 5.182 1.00 0.00 H new ATOM 0 HA GLN A 74 7.023 3.099 8.012 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.252 5.175 6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.502 5.260 6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.325 6.735 8.287 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.448 5.408 9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.480 5.417 11.037 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.176 4.967 11.243 1.00 0.00 H new ATOM 1165 N THR A 75 4.877 1.794 8.498 1.00 0.00 N ATOM 1166 CA THR A 75 3.642 1.130 8.924 1.00 0.00 C ATOM 1167 C THR A 75 2.944 1.950 10.037 1.00 0.00 C ATOM 1168 O THR A 75 2.000 2.700 9.750 1.00 0.00 O ATOM 1169 CB THR A 75 3.933 -0.346 9.379 1.00 0.00 C ATOM 1170 OG1 THR A 75 4.973 -0.904 8.555 1.00 0.00 O ATOM 1171 CG2 THR A 75 2.680 -1.235 9.277 1.00 0.00 C ATOM 0 H THR A 75 5.725 1.331 8.825 1.00 0.00 H new ATOM 0 HA THR A 75 2.960 1.079 8.076 1.00 0.00 H new ATOM 0 HB THR A 75 4.244 -0.317 10.423 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.584 -1.552 7.931 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.924 -2.247 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.894 -0.830 9.914 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.334 -1.258 8.244 1.00 0.00 H new ATOM 1179 N SER A 76 3.461 1.844 11.285 1.00 0.00 N ATOM 1180 CA SER A 76 2.939 2.577 12.455 1.00 0.00 C ATOM 1181 C SER A 76 3.993 2.614 13.582 1.00 0.00 C ATOM 1182 O SER A 76 4.533 1.564 13.964 1.00 0.00 O ATOM 1183 CB SER A 76 1.635 1.924 12.991 1.00 0.00 C ATOM 1184 OG SER A 76 0.596 1.938 12.029 1.00 0.00 O ATOM 0 H SER A 76 4.256 1.244 11.505 1.00 0.00 H new ATOM 0 HA SER A 76 2.714 3.594 12.133 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.841 0.895 13.286 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.307 2.453 13.886 1.00 0.00 H new ATOM 0 HG SER A 76 0.927 2.334 11.196 1.00 0.00 H new ATOM 1190 N GLN A 77 4.279 3.823 14.099 1.00 0.00 N ATOM 1191 CA GLN A 77 5.083 4.004 15.323 1.00 0.00 C ATOM 1192 C GLN A 77 4.237 3.510 16.512 1.00 0.00 C ATOM 1193 O GLN A 77 3.412 4.258 17.055 1.00 0.00 O ATOM 1194 CB GLN A 77 5.518 5.498 15.535 1.00 0.00 C ATOM 1195 CG GLN A 77 6.615 6.051 14.584 1.00 0.00 C ATOM 1196 CD GLN A 77 6.126 6.507 13.197 1.00 0.00 C ATOM 1197 OE1 GLN A 77 5.160 5.987 12.642 1.00 0.00 O ATOM 1198 NE2 GLN A 77 6.812 7.489 12.622 1.00 0.00 N ATOM 0 H GLN A 77 3.961 4.698 13.683 1.00 0.00 H new ATOM 0 HA GLN A 77 6.006 3.430 15.236 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.633 6.127 15.435 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.871 5.606 16.560 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.103 6.895 15.073 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.373 5.280 14.447 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.610 7.904 13.104 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.541 7.828 11.699 1.00 0.00 H new ATOM 1207 N GLY A 78 4.408 2.226 16.877 1.00 0.00 N ATOM 1208 CA GLY A 78 3.542 1.556 17.843 1.00 0.00 C ATOM 1209 C GLY A 78 3.539 0.049 17.611 1.00 0.00 C ATOM 1210 O GLY A 78 3.495 -0.739 18.562 1.00 0.00 O ATOM 0 H GLY A 78 5.150 1.632 16.507 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.883 1.772 18.855 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.527 1.944 17.759 1.00 0.00 H new ATOM 1214 N VAL A 79 3.605 -0.350 16.322 1.00 0.00 N ATOM 1215 CA VAL A 79 3.672 -1.769 15.909 1.00 0.00 C ATOM 1216 C VAL A 79 5.121 -2.102 15.462 1.00 0.00 C ATOM 1217 O VAL A 79 5.884 -1.176 15.129 1.00 0.00 O ATOM 1218 CB VAL A 79 2.663 -2.088 14.732 1.00 0.00 C ATOM 1219 CG1 VAL A 79 1.227 -1.640 15.088 1.00 0.00 C ATOM 1220 CG2 VAL A 79 3.118 -1.489 13.369 1.00 0.00 C ATOM 0 H VAL A 79 3.613 0.303 15.538 1.00 0.00 H new ATOM 0 HA VAL A 79 3.388 -2.385 16.762 1.00 0.00 H new ATOM 0 HB VAL A 79 2.662 -3.171 14.610 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.557 -1.873 14.260 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.893 -2.165 15.983 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.216 -0.566 15.273 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.388 -1.740 12.600 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.196 -0.405 13.456 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.089 -1.902 13.096 1.00 0.00 H new ATOM 1230 N PRO A 80 5.541 -3.414 15.466 1.00 0.00 N ATOM 1231 CA PRO A 80 6.804 -3.845 14.810 1.00 0.00 C ATOM 1232 C PRO A 80 6.752 -3.578 13.278 1.00 0.00 C ATOM 1233 O PRO A 80 5.970 -4.207 12.551 1.00 0.00 O ATOM 1234 CB PRO A 80 6.893 -5.366 15.145 1.00 0.00 C ATOM 1235 CG PRO A 80 5.483 -5.766 15.467 1.00 0.00 C ATOM 1236 CD PRO A 80 4.852 -4.557 16.126 1.00 0.00 C ATOM 0 HA PRO A 80 7.681 -3.300 15.159 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.284 -5.935 14.302 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.559 -5.548 15.988 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.940 -6.047 14.564 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.464 -6.629 16.133 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.775 -4.526 15.964 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.012 -4.556 17.204 1.00 0.00 H new ATOM 1244 N VAL A 81 7.569 -2.612 12.820 1.00 0.00 N ATOM 1245 CA VAL A 81 7.623 -2.178 11.410 1.00 0.00 C ATOM 1246 C VAL A 81 8.734 -2.968 10.693 1.00 0.00 C ATOM 1247 O VAL A 81 9.857 -3.075 11.209 1.00 0.00 O ATOM 1248 CB VAL A 81 7.886 -0.626 11.310 1.00 0.00 C ATOM 1249 CG1 VAL A 81 8.047 -0.158 9.844 1.00 0.00 C ATOM 1250 CG2 VAL A 81 6.756 0.164 12.024 1.00 0.00 C ATOM 0 H VAL A 81 8.217 -2.105 13.423 1.00 0.00 H new ATOM 0 HA VAL A 81 6.665 -2.377 10.930 1.00 0.00 H new ATOM 0 HB VAL A 81 8.829 -0.420 11.816 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.226 0.917 9.823 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.891 -0.676 9.387 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.138 -0.385 9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.954 1.233 11.945 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.800 -0.064 11.554 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.720 -0.122 13.075 1.00 0.00 H new ATOM 1260 N ARG A 82 8.426 -3.522 9.507 1.00 0.00 N ATOM 1261 CA ARG A 82 9.345 -4.418 8.776 1.00 0.00 C ATOM 1262 C ARG A 82 9.839 -3.744 7.485 1.00 0.00 C ATOM 1263 O ARG A 82 9.055 -3.112 6.763 1.00 0.00 O ATOM 1264 CB ARG A 82 8.642 -5.769 8.451 1.00 0.00 C ATOM 1265 CG ARG A 82 8.161 -6.576 9.687 1.00 0.00 C ATOM 1266 CD ARG A 82 9.292 -6.890 10.695 1.00 0.00 C ATOM 1267 NE ARG A 82 8.861 -7.816 11.764 1.00 0.00 N ATOM 1268 CZ ARG A 82 9.397 -7.887 12.998 1.00 0.00 C ATOM 1269 NH1 ARG A 82 10.341 -7.042 13.386 1.00 0.00 N ATOM 1270 NH2 ARG A 82 8.968 -8.804 13.848 1.00 0.00 N ATOM 0 H ARG A 82 7.539 -3.364 9.029 1.00 0.00 H new ATOM 0 HA ARG A 82 10.208 -4.621 9.410 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.783 -5.569 7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.330 -6.390 7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.377 -6.015 10.195 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.715 -7.512 9.350 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.138 -7.325 10.162 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.642 -5.960 11.144 1.00 0.00 H new ATOM 0 HE ARG A 82 8.094 -8.454 11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.675 -6.321 12.746 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.734 -7.112 14.325 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.234 -9.455 13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.371 -8.861 14.783 1.00 0.00 H new ATOM 1284 N ARG A 83 11.154 -3.871 7.226 1.00 0.00 N ATOM 1285 CA ARG A 83 11.806 -3.395 5.998 1.00 0.00 C ATOM 1286 C ARG A 83 11.782 -4.514 4.942 1.00 0.00 C ATOM 1287 O ARG A 83 11.944 -5.694 5.267 1.00 0.00 O ATOM 1288 CB ARG A 83 13.269 -2.961 6.314 1.00 0.00 C ATOM 1289 CG ARG A 83 14.158 -4.086 6.915 1.00 0.00 C ATOM 1290 CD ARG A 83 15.540 -3.602 7.376 1.00 0.00 C ATOM 1291 NE ARG A 83 16.325 -4.702 7.984 1.00 0.00 N ATOM 1292 CZ ARG A 83 16.948 -4.657 9.173 1.00 0.00 C ATOM 1293 NH1 ARG A 83 16.939 -3.551 9.921 1.00 0.00 N ATOM 1294 NH2 ARG A 83 17.589 -5.733 9.606 1.00 0.00 N ATOM 0 H ARG A 83 11.801 -4.315 7.877 1.00 0.00 H new ATOM 0 HA ARG A 83 11.270 -2.531 5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 83 13.734 -2.599 5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.244 -2.123 7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.639 -4.533 7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.288 -4.871 6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.085 -3.191 6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.422 -2.795 8.099 1.00 0.00 H new ATOM 0 HE ARG A 83 16.399 -5.570 7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.452 -2.717 9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.419 -3.540 10.821 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.605 -6.580 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.067 -5.714 10.507 1.00 0.00 H new ATOM 1308 N PHE A 84 11.552 -4.127 3.688 1.00 0.00 N ATOM 1309 CA PHE A 84 11.477 -5.043 2.531 1.00 0.00 C ATOM 1310 C PHE A 84 12.674 -4.826 1.608 1.00 0.00 C ATOM 1311 O PHE A 84 13.478 -3.919 1.833 1.00 0.00 O ATOM 1312 CB PHE A 84 10.120 -4.861 1.813 1.00 0.00 C ATOM 1313 CG PHE A 84 8.955 -5.102 2.754 1.00 0.00 C ATOM 1314 CD1 PHE A 84 8.612 -6.392 3.131 1.00 0.00 C ATOM 1315 CD2 PHE A 84 8.237 -4.047 3.299 1.00 0.00 C ATOM 1316 CE1 PHE A 84 7.586 -6.617 4.009 1.00 0.00 C ATOM 1317 CE2 PHE A 84 7.204 -4.276 4.178 1.00 0.00 C ATOM 1318 CZ PHE A 84 6.883 -5.565 4.533 1.00 0.00 C ATOM 0 H PHE A 84 11.408 -3.150 3.434 1.00 0.00 H new ATOM 0 HA PHE A 84 11.528 -6.079 2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.056 -3.853 1.404 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.057 -5.551 0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.161 -7.229 2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.493 -3.033 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.330 -7.628 4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.647 -3.446 4.588 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.075 -5.748 5.226 1.00 0.00 H new ATOM 1328 N GLN A 85 12.807 -5.664 0.571 1.00 0.00 N ATOM 1329 CA GLN A 85 14.058 -5.809 -0.207 1.00 0.00 C ATOM 1330 C GLN A 85 13.697 -5.434 -1.654 1.00 0.00 C ATOM 1331 O GLN A 85 14.355 -4.616 -2.306 1.00 0.00 O ATOM 1332 CB GLN A 85 14.594 -7.282 -0.145 1.00 0.00 C ATOM 1333 CG GLN A 85 15.261 -7.749 1.178 1.00 0.00 C ATOM 1334 CD GLN A 85 14.387 -7.667 2.438 1.00 0.00 C ATOM 1335 OE1 GLN A 85 13.600 -8.561 2.724 1.00 0.00 O ATOM 1336 NE2 GLN A 85 14.562 -6.613 3.234 1.00 0.00 N ATOM 0 H GLN A 85 12.051 -6.265 0.242 1.00 0.00 H new ATOM 0 HA GLN A 85 14.846 -5.172 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 85 13.761 -7.952 -0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.318 -7.410 -0.950 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.587 -8.782 1.053 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.157 -7.150 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 85 15.223 -5.882 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.035 -6.538 4.104 1.00 0.00 H new ATOM 1345 N THR A 86 12.603 -6.063 -2.113 1.00 0.00 N ATOM 1346 CA THR A 86 11.916 -5.772 -3.386 1.00 0.00 C ATOM 1347 C THR A 86 10.401 -5.570 -3.072 1.00 0.00 C ATOM 1348 O THR A 86 9.944 -5.970 -1.991 1.00 0.00 O ATOM 1349 CB THR A 86 12.137 -6.954 -4.397 1.00 0.00 C ATOM 1350 OG1 THR A 86 13.535 -7.270 -4.440 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.660 -6.633 -5.831 1.00 0.00 C ATOM 0 H THR A 86 12.155 -6.816 -1.590 1.00 0.00 H new ATOM 0 HA THR A 86 12.317 -4.870 -3.848 1.00 0.00 H new ATOM 0 HB THR A 86 11.541 -7.794 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.684 -8.008 -5.067 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.843 -7.492 -6.476 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.593 -6.409 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.207 -5.771 -6.212 1.00 0.00 H new ATOM 1359 N LEU A 87 9.631 -4.927 -3.979 1.00 0.00 N ATOM 1360 CA LEU A 87 8.161 -4.727 -3.801 1.00 0.00 C ATOM 1361 C LEU A 87 7.385 -6.073 -3.718 1.00 0.00 C ATOM 1362 O LEU A 87 6.298 -6.124 -3.138 1.00 0.00 O ATOM 1363 CB LEU A 87 7.594 -3.835 -4.943 1.00 0.00 C ATOM 1364 CG LEU A 87 8.141 -2.367 -4.990 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.630 -1.616 -6.241 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.802 -1.596 -3.688 1.00 0.00 C ATOM 0 H LEU A 87 9.998 -4.534 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 87 8.017 -4.219 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.811 -4.315 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.509 -3.797 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 87 9.227 -2.423 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.027 -0.601 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.961 -2.138 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.541 -1.579 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.195 -0.582 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.720 -1.558 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.252 -2.106 -2.836 1.00 0.00 H new ATOM 1378 N GLY A 88 7.946 -7.144 -4.329 1.00 0.00 N ATOM 1379 CA GLY A 88 7.441 -8.523 -4.144 1.00 0.00 C ATOM 1380 C GLY A 88 7.406 -8.969 -2.677 1.00 0.00 C ATOM 1381 O GLY A 88 6.505 -9.716 -2.273 1.00 0.00 O ATOM 0 H GLY A 88 8.749 -7.078 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.436 -8.593 -4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.069 -9.211 -4.710 1.00 0.00 H new ATOM 1385 N GLU A 89 8.398 -8.504 -1.888 1.00 0.00 N ATOM 1386 CA GLU A 89 8.457 -8.751 -0.429 1.00 0.00 C ATOM 1387 C GLU A 89 7.313 -8.015 0.294 1.00 0.00 C ATOM 1388 O GLU A 89 6.720 -8.553 1.236 1.00 0.00 O ATOM 1389 CB GLU A 89 9.821 -8.300 0.167 1.00 0.00 C ATOM 1390 CG GLU A 89 11.047 -9.063 -0.367 1.00 0.00 C ATOM 1391 CD GLU A 89 10.979 -10.582 -0.122 1.00 0.00 C ATOM 1392 OE1 GLU A 89 10.790 -11.007 1.045 1.00 0.00 O ATOM 1393 OE2 GLU A 89 11.119 -11.364 -1.091 1.00 0.00 O ATOM 0 H GLU A 89 9.178 -7.949 -2.241 1.00 0.00 H new ATOM 0 HA GLU A 89 8.348 -9.825 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.956 -7.238 -0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.783 -8.415 1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.142 -8.879 -1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.946 -8.667 0.105 1.00 0.00 H new ATOM 1400 N LEU A 90 7.017 -6.783 -0.169 1.00 0.00 N ATOM 1401 CA LEU A 90 5.978 -5.914 0.414 1.00 0.00 C ATOM 1402 C LEU A 90 4.598 -6.571 0.305 1.00 0.00 C ATOM 1403 O LEU A 90 3.986 -6.917 1.318 1.00 0.00 O ATOM 1404 CB LEU A 90 5.996 -4.533 -0.315 1.00 0.00 C ATOM 1405 CG LEU A 90 4.800 -3.560 -0.021 1.00 0.00 C ATOM 1406 CD1 LEU A 90 4.786 -3.110 1.447 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.809 -2.361 -0.995 1.00 0.00 C ATOM 0 H LEU A 90 7.497 -6.362 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 90 6.187 -5.762 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.922 -4.022 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.028 -4.717 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 90 3.873 -4.109 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.944 -2.437 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.687 -3.982 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.716 -2.591 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.970 -1.703 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.743 -1.810 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.720 -2.724 -2.019 1.00 0.00 H new ATOM 1419 N ILE A 91 4.148 -6.750 -0.945 1.00 0.00 N ATOM 1420 CA ILE A 91 2.835 -7.325 -1.280 1.00 0.00 C ATOM 1421 C ILE A 91 2.696 -8.751 -0.718 1.00 0.00 C ATOM 1422 O ILE A 91 1.634 -9.129 -0.214 1.00 0.00 O ATOM 1423 CB ILE A 91 2.633 -7.323 -2.844 1.00 0.00 C ATOM 1424 CG1 ILE A 91 2.922 -5.899 -3.435 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.222 -7.818 -3.245 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.086 -4.768 -2.863 1.00 0.00 C ATOM 0 H ILE A 91 4.695 -6.495 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 91 2.061 -6.710 -0.821 1.00 0.00 H new ATOM 0 HB ILE A 91 3.350 -8.025 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.975 -5.666 -3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.764 -5.934 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.125 -7.801 -4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.077 -8.836 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.468 -7.166 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.367 -3.830 -3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.030 -4.967 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.259 -4.694 -1.789 1.00 0.00 H new ATOM 1438 N GLY A 92 3.803 -9.508 -0.802 1.00 0.00 N ATOM 1439 CA GLY A 92 3.875 -10.871 -0.286 1.00 0.00 C ATOM 1440 C GLY A 92 3.523 -10.990 1.196 1.00 0.00 C ATOM 1441 O GLY A 92 2.588 -11.710 1.558 1.00 0.00 O ATOM 0 H GLY A 92 4.670 -9.185 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.199 -11.503 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.883 -11.256 -0.442 1.00 0.00 H new ATOM 1445 N LEU A 93 4.266 -10.255 2.036 1.00 0.00 N ATOM 1446 CA LEU A 93 4.102 -10.288 3.501 1.00 0.00 C ATOM 1447 C LEU A 93 2.743 -9.676 3.896 1.00 0.00 C ATOM 1448 O LEU A 93 1.998 -10.258 4.693 1.00 0.00 O ATOM 1449 CB LEU A 93 5.291 -9.537 4.191 1.00 0.00 C ATOM 1450 CG LEU A 93 5.487 -9.740 5.749 1.00 0.00 C ATOM 1451 CD1 LEU A 93 6.925 -9.375 6.190 1.00 0.00 C ATOM 1452 CD2 LEU A 93 4.463 -8.946 6.606 1.00 0.00 C ATOM 0 H LEU A 93 4.999 -9.619 1.721 1.00 0.00 H new ATOM 0 HA LEU A 93 4.115 -11.323 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.213 -9.841 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.166 -8.470 4.005 1.00 0.00 H new ATOM 0 HG LEU A 93 5.310 -10.801 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.025 -9.526 7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.639 -10.011 5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.125 -8.331 5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.653 -9.130 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.564 -7.881 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.452 -9.270 6.358 1.00 0.00 H new ATOM 1464 N TYR A 94 2.418 -8.521 3.298 1.00 0.00 N ATOM 1465 CA TYR A 94 1.268 -7.688 3.701 1.00 0.00 C ATOM 1466 C TYR A 94 -0.088 -8.241 3.208 1.00 0.00 C ATOM 1467 O TYR A 94 -1.136 -7.774 3.660 1.00 0.00 O ATOM 1468 CB TYR A 94 1.494 -6.227 3.215 1.00 0.00 C ATOM 1469 CG TYR A 94 2.353 -5.325 4.125 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.108 -5.833 5.187 1.00 0.00 C ATOM 1471 CD2 TYR A 94 2.389 -3.946 3.913 1.00 0.00 C ATOM 1472 CE1 TYR A 94 3.859 -4.996 5.992 1.00 0.00 C ATOM 1473 CE2 TYR A 94 3.142 -3.114 4.715 1.00 0.00 C ATOM 1474 CZ TYR A 94 3.872 -3.642 5.749 1.00 0.00 C ATOM 1475 OH TYR A 94 4.627 -2.814 6.542 1.00 0.00 O ATOM 0 H TYR A 94 2.946 -8.133 2.516 1.00 0.00 H new ATOM 0 HA TYR A 94 1.212 -7.708 4.789 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.961 -6.263 2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.520 -5.755 3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.105 -6.895 5.381 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.815 -3.521 3.103 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.434 -5.405 6.810 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.157 -2.050 4.529 1.00 0.00 H new ATOM 0 HH TYR A 94 4.924 -2.041 6.018 1.00 0.00 H new ATOM 1485 N ALA A 95 -0.081 -9.229 2.289 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.312 -9.975 1.924 1.00 0.00 C ATOM 1487 C ALA A 95 -1.861 -10.760 3.140 1.00 0.00 C ATOM 1488 O ALA A 95 -3.044 -11.093 3.203 1.00 0.00 O ATOM 1489 CB ALA A 95 -1.028 -10.916 0.741 1.00 0.00 C ATOM 0 H ALA A 95 0.755 -9.530 1.787 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.076 -9.260 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.937 -11.458 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.696 -10.332 -0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.249 -11.626 1.020 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.963 -11.025 4.100 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.303 -11.646 5.391 1.00 0.00 C ATOM 1497 C GLN A 96 -1.530 -10.516 6.417 1.00 0.00 C ATOM 1498 O GLN A 96 -0.798 -9.514 6.380 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.177 -12.602 5.890 1.00 0.00 C ATOM 1500 CG GLN A 96 0.056 -13.887 5.058 1.00 0.00 C ATOM 1501 CD GLN A 96 0.662 -13.640 3.673 1.00 0.00 C ATOM 1502 OE1 GLN A 96 -0.046 -13.502 2.670 1.00 0.00 O ATOM 1503 NE2 GLN A 96 1.986 -13.566 3.608 1.00 0.00 N ATOM 0 H GLN A 96 0.030 -10.813 4.002 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.203 -12.250 5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.757 -12.042 5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.407 -12.896 6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.714 -14.553 5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.895 -14.406 4.938 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.545 -13.684 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.444 -13.391 2.713 1.00 0.00 H new ATOM 1512 N PRO A 97 -2.568 -10.630 7.312 1.00 0.00 N ATOM 1513 CA PRO A 97 -2.709 -9.756 8.510 1.00 0.00 C ATOM 1514 C PRO A 97 -1.372 -9.611 9.290 1.00 0.00 C ATOM 1515 O PRO A 97 -0.810 -10.596 9.787 1.00 0.00 O ATOM 1516 CB PRO A 97 -3.793 -10.483 9.337 1.00 0.00 C ATOM 1517 CG PRO A 97 -4.666 -11.126 8.294 1.00 0.00 C ATOM 1518 CD PRO A 97 -3.729 -11.560 7.183 1.00 0.00 C ATOM 0 HA PRO A 97 -2.979 -8.729 8.262 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.356 -11.224 10.006 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.357 -9.787 9.958 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.205 -11.979 8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.414 -10.425 7.924 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.424 -12.600 7.301 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.202 -11.476 6.205 1.00 0.00 H new ATOM 1526 N ASN A 98 -0.883 -8.370 9.357 1.00 0.00 N ATOM 1527 CA ASN A 98 0.505 -8.071 9.746 1.00 0.00 C ATOM 1528 C ASN A 98 0.571 -7.392 11.128 1.00 0.00 C ATOM 1529 O ASN A 98 1.120 -7.992 12.057 1.00 0.00 O ATOM 1530 CB ASN A 98 1.231 -7.224 8.641 1.00 0.00 C ATOM 1531 CG ASN A 98 0.598 -5.857 8.347 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -0.622 -5.688 8.411 1.00 0.00 O ATOM 1533 ND2 ASN A 98 1.424 -4.854 8.066 1.00 0.00 N ATOM 0 H ASN A 98 -1.436 -7.540 9.143 1.00 0.00 H new ATOM 0 HA ASN A 98 1.038 -9.018 9.833 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.266 -7.070 8.945 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.253 -7.803 7.718 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.052 -3.919 7.898 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.429 -5.019 8.019 1.00 0.00 H new ATOM 1540 N GLN A 99 -0.117 -6.224 11.250 1.00 0.00 N ATOM 1541 CA GLN A 99 0.070 -5.139 12.259 1.00 0.00 C ATOM 1542 C GLN A 99 0.207 -3.811 11.494 1.00 0.00 C ATOM 1543 O GLN A 99 1.263 -3.538 10.911 1.00 0.00 O ATOM 1544 CB GLN A 99 1.282 -5.308 13.240 1.00 0.00 C ATOM 1545 CG GLN A 99 0.978 -6.154 14.500 1.00 0.00 C ATOM 1546 CD GLN A 99 0.108 -5.461 15.560 1.00 0.00 C ATOM 1547 OE1 GLN A 99 -0.730 -4.607 15.259 1.00 0.00 O ATOM 1548 NE2 GLN A 99 0.287 -5.844 16.819 1.00 0.00 N ATOM 0 H GLN A 99 -0.871 -5.998 10.601 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.804 -5.173 12.909 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.108 -5.769 12.699 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.619 -4.320 13.554 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.481 -7.073 14.190 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.923 -6.443 14.961 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.986 -6.552 17.042 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.275 -5.430 17.563 1.00 0.00 H new ATOM 1557 N GLY A 100 -0.873 -3.006 11.471 1.00 0.00 N ATOM 1558 CA GLY A 100 -0.858 -1.677 10.843 1.00 0.00 C ATOM 1559 C GLY A 100 -1.878 -1.526 9.717 1.00 0.00 C ATOM 1560 O GLY A 100 -2.507 -0.471 9.588 1.00 0.00 O ATOM 0 H GLY A 100 -1.771 -3.258 11.884 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.054 -0.922 11.604 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.139 -1.481 10.449 1.00 0.00 H new ATOM 1564 N LEU A 101 -2.040 -2.575 8.894 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.962 -2.541 7.731 1.00 0.00 C ATOM 1566 C LEU A 101 -4.439 -2.496 8.158 1.00 0.00 C ATOM 1567 O LEU A 101 -4.809 -3.017 9.215 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.723 -3.736 6.781 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.395 -3.693 5.962 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.231 -4.959 5.123 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -1.310 -2.435 5.069 1.00 0.00 C ATOM 0 H LEU A 101 -1.547 -3.461 9.007 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.740 -1.619 7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.736 -4.653 7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.558 -3.794 6.082 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.576 -3.643 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.298 -4.905 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.210 -5.830 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.067 -5.047 4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.371 -2.444 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.144 -2.430 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.355 -1.542 5.693 1.00 0.00 H new ATOM 1583 N VAL A 102 -5.256 -1.863 7.302 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.694 -1.686 7.518 1.00 0.00 C ATOM 1585 C VAL A 102 -7.458 -3.044 7.533 1.00 0.00 C ATOM 1586 O VAL A 102 -8.375 -3.222 8.338 1.00 0.00 O ATOM 1587 CB VAL A 102 -7.279 -0.691 6.442 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -7.136 -1.228 4.995 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -8.729 -0.282 6.769 1.00 0.00 C ATOM 0 H VAL A 102 -4.927 -1.454 6.427 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.839 -1.250 8.506 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.672 0.213 6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.554 -0.504 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.082 -1.385 4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.671 -2.173 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.095 0.403 6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.361 -1.170 6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.758 0.210 7.741 1.00 0.00 H new ATOM 1599 N CYS A 103 -7.035 -4.004 6.677 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.679 -5.341 6.567 1.00 0.00 C ATOM 1601 C CYS A 103 -6.776 -6.334 5.796 1.00 0.00 C ATOM 1602 O CYS A 103 -7.260 -7.359 5.295 1.00 0.00 O ATOM 1603 CB CYS A 103 -9.045 -5.195 5.860 1.00 0.00 C ATOM 1604 SG CYS A 103 -10.030 -6.697 5.794 1.00 0.00 S ATOM 0 H CYS A 103 -6.244 -3.878 6.046 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.829 -5.741 7.570 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.621 -4.423 6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.875 -4.845 4.842 1.00 0.00 H new ATOM 0 HG CYS A 103 -11.259 -6.397 5.493 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.458 -6.017 5.741 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.461 -6.705 4.885 1.00 0.00 C ATOM 1612 C ALA A 104 -4.669 -6.334 3.400 1.00 0.00 C ATOM 1613 O ALA A 104 -5.669 -5.693 3.035 1.00 0.00 O ATOM 1614 CB ALA A 104 -4.421 -8.241 5.102 1.00 0.00 C ATOM 0 H ALA A 104 -5.053 -5.265 6.299 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.479 -6.346 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.671 -8.682 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.166 -8.455 6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.398 -8.666 4.874 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.693 -6.684 2.554 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.755 -6.435 1.112 1.00 0.00 C ATOM 1622 C LEU A 105 -4.604 -7.531 0.433 1.00 0.00 C ATOM 1623 O LEU A 105 -4.114 -8.640 0.190 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.312 -6.380 0.526 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.345 -5.298 1.119 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -0.069 -5.154 0.249 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.045 -3.933 1.319 1.00 0.00 C ATOM 0 H LEU A 105 -2.836 -7.149 2.853 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.231 -5.473 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.852 -7.358 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.389 -6.214 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.044 -5.646 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.584 -4.397 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.456 -6.108 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.349 -4.855 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.335 -3.217 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.412 -3.568 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.882 -4.051 2.007 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.886 -7.212 0.160 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.885 -8.191 -0.335 1.00 0.00 C ATOM 1641 C LEU A 106 -6.987 -8.200 -1.878 1.00 0.00 C ATOM 1642 O LEU A 106 -7.010 -9.276 -2.491 1.00 0.00 O ATOM 1643 CB LEU A 106 -8.282 -7.896 0.292 1.00 0.00 C ATOM 1644 CG LEU A 106 -8.369 -7.975 1.855 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -9.796 -7.641 2.353 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -7.894 -9.351 2.382 1.00 0.00 C ATOM 0 H LEU A 106 -6.261 -6.270 0.275 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.546 -9.180 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.593 -6.899 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.001 -8.599 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.693 -7.222 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -9.826 -7.704 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -10.063 -6.632 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.505 -8.352 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.968 -9.370 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.521 -10.138 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.858 -9.516 2.086 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.067 -7.009 -2.506 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.288 -6.877 -3.970 1.00 0.00 C ATOM 1660 C LEU A 107 -6.454 -5.714 -4.555 1.00 0.00 C ATOM 1661 O LEU A 107 -6.673 -4.568 -4.179 1.00 0.00 O ATOM 1662 CB LEU A 107 -8.799 -6.635 -4.267 1.00 0.00 C ATOM 1663 CG LEU A 107 -9.173 -6.402 -5.771 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -8.850 -7.635 -6.643 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -10.644 -5.977 -5.915 1.00 0.00 C ATOM 0 H LEU A 107 -6.982 -6.115 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.969 -7.806 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.363 -7.493 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.128 -5.769 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.553 -5.584 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.125 -7.431 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.783 -7.851 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.414 -8.495 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.876 -5.822 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.289 -6.758 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.810 -5.050 -5.367 1.00 0.00 H new ATOM 1677 N PRO A 108 -5.476 -5.985 -5.483 1.00 0.00 N ATOM 1678 CA PRO A 108 -4.724 -4.915 -6.178 1.00 0.00 C ATOM 1679 C PRO A 108 -5.554 -4.284 -7.312 1.00 0.00 C ATOM 1680 O PRO A 108 -6.232 -5.000 -8.067 1.00 0.00 O ATOM 1681 CB PRO A 108 -3.477 -5.654 -6.710 1.00 0.00 C ATOM 1682 CG PRO A 108 -3.928 -7.064 -6.928 1.00 0.00 C ATOM 1683 CD PRO A 108 -5.019 -7.335 -5.902 1.00 0.00 C ATOM 0 HA PRO A 108 -4.471 -4.076 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.118 -5.206 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.656 -5.608 -5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.307 -7.197 -7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.098 -7.760 -6.804 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.835 -7.915 -6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.636 -7.905 -5.056 1.00 0.00 H new ATOM 1691 N VAL A 109 -5.528 -2.943 -7.418 1.00 0.00 N ATOM 1692 CA VAL A 109 -6.238 -2.207 -8.464 1.00 0.00 C ATOM 1693 C VAL A 109 -5.223 -1.801 -9.556 1.00 0.00 C ATOM 1694 O VAL A 109 -5.087 -2.550 -10.547 1.00 0.00 O ATOM 1695 CB VAL A 109 -6.977 -0.938 -7.876 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -7.896 -0.279 -8.933 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -7.772 -1.307 -6.605 1.00 0.00 C ATOM 1698 OXT VAL A 109 -4.528 -0.761 -9.402 1.00 0.00 O ATOM 0 H VAL A 109 -5.010 -2.343 -6.775 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.007 -2.847 -8.897 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.216 -0.208 -7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.388 0.590 -8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.299 0.035 -9.789 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.649 -0.997 -9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.272 -0.419 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.516 -2.065 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.090 -1.698 -5.850 1.00 0.00 H new TER 1708 VAL A 109