USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 740 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 79 LYS NZ :NH3+ 170:sc= -0.509 (180deg=-0.0227) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.509 K(o=-1,f=-1.9!) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= -0.0528 USER MOD Set 2.2: A 71 GLN : amide:sc= -1.54 K(o=-1.6,f=-2.5!) USER MOD Set 3.1: A 63 ASN : amide:sc= 0.0137 X(o=0.04,f=0.012) USER MOD Set 3.2: A 65 SER OG : rot 109:sc= 0.0261 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 31:sc= 0.023 USER MOD Single : A 9 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.071) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.089 K(o=-0.089,f=-1.9!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 171:sc= 0 (180deg=-0.106) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -177:sc= -0.235 (180deg=-0.255) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 101:sc= -2.06! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0011 USER MOD Single : A 49 THR OG1 : rot -30:sc= -2.39 USER MOD Single : A 53 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-3.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0 USER MOD Single : A 69 MET CE :methyl 167:sc= -3.36 (180deg=-3.44) USER MOD Single : A 75 ASN : amide:sc= -2.15 X(o=-2.2,f=-1.8) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 14:sc= 0.0766 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.204 -4.907 14.189 1.00 0.00 N ATOM 2 CA GLY A 1 18.900 -3.841 14.962 1.00 0.00 C ATOM 3 C GLY A 1 18.135 -3.430 16.204 1.00 0.00 C ATOM 4 O GLY A 1 17.596 -2.326 16.272 1.00 0.00 O ATOM 0 H1 GLY A 1 18.768 -5.152 13.350 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.088 -5.750 14.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.269 -4.564 13.889 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.891 -4.193 15.250 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.045 -2.970 14.323 1.00 0.00 H new ATOM 10 N SER A 2 18.088 -4.323 17.190 1.00 0.00 N ATOM 11 CA SER A 2 17.383 -4.054 18.440 1.00 0.00 C ATOM 12 C SER A 2 15.874 -4.002 18.218 1.00 0.00 C ATOM 13 O SER A 2 15.136 -4.854 18.712 1.00 0.00 O ATOM 14 CB SER A 2 17.866 -2.736 19.054 1.00 0.00 C ATOM 15 OG SER A 2 17.942 -2.829 20.466 1.00 0.00 O ATOM 0 H SER A 2 18.531 -5.241 17.147 1.00 0.00 H new ATOM 0 HA SER A 2 17.602 -4.869 19.130 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.846 -2.480 18.650 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.186 -1.931 18.775 1.00 0.00 H new ATOM 0 HG SER A 2 18.254 -1.976 20.834 1.00 0.00 H new ATOM 21 N SER A 3 15.423 -2.999 17.473 1.00 0.00 N ATOM 22 CA SER A 3 14.003 -2.836 17.186 1.00 0.00 C ATOM 23 C SER A 3 13.214 -2.583 18.467 1.00 0.00 C ATOM 24 O SER A 3 12.752 -3.520 19.118 1.00 0.00 O ATOM 25 CB SER A 3 13.458 -4.077 16.475 1.00 0.00 C ATOM 26 OG SER A 3 12.364 -3.746 15.637 1.00 0.00 O ATOM 0 H SER A 3 16.021 -2.286 17.056 1.00 0.00 H new ATOM 0 HA SER A 3 13.888 -1.971 16.532 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.249 -4.536 15.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.144 -4.815 17.214 1.00 0.00 H new ATOM 0 HG SER A 3 12.035 -4.556 15.193 1.00 0.00 H new ATOM 32 N GLY A 4 13.063 -1.312 18.821 1.00 0.00 N ATOM 33 CA GLY A 4 12.330 -0.957 20.022 1.00 0.00 C ATOM 34 C GLY A 4 12.253 0.542 20.235 1.00 0.00 C ATOM 35 O GLY A 4 13.266 1.192 20.493 1.00 0.00 O ATOM 0 H GLY A 4 13.436 -0.520 18.297 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.321 -1.364 19.961 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.809 -1.419 20.885 1.00 0.00 H new ATOM 39 N SER A 5 11.048 1.092 20.125 1.00 0.00 N ATOM 40 CA SER A 5 10.843 2.525 20.307 1.00 0.00 C ATOM 41 C SER A 5 9.556 2.797 21.079 1.00 0.00 C ATOM 42 O SER A 5 8.490 2.295 20.723 1.00 0.00 O ATOM 43 CB SER A 5 10.798 3.230 18.950 1.00 0.00 C ATOM 44 OG SER A 5 10.346 2.353 17.933 1.00 0.00 O ATOM 0 H SER A 5 10.199 0.568 19.911 1.00 0.00 H new ATOM 0 HA SER A 5 11.680 2.917 20.885 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.137 4.095 19.008 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.791 3.603 18.698 1.00 0.00 H new ATOM 0 HG SER A 5 10.325 2.829 17.076 1.00 0.00 H new ATOM 50 N SER A 6 9.663 3.595 22.136 1.00 0.00 N ATOM 51 CA SER A 6 8.508 3.935 22.958 1.00 0.00 C ATOM 52 C SER A 6 8.637 5.346 23.522 1.00 0.00 C ATOM 53 O SER A 6 9.649 5.690 24.131 1.00 0.00 O ATOM 54 CB SER A 6 8.354 2.929 24.101 1.00 0.00 C ATOM 55 OG SER A 6 7.500 1.862 23.730 1.00 0.00 O ATOM 0 H SER A 6 10.538 4.019 22.444 1.00 0.00 H new ATOM 0 HA SER A 6 7.621 3.895 22.326 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.332 2.536 24.378 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.952 3.432 24.980 1.00 0.00 H new ATOM 0 HG SER A 6 7.576 1.702 22.766 1.00 0.00 H new ATOM 61 N GLY A 7 7.605 6.158 23.313 1.00 0.00 N ATOM 62 CA GLY A 7 7.624 7.522 23.806 1.00 0.00 C ATOM 63 C GLY A 7 7.209 8.527 22.749 1.00 0.00 C ATOM 64 O GLY A 7 6.804 8.148 21.650 1.00 0.00 O ATOM 0 H GLY A 7 6.757 5.895 22.811 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.956 7.604 24.663 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.627 7.764 24.159 1.00 0.00 H new ATOM 68 N LEU A 8 7.309 9.809 23.082 1.00 0.00 N ATOM 69 CA LEU A 8 6.940 10.871 22.152 1.00 0.00 C ATOM 70 C LEU A 8 8.138 11.296 21.308 1.00 0.00 C ATOM 71 O LEU A 8 9.280 10.957 21.620 1.00 0.00 O ATOM 72 CB LEU A 8 6.385 12.076 22.913 1.00 0.00 C ATOM 73 CG LEU A 8 5.139 11.792 23.757 1.00 0.00 C ATOM 74 CD1 LEU A 8 5.519 11.563 25.211 1.00 0.00 C ATOM 75 CD2 LEU A 8 4.142 12.936 23.638 1.00 0.00 C ATOM 0 H LEU A 8 7.642 10.138 23.988 1.00 0.00 H new ATOM 0 HA LEU A 8 6.168 10.484 21.487 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.166 12.465 23.566 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.148 12.862 22.196 1.00 0.00 H new ATOM 0 HG LEU A 8 4.668 10.885 23.379 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.620 11.363 25.795 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.194 10.710 25.281 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.015 12.452 25.602 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.263 12.717 24.244 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.604 13.859 23.989 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.844 13.052 22.596 1.00 0.00 H new ATOM 87 N GLN A 9 7.869 12.038 20.239 1.00 0.00 N ATOM 88 CA GLN A 9 8.924 12.509 19.350 1.00 0.00 C ATOM 89 C GLN A 9 8.921 14.032 19.261 1.00 0.00 C ATOM 90 O GLN A 9 7.907 14.677 19.529 1.00 0.00 O ATOM 91 CB GLN A 9 8.752 11.905 17.955 1.00 0.00 C ATOM 92 CG GLN A 9 9.127 10.435 17.877 1.00 0.00 C ATOM 93 CD GLN A 9 10.480 10.212 17.229 1.00 0.00 C ATOM 94 OE1 GLN A 9 11.334 9.510 17.773 1.00 0.00 O ATOM 95 NE2 GLN A 9 10.681 10.808 16.061 1.00 0.00 N ATOM 0 H GLN A 9 6.929 12.326 19.967 1.00 0.00 H new ATOM 0 HA GLN A 9 9.881 12.189 19.762 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.714 12.024 17.643 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.364 12.465 17.248 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.135 10.012 18.882 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.365 9.899 17.312 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.945 11.381 15.647 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.571 10.694 15.577 1.00 0.00 H new ATOM 104 N GLN A 10 10.062 14.600 18.884 1.00 0.00 N ATOM 105 CA GLN A 10 10.191 16.046 18.759 1.00 0.00 C ATOM 106 C GLN A 10 9.333 16.572 17.613 1.00 0.00 C ATOM 107 O GLN A 10 9.735 16.524 16.450 1.00 0.00 O ATOM 108 CB GLN A 10 11.655 16.432 18.535 1.00 0.00 C ATOM 109 CG GLN A 10 12.524 16.265 19.770 1.00 0.00 C ATOM 110 CD GLN A 10 13.293 17.524 20.119 1.00 0.00 C ATOM 111 OE1 GLN A 10 14.481 17.643 19.818 1.00 0.00 O ATOM 112 NE2 GLN A 10 12.618 18.473 20.757 1.00 0.00 N ATOM 0 H GLN A 10 10.910 14.080 18.660 1.00 0.00 H new ATOM 0 HA GLN A 10 9.842 16.498 19.687 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.063 15.823 17.729 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.702 17.470 18.206 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.897 15.981 20.615 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.227 15.448 19.607 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.634 18.332 20.987 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.083 19.343 21.017 1.00 0.00 H new ATOM 121 N GLN A 11 8.149 17.075 17.949 1.00 0.00 N ATOM 122 CA GLN A 11 7.233 17.611 16.950 1.00 0.00 C ATOM 123 C GLN A 11 6.781 16.519 15.984 1.00 0.00 C ATOM 124 O GLN A 11 7.570 15.664 15.585 1.00 0.00 O ATOM 125 CB GLN A 11 7.897 18.752 16.175 1.00 0.00 C ATOM 126 CG GLN A 11 6.975 19.933 15.922 1.00 0.00 C ATOM 127 CD GLN A 11 7.734 21.210 15.617 1.00 0.00 C ATOM 128 OE1 GLN A 11 8.939 21.301 15.854 1.00 0.00 O ATOM 129 NE2 GLN A 11 7.031 22.205 15.087 1.00 0.00 N ATOM 0 H GLN A 11 7.802 17.122 18.907 1.00 0.00 H new ATOM 0 HA GLN A 11 6.356 17.998 17.469 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.771 19.096 16.729 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.255 18.370 15.219 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.313 19.700 15.088 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.343 20.090 16.796 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.034 22.086 14.907 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.488 23.088 14.860 1.00 0.00 H new ATOM 138 N GLU A 12 5.505 16.555 15.614 1.00 0.00 N ATOM 139 CA GLU A 12 4.948 15.569 14.695 1.00 0.00 C ATOM 140 C GLU A 12 5.007 16.071 13.256 1.00 0.00 C ATOM 141 O GLU A 12 4.989 17.277 13.008 1.00 0.00 O ATOM 142 CB GLU A 12 3.502 15.245 15.077 1.00 0.00 C ATOM 143 CG GLU A 12 3.371 14.522 16.407 1.00 0.00 C ATOM 144 CD GLU A 12 2.456 13.316 16.329 1.00 0.00 C ATOM 145 OE1 GLU A 12 1.438 13.388 15.609 1.00 0.00 O ATOM 146 OE2 GLU A 12 2.756 12.299 16.990 1.00 0.00 O ATOM 0 H GLU A 12 4.838 17.256 15.936 1.00 0.00 H new ATOM 0 HA GLU A 12 5.548 14.662 14.768 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.930 16.172 15.119 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.057 14.631 14.294 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.358 14.203 16.741 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.989 15.215 17.157 1.00 0.00 H new ATOM 153 N GLU A 13 5.076 15.139 12.312 1.00 0.00 N ATOM 154 CA GLU A 13 5.138 15.487 10.897 1.00 0.00 C ATOM 155 C GLU A 13 4.723 14.305 10.027 1.00 0.00 C ATOM 156 O GLU A 13 5.551 13.473 9.658 1.00 0.00 O ATOM 157 CB GLU A 13 6.550 15.940 10.523 1.00 0.00 C ATOM 158 CG GLU A 13 7.631 14.944 10.910 1.00 0.00 C ATOM 159 CD GLU A 13 8.860 15.614 11.491 1.00 0.00 C ATOM 160 OE1 GLU A 13 8.702 16.616 12.219 1.00 0.00 O ATOM 161 OE2 GLU A 13 9.982 15.136 11.218 1.00 0.00 O ATOM 0 H GLU A 13 5.090 14.137 12.501 1.00 0.00 H new ATOM 0 HA GLU A 13 4.442 16.307 10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.594 16.112 9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.757 16.894 11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.227 14.240 11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.918 14.365 10.032 1.00 0.00 H new ATOM 168 N GLU A 14 3.435 14.238 9.704 1.00 0.00 N ATOM 169 CA GLU A 14 2.910 13.157 8.877 1.00 0.00 C ATOM 170 C GLU A 14 2.273 13.708 7.604 1.00 0.00 C ATOM 171 O GLU A 14 1.072 13.974 7.564 1.00 0.00 O ATOM 172 CB GLU A 14 1.886 12.336 9.666 1.00 0.00 C ATOM 173 CG GLU A 14 2.215 10.854 9.730 1.00 0.00 C ATOM 174 CD GLU A 14 1.499 10.147 10.865 1.00 0.00 C ATOM 175 OE1 GLU A 14 0.251 10.131 10.860 1.00 0.00 O ATOM 176 OE2 GLU A 14 2.188 9.612 11.758 1.00 0.00 O ATOM 0 H GLU A 14 2.736 14.919 10.002 1.00 0.00 H new ATOM 0 HA GLU A 14 3.740 12.510 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.821 12.729 10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.903 12.462 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.943 10.384 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.291 10.729 9.850 1.00 0.00 H new ATOM 183 N THR A 15 3.086 13.874 6.566 1.00 0.00 N ATOM 184 CA THR A 15 2.602 14.393 5.291 1.00 0.00 C ATOM 185 C THR A 15 2.698 13.331 4.201 1.00 0.00 C ATOM 186 O THR A 15 1.735 13.082 3.476 1.00 0.00 O ATOM 187 CB THR A 15 3.401 15.631 4.884 1.00 0.00 C ATOM 188 OG1 THR A 15 3.910 16.297 6.026 1.00 0.00 O ATOM 189 CG2 THR A 15 2.591 16.633 4.091 1.00 0.00 C ATOM 0 H THR A 15 4.083 13.657 6.582 1.00 0.00 H new ATOM 0 HA THR A 15 1.555 14.670 5.413 1.00 0.00 H new ATOM 0 HB THR A 15 4.207 15.259 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.420 17.085 5.745 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.218 17.487 3.835 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.226 16.164 3.177 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.745 16.971 4.689 1.00 0.00 H new ATOM 197 N TYR A 16 3.867 12.709 4.089 1.00 0.00 N ATOM 198 CA TYR A 16 4.090 11.674 3.086 1.00 0.00 C ATOM 199 C TYR A 16 3.907 12.233 1.678 1.00 0.00 C ATOM 200 O TYR A 16 3.367 11.563 0.799 1.00 0.00 O ATOM 201 CB TYR A 16 3.132 10.502 3.311 1.00 0.00 C ATOM 202 CG TYR A 16 3.281 9.850 4.667 1.00 0.00 C ATOM 203 CD1 TYR A 16 4.527 9.445 5.131 1.00 0.00 C ATOM 204 CD2 TYR A 16 2.177 9.638 5.482 1.00 0.00 C ATOM 205 CE1 TYR A 16 4.668 8.848 6.370 1.00 0.00 C ATOM 206 CE2 TYR A 16 2.309 9.043 6.722 1.00 0.00 C ATOM 207 CZ TYR A 16 3.556 8.649 7.161 1.00 0.00 C ATOM 208 OH TYR A 16 3.692 8.056 8.395 1.00 0.00 O ATOM 0 H TYR A 16 4.675 12.904 4.681 1.00 0.00 H new ATOM 0 HA TYR A 16 5.116 11.320 3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.107 10.855 3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.299 9.753 2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.399 9.599 4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.199 9.943 5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.643 8.539 6.716 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.440 8.887 7.344 1.00 0.00 H new ATOM 0 HH TYR A 16 2.814 7.990 8.825 1.00 0.00 H new ATOM 218 N ALA A 17 4.363 13.464 1.474 1.00 0.00 N ATOM 219 CA ALA A 17 4.250 14.115 0.175 1.00 0.00 C ATOM 220 C ALA A 17 5.028 13.352 -0.892 1.00 0.00 C ATOM 221 O ALA A 17 4.660 13.357 -2.067 1.00 0.00 O ATOM 222 CB ALA A 17 4.739 15.553 0.260 1.00 0.00 C ATOM 0 H ALA A 17 4.814 14.031 2.192 1.00 0.00 H new ATOM 0 HA ALA A 17 3.198 14.117 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.649 16.026 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.136 16.100 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.783 15.564 0.573 1.00 0.00 H new ATOM 228 N ASP A 18 6.107 12.697 -0.475 1.00 0.00 N ATOM 229 CA ASP A 18 6.938 11.930 -1.396 1.00 0.00 C ATOM 230 C ASP A 18 6.586 10.446 -1.342 1.00 0.00 C ATOM 231 O ASP A 18 7.442 9.588 -1.555 1.00 0.00 O ATOM 232 CB ASP A 18 8.418 12.127 -1.065 1.00 0.00 C ATOM 233 CG ASP A 18 9.035 13.279 -1.835 1.00 0.00 C ATOM 234 OD1 ASP A 18 8.645 14.439 -1.582 1.00 0.00 O ATOM 235 OD2 ASP A 18 9.907 13.021 -2.691 1.00 0.00 O ATOM 0 H ASP A 18 6.426 12.682 0.494 1.00 0.00 H new ATOM 0 HA ASP A 18 6.747 12.293 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.527 12.309 0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.963 11.210 -1.290 1.00 0.00 H new ATOM 240 N ALA A 19 5.322 10.152 -1.056 1.00 0.00 N ATOM 241 CA ALA A 19 4.859 8.772 -0.976 1.00 0.00 C ATOM 242 C ALA A 19 4.372 8.276 -2.333 1.00 0.00 C ATOM 243 O ALA A 19 3.557 8.927 -2.987 1.00 0.00 O ATOM 244 CB ALA A 19 3.752 8.647 0.061 1.00 0.00 C ATOM 0 H ALA A 19 4.601 10.850 -0.876 1.00 0.00 H new ATOM 0 HA ALA A 19 5.701 8.150 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.415 7.612 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.131 8.953 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.916 9.287 -0.220 1.00 0.00 H new ATOM 250 N CYS A 20 4.880 7.122 -2.753 1.00 0.00 N ATOM 251 CA CYS A 20 4.498 6.539 -4.034 1.00 0.00 C ATOM 252 C CYS A 20 3.088 5.962 -3.972 1.00 0.00 C ATOM 253 O CYS A 20 2.446 5.978 -2.921 1.00 0.00 O ATOM 254 CB CYS A 20 5.491 5.449 -4.439 1.00 0.00 C ATOM 255 SG CYS A 20 6.842 6.033 -5.490 1.00 0.00 S ATOM 0 H CYS A 20 5.557 6.572 -2.225 1.00 0.00 H new ATOM 0 HA CYS A 20 4.513 7.331 -4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.913 5.004 -3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.953 4.659 -4.963 1.00 0.00 H new ATOM 0 HG CYS A 20 7.629 5.039 -5.777 1.00 0.00 H new ATOM 261 N ASP A 21 2.612 5.453 -5.103 1.00 0.00 N ATOM 262 CA ASP A 21 1.278 4.870 -5.178 1.00 0.00 C ATOM 263 C ASP A 21 1.261 3.470 -4.572 1.00 0.00 C ATOM 264 O ASP A 21 0.260 3.043 -3.997 1.00 0.00 O ATOM 265 CB ASP A 21 0.802 4.815 -6.631 1.00 0.00 C ATOM 266 CG ASP A 21 1.687 3.940 -7.497 1.00 0.00 C ATOM 267 OD1 ASP A 21 1.532 2.702 -7.444 1.00 0.00 O ATOM 268 OD2 ASP A 21 2.535 4.493 -8.228 1.00 0.00 O ATOM 0 H ASP A 21 3.131 5.432 -5.981 1.00 0.00 H new ATOM 0 HA ASP A 21 0.600 5.503 -4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.220 4.437 -6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.780 5.824 -7.042 1.00 0.00 H new ATOM 273 N GLU A 22 2.376 2.760 -4.705 1.00 0.00 N ATOM 274 CA GLU A 22 2.491 1.407 -4.173 1.00 0.00 C ATOM 275 C GLU A 22 2.257 1.394 -2.665 1.00 0.00 C ATOM 276 O GLU A 22 1.744 0.420 -2.115 1.00 0.00 O ATOM 277 CB GLU A 22 3.871 0.826 -4.492 1.00 0.00 C ATOM 278 CG GLU A 22 3.834 -0.640 -4.894 1.00 0.00 C ATOM 279 CD GLU A 22 4.964 -1.015 -5.832 1.00 0.00 C ATOM 280 OE1 GLU A 22 5.321 -0.184 -6.693 1.00 0.00 O ATOM 281 OE2 GLU A 22 5.491 -2.141 -5.707 1.00 0.00 O ATOM 0 H GLU A 22 3.214 3.099 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 22 1.727 0.791 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.322 1.404 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.515 0.939 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.888 -1.260 -3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.880 -0.857 -5.375 1.00 0.00 H new ATOM 288 N PHE A 23 2.636 2.482 -2.003 1.00 0.00 N ATOM 289 CA PHE A 23 2.466 2.596 -0.559 1.00 0.00 C ATOM 290 C PHE A 23 1.142 3.271 -0.217 1.00 0.00 C ATOM 291 O PHE A 23 0.518 2.960 0.796 1.00 0.00 O ATOM 292 CB PHE A 23 3.626 3.386 0.053 1.00 0.00 C ATOM 293 CG PHE A 23 4.981 2.824 -0.275 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.194 1.455 -0.297 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.042 3.668 -0.560 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.441 0.938 -0.598 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.291 3.158 -0.860 1.00 0.00 C ATOM 298 CZ PHE A 23 7.490 1.791 -0.878 1.00 0.00 C ATOM 0 H PHE A 23 3.063 3.297 -2.443 1.00 0.00 H new ATOM 0 HA PHE A 23 2.459 1.590 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.576 4.417 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.505 3.411 1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.377 0.784 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.891 4.737 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.594 -0.131 -0.614 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.110 3.827 -1.080 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.465 1.390 -1.111 1.00 0.00 H new ATOM 308 N LEU A 24 0.720 4.198 -1.071 1.00 0.00 N ATOM 309 CA LEU A 24 -0.530 4.920 -0.860 1.00 0.00 C ATOM 310 C LEU A 24 -1.731 3.995 -1.035 1.00 0.00 C ATOM 311 O LEU A 24 -1.718 3.096 -1.876 1.00 0.00 O ATOM 312 CB LEU A 24 -0.635 6.098 -1.830 1.00 0.00 C ATOM 313 CG LEU A 24 0.222 7.312 -1.469 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.409 8.212 -2.680 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.410 8.085 -0.321 1.00 0.00 C ATOM 0 H LEU A 24 1.225 4.467 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.531 5.299 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.352 5.756 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.677 6.412 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 24 1.203 6.960 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.021 9.071 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.904 7.654 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.564 8.558 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.212 8.946 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.403 8.426 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.493 7.437 0.552 1.00 0.00 H new ATOM 327 N ASP A 25 -2.767 4.224 -0.236 1.00 0.00 N ATOM 328 CA ASP A 25 -3.978 3.414 -0.301 1.00 0.00 C ATOM 329 C ASP A 25 -4.889 3.890 -1.432 1.00 0.00 C ATOM 330 O ASP A 25 -5.031 5.092 -1.657 1.00 0.00 O ATOM 331 CB ASP A 25 -4.727 3.473 1.032 1.00 0.00 C ATOM 332 CG ASP A 25 -5.417 2.165 1.367 1.00 0.00 C ATOM 333 OD1 ASP A 25 -6.571 1.974 0.931 1.00 0.00 O ATOM 334 OD2 ASP A 25 -4.803 1.332 2.066 1.00 0.00 O ATOM 0 H ASP A 25 -2.793 4.965 0.465 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.687 2.383 -0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.027 3.725 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.468 4.272 0.994 1.00 0.00 H new ATOM 339 N PRO A 26 -5.523 2.954 -2.160 1.00 0.00 N ATOM 340 CA PRO A 26 -6.421 3.294 -3.268 1.00 0.00 C ATOM 341 C PRO A 26 -7.691 3.992 -2.793 1.00 0.00 C ATOM 342 O PRO A 26 -8.311 4.750 -3.540 1.00 0.00 O ATOM 343 CB PRO A 26 -6.760 1.935 -3.888 1.00 0.00 C ATOM 344 CG PRO A 26 -6.545 0.951 -2.791 1.00 0.00 C ATOM 345 CD PRO A 26 -5.415 1.496 -1.964 1.00 0.00 C ATOM 0 HA PRO A 26 -5.956 3.991 -3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.789 1.909 -4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.120 1.720 -4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.447 0.833 -2.190 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.297 -0.032 -3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.517 1.223 -0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.451 1.115 -2.300 1.00 0.00 H new ATOM 353 N ILE A 27 -8.074 3.734 -1.547 1.00 0.00 N ATOM 354 CA ILE A 27 -9.271 4.338 -0.974 1.00 0.00 C ATOM 355 C ILE A 27 -8.912 5.466 -0.013 1.00 0.00 C ATOM 356 O ILE A 27 -9.306 6.615 -0.213 1.00 0.00 O ATOM 357 CB ILE A 27 -10.124 3.296 -0.226 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.333 2.055 -1.097 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.461 3.897 0.179 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.796 0.842 -0.320 1.00 0.00 C ATOM 0 H ILE A 27 -7.572 3.110 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.849 4.742 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.594 2.997 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.067 2.283 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.399 1.816 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.052 3.148 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.292 4.752 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.999 4.222 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.923 0.001 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.052 0.588 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.746 1.062 0.166 1.00 0.00 H new ATOM 372 N MET A 28 -8.165 5.130 1.035 1.00 0.00 N ATOM 373 CA MET A 28 -7.755 6.114 2.030 1.00 0.00 C ATOM 374 C MET A 28 -6.872 7.191 1.405 1.00 0.00 C ATOM 375 O MET A 28 -6.830 8.325 1.883 1.00 0.00 O ATOM 376 CB MET A 28 -7.008 5.429 3.176 1.00 0.00 C ATOM 377 CG MET A 28 -7.926 4.755 4.182 1.00 0.00 C ATOM 378 SD MET A 28 -8.134 5.720 5.691 1.00 0.00 S ATOM 379 CE MET A 28 -9.598 6.669 5.286 1.00 0.00 C ATOM 0 H MET A 28 -7.832 4.183 1.216 1.00 0.00 H new ATOM 0 HA MET A 28 -8.653 6.591 2.422 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.328 4.685 2.762 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.396 6.168 3.693 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.901 4.590 3.724 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.523 3.775 4.435 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.948 7.195 6.174 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.359 7.392 4.506 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.380 5.998 4.931 1.00 0.00 H new ATOM 389 N SER A 29 -6.167 6.831 0.336 1.00 0.00 N ATOM 390 CA SER A 29 -5.286 7.769 -0.350 1.00 0.00 C ATOM 391 C SER A 29 -4.153 8.221 0.567 1.00 0.00 C ATOM 392 O SER A 29 -3.663 9.345 0.457 1.00 0.00 O ATOM 393 CB SER A 29 -6.077 8.985 -0.839 1.00 0.00 C ATOM 394 OG SER A 29 -5.602 9.429 -2.098 1.00 0.00 O ATOM 0 H SER A 29 -6.189 5.897 -0.073 1.00 0.00 H new ATOM 0 HA SER A 29 -4.853 7.258 -1.210 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.134 8.729 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.996 9.792 -0.111 1.00 0.00 H new ATOM 0 HG SER A 29 -6.124 10.205 -2.389 1.00 0.00 H new ATOM 400 N THR A 30 -3.742 7.338 1.471 1.00 0.00 N ATOM 401 CA THR A 30 -2.666 7.646 2.407 1.00 0.00 C ATOM 402 C THR A 30 -1.723 6.457 2.561 1.00 0.00 C ATOM 403 O THR A 30 -1.899 5.425 1.916 1.00 0.00 O ATOM 404 CB THR A 30 -3.243 8.035 3.768 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.037 6.988 4.296 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.101 9.281 3.720 1.00 0.00 C ATOM 0 H THR A 30 -4.137 6.404 1.576 1.00 0.00 H new ATOM 0 HA THR A 30 -2.099 8.487 2.008 1.00 0.00 H new ATOM 0 HB THR A 30 -2.378 8.232 4.401 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.395 7.257 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.479 9.501 4.718 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.504 10.121 3.365 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.939 9.120 3.042 1.00 0.00 H new ATOM 414 N LEU A 31 -0.722 6.611 3.422 1.00 0.00 N ATOM 415 CA LEU A 31 0.250 5.550 3.662 1.00 0.00 C ATOM 416 C LEU A 31 -0.436 4.286 4.168 1.00 0.00 C ATOM 417 O LEU A 31 -1.452 4.354 4.859 1.00 0.00 O ATOM 418 CB LEU A 31 1.302 6.012 4.672 1.00 0.00 C ATOM 419 CG LEU A 31 2.646 5.286 4.585 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.473 5.830 3.431 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.407 5.415 5.896 1.00 0.00 C ATOM 0 H LEU A 31 -0.563 7.460 3.965 1.00 0.00 H new ATOM 0 HA LEU A 31 0.740 5.321 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.473 7.079 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.900 5.882 5.677 1.00 0.00 H new ATOM 0 HG LEU A 31 2.455 4.229 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.425 5.302 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.932 5.685 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.655 6.894 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.360 4.893 5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.587 6.468 6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.819 4.976 6.702 1.00 0.00 H new ATOM 433 N MET A 32 0.126 3.133 3.817 1.00 0.00 N ATOM 434 CA MET A 32 -0.433 1.852 4.235 1.00 0.00 C ATOM 435 C MET A 32 0.492 1.152 5.226 1.00 0.00 C ATOM 436 O MET A 32 1.417 0.441 4.832 1.00 0.00 O ATOM 437 CB MET A 32 -0.668 0.954 3.019 1.00 0.00 C ATOM 438 CG MET A 32 -1.859 1.377 2.174 1.00 0.00 C ATOM 439 SD MET A 32 -2.302 0.145 0.934 1.00 0.00 S ATOM 440 CE MET A 32 -0.884 0.235 -0.157 1.00 0.00 C ATOM 0 H MET A 32 0.967 3.060 3.245 1.00 0.00 H new ATOM 0 HA MET A 32 -1.386 2.043 4.728 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.227 0.956 2.397 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.819 -0.071 3.358 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.715 1.557 2.824 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.631 2.321 1.678 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.035 -0.433 -1.005 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.766 1.257 -0.516 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.012 -0.065 0.386 1.00 0.00 H new ATOM 450 N CYS A 33 0.236 1.359 6.514 1.00 0.00 N ATOM 451 CA CYS A 33 1.046 0.747 7.561 1.00 0.00 C ATOM 452 C CYS A 33 0.969 -0.775 7.492 1.00 0.00 C ATOM 453 O CYS A 33 1.972 -1.465 7.663 1.00 0.00 O ATOM 454 CB CYS A 33 0.586 1.230 8.938 1.00 0.00 C ATOM 455 SG CYS A 33 0.720 3.018 9.176 1.00 0.00 S ATOM 0 H CYS A 33 -0.525 1.945 6.857 1.00 0.00 H new ATOM 0 HA CYS A 33 2.082 1.047 7.405 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.451 0.931 9.088 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.177 0.727 9.704 1.00 0.00 H new ATOM 0 HG CYS A 33 0.306 3.329 10.368 1.00 0.00 H new ATOM 461 N ASP A 34 -0.230 -1.290 7.239 1.00 0.00 N ATOM 462 CA ASP A 34 -0.439 -2.730 7.146 1.00 0.00 C ATOM 463 C ASP A 34 -1.266 -3.082 5.911 1.00 0.00 C ATOM 464 O ASP A 34 -2.468 -3.323 6.008 1.00 0.00 O ATOM 465 CB ASP A 34 -1.137 -3.246 8.406 1.00 0.00 C ATOM 466 CG ASP A 34 -0.470 -2.760 9.677 1.00 0.00 C ATOM 467 OD1 ASP A 34 -0.356 -1.529 9.853 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.060 -3.610 10.495 1.00 0.00 O ATOM 0 H ASP A 34 -1.071 -0.731 7.095 1.00 0.00 H new ATOM 0 HA ASP A 34 0.536 -3.209 7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.178 -2.923 8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.141 -4.336 8.395 1.00 0.00 H new ATOM 473 N PRO A 35 -0.626 -3.116 4.729 1.00 0.00 N ATOM 474 CA PRO A 35 -1.308 -3.441 3.473 1.00 0.00 C ATOM 475 C PRO A 35 -1.647 -4.923 3.363 1.00 0.00 C ATOM 476 O PRO A 35 -0.768 -5.780 3.459 1.00 0.00 O ATOM 477 CB PRO A 35 -0.285 -3.047 2.407 1.00 0.00 C ATOM 478 CG PRO A 35 1.034 -3.200 3.080 1.00 0.00 C ATOM 479 CD PRO A 35 0.809 -2.840 4.525 1.00 0.00 C ATOM 0 HA PRO A 35 -2.263 -2.925 3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.359 -3.689 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.441 -2.023 2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.404 -4.221 2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.781 -2.548 2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.431 -3.439 5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.048 -1.795 4.720 1.00 0.00 H new ATOM 487 N VAL A 36 -2.927 -5.219 3.159 1.00 0.00 N ATOM 488 CA VAL A 36 -3.381 -6.599 3.035 1.00 0.00 C ATOM 489 C VAL A 36 -3.858 -6.895 1.617 1.00 0.00 C ATOM 490 O VAL A 36 -4.584 -6.102 1.017 1.00 0.00 O ATOM 491 CB VAL A 36 -4.523 -6.907 4.023 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.013 -6.882 5.455 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.667 -5.921 3.839 1.00 0.00 C ATOM 0 H VAL A 36 -3.667 -4.522 3.076 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.527 -7.235 3.269 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.899 -7.909 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.834 -7.102 6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.230 -7.631 5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.608 -5.895 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.465 -6.153 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.307 -4.908 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.050 -5.994 2.821 1.00 0.00 H new ATOM 503 N VAL A 37 -3.443 -8.040 1.085 1.00 0.00 N ATOM 504 CA VAL A 37 -3.827 -8.440 -0.264 1.00 0.00 C ATOM 505 C VAL A 37 -5.155 -9.189 -0.258 1.00 0.00 C ATOM 506 O VAL A 37 -5.279 -10.245 0.363 1.00 0.00 O ATOM 507 CB VAL A 37 -2.750 -9.328 -0.916 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.093 -9.605 -2.371 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.378 -8.682 -0.798 1.00 0.00 C ATOM 0 H VAL A 37 -2.841 -8.707 1.567 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.932 -7.525 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.724 -10.280 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.320 -10.234 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.054 -10.117 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.151 -8.663 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.632 -9.325 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.387 -7.714 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.130 -8.543 0.254 1.00 0.00 H new ATOM 519 N LEU A 38 -6.143 -8.638 -0.954 1.00 0.00 N ATOM 520 CA LEU A 38 -7.461 -9.257 -1.031 1.00 0.00 C ATOM 521 C LEU A 38 -7.470 -10.386 -2.062 1.00 0.00 C ATOM 522 O LEU A 38 -7.106 -10.179 -3.218 1.00 0.00 O ATOM 523 CB LEU A 38 -8.516 -8.210 -1.394 1.00 0.00 C ATOM 524 CG LEU A 38 -8.456 -6.919 -0.575 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.821 -5.721 -1.438 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.379 -7.010 0.632 1.00 0.00 C ATOM 0 H LEU A 38 -6.056 -7.764 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.698 -9.678 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.408 -7.958 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.504 -8.654 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.435 -6.785 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.773 -4.812 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.120 -5.645 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.832 -5.846 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.324 -6.083 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.404 -7.168 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.072 -7.844 1.263 1.00 0.00 H new ATOM 538 N PRO A 39 -7.888 -11.600 -1.658 1.00 0.00 N ATOM 539 CA PRO A 39 -7.937 -12.754 -2.561 1.00 0.00 C ATOM 540 C PRO A 39 -9.085 -12.673 -3.566 1.00 0.00 C ATOM 541 O PRO A 39 -9.206 -13.522 -4.449 1.00 0.00 O ATOM 542 CB PRO A 39 -8.144 -13.933 -1.611 1.00 0.00 C ATOM 543 CG PRO A 39 -8.857 -13.351 -0.439 1.00 0.00 C ATOM 544 CD PRO A 39 -8.341 -11.945 -0.296 1.00 0.00 C ATOM 0 HA PRO A 39 -7.037 -12.826 -3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.731 -14.722 -2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.193 -14.376 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.936 -13.357 -0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.663 -13.931 0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.120 -11.266 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.525 -11.889 0.424 1.00 0.00 H new ATOM 552 N SER A 40 -9.926 -11.651 -3.430 1.00 0.00 N ATOM 553 CA SER A 40 -11.059 -11.472 -4.329 1.00 0.00 C ATOM 554 C SER A 40 -10.792 -10.354 -5.333 1.00 0.00 C ATOM 555 O SER A 40 -10.593 -10.607 -6.521 1.00 0.00 O ATOM 556 CB SER A 40 -12.327 -11.166 -3.529 1.00 0.00 C ATOM 557 OG SER A 40 -13.346 -12.110 -3.807 1.00 0.00 O ATOM 0 H SER A 40 -9.843 -10.936 -2.707 1.00 0.00 H new ATOM 0 HA SER A 40 -11.201 -12.401 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.099 -11.175 -2.463 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.680 -10.163 -3.771 1.00 0.00 H new ATOM 0 HG SER A 40 -14.145 -11.893 -3.282 1.00 0.00 H new ATOM 563 N SER A 41 -10.795 -9.117 -4.846 1.00 0.00 N ATOM 564 CA SER A 41 -10.557 -7.959 -5.700 1.00 0.00 C ATOM 565 C SER A 41 -9.098 -7.886 -6.146 1.00 0.00 C ATOM 566 O SER A 41 -8.777 -7.222 -7.132 1.00 0.00 O ATOM 567 CB SER A 41 -10.942 -6.673 -4.965 1.00 0.00 C ATOM 568 OG SER A 41 -10.117 -6.467 -3.831 1.00 0.00 O ATOM 0 H SER A 41 -10.960 -8.891 -3.865 1.00 0.00 H new ATOM 0 HA SER A 41 -11.178 -8.067 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.854 -5.823 -5.642 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.986 -6.726 -4.655 1.00 0.00 H new ATOM 0 HG SER A 41 -9.427 -5.804 -4.044 1.00 0.00 H new ATOM 574 N ARG A 42 -8.218 -8.568 -5.418 1.00 0.00 N ATOM 575 CA ARG A 42 -6.797 -8.572 -5.747 1.00 0.00 C ATOM 576 C ARG A 42 -6.223 -7.160 -5.682 1.00 0.00 C ATOM 577 O ARG A 42 -5.304 -6.817 -6.425 1.00 0.00 O ATOM 578 CB ARG A 42 -6.574 -9.163 -7.141 1.00 0.00 C ATOM 579 CG ARG A 42 -6.563 -10.684 -7.163 1.00 0.00 C ATOM 580 CD ARG A 42 -7.727 -11.242 -7.966 1.00 0.00 C ATOM 581 NE ARG A 42 -8.307 -12.428 -7.338 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.763 -13.641 -7.402 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.628 -13.834 -8.062 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.356 -14.665 -6.804 1.00 0.00 N ATOM 0 H ARG A 42 -8.464 -9.123 -4.599 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.281 -9.191 -5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.358 -8.804 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.627 -8.795 -7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.624 -11.035 -7.591 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.610 -11.063 -6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.495 -10.476 -8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.387 -11.493 -8.971 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.179 -12.320 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.167 -13.050 -8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.216 -14.766 -8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.229 -14.523 -6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.940 -15.595 -6.853 1.00 0.00 H new ATOM 598 N VAL A 43 -6.772 -6.346 -4.786 1.00 0.00 N ATOM 599 CA VAL A 43 -6.318 -4.971 -4.621 1.00 0.00 C ATOM 600 C VAL A 43 -5.677 -4.766 -3.252 1.00 0.00 C ATOM 601 O VAL A 43 -6.224 -5.183 -2.232 1.00 0.00 O ATOM 602 CB VAL A 43 -7.479 -3.972 -4.788 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.958 -2.544 -4.804 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.264 -4.276 -6.055 1.00 0.00 C ATOM 0 H VAL A 43 -7.533 -6.616 -4.163 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.576 -4.786 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.151 -4.078 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.793 -1.853 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.444 -2.334 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.263 -2.419 -5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.080 -3.561 -6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.604 -4.200 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.671 -5.286 -5.997 1.00 0.00 H new ATOM 614 N THR A 44 -4.515 -4.121 -3.240 1.00 0.00 N ATOM 615 CA THR A 44 -3.799 -3.861 -1.996 1.00 0.00 C ATOM 616 C THR A 44 -4.448 -2.719 -1.221 1.00 0.00 C ATOM 617 O THR A 44 -4.652 -1.629 -1.756 1.00 0.00 O ATOM 618 CB THR A 44 -2.336 -3.528 -2.288 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.929 -4.090 -3.522 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.385 -4.025 -1.220 1.00 0.00 C ATOM 0 H THR A 44 -4.049 -3.769 -4.077 1.00 0.00 H new ATOM 0 HA THR A 44 -3.846 -4.762 -1.384 1.00 0.00 H new ATOM 0 HB THR A 44 -2.288 -2.439 -2.317 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.991 -3.864 -3.691 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.363 -3.756 -1.489 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.641 -3.569 -0.264 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.465 -5.109 -1.138 1.00 0.00 H new ATOM 628 N VAL A 45 -4.768 -2.977 0.042 1.00 0.00 N ATOM 629 CA VAL A 45 -5.392 -1.971 0.893 1.00 0.00 C ATOM 630 C VAL A 45 -5.042 -2.200 2.359 1.00 0.00 C ATOM 631 O VAL A 45 -4.740 -3.321 2.767 1.00 0.00 O ATOM 632 CB VAL A 45 -6.925 -1.973 0.736 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.318 -1.588 -0.681 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.500 -3.333 1.106 1.00 0.00 C ATOM 0 H VAL A 45 -4.606 -3.874 0.499 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.004 -1.003 0.575 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.341 -1.231 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.404 -1.595 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.942 -0.590 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.890 -2.303 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.583 -3.314 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.078 -4.097 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.251 -3.564 2.142 1.00 0.00 H new ATOM 644 N ASP A 46 -5.083 -1.132 3.148 1.00 0.00 N ATOM 645 CA ASP A 46 -4.771 -1.219 4.570 1.00 0.00 C ATOM 646 C ASP A 46 -5.726 -2.177 5.277 1.00 0.00 C ATOM 647 O ASP A 46 -6.916 -2.223 4.967 1.00 0.00 O ATOM 648 CB ASP A 46 -4.844 0.166 5.217 1.00 0.00 C ATOM 649 CG ASP A 46 -3.492 0.652 5.702 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.611 -0.196 5.954 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.314 1.882 5.828 1.00 0.00 O ATOM 0 H ASP A 46 -5.329 -0.196 2.827 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.756 -1.604 4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.246 0.879 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.538 0.135 6.057 1.00 0.00 H new ATOM 656 N ARG A 47 -5.196 -2.939 6.228 1.00 0.00 N ATOM 657 CA ARG A 47 -6.004 -3.893 6.979 1.00 0.00 C ATOM 658 C ARG A 47 -7.137 -3.185 7.714 1.00 0.00 C ATOM 659 O ARG A 47 -8.205 -3.758 7.930 1.00 0.00 O ATOM 660 CB ARG A 47 -5.133 -4.659 7.976 1.00 0.00 C ATOM 661 CG ARG A 47 -5.669 -6.040 8.314 1.00 0.00 C ATOM 662 CD ARG A 47 -5.312 -6.444 9.736 1.00 0.00 C ATOM 663 NE ARG A 47 -3.877 -6.346 9.989 1.00 0.00 N ATOM 664 CZ ARG A 47 -3.260 -6.952 11.000 1.00 0.00 C ATOM 665 NH1 ARG A 47 -3.947 -7.701 11.854 1.00 0.00 N ATOM 666 NH2 ARG A 47 -1.951 -6.812 11.158 1.00 0.00 N ATOM 0 H ARG A 47 -4.212 -2.915 6.497 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.439 -4.599 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.128 -4.758 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.047 -4.077 8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.752 -6.051 8.193 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.263 -6.770 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.848 -5.807 10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.643 -7.467 9.916 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.315 -5.780 9.353 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.954 -7.815 11.737 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.468 -8.163 12.627 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.417 -6.240 10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.478 -7.277 11.933 1.00 0.00 H new ATOM 680 N SER A 48 -6.897 -1.935 8.097 1.00 0.00 N ATOM 681 CA SER A 48 -7.897 -1.147 8.807 1.00 0.00 C ATOM 682 C SER A 48 -8.910 -0.552 7.834 1.00 0.00 C ATOM 683 O SER A 48 -10.098 -0.460 8.139 1.00 0.00 O ATOM 684 CB SER A 48 -7.224 -0.030 9.607 1.00 0.00 C ATOM 685 OG SER A 48 -6.366 0.741 8.785 1.00 0.00 O ATOM 0 H SER A 48 -6.018 -1.446 7.927 1.00 0.00 H new ATOM 0 HA SER A 48 -8.424 -1.809 9.494 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.984 0.614 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.654 -0.461 10.430 1.00 0.00 H new ATOM 0 HG SER A 48 -5.950 1.449 9.320 1.00 0.00 H new ATOM 691 N THR A 49 -8.431 -0.151 6.661 1.00 0.00 N ATOM 692 CA THR A 49 -9.294 0.434 5.642 1.00 0.00 C ATOM 693 C THR A 49 -10.357 -0.562 5.194 1.00 0.00 C ATOM 694 O THR A 49 -11.505 -0.194 4.947 1.00 0.00 O ATOM 695 CB THR A 49 -8.465 0.891 4.441 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.308 1.589 4.866 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.227 1.796 3.497 1.00 0.00 C ATOM 0 H THR A 49 -7.449 -0.221 6.393 1.00 0.00 H new ATOM 0 HA THR A 49 -9.794 1.299 6.077 1.00 0.00 H new ATOM 0 HB THR A 49 -8.201 -0.023 3.908 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.493 2.043 5.715 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.581 2.083 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.099 1.268 3.112 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.550 2.689 4.031 1.00 0.00 H new ATOM 705 N ILE A 50 -9.965 -1.827 5.092 1.00 0.00 N ATOM 706 CA ILE A 50 -10.881 -2.881 4.677 1.00 0.00 C ATOM 707 C ILE A 50 -11.832 -3.255 5.810 1.00 0.00 C ATOM 708 O ILE A 50 -12.993 -3.588 5.576 1.00 0.00 O ATOM 709 CB ILE A 50 -10.119 -4.139 4.213 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.095 -5.194 3.688 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.280 -4.704 5.352 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.857 -4.753 2.458 1.00 0.00 C ATOM 0 H ILE A 50 -9.017 -2.147 5.292 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.458 -2.492 3.838 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.450 -3.857 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.543 -6.105 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.806 -5.444 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.749 -5.591 5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.560 -3.954 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.930 -4.971 6.185 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.530 -5.550 2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.437 -3.860 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.154 -4.531 1.655 1.00 0.00 H new ATOM 724 N ALA A 51 -11.329 -3.197 7.040 1.00 0.00 N ATOM 725 CA ALA A 51 -12.133 -3.527 8.211 1.00 0.00 C ATOM 726 C ALA A 51 -13.404 -2.685 8.261 1.00 0.00 C ATOM 727 O ALA A 51 -14.482 -3.189 8.579 1.00 0.00 O ATOM 728 CB ALA A 51 -11.319 -3.333 9.482 1.00 0.00 C ATOM 0 H ALA A 51 -10.369 -2.925 7.251 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.426 -4.574 8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.932 -3.583 10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.444 -3.983 9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.997 -2.294 9.553 1.00 0.00 H new ATOM 734 N ARG A 52 -13.270 -1.402 7.942 1.00 0.00 N ATOM 735 CA ARG A 52 -14.409 -0.491 7.947 1.00 0.00 C ATOM 736 C ARG A 52 -15.484 -0.966 6.975 1.00 0.00 C ATOM 737 O ARG A 52 -16.678 -0.818 7.233 1.00 0.00 O ATOM 738 CB ARG A 52 -13.960 0.924 7.578 1.00 0.00 C ATOM 739 CG ARG A 52 -14.817 2.016 8.195 1.00 0.00 C ATOM 740 CD ARG A 52 -14.308 2.411 9.572 1.00 0.00 C ATOM 741 NE ARG A 52 -15.101 3.487 10.162 1.00 0.00 N ATOM 742 CZ ARG A 52 -14.974 4.769 9.830 1.00 0.00 C ATOM 743 NH1 ARG A 52 -14.086 5.141 8.915 1.00 0.00 N ATOM 744 NH2 ARG A 52 -15.736 5.684 10.413 1.00 0.00 N ATOM 0 H ARG A 52 -12.385 -0.970 7.677 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.830 -0.478 8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.926 1.062 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.977 1.030 6.493 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.821 2.889 7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.848 1.671 8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.330 1.542 10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.268 2.727 9.497 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.793 3.241 10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.497 4.442 8.463 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.993 6.125 8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.420 5.405 11.116 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.638 6.667 10.158 1.00 0.00 H new ATOM 758 N HIS A 53 -15.049 -1.540 5.859 1.00 0.00 N ATOM 759 CA HIS A 53 -15.971 -2.043 4.847 1.00 0.00 C ATOM 760 C HIS A 53 -16.587 -3.370 5.281 1.00 0.00 C ATOM 761 O HIS A 53 -17.662 -3.748 4.815 1.00 0.00 O ATOM 762 CB HIS A 53 -15.249 -2.216 3.510 1.00 0.00 C ATOM 763 CG HIS A 53 -16.176 -2.397 2.349 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.985 -1.401 1.850 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.416 -3.492 1.584 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.676 -1.910 0.821 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.367 -3.175 0.618 1.00 0.00 N ATOM 0 H HIS A 53 -14.063 -1.669 5.632 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.772 -1.314 4.728 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.621 -1.344 3.330 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.586 -3.079 3.573 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.047 -0.445 2.201 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.944 -4.456 1.705 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.393 -1.355 0.234 1.00 0.00 H new ATOM 775 N LEU A 54 -15.901 -4.075 6.177 1.00 0.00 N ATOM 776 CA LEU A 54 -16.382 -5.359 6.672 1.00 0.00 C ATOM 777 C LEU A 54 -17.138 -5.189 7.988 1.00 0.00 C ATOM 778 O LEU A 54 -17.172 -6.099 8.816 1.00 0.00 O ATOM 779 CB LEU A 54 -15.212 -6.325 6.866 1.00 0.00 C ATOM 780 CG LEU A 54 -14.345 -6.552 5.627 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.249 -7.564 5.920 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.201 -7.014 4.457 1.00 0.00 C ATOM 0 H LEU A 54 -15.010 -3.777 6.574 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.067 -5.771 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.579 -5.948 7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.606 -7.286 7.196 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.874 -5.607 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.643 -7.712 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.619 -7.194 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.699 -8.512 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.569 -7.171 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.699 -7.948 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.949 -6.254 4.231 1.00 0.00 H new ATOM 794 N LEU A 55 -17.745 -4.021 8.173 1.00 0.00 N ATOM 795 CA LEU A 55 -18.501 -3.737 9.388 1.00 0.00 C ATOM 796 C LEU A 55 -19.976 -4.078 9.200 1.00 0.00 C ATOM 797 O LEU A 55 -20.598 -4.688 10.069 1.00 0.00 O ATOM 798 CB LEU A 55 -18.352 -2.263 9.773 1.00 0.00 C ATOM 799 CG LEU A 55 -16.968 -1.865 10.288 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.852 -0.352 10.392 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.693 -2.515 11.637 1.00 0.00 C ATOM 0 H LEU A 55 -17.728 -3.257 7.498 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.101 -4.357 10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.589 -1.650 8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.090 -2.027 10.540 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.222 -2.219 9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.861 -0.088 10.760 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.005 0.093 9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.607 0.024 11.082 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.704 -2.221 11.988 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.445 -2.191 12.357 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.733 -3.599 11.533 1.00 0.00 H new ATOM 813 N SER A 56 -20.527 -3.679 8.059 1.00 0.00 N ATOM 814 CA SER A 56 -21.929 -3.942 7.755 1.00 0.00 C ATOM 815 C SER A 56 -22.060 -4.973 6.639 1.00 0.00 C ATOM 816 O SER A 56 -23.028 -5.732 6.591 1.00 0.00 O ATOM 817 CB SER A 56 -22.636 -2.647 7.352 1.00 0.00 C ATOM 818 OG SER A 56 -22.832 -1.802 8.473 1.00 0.00 O ATOM 0 H SER A 56 -20.025 -3.173 7.330 1.00 0.00 H new ATOM 0 HA SER A 56 -22.400 -4.342 8.653 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.045 -2.126 6.599 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.598 -2.881 6.897 1.00 0.00 H new ATOM 0 HG SER A 56 -23.284 -0.980 8.188 1.00 0.00 H new ATOM 824 N ASP A 57 -21.079 -4.995 5.742 1.00 0.00 N ATOM 825 CA ASP A 57 -21.085 -5.934 4.625 1.00 0.00 C ATOM 826 C ASP A 57 -19.739 -6.643 4.502 1.00 0.00 C ATOM 827 O ASP A 57 -18.783 -6.089 3.962 1.00 0.00 O ATOM 828 CB ASP A 57 -21.411 -5.203 3.321 1.00 0.00 C ATOM 829 CG ASP A 57 -22.688 -4.392 3.417 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.773 -5.002 3.510 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.602 -3.146 3.401 1.00 0.00 O ATOM 0 H ASP A 57 -20.270 -4.374 5.767 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.853 -6.684 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.583 -4.543 3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.505 -5.930 2.514 1.00 0.00 H new ATOM 836 N GLN A 58 -19.676 -7.871 5.006 1.00 0.00 N ATOM 837 CA GLN A 58 -18.448 -8.656 4.950 1.00 0.00 C ATOM 838 C GLN A 58 -18.128 -9.064 3.516 1.00 0.00 C ATOM 839 O GLN A 58 -18.387 -10.196 3.110 1.00 0.00 O ATOM 840 CB GLN A 58 -18.573 -9.900 5.834 1.00 0.00 C ATOM 841 CG GLN A 58 -17.971 -9.724 7.219 1.00 0.00 C ATOM 842 CD GLN A 58 -19.012 -9.775 8.321 1.00 0.00 C ATOM 843 OE1 GLN A 58 -19.050 -10.716 9.113 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.866 -8.759 8.374 1.00 0.00 N ATOM 0 H GLN A 58 -20.459 -8.344 5.457 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.632 -8.036 5.321 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.627 -10.160 5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.084 -10.739 5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.229 -10.504 7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.447 -8.769 7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.798 -7.999 7.697 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.590 -8.738 9.092 1.00 0.00 H new ATOM 853 N THR A 59 -17.563 -8.132 2.755 1.00 0.00 N ATOM 854 CA THR A 59 -17.206 -8.392 1.366 1.00 0.00 C ATOM 855 C THR A 59 -16.110 -7.438 0.900 1.00 0.00 C ATOM 856 O THR A 59 -15.578 -6.658 1.689 1.00 0.00 O ATOM 857 CB THR A 59 -18.436 -8.251 0.467 1.00 0.00 C ATOM 858 OG1 THR A 59 -18.942 -6.928 0.512 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.564 -9.186 0.846 1.00 0.00 C ATOM 0 H THR A 59 -17.343 -7.190 3.078 1.00 0.00 H new ATOM 0 HA THR A 59 -16.829 -9.413 1.298 1.00 0.00 H new ATOM 0 HB THR A 59 -18.092 -8.508 -0.535 1.00 0.00 H new ATOM 0 HG1 THR A 59 -19.910 -6.943 0.363 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.405 -9.035 0.169 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.221 -10.218 0.773 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.880 -8.980 1.869 1.00 0.00 H new ATOM 867 N ASP A 60 -15.778 -7.507 -0.386 1.00 0.00 N ATOM 868 CA ASP A 60 -14.747 -6.647 -0.954 1.00 0.00 C ATOM 869 C ASP A 60 -15.359 -5.356 -1.497 1.00 0.00 C ATOM 870 O ASP A 60 -16.409 -5.381 -2.138 1.00 0.00 O ATOM 871 CB ASP A 60 -13.997 -7.384 -2.067 1.00 0.00 C ATOM 872 CG ASP A 60 -12.581 -7.747 -1.668 1.00 0.00 C ATOM 873 OD1 ASP A 60 -11.881 -6.877 -1.108 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.173 -8.901 -1.915 1.00 0.00 O ATOM 0 H ASP A 60 -16.208 -8.149 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.042 -6.388 -0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.541 -8.291 -2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.971 -6.759 -2.959 1.00 0.00 H new ATOM 879 N PRO A 61 -14.708 -4.205 -1.252 1.00 0.00 N ATOM 880 CA PRO A 61 -15.200 -2.907 -1.726 1.00 0.00 C ATOM 881 C PRO A 61 -15.184 -2.797 -3.248 1.00 0.00 C ATOM 882 O PRO A 61 -15.830 -1.920 -3.823 1.00 0.00 O ATOM 883 CB PRO A 61 -14.225 -1.901 -1.107 1.00 0.00 C ATOM 884 CG PRO A 61 -12.989 -2.685 -0.832 1.00 0.00 C ATOM 885 CD PRO A 61 -13.447 -4.076 -0.500 1.00 0.00 C ATOM 0 HA PRO A 61 -16.239 -2.742 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.025 -1.074 -1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.631 -1.469 -0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.328 -2.688 -1.699 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.428 -2.251 -0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.717 -4.824 -0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.602 -4.204 0.571 1.00 0.00 H new ATOM 893 N PHE A 62 -14.443 -3.691 -3.897 1.00 0.00 N ATOM 894 CA PHE A 62 -14.345 -3.690 -5.353 1.00 0.00 C ATOM 895 C PHE A 62 -15.097 -4.874 -5.952 1.00 0.00 C ATOM 896 O PHE A 62 -16.022 -4.699 -6.745 1.00 0.00 O ATOM 897 CB PHE A 62 -12.879 -3.730 -5.787 1.00 0.00 C ATOM 898 CG PHE A 62 -11.998 -2.783 -5.024 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.928 -1.445 -5.375 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.239 -3.232 -3.954 1.00 0.00 C ATOM 901 CE1 PHE A 62 -11.118 -0.571 -4.675 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.427 -2.363 -3.251 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.366 -1.031 -3.610 1.00 0.00 C ATOM 0 H PHE A 62 -13.902 -4.424 -3.438 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.801 -2.771 -5.721 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.500 -4.745 -5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.817 -3.494 -6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.514 -1.080 -6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.283 -4.272 -3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.073 0.470 -4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.840 -2.726 -2.420 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.733 -0.350 -3.060 1.00 0.00 H new ATOM 913 N ASN A 63 -14.688 -6.080 -5.571 1.00 0.00 N ATOM 914 CA ASN A 63 -15.318 -7.296 -6.074 1.00 0.00 C ATOM 915 C ASN A 63 -16.726 -7.461 -5.512 1.00 0.00 C ATOM 916 O ASN A 63 -17.612 -7.996 -6.179 1.00 0.00 O ATOM 917 CB ASN A 63 -14.469 -8.518 -5.718 1.00 0.00 C ATOM 918 CG ASN A 63 -14.648 -9.654 -6.705 1.00 0.00 C ATOM 919 OD1 ASN A 63 -15.762 -10.128 -6.929 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.548 -10.099 -7.302 1.00 0.00 N ATOM 0 H ASN A 63 -13.923 -6.241 -4.916 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.391 -7.212 -7.158 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.418 -8.230 -5.686 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.735 -8.863 -4.719 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.607 -10.863 -7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.645 -9.677 -7.087 1.00 0.00 H new ATOM 927 N ARG A 64 -16.929 -7.002 -4.281 1.00 0.00 N ATOM 928 CA ARG A 64 -18.232 -7.104 -3.632 1.00 0.00 C ATOM 929 C ARG A 64 -18.624 -8.565 -3.431 1.00 0.00 C ATOM 930 O ARG A 64 -19.801 -8.918 -3.501 1.00 0.00 O ATOM 931 CB ARG A 64 -19.299 -6.385 -4.463 1.00 0.00 C ATOM 932 CG ARG A 64 -20.181 -5.454 -3.646 1.00 0.00 C ATOM 933 CD ARG A 64 -20.863 -6.193 -2.506 1.00 0.00 C ATOM 934 NE ARG A 64 -21.728 -5.314 -1.724 1.00 0.00 N ATOM 935 CZ ARG A 64 -21.275 -4.389 -0.880 1.00 0.00 C ATOM 936 NH1 ARG A 64 -19.970 -4.221 -0.707 1.00 0.00 N ATOM 937 NH2 ARG A 64 -22.130 -3.629 -0.209 1.00 0.00 N ATOM 0 H ARG A 64 -16.209 -6.556 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.163 -6.626 -2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.809 -5.811 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.927 -7.128 -4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.578 -4.639 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.935 -5.004 -4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -21.452 -7.017 -2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.107 -6.631 -1.854 1.00 0.00 H new ATOM 0 HE ARG A 64 -22.737 -5.414 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -19.308 -4.802 -1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -19.629 -3.511 -0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -23.134 -3.753 -0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -21.784 -2.920 0.438 1.00 0.00 H new ATOM 951 N SER A 65 -17.628 -9.408 -3.181 1.00 0.00 N ATOM 952 CA SER A 65 -17.865 -10.832 -2.969 1.00 0.00 C ATOM 953 C SER A 65 -17.672 -11.204 -1.501 1.00 0.00 C ATOM 954 O SER A 65 -17.101 -10.435 -0.728 1.00 0.00 O ATOM 955 CB SER A 65 -16.926 -11.662 -3.847 1.00 0.00 C ATOM 956 OG SER A 65 -17.566 -12.056 -5.048 1.00 0.00 O ATOM 0 H SER A 65 -16.648 -9.130 -3.120 1.00 0.00 H new ATOM 0 HA SER A 65 -18.897 -11.049 -3.246 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.034 -11.081 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.597 -12.545 -3.300 1.00 0.00 H new ATOM 0 HG SER A 65 -17.179 -11.564 -5.802 1.00 0.00 H new ATOM 962 N PRO A 66 -18.145 -12.395 -1.095 1.00 0.00 N ATOM 963 CA PRO A 66 -18.020 -12.865 0.288 1.00 0.00 C ATOM 964 C PRO A 66 -16.566 -12.941 0.742 1.00 0.00 C ATOM 965 O PRO A 66 -15.824 -13.835 0.335 1.00 0.00 O ATOM 966 CB PRO A 66 -18.648 -14.266 0.261 1.00 0.00 C ATOM 967 CG PRO A 66 -18.678 -14.655 -1.178 1.00 0.00 C ATOM 968 CD PRO A 66 -18.836 -13.376 -1.947 1.00 0.00 C ATOM 0 HA PRO A 66 -18.506 -12.186 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.060 -14.972 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.651 -14.256 0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.761 -15.171 -1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.503 -15.337 -1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.384 -13.441 -2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.885 -13.118 -2.092 1.00 0.00 H new ATOM 976 N LEU A 67 -16.167 -11.996 1.586 1.00 0.00 N ATOM 977 CA LEU A 67 -14.801 -11.952 2.096 1.00 0.00 C ATOM 978 C LEU A 67 -14.787 -11.602 3.580 1.00 0.00 C ATOM 979 O LEU A 67 -15.648 -10.868 4.064 1.00 0.00 O ATOM 980 CB LEU A 67 -13.975 -10.931 1.310 1.00 0.00 C ATOM 981 CG LEU A 67 -12.540 -10.741 1.803 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.648 -11.862 1.295 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.003 -9.387 1.362 1.00 0.00 C ATOM 0 H LEU A 67 -16.770 -11.250 1.932 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.359 -12.940 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.946 -11.238 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.486 -9.969 1.346 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.541 -10.773 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.631 -11.710 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.023 -12.819 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.650 -11.863 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.981 -9.267 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.015 -9.328 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.628 -8.595 1.775 1.00 0.00 H new ATOM 995 N THR A 68 -13.802 -12.132 4.298 1.00 0.00 N ATOM 996 CA THR A 68 -13.675 -11.875 5.729 1.00 0.00 C ATOM 997 C THR A 68 -12.250 -11.465 6.083 1.00 0.00 C ATOM 998 O THR A 68 -11.363 -11.465 5.230 1.00 0.00 O ATOM 999 CB THR A 68 -14.074 -13.117 6.528 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.667 -14.296 5.859 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.564 -13.217 6.772 1.00 0.00 C ATOM 0 H THR A 68 -13.080 -12.742 3.913 1.00 0.00 H new ATOM 0 HA THR A 68 -14.345 -11.055 5.987 1.00 0.00 H new ATOM 0 HB THR A 68 -13.571 -13.016 7.490 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.930 -15.079 6.387 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.779 -14.120 7.344 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.900 -12.344 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.087 -13.259 5.817 1.00 0.00 H new ATOM 1009 N MET A 69 -12.038 -11.115 7.347 1.00 0.00 N ATOM 1010 CA MET A 69 -10.720 -10.702 7.816 1.00 0.00 C ATOM 1011 C MET A 69 -9.743 -11.873 7.793 1.00 0.00 C ATOM 1012 O MET A 69 -8.546 -11.692 7.572 1.00 0.00 O ATOM 1013 CB MET A 69 -10.815 -10.127 9.231 1.00 0.00 C ATOM 1014 CG MET A 69 -9.906 -8.931 9.463 1.00 0.00 C ATOM 1015 SD MET A 69 -10.807 -7.370 9.513 1.00 0.00 S ATOM 1016 CE MET A 69 -10.142 -6.548 8.068 1.00 0.00 C ATOM 0 H MET A 69 -12.762 -11.109 8.065 1.00 0.00 H new ATOM 0 HA MET A 69 -10.348 -9.929 7.143 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.846 -9.833 9.426 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.565 -10.908 9.949 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.368 -9.065 10.402 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.159 -8.889 8.671 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.756 -5.679 7.829 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.120 -6.226 8.270 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.145 -7.237 7.224 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.263 -13.074 8.025 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.437 -14.276 8.032 1.00 0.00 C ATOM 1028 C ASP A 70 -8.952 -14.612 6.626 1.00 0.00 C ATOM 1029 O ASP A 70 -7.864 -15.159 6.448 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.222 -15.455 8.611 1.00 0.00 C ATOM 1031 CG ASP A 70 -9.372 -16.331 9.509 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -8.703 -15.784 10.411 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -9.374 -17.564 9.311 1.00 0.00 O ATOM 0 H ASP A 70 -11.252 -13.241 8.211 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.566 -14.085 8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.074 -15.078 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.623 -16.057 7.795 1.00 0.00 H new ATOM 1038 N GLN A 71 -9.767 -14.280 5.629 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.421 -14.548 4.238 1.00 0.00 C ATOM 1040 C GLN A 71 -8.247 -13.679 3.793 1.00 0.00 C ATOM 1041 O GLN A 71 -7.251 -14.184 3.275 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.628 -14.296 3.332 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.624 -15.444 3.314 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.628 -15.328 2.185 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -13.808 -15.059 2.411 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.163 -15.530 0.957 1.00 0.00 N ATOM 0 H GLN A 71 -10.671 -13.825 5.759 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.128 -15.595 4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.136 -13.390 3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.278 -14.114 2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.085 -16.386 3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.155 -15.474 4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.177 -15.751 0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.792 -15.464 0.156 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.373 -12.373 3.999 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.323 -11.435 3.618 1.00 0.00 C ATOM 1057 C ILE A 72 -6.023 -11.738 4.353 1.00 0.00 C ATOM 1058 O ILE A 72 -6.036 -12.178 5.503 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.736 -9.980 3.910 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.133 -9.824 5.378 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.878 -9.560 2.997 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.972 -8.413 5.902 1.00 0.00 C ATOM 0 H ILE A 72 -9.191 -11.940 4.427 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.168 -11.553 2.546 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.884 -9.330 3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.172 -10.132 5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.528 -10.499 5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.158 -8.530 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.560 -9.637 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.735 -10.212 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.272 -8.377 6.949 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.929 -8.109 5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.599 -7.736 5.322 1.00 0.00 H new ATOM 1074 N ARG A 73 -4.900 -11.501 3.682 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.589 -11.749 4.272 1.00 0.00 C ATOM 1076 C ARG A 73 -2.700 -10.513 4.162 1.00 0.00 C ATOM 1077 O ARG A 73 -2.813 -9.740 3.211 1.00 0.00 O ATOM 1078 CB ARG A 73 -2.916 -12.939 3.585 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.803 -14.170 3.491 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.989 -15.419 3.199 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.839 -16.586 2.972 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.403 -17.842 3.026 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -2.130 -18.098 3.299 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -4.242 -18.846 2.808 1.00 0.00 N ATOM 0 H ARG A 73 -4.872 -11.138 2.729 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.730 -11.979 5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.612 -12.643 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.008 -13.197 4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.348 -14.300 4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.546 -14.026 2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.366 -15.248 2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.317 -15.617 4.034 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.824 -16.428 2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.480 -17.330 3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.801 -19.063 3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.222 -18.655 2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.907 -19.809 2.850 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.798 -10.311 5.139 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.887 -9.162 5.146 1.00 0.00 C ATOM 1100 C PRO A 74 0.190 -9.271 4.071 1.00 0.00 C ATOM 1101 O PRO A 74 0.917 -10.263 4.005 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.259 -9.216 6.539 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.335 -10.651 6.932 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.596 -11.185 6.310 1.00 0.00 C ATOM 0 HA PRO A 74 -1.407 -8.228 4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.772 -8.864 6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.800 -8.583 7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.538 -11.199 6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.359 -10.758 8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.488 -12.230 6.018 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.438 -11.132 7.000 1.00 0.00 H new ATOM 1112 N ASN A 75 0.287 -8.246 3.232 1.00 0.00 N ATOM 1113 CA ASN A 75 1.276 -8.227 2.160 1.00 0.00 C ATOM 1114 C ASN A 75 2.686 -8.083 2.723 1.00 0.00 C ATOM 1115 O ASN A 75 3.198 -6.972 2.863 1.00 0.00 O ATOM 1116 CB ASN A 75 0.982 -7.084 1.188 1.00 0.00 C ATOM 1117 CG ASN A 75 1.488 -7.372 -0.213 1.00 0.00 C ATOM 1118 OD1 ASN A 75 2.409 -8.167 -0.402 1.00 0.00 O ATOM 1119 ND2 ASN A 75 0.886 -6.725 -1.204 1.00 0.00 N ATOM 0 H ASN A 75 -0.307 -7.418 3.273 1.00 0.00 H new ATOM 0 HA ASN A 75 1.214 -9.174 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.093 -6.907 1.154 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.444 -6.169 1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.183 -6.878 -2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.127 -6.075 -1.002 1.00 0.00 H new ATOM 1126 N THR A 76 3.308 -9.212 3.044 1.00 0.00 N ATOM 1127 CA THR A 76 4.659 -9.210 3.592 1.00 0.00 C ATOM 1128 C THR A 76 5.660 -8.678 2.572 1.00 0.00 C ATOM 1129 O THR A 76 6.654 -8.046 2.932 1.00 0.00 O ATOM 1130 CB THR A 76 5.058 -10.622 4.026 1.00 0.00 C ATOM 1131 OG1 THR A 76 3.934 -11.333 4.511 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.115 -10.639 5.108 1.00 0.00 C ATOM 0 H THR A 76 2.898 -10.140 2.934 1.00 0.00 H new ATOM 0 HA THR A 76 4.670 -8.553 4.462 1.00 0.00 H new ATOM 0 HB THR A 76 5.468 -11.094 3.133 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.209 -12.234 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.352 -11.670 5.369 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.014 -10.141 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.742 -10.118 5.990 1.00 0.00 H new ATOM 1140 N GLU A 77 5.392 -8.938 1.296 1.00 0.00 N ATOM 1141 CA GLU A 77 6.270 -8.485 0.223 1.00 0.00 C ATOM 1142 C GLU A 77 6.237 -6.964 0.100 1.00 0.00 C ATOM 1143 O GLU A 77 7.240 -6.338 -0.242 1.00 0.00 O ATOM 1144 CB GLU A 77 5.859 -9.125 -1.104 1.00 0.00 C ATOM 1145 CG GLU A 77 6.550 -10.450 -1.380 1.00 0.00 C ATOM 1146 CD GLU A 77 7.963 -10.274 -1.903 1.00 0.00 C ATOM 1147 OE1 GLU A 77 8.123 -10.086 -3.127 1.00 0.00 O ATOM 1148 OE2 GLU A 77 8.908 -10.324 -1.088 1.00 0.00 O ATOM 0 H GLU A 77 4.574 -9.460 0.980 1.00 0.00 H new ATOM 0 HA GLU A 77 7.288 -8.790 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.780 -9.280 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.081 -8.433 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.577 -11.039 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.966 -11.016 -2.106 1.00 0.00 H new ATOM 1155 N LEU A 78 5.078 -6.378 0.382 1.00 0.00 N ATOM 1156 CA LEU A 78 4.914 -4.932 0.304 1.00 0.00 C ATOM 1157 C LEU A 78 5.337 -4.265 1.608 1.00 0.00 C ATOM 1158 O LEU A 78 5.971 -3.209 1.600 1.00 0.00 O ATOM 1159 CB LEU A 78 3.460 -4.578 -0.014 1.00 0.00 C ATOM 1160 CG LEU A 78 3.210 -3.110 -0.359 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.912 -2.740 -1.657 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.718 -2.833 -0.461 1.00 0.00 C ATOM 0 H LEU A 78 4.239 -6.883 0.667 1.00 0.00 H new ATOM 0 HA LEU A 78 5.554 -4.563 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.127 -5.193 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.842 -4.844 0.843 1.00 0.00 H new ATOM 0 HG LEU A 78 3.620 -2.494 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.723 -1.691 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.985 -2.900 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.532 -3.363 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.559 -1.783 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.284 -3.458 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.240 -3.059 0.492 1.00 0.00 H new ATOM 1174 N LYS A 79 4.984 -4.888 2.727 1.00 0.00 N ATOM 1175 CA LYS A 79 5.325 -4.357 4.043 1.00 0.00 C ATOM 1176 C LYS A 79 6.830 -4.139 4.171 1.00 0.00 C ATOM 1177 O LYS A 79 7.277 -3.110 4.678 1.00 0.00 O ATOM 1178 CB LYS A 79 4.840 -5.306 5.140 1.00 0.00 C ATOM 1179 CG LYS A 79 4.536 -4.610 6.455 1.00 0.00 C ATOM 1180 CD LYS A 79 4.164 -5.608 7.540 1.00 0.00 C ATOM 1181 CE LYS A 79 4.739 -5.206 8.888 1.00 0.00 C ATOM 1182 NZ LYS A 79 6.209 -5.433 8.956 1.00 0.00 N ATOM 0 H LYS A 79 4.461 -5.763 2.750 1.00 0.00 H new ATOM 0 HA LYS A 79 4.827 -3.394 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.943 -5.819 4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.599 -6.070 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.405 -4.033 6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.718 -3.903 6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.079 -5.680 7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.531 -6.597 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.525 -4.153 9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.247 -5.775 9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.589 -4.994 9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.402 -6.455 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.665 -5.009 8.123 1.00 0.00 H new ATOM 1196 N GLU A 80 7.605 -5.115 3.708 1.00 0.00 N ATOM 1197 CA GLU A 80 9.059 -5.029 3.771 1.00 0.00 C ATOM 1198 C GLU A 80 9.572 -3.860 2.936 1.00 0.00 C ATOM 1199 O GLU A 80 10.601 -3.262 3.252 1.00 0.00 O ATOM 1200 CB GLU A 80 9.690 -6.335 3.284 1.00 0.00 C ATOM 1201 CG GLU A 80 9.398 -7.525 4.184 1.00 0.00 C ATOM 1202 CD GLU A 80 10.641 -8.065 4.863 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.067 -7.475 5.878 1.00 0.00 O ATOM 1204 OE2 GLU A 80 11.189 -9.077 4.378 1.00 0.00 O ATOM 0 H GLU A 80 7.251 -5.973 3.286 1.00 0.00 H new ATOM 0 HA GLU A 80 9.343 -4.862 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.326 -6.552 2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.769 -6.202 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.673 -7.232 4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.938 -8.318 3.594 1.00 0.00 H new ATOM 1211 N LYS A 81 8.847 -3.539 1.869 1.00 0.00 N ATOM 1212 CA LYS A 81 9.229 -2.442 0.988 1.00 0.00 C ATOM 1213 C LYS A 81 8.974 -1.094 1.655 1.00 0.00 C ATOM 1214 O LYS A 81 9.737 -0.145 1.471 1.00 0.00 O ATOM 1215 CB LYS A 81 8.456 -2.526 -0.329 1.00 0.00 C ATOM 1216 CG LYS A 81 9.093 -3.452 -1.351 1.00 0.00 C ATOM 1217 CD LYS A 81 8.293 -3.492 -2.644 1.00 0.00 C ATOM 1218 CE LYS A 81 8.955 -4.383 -3.683 1.00 0.00 C ATOM 1219 NZ LYS A 81 9.989 -3.650 -4.465 1.00 0.00 N ATOM 0 H LYS A 81 7.992 -4.023 1.594 1.00 0.00 H new ATOM 0 HA LYS A 81 10.296 -2.529 0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.442 -2.868 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.375 -1.527 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.109 -3.119 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.166 -4.457 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.287 -3.857 -2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.191 -2.482 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.413 -5.239 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.197 -4.775 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.417 -4.292 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.547 -2.848 -4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.726 -3.298 -3.821 1.00 0.00 H new ATOM 1233 N ILE A 82 7.898 -1.017 2.431 1.00 0.00 N ATOM 1234 CA ILE A 82 7.543 0.215 3.126 1.00 0.00 C ATOM 1235 C ILE A 82 8.528 0.513 4.251 1.00 0.00 C ATOM 1236 O ILE A 82 8.903 1.665 4.474 1.00 0.00 O ATOM 1237 CB ILE A 82 6.118 0.141 3.709 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.121 -0.275 2.627 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.722 1.481 4.315 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.819 -0.811 3.179 1.00 0.00 C ATOM 0 H ILE A 82 7.257 -1.793 2.594 1.00 0.00 H new ATOM 0 HA ILE A 82 7.583 1.018 2.390 1.00 0.00 H new ATOM 0 HB ILE A 82 6.104 -0.611 4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.910 0.584 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.579 -1.036 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.713 1.412 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.419 1.740 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.750 2.251 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.160 -1.086 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.018 -1.689 3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.339 -0.044 3.787 1.00 0.00 H new ATOM 1252 N GLN A 83 8.944 -0.532 4.959 1.00 0.00 N ATOM 1253 CA GLN A 83 9.886 -0.380 6.063 1.00 0.00 C ATOM 1254 C GLN A 83 11.247 0.084 5.554 1.00 0.00 C ATOM 1255 O GLN A 83 11.900 0.921 6.177 1.00 0.00 O ATOM 1256 CB GLN A 83 10.034 -1.701 6.820 1.00 0.00 C ATOM 1257 CG GLN A 83 8.712 -2.275 7.305 1.00 0.00 C ATOM 1258 CD GLN A 83 8.260 -1.666 8.618 1.00 0.00 C ATOM 1259 OE1 GLN A 83 8.667 -0.562 8.976 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.412 -2.387 9.344 1.00 0.00 N ATOM 0 H GLN A 83 8.644 -1.492 4.789 1.00 0.00 H new ATOM 0 HA GLN A 83 9.494 0.377 6.742 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.521 -2.429 6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.690 -1.548 7.677 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.947 -2.106 6.547 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.810 -3.354 7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.100 -3.298 9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.073 -2.029 10.237 1.00 0.00 H new ATOM 1269 N ARG A 84 11.669 -0.463 4.419 1.00 0.00 N ATOM 1270 CA ARG A 84 12.951 -0.103 3.826 1.00 0.00 C ATOM 1271 C ARG A 84 12.960 1.363 3.405 1.00 0.00 C ATOM 1272 O ARG A 84 13.988 2.037 3.484 1.00 0.00 O ATOM 1273 CB ARG A 84 13.251 -1.000 2.621 1.00 0.00 C ATOM 1274 CG ARG A 84 14.424 -1.941 2.840 1.00 0.00 C ATOM 1275 CD ARG A 84 14.342 -3.154 1.928 1.00 0.00 C ATOM 1276 NE ARG A 84 15.663 -3.618 1.512 1.00 0.00 N ATOM 1277 CZ ARG A 84 16.381 -3.045 0.548 1.00 0.00 C ATOM 1278 NH1 ARG A 84 15.908 -1.990 -0.104 1.00 0.00 N ATOM 1279 NH2 ARG A 84 17.575 -3.529 0.233 1.00 0.00 N ATOM 0 H ARG A 84 11.141 -1.158 3.891 1.00 0.00 H new ATOM 0 HA ARG A 84 13.727 -0.250 4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.364 -1.588 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.456 -0.373 1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.358 -1.409 2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.441 -2.267 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.821 -3.960 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.751 -2.905 1.046 1.00 0.00 H new ATOM 0 HE ARG A 84 16.059 -4.429 1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.990 -1.614 0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.463 -1.555 -0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.944 -4.340 0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.125 -3.090 -0.505 1.00 0.00 H new ATOM 1293 N TRP A 85 11.808 1.851 2.958 1.00 0.00 N ATOM 1294 CA TRP A 85 11.680 3.237 2.525 1.00 0.00 C ATOM 1295 C TRP A 85 11.542 4.170 3.724 1.00 0.00 C ATOM 1296 O TRP A 85 12.288 5.140 3.857 1.00 0.00 O ATOM 1297 CB TRP A 85 10.472 3.394 1.598 1.00 0.00 C ATOM 1298 CG TRP A 85 10.290 4.791 1.087 1.00 0.00 C ATOM 1299 CD1 TRP A 85 11.172 5.508 0.331 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.158 5.641 1.299 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.656 6.751 0.057 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.420 6.857 0.640 1.00 0.00 C ATOM 1303 CE3 TRP A 85 7.945 5.491 1.979 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.515 7.916 0.643 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.048 6.543 1.981 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.337 7.741 1.316 1.00 0.00 C ATOM 0 H TRP A 85 10.949 1.306 2.886 1.00 0.00 H new ATOM 0 HA TRP A 85 12.584 3.507 1.980 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.583 2.717 0.751 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.572 3.091 2.132 1.00 0.00 H new ATOM 0 HD1 TRP A 85 12.135 5.150 -0.003 1.00 0.00 H new ATOM 0 HE1 TRP A 85 11.117 7.477 -0.491 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.713 4.570 2.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.735 8.842 0.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.109 6.439 2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.615 8.544 1.335 1.00 0.00 H new ATOM 1317 N LEU A 86 10.584 3.868 4.594 1.00 0.00 N ATOM 1318 CA LEU A 86 10.347 4.679 5.784 1.00 0.00 C ATOM 1319 C LEU A 86 11.607 4.775 6.640 1.00 0.00 C ATOM 1320 O LEU A 86 11.866 5.800 7.268 1.00 0.00 O ATOM 1321 CB LEU A 86 9.201 4.090 6.609 1.00 0.00 C ATOM 1322 CG LEU A 86 7.810 4.246 5.991 1.00 0.00 C ATOM 1323 CD1 LEU A 86 6.806 3.357 6.705 1.00 0.00 C ATOM 1324 CD2 LEU A 86 7.367 5.701 6.040 1.00 0.00 C ATOM 0 H LEU A 86 9.959 3.068 4.498 1.00 0.00 H new ATOM 0 HA LEU A 86 10.074 5.683 5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.395 3.029 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.200 4.563 7.591 1.00 0.00 H new ATOM 0 HG LEU A 86 7.859 3.936 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.823 3.482 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.116 2.316 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.758 3.635 7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.376 5.795 5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.334 6.037 7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.074 6.315 5.482 1.00 0.00 H new ATOM 1336 N ALA A 87 12.386 3.698 6.658 1.00 0.00 N ATOM 1337 CA ALA A 87 13.618 3.661 7.436 1.00 0.00 C ATOM 1338 C ALA A 87 14.720 4.470 6.757 1.00 0.00 C ATOM 1339 O ALA A 87 15.589 5.032 7.422 1.00 0.00 O ATOM 1340 CB ALA A 87 14.068 2.223 7.643 1.00 0.00 C ATOM 0 H ALA A 87 12.186 2.841 6.143 1.00 0.00 H new ATOM 0 HA ALA A 87 13.419 4.111 8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 87 14.989 2.210 8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.293 1.673 8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.244 1.754 6.675 1.00 0.00 H new ATOM 1346 N GLU A 88 14.677 4.520 5.430 1.00 0.00 N ATOM 1347 CA GLU A 88 15.672 5.259 4.661 1.00 0.00 C ATOM 1348 C GLU A 88 15.382 6.756 4.689 1.00 0.00 C ATOM 1349 O GLU A 88 16.253 7.561 5.020 1.00 0.00 O ATOM 1350 CB GLU A 88 15.700 4.762 3.215 1.00 0.00 C ATOM 1351 CG GLU A 88 16.635 3.582 2.995 1.00 0.00 C ATOM 1352 CD GLU A 88 17.542 3.771 1.794 1.00 0.00 C ATOM 1353 OE1 GLU A 88 17.103 4.405 0.813 1.00 0.00 O ATOM 1354 OE2 GLU A 88 18.692 3.285 1.838 1.00 0.00 O ATOM 0 H GLU A 88 13.965 4.058 4.865 1.00 0.00 H new ATOM 0 HA GLU A 88 16.647 5.088 5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.691 4.476 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.003 5.582 2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.245 3.436 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.045 2.676 2.860 1.00 0.00 H new ATOM 1361 N ARG A 89 14.153 7.123 4.342 1.00 0.00 N ATOM 1362 CA ARG A 89 13.748 8.523 4.327 1.00 0.00 C ATOM 1363 C ARG A 89 13.882 9.145 5.715 1.00 0.00 C ATOM 1364 O ARG A 89 14.099 10.350 5.845 1.00 0.00 O ATOM 1365 CB ARG A 89 12.306 8.654 3.832 1.00 0.00 C ATOM 1366 CG ARG A 89 11.289 7.972 4.732 1.00 0.00 C ATOM 1367 CD ARG A 89 9.971 8.732 4.769 1.00 0.00 C ATOM 1368 NE ARG A 89 9.772 9.425 6.042 1.00 0.00 N ATOM 1369 CZ ARG A 89 10.091 10.701 6.257 1.00 0.00 C ATOM 1370 NH1 ARG A 89 10.622 11.439 5.290 1.00 0.00 N ATOM 1371 NH2 ARG A 89 9.874 11.242 7.448 1.00 0.00 N ATOM 0 H ARG A 89 13.420 6.469 4.067 1.00 0.00 H new ATOM 0 HA ARG A 89 14.408 9.058 3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.054 9.711 3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.235 8.230 2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.113 6.956 4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.692 7.893 5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.947 9.456 3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.148 8.038 4.602 1.00 0.00 H new ATOM 0 HE ARG A 89 9.363 8.898 6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.790 11.031 4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.862 12.415 5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.464 10.682 8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.117 12.218 7.617 1.00 0.00 H new ATOM 1385 N LYS A 90 13.750 8.317 6.746 1.00 0.00 N ATOM 1386 CA LYS A 90 13.856 8.789 8.122 1.00 0.00 C ATOM 1387 C LYS A 90 15.318 8.976 8.520 1.00 0.00 C ATOM 1388 O LYS A 90 15.820 8.300 9.419 1.00 0.00 O ATOM 1389 CB LYS A 90 13.173 7.805 9.073 1.00 0.00 C ATOM 1390 CG LYS A 90 11.656 7.905 9.066 1.00 0.00 C ATOM 1391 CD LYS A 90 11.165 8.983 10.019 1.00 0.00 C ATOM 1392 CE LYS A 90 10.910 8.423 11.410 1.00 0.00 C ATOM 1393 NZ LYS A 90 11.397 9.341 12.477 1.00 0.00 N ATOM 0 H LYS A 90 13.570 7.317 6.655 1.00 0.00 H new ATOM 0 HA LYS A 90 13.355 9.754 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 90 13.463 6.790 8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.536 7.980 10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.309 8.125 8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.226 6.944 9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.904 9.783 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.248 9.424 9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.842 8.249 11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.405 7.457 11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.204 8.923 13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.421 9.488 12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.906 10.255 12.399 1.00 0.00 H new ATOM 1407 N GLN A 91 15.995 9.898 7.846 1.00 0.00 N ATOM 1408 CA GLN A 91 17.399 10.177 8.127 1.00 0.00 C ATOM 1409 C GLN A 91 17.547 11.435 8.977 1.00 0.00 C ATOM 1410 O GLN A 91 18.510 11.578 9.729 1.00 0.00 O ATOM 1411 CB GLN A 91 18.181 10.333 6.821 1.00 0.00 C ATOM 1412 CG GLN A 91 18.841 9.047 6.350 1.00 0.00 C ATOM 1413 CD GLN A 91 20.354 9.095 6.456 1.00 0.00 C ATOM 1414 OE1 GLN A 91 21.021 9.768 5.671 1.00 0.00 O ATOM 1415 NE2 GLN A 91 20.902 8.379 7.431 1.00 0.00 N ATOM 0 H GLN A 91 15.594 10.466 7.100 1.00 0.00 H new ATOM 0 HA GLN A 91 17.805 9.335 8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.506 10.691 6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 91 18.947 11.097 6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.465 8.212 6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.559 8.856 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 91 20.310 7.835 8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.915 8.373 7.552 1.00 0.00 H new ATOM 1424 N GLN A 92 16.586 12.347 8.851 1.00 0.00 N ATOM 1425 CA GLN A 92 16.612 13.595 9.607 1.00 0.00 C ATOM 1426 C GLN A 92 16.672 13.324 11.107 1.00 0.00 C ATOM 1427 O GLN A 92 16.012 12.414 11.610 1.00 0.00 O ATOM 1428 CB GLN A 92 15.380 14.439 9.279 1.00 0.00 C ATOM 1429 CG GLN A 92 15.276 14.819 7.810 1.00 0.00 C ATOM 1430 CD GLN A 92 15.556 16.289 7.567 1.00 0.00 C ATOM 1431 OE1 GLN A 92 14.672 17.043 7.161 1.00 0.00 O ATOM 1432 NE2 GLN A 92 16.793 16.703 7.814 1.00 0.00 N ATOM 0 H GLN A 92 15.781 12.245 8.233 1.00 0.00 H new ATOM 0 HA GLN A 92 17.509 14.145 9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.485 13.888 9.567 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.402 15.348 9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.979 14.219 7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.277 14.578 7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.494 16.043 8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.042 17.681 7.668 1.00 0.00 H new ATOM 1441 N SER A 93 17.465 14.120 11.816 1.00 0.00 N ATOM 1442 CA SER A 93 17.611 13.966 13.259 1.00 0.00 C ATOM 1443 C SER A 93 17.644 15.325 13.949 1.00 0.00 C ATOM 1444 O SER A 93 16.954 15.544 14.945 1.00 0.00 O ATOM 1445 CB SER A 93 18.886 13.186 13.583 1.00 0.00 C ATOM 1446 OG SER A 93 19.956 13.587 12.746 1.00 0.00 O ATOM 0 H SER A 93 18.017 14.878 11.415 1.00 0.00 H new ATOM 0 HA SER A 93 16.750 13.410 13.630 1.00 0.00 H new ATOM 0 HB2 SER A 93 19.158 13.345 14.627 1.00 0.00 H new ATOM 0 HB3 SER A 93 18.704 12.118 13.460 1.00 0.00 H new ATOM 0 HG SER A 93 20.760 13.075 12.974 1.00 0.00 H new ATOM 1452 N GLY A 94 18.450 16.236 13.414 1.00 0.00 N ATOM 1453 CA GLY A 94 18.558 17.563 13.992 1.00 0.00 C ATOM 1454 C GLY A 94 19.769 18.322 13.480 1.00 0.00 C ATOM 1455 O GLY A 94 20.320 17.980 12.435 1.00 0.00 O ATOM 0 H GLY A 94 19.031 16.079 12.590 1.00 0.00 H new ATOM 0 HA2 GLY A 94 17.655 18.130 13.765 1.00 0.00 H new ATOM 0 HA3 GLY A 94 18.617 17.480 15.077 1.00 0.00 H new ATOM 1459 N PRO A 95 20.209 19.365 14.204 1.00 0.00 N ATOM 1460 CA PRO A 95 21.369 20.169 13.804 1.00 0.00 C ATOM 1461 C PRO A 95 22.679 19.400 13.938 1.00 0.00 C ATOM 1462 O PRO A 95 22.910 18.714 14.934 1.00 0.00 O ATOM 1463 CB PRO A 95 21.339 21.347 14.780 1.00 0.00 C ATOM 1464 CG PRO A 95 20.625 20.827 15.980 1.00 0.00 C ATOM 1465 CD PRO A 95 19.612 19.844 15.464 1.00 0.00 C ATOM 0 HA PRO A 95 21.318 20.465 12.756 1.00 0.00 H new ATOM 0 HB2 PRO A 95 22.346 21.678 15.032 1.00 0.00 H new ATOM 0 HB3 PRO A 95 20.820 22.204 14.351 1.00 0.00 H new ATOM 0 HG2 PRO A 95 21.319 20.347 16.670 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.141 21.636 16.527 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.450 19.027 16.168 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.644 20.316 15.296 1.00 0.00 H new ATOM 1473 N SER A 96 23.535 19.518 12.927 1.00 0.00 N ATOM 1474 CA SER A 96 24.822 18.834 12.931 1.00 0.00 C ATOM 1475 C SER A 96 25.895 19.690 12.266 1.00 0.00 C ATOM 1476 O SER A 96 26.787 19.172 11.592 1.00 0.00 O ATOM 1477 CB SER A 96 24.709 17.488 12.216 1.00 0.00 C ATOM 1478 OG SER A 96 24.152 16.502 13.068 1.00 0.00 O ATOM 0 H SER A 96 23.360 20.081 12.095 1.00 0.00 H new ATOM 0 HA SER A 96 25.112 18.663 13.968 1.00 0.00 H new ATOM 0 HB2 SER A 96 24.089 17.596 11.326 1.00 0.00 H new ATOM 0 HB3 SER A 96 25.695 17.167 11.880 1.00 0.00 H new ATOM 0 HG SER A 96 23.751 16.935 13.851 1.00 0.00 H new ATOM 1484 N SER A 97 25.802 21.002 12.457 1.00 0.00 N ATOM 1485 CA SER A 97 26.766 21.929 11.875 1.00 0.00 C ATOM 1486 C SER A 97 26.762 21.833 10.353 1.00 0.00 C ATOM 1487 O SER A 97 27.789 22.038 9.705 1.00 0.00 O ATOM 1488 CB SER A 97 28.169 21.642 12.412 1.00 0.00 C ATOM 1489 OG SER A 97 28.155 21.486 13.820 1.00 0.00 O ATOM 0 H SER A 97 25.069 21.447 13.010 1.00 0.00 H new ATOM 0 HA SER A 97 26.476 22.941 12.158 1.00 0.00 H new ATOM 0 HB2 SER A 97 28.562 20.738 11.947 1.00 0.00 H new ATOM 0 HB3 SER A 97 28.839 22.457 12.140 1.00 0.00 H new ATOM 0 HG SER A 97 29.064 21.302 14.138 1.00 0.00 H new ATOM 1495 N GLY A 98 25.601 21.517 9.788 1.00 0.00 N ATOM 1496 CA GLY A 98 25.485 21.400 8.346 1.00 0.00 C ATOM 1497 C GLY A 98 26.098 20.117 7.819 1.00 0.00 C ATOM 1498 O GLY A 98 27.280 19.854 8.125 1.00 0.00 O ATOM 1499 OXT GLY A 98 25.395 19.375 7.101 1.00 0.00 O ATOM 0 H GLY A 98 24.739 21.340 10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 98 24.433 21.439 8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 98 25.973 22.253 7.875 1.00 0.00 H new TER 1503 GLY A 98