USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 655 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 70 SER OG : rot -150:sc= -1.11 USER MOD Set 1.2: A 73 ASN : amide:sc= -0.0389 X(o=-1.1,f=-1.5) USER MOD Set 2.1: A 32 LYS NZ :NH3+ 155:sc= 0.695 (180deg=0) USER MOD Set 2.2: A 82 SER OG : rot -114:sc= 0.604 USER MOD Single : A 3 GLN : amide:sc= -0.0376 K(o=-0.038,f=-0.55) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 18 GLN : amide:sc= -0.982 K(o=-0.98,f=-5!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 71:sc= 0.0532 USER MOD Single : A 31 TYR OH : rot -130:sc= 0.0531 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.145 F(o=-1.6,f=-0.15) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0886 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0627 F(o=-1.2,f=-0.063) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.93 USER MOD Single : A 64 ASN : amide:sc= -0.323 K(o=-0.32,f=-3.1!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.146 USER MOD Single : A 71 SER OG : rot 180:sc= 0.005 USER MOD Single : A 75 TYR OH : rot -143:sc= 1.25 USER MOD Single : A 85 SER OG : rot 180:sc=0.000644 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 89 GLN : amide:sc= -0.553 K(o=-0.55,f=-5.4!) USER MOD Single : A 91 ASN : amide:sc= -0.0651 K(o=-0.065,f=-2.8!) USER MOD Single : A 96 THR OG1 : rot -48:sc= -0.0389 USER MOD Single : A 98 LYS NZ :NH3+ -143:sc= 0.409! (180deg=-3.96!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 14.756 -0.996 3.451 1.00 0.15 N ATOM 21 CA VAL A 2 13.505 -0.407 2.992 1.00 0.10 C ATOM 22 C VAL A 2 12.504 -0.351 4.154 1.00 0.09 C ATOM 23 O VAL A 2 12.593 -1.135 5.101 1.00 0.12 O ATOM 24 CB VAL A 2 12.888 -1.183 1.794 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.652 -0.478 1.296 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.878 -1.326 0.653 1.00 0.09 C ATOM 0 HA VAL A 2 13.726 0.601 2.641 1.00 0.10 H new ATOM 0 HB VAL A 2 12.626 -2.179 2.150 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.230 -1.032 0.457 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.917 -0.421 2.099 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.914 0.529 0.971 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.412 -1.873 -0.166 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.177 -0.337 0.305 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.757 -1.870 1.000 1.00 0.09 H new ATOM 36 N GLN A 3 11.579 0.593 4.077 1.00 0.09 N ATOM 37 CA GLN A 3 10.569 0.819 5.092 1.00 0.10 C ATOM 38 C GLN A 3 9.204 0.710 4.434 1.00 0.11 C ATOM 39 O GLN A 3 9.119 0.710 3.208 1.00 0.17 O ATOM 40 CB GLN A 3 10.733 2.220 5.677 1.00 0.16 C ATOM 41 CG GLN A 3 12.060 2.477 6.349 1.00 0.79 C ATOM 42 CD GLN A 3 12.348 1.525 7.496 1.00 1.14 C ATOM 43 OE1 GLN A 3 11.438 1.037 8.167 1.00 1.37 O ATOM 44 NE2 GLN A 3 13.622 1.254 7.729 1.00 2.03 N ATOM 0 H GLN A 3 11.510 1.236 3.288 1.00 0.09 H new ATOM 0 HA GLN A 3 10.669 0.084 5.891 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.600 2.949 4.878 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.936 2.391 6.401 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.856 2.394 5.609 1.00 0.79 H new ATOM 0 HG3 GLN A 3 12.078 3.501 6.723 1.00 0.79 H new ATOM 0 HE21 GLN A 3 14.348 1.678 7.151 1.00 2.03 H new ATOM 0 HE22 GLN A 3 13.878 0.621 8.487 1.00 2.03 H new ATOM 53 N CYS A 4 8.137 0.624 5.211 1.00 0.12 N ATOM 54 CA CYS A 4 6.827 0.484 4.609 1.00 0.13 C ATOM 55 C CYS A 4 5.719 1.043 5.492 1.00 0.17 C ATOM 56 O CYS A 4 5.835 1.111 6.718 1.00 0.29 O ATOM 57 CB CYS A 4 6.551 -0.982 4.274 1.00 0.17 C ATOM 58 SG CYS A 4 5.751 -1.929 5.608 1.00 0.30 S ATOM 0 H CYS A 4 8.151 0.648 6.231 1.00 0.12 H new ATOM 0 HA CYS A 4 6.831 1.070 3.690 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.919 -1.025 3.387 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.494 -1.466 4.018 1.00 0.17 H new ATOM 63 N GLU A 5 4.671 1.481 4.822 1.00 0.14 N ATOM 64 CA GLU A 5 3.440 1.942 5.429 1.00 0.16 C ATOM 65 C GLU A 5 2.331 1.776 4.400 1.00 0.15 C ATOM 66 O GLU A 5 2.602 1.379 3.269 1.00 0.17 O ATOM 67 CB GLU A 5 3.557 3.388 5.901 1.00 0.24 C ATOM 68 CG GLU A 5 4.563 4.171 5.115 1.00 0.33 C ATOM 69 CD GLU A 5 4.883 5.521 5.726 1.00 1.14 C ATOM 70 OE1 GLU A 5 4.029 6.427 5.661 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.996 5.684 6.267 1.00 1.87 O ATOM 0 H GLU A 5 4.654 1.527 3.803 1.00 0.14 H new ATOM 0 HA GLU A 5 3.216 1.353 6.318 1.00 0.16 H new ATOM 0 HB2 GLU A 5 2.583 3.872 5.822 1.00 0.24 H new ATOM 0 HB3 GLU A 5 3.835 3.401 6.955 1.00 0.24 H new ATOM 0 HG2 GLU A 5 5.482 3.590 5.033 1.00 0.33 H new ATOM 0 HG3 GLU A 5 4.188 4.318 4.102 1.00 0.33 H new ATOM 78 N VAL A 6 1.098 2.046 4.767 1.00 0.17 N ATOM 79 CA VAL A 6 -0.014 1.777 3.889 1.00 0.18 C ATOM 80 C VAL A 6 -0.944 2.965 3.784 1.00 0.21 C ATOM 81 O VAL A 6 -1.226 3.651 4.769 1.00 0.33 O ATOM 82 CB VAL A 6 -0.798 0.548 4.355 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.192 -0.727 3.787 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.810 0.502 5.870 1.00 0.20 C ATOM 0 H VAL A 6 0.842 2.451 5.667 1.00 0.17 H new ATOM 0 HA VAL A 6 0.403 1.579 2.901 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.822 0.622 3.990 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.766 -1.587 4.132 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.216 -0.687 2.698 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.840 -0.821 4.124 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.368 -0.373 6.203 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.213 0.442 6.240 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.284 1.404 6.258 1.00 0.20 H new ATOM 94 N GLU A 7 -1.405 3.196 2.573 1.00 0.16 N ATOM 95 CA GLU A 7 -2.222 4.355 2.264 1.00 0.16 C ATOM 96 C GLU A 7 -3.436 3.990 1.438 1.00 0.16 C ATOM 97 O GLU A 7 -3.476 2.956 0.771 1.00 0.28 O ATOM 98 CB GLU A 7 -1.406 5.373 1.476 1.00 0.26 C ATOM 99 CG GLU A 7 -0.070 5.691 2.098 1.00 0.24 C ATOM 100 CD GLU A 7 -0.105 6.938 2.955 1.00 1.05 C ATOM 101 OE1 GLU A 7 -0.525 7.999 2.457 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.304 6.868 4.134 1.00 1.11 O ATOM 0 H GLU A 7 -1.225 2.588 1.774 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.553 4.771 3.215 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.246 4.994 0.467 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -1.982 6.294 1.383 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.253 4.846 2.706 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.672 5.818 1.310 1.00 0.24 H new ATOM 109 N ALA A 8 -4.415 4.866 1.493 1.00 0.14 N ATOM 110 CA ALA A 8 -5.567 4.805 0.627 1.00 0.12 C ATOM 111 C ALA A 8 -5.840 6.216 0.107 1.00 0.15 C ATOM 112 O ALA A 8 -5.979 7.149 0.894 1.00 0.17 O ATOM 113 CB ALA A 8 -6.752 4.275 1.401 1.00 0.13 C ATOM 0 H ALA A 8 -4.432 5.648 2.148 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.388 4.135 -0.214 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.623 4.229 0.747 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.525 3.276 1.775 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.964 4.937 2.241 1.00 0.13 H new ATOM 119 N ALA A 9 -5.898 6.381 -1.201 1.00 0.16 N ATOM 120 CA ALA A 9 -6.047 7.702 -1.792 1.00 0.19 C ATOM 121 C ALA A 9 -7.427 7.868 -2.406 1.00 0.19 C ATOM 122 O ALA A 9 -7.710 7.339 -3.478 1.00 0.20 O ATOM 123 CB ALA A 9 -4.968 7.928 -2.839 1.00 0.22 C ATOM 0 H ALA A 9 -5.844 5.618 -1.876 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.937 8.448 -1.005 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.087 8.919 -3.276 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -3.986 7.853 -2.372 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -5.056 7.174 -3.621 1.00 0.22 H new ATOM 129 N VAL A 10 -8.280 8.614 -1.733 1.00 0.22 N ATOM 130 CA VAL A 10 -9.647 8.778 -2.181 1.00 0.23 C ATOM 131 C VAL A 10 -9.769 9.907 -3.191 1.00 0.27 C ATOM 132 O VAL A 10 -9.268 11.012 -2.979 1.00 0.33 O ATOM 133 CB VAL A 10 -10.609 9.042 -1.009 1.00 0.25 C ATOM 134 CG1 VAL A 10 -12.022 9.262 -1.528 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.573 7.887 -0.021 1.00 0.27 C ATOM 0 H VAL A 10 -8.050 9.115 -0.875 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.927 7.839 -2.657 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.288 9.945 -0.489 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.693 9.448 -0.689 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -12.034 10.121 -2.199 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.353 8.375 -2.068 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.259 8.090 0.801 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.872 6.968 -0.525 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.562 7.774 0.370 1.00 0.27 H new ATOM 145 N SER A 11 -10.438 9.610 -4.285 1.00 0.29 N ATOM 146 CA SER A 11 -10.721 10.581 -5.318 1.00 0.36 C ATOM 147 C SER A 11 -12.233 10.744 -5.447 1.00 0.45 C ATOM 148 O SER A 11 -12.988 10.078 -4.738 1.00 0.63 O ATOM 149 CB SER A 11 -10.116 10.122 -6.638 1.00 0.45 C ATOM 150 OG SER A 11 -8.785 9.656 -6.459 1.00 1.22 O ATOM 0 H SER A 11 -10.804 8.679 -4.483 1.00 0.29 H new ATOM 0 HA SER A 11 -10.280 11.542 -5.055 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.728 9.327 -7.065 1.00 0.45 H new ATOM 0 HB3 SER A 11 -10.123 10.947 -7.350 1.00 0.45 H new ATOM 0 HG SER A 11 -8.421 9.366 -7.322 1.00 1.22 H new ATOM 156 N GLY A 12 -12.673 11.634 -6.326 1.00 0.45 N ATOM 157 CA GLY A 12 -14.098 11.835 -6.530 1.00 0.54 C ATOM 158 C GLY A 12 -14.807 10.582 -7.019 1.00 0.49 C ATOM 159 O GLY A 12 -14.781 10.273 -8.211 1.00 0.61 O ATOM 0 H GLY A 12 -12.071 12.221 -6.902 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.552 12.162 -5.594 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.247 12.637 -7.253 1.00 0.54 H new ATOM 163 N GLY A 13 -15.405 9.843 -6.090 1.00 0.45 N ATOM 164 CA GLY A 13 -16.190 8.675 -6.444 1.00 0.48 C ATOM 165 C GLY A 13 -15.389 7.383 -6.425 1.00 0.41 C ATOM 166 O GLY A 13 -15.955 6.289 -6.416 1.00 0.45 O ATOM 0 H GLY A 13 -15.359 10.035 -5.089 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -17.027 8.585 -5.752 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.612 8.818 -7.439 1.00 0.48 H new ATOM 170 N HIS A 14 -14.069 7.500 -6.405 1.00 0.34 N ATOM 171 CA HIS A 14 -13.195 6.331 -6.464 1.00 0.31 C ATOM 172 C HIS A 14 -12.131 6.414 -5.381 1.00 0.30 C ATOM 173 O HIS A 14 -11.895 7.477 -4.826 1.00 0.43 O ATOM 174 CB HIS A 14 -12.522 6.217 -7.838 1.00 0.34 C ATOM 175 CG HIS A 14 -13.479 6.058 -8.980 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.719 4.852 -9.602 1.00 1.56 N ATOM 177 CD2 HIS A 14 -14.256 6.965 -9.615 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.601 5.027 -10.567 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.944 6.299 -10.595 1.00 1.82 N ATOM 0 H HIS A 14 -13.577 8.392 -6.348 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.808 5.445 -6.302 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.916 7.107 -8.008 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.842 5.365 -7.827 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -14.322 8.019 -9.391 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -14.979 4.257 -11.224 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.612 6.719 -11.241 1.00 1.82 H new ATOM 188 N VAL A 15 -11.501 5.295 -5.075 1.00 0.23 N ATOM 189 CA VAL A 15 -10.424 5.281 -4.102 1.00 0.20 C ATOM 190 C VAL A 15 -9.248 4.454 -4.618 1.00 0.18 C ATOM 191 O VAL A 15 -9.375 3.267 -4.894 1.00 0.17 O ATOM 192 CB VAL A 15 -10.905 4.771 -2.711 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.556 3.396 -2.794 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.755 4.753 -1.715 1.00 0.17 C ATOM 0 H VAL A 15 -11.716 4.386 -5.485 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.088 6.309 -3.964 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.665 5.470 -2.362 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.875 3.084 -1.799 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.422 3.443 -3.454 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.838 2.677 -3.188 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.114 4.393 -0.751 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.969 4.091 -2.079 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.357 5.761 -1.601 1.00 0.17 H new ATOM 204 N THR A 16 -8.112 5.103 -4.772 1.00 0.17 N ATOM 205 CA THR A 16 -6.906 4.447 -5.238 1.00 0.16 C ATOM 206 C THR A 16 -6.052 4.052 -4.047 1.00 0.14 C ATOM 207 O THR A 16 -5.603 4.901 -3.294 1.00 0.15 O ATOM 208 CB THR A 16 -6.098 5.381 -6.158 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.851 5.682 -7.339 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.762 4.759 -6.531 1.00 0.19 C ATOM 0 H THR A 16 -7.998 6.098 -4.578 1.00 0.17 H new ATOM 0 HA THR A 16 -7.190 3.559 -5.803 1.00 0.16 H new ATOM 0 HB THR A 16 -5.901 6.306 -5.616 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.329 6.278 -7.917 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.212 5.440 -7.181 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.182 4.573 -5.627 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.932 3.817 -7.053 1.00 0.19 H new ATOM 218 N LEU A 17 -5.823 2.773 -3.878 1.00 0.12 N ATOM 219 CA LEU A 17 -5.141 2.297 -2.699 1.00 0.10 C ATOM 220 C LEU A 17 -3.757 1.775 -3.051 1.00 0.13 C ATOM 221 O LEU A 17 -3.588 1.095 -4.061 1.00 0.17 O ATOM 222 CB LEU A 17 -5.970 1.225 -2.036 1.00 0.11 C ATOM 223 CG LEU A 17 -5.876 1.209 -0.520 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.244 0.976 0.073 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.881 0.166 -0.051 1.00 0.11 C ATOM 0 H LEU A 17 -6.097 2.045 -4.538 1.00 0.12 H new ATOM 0 HA LEU A 17 -5.013 3.125 -2.002 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -7.013 1.360 -2.322 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.658 0.253 -2.418 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.513 2.177 -0.176 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.172 0.965 1.161 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.916 1.775 -0.238 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.633 0.019 -0.274 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.832 0.174 1.038 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.198 -0.819 -0.393 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.897 0.392 -0.461 1.00 0.11 H new ATOM 237 N GLN A 18 -2.772 2.136 -2.237 1.00 0.15 N ATOM 238 CA GLN A 18 -1.394 1.719 -2.443 1.00 0.19 C ATOM 239 C GLN A 18 -0.577 1.950 -1.171 1.00 0.24 C ATOM 240 O GLN A 18 -0.846 2.882 -0.416 1.00 0.51 O ATOM 241 CB GLN A 18 -0.790 2.476 -3.628 1.00 0.32 C ATOM 242 CG GLN A 18 -1.228 3.930 -3.719 1.00 0.78 C ATOM 243 CD GLN A 18 -0.743 4.608 -4.983 1.00 1.03 C ATOM 244 OE1 GLN A 18 0.333 5.202 -5.014 1.00 1.58 O ATOM 245 NE2 GLN A 18 -1.532 4.521 -6.037 1.00 1.77 N ATOM 0 H GLN A 18 -2.908 2.726 -1.416 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.373 0.653 -2.671 1.00 0.19 H new ATOM 0 HB2 GLN A 18 0.297 2.438 -3.555 1.00 0.32 H new ATOM 0 HB3 GLN A 18 -1.065 1.965 -4.551 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -2.316 3.981 -3.679 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -0.851 4.474 -2.853 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -2.418 4.019 -5.971 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -1.256 4.956 -6.918 1.00 1.77 H new ATOM 254 N GLY A 19 0.416 1.102 -0.935 1.00 0.17 N ATOM 255 CA GLY A 19 1.205 1.199 0.284 1.00 0.18 C ATOM 256 C GLY A 19 2.499 1.959 0.073 1.00 0.18 C ATOM 257 O GLY A 19 3.190 1.738 -0.911 1.00 0.19 O ATOM 0 H GLY A 19 0.691 0.348 -1.564 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.617 1.695 1.056 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.430 0.197 0.649 1.00 0.18 H new ATOM 261 N VAL A 20 2.842 2.841 1.000 1.00 0.17 N ATOM 262 CA VAL A 20 4.035 3.664 0.853 1.00 0.18 C ATOM 263 C VAL A 20 5.255 2.981 1.432 1.00 0.21 C ATOM 264 O VAL A 20 5.275 2.549 2.572 1.00 0.45 O ATOM 265 CB VAL A 20 3.860 5.064 1.484 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.204 5.686 1.855 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.112 5.976 0.525 1.00 0.20 C ATOM 0 H VAL A 20 2.315 3.005 1.858 1.00 0.17 H new ATOM 0 HA VAL A 20 4.186 3.797 -0.218 1.00 0.18 H new ATOM 0 HB VAL A 20 3.282 4.947 2.401 1.00 0.19 H new ATOM 0 HG11 VAL A 20 5.041 6.669 2.296 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.715 5.046 2.575 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.818 5.787 0.960 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.993 6.961 0.977 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.676 6.069 -0.403 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.130 5.553 0.312 1.00 0.20 H new ATOM 277 N ILE A 21 6.259 2.873 0.609 1.00 0.13 N ATOM 278 CA ILE A 21 7.535 2.339 0.999 1.00 0.11 C ATOM 279 C ILE A 21 8.553 3.454 1.089 1.00 0.13 C ATOM 280 O ILE A 21 8.981 3.996 0.078 1.00 0.14 O ATOM 281 CB ILE A 21 7.992 1.291 -0.029 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.428 -0.059 0.337 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.506 1.213 -0.152 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.531 -1.028 -0.794 1.00 0.10 C ATOM 0 H ILE A 21 6.214 3.158 -0.369 1.00 0.13 H new ATOM 0 HA ILE A 21 7.444 1.865 1.976 1.00 0.11 H new ATOM 0 HB ILE A 21 7.612 1.601 -1.002 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.961 -0.453 1.203 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.383 0.050 0.628 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.773 0.457 -0.891 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.896 2.181 -0.466 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.936 0.944 0.813 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.114 -1.988 -0.490 1.00 0.10 H new ATOM 0 HD12 ILE A 21 6.976 -0.647 -1.651 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.578 -1.158 -1.068 1.00 0.10 H new ATOM 296 N THR A 22 8.917 3.841 2.282 1.00 0.13 N ATOM 297 CA THR A 22 10.046 4.719 2.412 1.00 0.14 C ATOM 298 C THR A 22 11.277 3.874 2.276 1.00 0.14 C ATOM 299 O THR A 22 11.372 2.822 2.872 1.00 0.18 O ATOM 300 CB THR A 22 10.093 5.464 3.745 1.00 0.16 C ATOM 301 OG1 THR A 22 8.773 5.875 4.132 1.00 0.20 O ATOM 302 CG2 THR A 22 10.993 6.679 3.612 1.00 0.17 C ATOM 0 H THR A 22 8.463 3.571 3.155 1.00 0.13 H new ATOM 0 HA THR A 22 9.973 5.486 1.641 1.00 0.14 H new ATOM 0 HB THR A 22 10.490 4.799 4.512 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.816 6.350 4.988 1.00 0.20 H new ATOM 0 HG21 THR A 22 11.028 7.212 4.562 1.00 0.17 H new ATOM 0 HG22 THR A 22 11.998 6.359 3.339 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.600 7.340 2.840 1.00 0.17 H new ATOM 310 N ALA A 23 12.206 4.295 1.482 1.00 0.12 N ATOM 311 CA ALA A 23 13.385 3.505 1.293 1.00 0.12 C ATOM 312 C ALA A 23 14.585 4.318 1.671 1.00 0.14 C ATOM 313 O ALA A 23 14.791 5.383 1.138 1.00 0.16 O ATOM 314 CB ALA A 23 13.453 3.051 -0.139 1.00 0.11 C ATOM 0 H ALA A 23 12.177 5.170 0.958 1.00 0.12 H new ATOM 0 HA ALA A 23 13.359 2.619 1.928 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.349 2.449 -0.288 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.572 2.454 -0.374 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.487 3.921 -0.795 1.00 0.11 H new ATOM 320 N VAL A 24 15.357 3.839 2.617 1.00 0.16 N ATOM 321 CA VAL A 24 16.475 4.616 3.126 1.00 0.18 C ATOM 322 C VAL A 24 17.656 4.657 2.140 1.00 0.20 C ATOM 323 O VAL A 24 18.656 5.332 2.380 1.00 0.25 O ATOM 324 CB VAL A 24 16.946 4.088 4.495 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.066 4.950 5.054 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.775 4.045 5.457 1.00 0.23 C ATOM 0 H VAL A 24 15.238 2.923 3.051 1.00 0.16 H new ATOM 0 HA VAL A 24 16.111 5.636 3.249 1.00 0.18 H new ATOM 0 HB VAL A 24 17.337 3.079 4.365 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.380 4.556 6.021 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.911 4.940 4.366 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.711 5.973 5.177 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.112 3.671 6.424 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.367 5.048 5.578 1.00 0.23 H new ATOM 0 HG23 VAL A 24 15.003 3.385 5.062 1.00 0.23 H new ATOM 336 N ARG A 25 17.552 3.965 1.013 1.00 0.21 N ATOM 337 CA ARG A 25 18.651 3.965 0.061 1.00 0.24 C ATOM 338 C ARG A 25 18.180 4.168 -1.378 1.00 0.23 C ATOM 339 O ARG A 25 17.172 3.603 -1.801 1.00 0.26 O ATOM 340 CB ARG A 25 19.443 2.679 0.191 1.00 0.33 C ATOM 341 CG ARG A 25 20.187 2.594 1.502 1.00 0.40 C ATOM 342 CD ARG A 25 21.379 3.520 1.503 1.00 0.73 C ATOM 343 NE ARG A 25 22.118 3.473 2.765 1.00 0.80 N ATOM 344 CZ ARG A 25 22.116 4.457 3.663 1.00 1.41 C ATOM 345 NH1 ARG A 25 21.335 5.516 3.494 1.00 2.18 N ATOM 346 NH2 ARG A 25 22.877 4.375 4.747 1.00 1.42 N ATOM 0 H ARG A 25 16.740 3.411 0.741 1.00 0.21 H new ATOM 0 HA ARG A 25 19.293 4.813 0.300 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.767 1.828 0.104 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.153 2.608 -0.633 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.518 2.854 2.322 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.517 1.569 1.672 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.046 3.251 0.684 1.00 0.73 H new ATOM 0 HD3 ARG A 25 21.044 4.541 1.319 1.00 0.73 H new ATOM 0 HE ARG A 25 22.667 2.638 2.969 1.00 0.80 H new ATOM 0 HH11 ARG A 25 20.732 5.579 2.674 1.00 2.18 H new ATOM 0 HH12 ARG A 25 21.337 6.267 4.185 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.467 3.556 4.895 1.00 1.42 H new ATOM 0 HH22 ARG A 25 22.872 5.131 5.432 1.00 1.42 H new ATOM 360 N ASP A 26 18.920 5.000 -2.115 1.00 0.23 N ATOM 361 CA ASP A 26 18.611 5.299 -3.509 1.00 0.25 C ATOM 362 C ASP A 26 18.916 4.101 -4.391 1.00 0.24 C ATOM 363 O ASP A 26 19.947 3.446 -4.225 1.00 0.32 O ATOM 364 CB ASP A 26 19.421 6.491 -4.013 1.00 0.31 C ATOM 365 CG ASP A 26 19.411 7.680 -3.075 1.00 0.78 C ATOM 366 OD1 ASP A 26 18.391 8.400 -3.041 1.00 1.54 O ATOM 367 OD2 ASP A 26 20.411 7.901 -2.364 1.00 0.73 O ATOM 0 H ASP A 26 19.746 5.482 -1.761 1.00 0.23 H new ATOM 0 HA ASP A 26 17.549 5.539 -3.559 1.00 0.25 H new ATOM 0 HB2 ASP A 26 20.452 6.176 -4.173 1.00 0.31 H new ATOM 0 HB3 ASP A 26 19.028 6.801 -4.981 1.00 0.31 H new ATOM 372 N GLY A 27 18.028 3.819 -5.322 1.00 0.24 N ATOM 373 CA GLY A 27 18.236 2.728 -6.241 1.00 0.26 C ATOM 374 C GLY A 27 16.942 2.022 -6.547 1.00 0.21 C ATOM 375 O GLY A 27 15.947 2.662 -6.880 1.00 0.23 O ATOM 0 H GLY A 27 17.157 4.332 -5.459 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.675 3.105 -7.165 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.948 2.021 -5.815 1.00 0.26 H new ATOM 379 N ALA A 28 16.944 0.712 -6.417 1.00 0.19 N ATOM 380 CA ALA A 28 15.747 -0.078 -6.637 1.00 0.18 C ATOM 381 C ALA A 28 15.655 -1.187 -5.602 1.00 0.24 C ATOM 382 O ALA A 28 16.661 -1.573 -5.005 1.00 0.45 O ATOM 383 CB ALA A 28 15.739 -0.656 -8.043 1.00 0.21 C ATOM 0 H ALA A 28 17.766 0.167 -6.158 1.00 0.19 H new ATOM 0 HA ALA A 28 14.877 0.570 -6.531 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.834 -1.245 -8.189 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.765 0.156 -8.770 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.613 -1.293 -8.179 1.00 0.21 H new ATOM 389 N GLY A 29 14.452 -1.685 -5.383 1.00 0.15 N ATOM 390 CA GLY A 29 14.247 -2.754 -4.442 1.00 0.19 C ATOM 391 C GLY A 29 13.046 -3.575 -4.828 1.00 0.17 C ATOM 392 O GLY A 29 12.347 -3.238 -5.783 1.00 0.21 O ATOM 0 H GLY A 29 13.604 -1.361 -5.849 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.132 -3.389 -4.406 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.108 -2.344 -3.442 1.00 0.19 H new ATOM 396 N SER A 30 12.787 -4.632 -4.093 1.00 0.15 N ATOM 397 CA SER A 30 11.668 -5.497 -4.413 1.00 0.15 C ATOM 398 C SER A 30 10.727 -5.619 -3.225 1.00 0.13 C ATOM 399 O SER A 30 11.161 -5.760 -2.081 1.00 0.14 O ATOM 400 CB SER A 30 12.164 -6.869 -4.862 1.00 0.20 C ATOM 401 OG SER A 30 13.064 -7.434 -3.920 1.00 0.23 O ATOM 0 H SER A 30 13.329 -4.914 -3.276 1.00 0.15 H new ATOM 0 HA SER A 30 11.112 -5.051 -5.238 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.314 -7.537 -4.999 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.658 -6.779 -5.829 1.00 0.20 H new ATOM 0 HG SER A 30 12.572 -7.698 -3.115 1.00 0.23 H new ATOM 407 N TYR A 31 9.439 -5.555 -3.514 1.00 0.13 N ATOM 408 CA TYR A 31 8.410 -5.544 -2.490 1.00 0.11 C ATOM 409 C TYR A 31 7.073 -6.030 -3.059 1.00 0.13 C ATOM 410 O TYR A 31 6.822 -5.925 -4.262 1.00 0.18 O ATOM 411 CB TYR A 31 8.287 -4.144 -1.888 1.00 0.10 C ATOM 412 CG TYR A 31 8.949 -3.037 -2.694 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.356 -2.568 -3.853 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.150 -2.439 -2.279 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.924 -1.550 -4.583 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.719 -1.410 -3.009 1.00 0.09 C ATOM 417 CZ TYR A 31 10.103 -0.972 -4.158 1.00 0.11 C ATOM 418 OH TYR A 31 10.664 0.053 -4.880 1.00 0.13 O ATOM 0 H TYR A 31 9.077 -5.509 -4.467 1.00 0.13 H new ATOM 0 HA TYR A 31 8.695 -6.232 -1.694 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.230 -3.906 -1.773 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.722 -4.155 -0.889 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.430 -3.009 -4.191 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.636 -2.786 -1.379 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.448 -1.203 -5.488 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.641 -0.954 -2.679 1.00 0.09 H new ATOM 0 HH TYR A 31 11.611 -0.141 -5.041 1.00 0.13 H new ATOM 428 N LYS A 32 6.234 -6.567 -2.185 1.00 0.13 N ATOM 429 CA LYS A 32 4.971 -7.195 -2.574 1.00 0.14 C ATOM 430 C LYS A 32 3.790 -6.539 -1.869 1.00 0.14 C ATOM 431 O LYS A 32 3.637 -6.667 -0.653 1.00 0.13 O ATOM 432 CB LYS A 32 5.002 -8.682 -2.211 1.00 0.16 C ATOM 433 CG LYS A 32 5.799 -8.976 -0.963 1.00 0.17 C ATOM 434 CD LYS A 32 7.222 -9.399 -1.288 1.00 0.25 C ATOM 435 CE LYS A 32 7.270 -10.809 -1.844 1.00 0.40 C ATOM 436 NZ LYS A 32 8.666 -11.256 -2.092 1.00 1.26 N ATOM 0 H LYS A 32 6.407 -6.581 -1.180 1.00 0.13 H new ATOM 0 HA LYS A 32 4.850 -7.071 -3.650 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.981 -9.037 -2.073 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.425 -9.243 -3.044 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.819 -8.090 -0.328 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.306 -9.765 -0.395 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.652 -8.707 -2.012 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.834 -9.341 -0.388 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.788 -11.492 -1.145 1.00 0.40 H new ATOM 0 HE3 LYS A 32 6.703 -10.853 -2.774 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 8.710 -12.294 -2.056 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 8.974 -10.929 -3.030 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 9.293 -10.858 -1.364 1.00 1.26 H new ATOM 450 N LEU A 33 2.951 -5.850 -2.623 1.00 0.17 N ATOM 451 CA LEU A 33 1.783 -5.207 -2.046 1.00 0.17 C ATOM 452 C LEU A 33 0.519 -5.986 -2.387 1.00 0.19 C ATOM 453 O LEU A 33 0.246 -6.294 -3.548 1.00 0.27 O ATOM 454 CB LEU A 33 1.681 -3.745 -2.521 1.00 0.22 C ATOM 455 CG LEU A 33 0.512 -2.905 -1.959 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.791 -3.234 -2.663 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.352 -3.113 -0.457 1.00 0.49 C ATOM 0 H LEU A 33 3.055 -5.722 -3.630 1.00 0.17 H new ATOM 0 HA LEU A 33 1.890 -5.201 -0.961 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.613 -3.241 -2.267 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.605 -3.747 -3.608 1.00 0.22 H new ATOM 0 HG LEU A 33 0.754 -1.858 -2.143 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.594 -2.627 -2.245 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.693 -3.023 -3.728 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.024 -4.290 -2.523 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.478 -2.508 -0.092 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.151 -4.165 -0.255 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.269 -2.814 0.051 1.00 0.49 H new ATOM 469 N ALA A 34 -0.243 -6.300 -1.358 1.00 0.16 N ATOM 470 CA ALA A 34 -1.544 -6.928 -1.525 1.00 0.19 C ATOM 471 C ALA A 34 -2.626 -6.060 -0.888 1.00 0.18 C ATOM 472 O ALA A 34 -2.392 -5.426 0.139 1.00 0.25 O ATOM 473 CB ALA A 34 -1.541 -8.328 -0.926 1.00 0.25 C ATOM 0 H ALA A 34 0.018 -6.129 -0.387 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.760 -7.021 -2.589 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.522 -8.783 -1.060 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.788 -8.936 -1.426 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.311 -8.268 0.138 1.00 0.25 H new ATOM 479 N VAL A 35 -3.795 -6.010 -1.513 1.00 0.16 N ATOM 480 CA VAL A 35 -4.902 -5.200 -1.017 1.00 0.14 C ATOM 481 C VAL A 35 -6.122 -6.080 -0.769 1.00 0.16 C ATOM 482 O VAL A 35 -6.374 -7.039 -1.498 1.00 0.23 O ATOM 483 CB VAL A 35 -5.281 -4.068 -2.005 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.314 -3.132 -1.391 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.054 -3.283 -2.424 1.00 0.21 C ATOM 0 H VAL A 35 -4.003 -6.524 -2.369 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.575 -4.740 -0.085 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.716 -4.533 -2.890 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.563 -2.347 -2.105 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.214 -3.695 -1.143 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.906 -2.683 -0.485 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.346 -2.494 -3.117 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.588 -2.839 -1.544 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.344 -3.951 -2.912 1.00 0.21 H new ATOM 495 N ASP A 36 -6.860 -5.757 0.273 1.00 0.19 N ATOM 496 CA ASP A 36 -8.059 -6.489 0.631 1.00 0.24 C ATOM 497 C ASP A 36 -9.264 -5.567 0.571 1.00 0.25 C ATOM 498 O ASP A 36 -9.185 -4.407 0.972 1.00 0.31 O ATOM 499 CB ASP A 36 -7.917 -7.072 2.034 1.00 0.33 C ATOM 500 CG ASP A 36 -9.153 -7.830 2.478 1.00 1.05 C ATOM 501 OD1 ASP A 36 -10.071 -7.200 3.047 1.00 1.67 O ATOM 502 OD2 ASP A 36 -9.221 -9.057 2.258 1.00 1.52 O ATOM 0 H ASP A 36 -6.646 -4.979 0.897 1.00 0.19 H new ATOM 0 HA ASP A 36 -8.201 -7.306 -0.077 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -7.056 -7.740 2.060 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -7.716 -6.266 2.740 1.00 0.33 H new ATOM 507 N LYS A 37 -10.368 -6.074 0.060 1.00 0.28 N ATOM 508 CA LYS A 37 -11.568 -5.289 -0.076 1.00 0.33 C ATOM 509 C LYS A 37 -12.787 -6.093 0.369 1.00 0.46 C ATOM 510 O LYS A 37 -12.887 -7.290 0.094 1.00 0.63 O ATOM 511 CB LYS A 37 -11.683 -4.836 -1.522 1.00 0.42 C ATOM 512 CG LYS A 37 -13.099 -4.716 -2.015 1.00 0.95 C ATOM 513 CD LYS A 37 -13.132 -4.298 -3.473 1.00 0.77 C ATOM 514 CE LYS A 37 -14.555 -4.082 -3.958 1.00 1.13 C ATOM 515 NZ LYS A 37 -14.606 -3.719 -5.398 1.00 1.34 N ATOM 0 H LYS A 37 -10.454 -7.036 -0.269 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.521 -4.410 0.567 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -11.189 -3.871 -1.630 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -11.147 -5.541 -2.157 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.612 -5.670 -1.895 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.638 -3.986 -1.411 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -12.559 -3.380 -3.602 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.651 -5.063 -4.083 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -15.136 -4.990 -3.793 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -15.022 -3.293 -3.369 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -15.596 -3.581 -5.686 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -14.074 -2.839 -5.553 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -14.184 -4.483 -5.964 1.00 1.34 H new ATOM 622 N ILE A 46 -6.858 -8.451 -3.842 1.00 0.38 N ATOM 623 CA ILE A 46 -5.912 -7.952 -4.825 1.00 0.33 C ATOM 624 C ILE A 46 -4.495 -8.238 -4.339 1.00 0.30 C ATOM 625 O ILE A 46 -4.193 -8.028 -3.168 1.00 0.34 O ATOM 626 CB ILE A 46 -6.071 -6.439 -5.063 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.479 -6.113 -5.555 1.00 0.44 C ATOM 628 CG2 ILE A 46 -5.041 -5.951 -6.063 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.470 -5.827 -4.447 1.00 0.40 C ATOM 0 HA ILE A 46 -6.108 -8.459 -5.770 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.911 -5.926 -4.115 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.430 -5.248 -6.216 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.847 -6.949 -6.150 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -5.166 -4.880 -6.221 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -4.040 -6.147 -5.679 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -5.176 -6.475 -7.009 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.445 -5.605 -4.880 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.551 -6.699 -3.798 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -8.128 -4.971 -3.865 1.00 0.40 H new ATOM 641 N LYS A 47 -3.634 -8.744 -5.203 1.00 0.31 N ATOM 642 CA LYS A 47 -2.269 -9.035 -4.800 1.00 0.38 C ATOM 643 C LYS A 47 -1.298 -8.814 -5.949 1.00 0.41 C ATOM 644 O LYS A 47 -1.480 -9.352 -7.039 1.00 0.51 O ATOM 645 CB LYS A 47 -2.178 -10.460 -4.263 1.00 0.51 C ATOM 646 CG LYS A 47 -0.839 -10.821 -3.636 1.00 0.91 C ATOM 647 CD LYS A 47 0.160 -11.306 -4.671 1.00 1.56 C ATOM 648 CE LYS A 47 1.512 -11.582 -4.046 1.00 2.17 C ATOM 649 NZ LYS A 47 2.461 -12.167 -5.027 1.00 2.74 N ATOM 0 H LYS A 47 -3.851 -8.960 -6.176 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.987 -8.347 -4.003 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.962 -10.604 -3.520 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -2.381 -11.154 -5.078 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -0.433 -9.950 -3.120 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -0.988 -11.596 -2.884 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -0.216 -12.213 -5.145 1.00 1.56 H new ATOM 0 HD3 LYS A 47 0.266 -10.557 -5.456 1.00 1.56 H new ATOM 0 HE2 LYS A 47 1.925 -10.655 -3.648 1.00 2.17 H new ATOM 0 HE3 LYS A 47 1.392 -12.264 -3.205 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 3.375 -12.342 -4.563 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 2.078 -13.064 -5.388 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 2.595 -11.505 -5.818 1.00 2.74 H new ATOM 663 N GLN A 48 -0.275 -8.011 -5.698 1.00 0.40 N ATOM 664 CA GLN A 48 0.779 -7.774 -6.671 1.00 0.47 C ATOM 665 C GLN A 48 2.134 -8.001 -6.015 1.00 0.50 C ATOM 666 O GLN A 48 2.224 -8.125 -4.792 1.00 0.78 O ATOM 667 CB GLN A 48 0.699 -6.348 -7.222 1.00 0.52 C ATOM 668 CG GLN A 48 -0.661 -5.987 -7.797 1.00 0.55 C ATOM 669 CD GLN A 48 -0.688 -4.610 -8.436 1.00 0.82 C ATOM 670 OE1 GLN A 48 0.158 -3.710 -7.957 1.00 1.63 O flip ATOM 671 NE2 GLN A 48 -1.461 -4.361 -9.362 1.00 1.37 N flip ATOM 0 H GLN A 48 -0.153 -7.508 -4.819 1.00 0.40 H new ATOM 0 HA GLN A 48 0.652 -8.469 -7.501 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.944 -5.646 -6.425 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.455 -6.225 -7.998 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.945 -6.732 -8.540 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.407 -6.028 -7.004 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -2.098 -5.082 -9.703 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -1.465 -3.434 -9.788 1.00 1.37 H new ATOM 680 N ALA A 49 3.180 -8.068 -6.825 1.00 0.32 N ATOM 681 CA ALA A 49 4.534 -8.239 -6.321 1.00 0.31 C ATOM 682 C ALA A 49 5.546 -7.989 -7.425 1.00 0.31 C ATOM 683 O ALA A 49 5.275 -8.257 -8.598 1.00 0.39 O ATOM 684 CB ALA A 49 4.723 -9.631 -5.742 1.00 0.33 C ATOM 0 H ALA A 49 3.116 -8.006 -7.841 1.00 0.32 H new ATOM 0 HA ALA A 49 4.695 -7.511 -5.526 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.743 -9.736 -5.371 1.00 0.33 H new ATOM 0 HB2 ALA A 49 4.021 -9.782 -4.922 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.541 -10.375 -6.517 1.00 0.33 H new ATOM 690 N GLY A 50 6.704 -7.473 -7.052 1.00 0.25 N ATOM 691 CA GLY A 50 7.745 -7.216 -8.021 1.00 0.26 C ATOM 692 C GLY A 50 8.833 -6.333 -7.467 1.00 0.23 C ATOM 693 O GLY A 50 9.134 -6.382 -6.271 1.00 0.25 O ATOM 0 H GLY A 50 6.943 -7.227 -6.091 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.178 -8.162 -8.346 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.310 -6.744 -8.902 1.00 0.26 H new ATOM 697 N ALA A 51 9.417 -5.522 -8.329 1.00 0.23 N ATOM 698 CA ALA A 51 10.494 -4.639 -7.936 1.00 0.21 C ATOM 699 C ALA A 51 10.344 -3.290 -8.616 1.00 0.23 C ATOM 700 O ALA A 51 10.003 -3.215 -9.797 1.00 0.38 O ATOM 701 CB ALA A 51 11.838 -5.249 -8.279 1.00 0.23 C ATOM 0 H ALA A 51 9.159 -5.458 -9.314 1.00 0.23 H new ATOM 0 HA ALA A 51 10.444 -4.497 -6.856 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.634 -4.569 -7.975 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.951 -6.198 -7.755 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.897 -5.419 -9.354 1.00 0.23 H new ATOM 707 N PHE A 52 10.615 -2.236 -7.876 1.00 0.15 N ATOM 708 CA PHE A 52 10.461 -0.886 -8.377 1.00 0.16 C ATOM 709 C PHE A 52 11.625 -0.033 -7.870 1.00 0.14 C ATOM 710 O PHE A 52 12.468 -0.521 -7.114 1.00 0.16 O ATOM 711 CB PHE A 52 9.098 -0.339 -7.930 1.00 0.17 C ATOM 712 CG PHE A 52 8.751 1.039 -8.421 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.599 1.301 -9.773 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.578 2.075 -7.519 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.278 2.571 -10.213 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.258 3.347 -7.951 1.00 0.18 C ATOM 717 CZ PHE A 52 8.108 3.596 -9.300 1.00 0.23 C ATOM 0 H PHE A 52 10.947 -2.290 -6.913 1.00 0.15 H new ATOM 0 HA PHE A 52 10.484 -0.866 -9.467 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.324 -1.029 -8.265 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.070 -0.333 -6.840 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.733 0.505 -10.490 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.695 1.886 -6.462 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.160 2.763 -11.269 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.126 4.145 -7.235 1.00 0.18 H new ATOM 0 HZ PHE A 52 7.858 4.589 -9.642 1.00 0.23 H new ATOM 727 N THR A 53 11.688 1.216 -8.292 1.00 0.15 N ATOM 728 CA THR A 53 12.769 2.096 -7.895 1.00 0.16 C ATOM 729 C THR A 53 12.447 2.807 -6.593 1.00 0.16 C ATOM 730 O THR A 53 11.312 3.232 -6.369 1.00 0.27 O ATOM 731 CB THR A 53 13.073 3.134 -8.977 1.00 0.21 C ATOM 732 OG1 THR A 53 12.059 3.094 -9.995 1.00 0.43 O ATOM 733 CG2 THR A 53 14.442 2.882 -9.581 1.00 0.40 C ATOM 0 H THR A 53 11.000 1.644 -8.912 1.00 0.15 H new ATOM 0 HA THR A 53 13.650 1.470 -7.752 1.00 0.16 H new ATOM 0 HB THR A 53 13.075 4.125 -8.524 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.260 3.762 -10.683 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.644 3.629 -10.349 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.201 2.949 -8.802 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.466 1.887 -10.027 1.00 0.40 H new ATOM 741 N ALA A 54 13.448 2.944 -5.742 1.00 0.13 N ATOM 742 CA ALA A 54 13.259 3.558 -4.447 1.00 0.13 C ATOM 743 C ALA A 54 14.398 4.519 -4.131 1.00 0.14 C ATOM 744 O ALA A 54 15.567 4.182 -4.290 1.00 0.23 O ATOM 745 CB ALA A 54 13.127 2.484 -3.375 1.00 0.15 C ATOM 0 H ALA A 54 14.402 2.636 -5.929 1.00 0.13 H new ATOM 0 HA ALA A 54 12.337 4.139 -4.465 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.985 2.956 -2.403 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.269 1.850 -3.599 1.00 0.15 H new ATOM 0 HB3 ALA A 54 14.032 1.877 -3.355 1.00 0.15 H new ATOM 751 N ILE A 55 14.042 5.723 -3.710 1.00 0.17 N ATOM 752 CA ILE A 55 15.016 6.747 -3.362 1.00 0.18 C ATOM 753 C ILE A 55 15.207 6.800 -1.864 1.00 0.16 C ATOM 754 O ILE A 55 14.263 6.581 -1.109 1.00 0.14 O ATOM 755 CB ILE A 55 14.578 8.119 -3.893 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.591 8.072 -5.412 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.463 9.234 -3.368 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.673 8.906 -6.055 1.00 0.33 C ATOM 0 H ILE A 55 13.072 6.018 -3.600 1.00 0.17 H new ATOM 0 HA ILE A 55 15.967 6.488 -3.828 1.00 0.18 H new ATOM 0 HB ILE A 55 13.570 8.337 -3.540 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.711 7.036 -5.730 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.622 8.409 -5.782 1.00 0.26 H new ATOM 0 HG21 ILE A 55 15.120 10.189 -3.767 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.413 9.256 -2.279 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.493 9.059 -3.680 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.608 8.813 -7.139 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.544 9.951 -5.772 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.649 8.557 -5.719 1.00 0.33 H new ATOM 770 N ALA A 56 16.430 7.082 -1.449 1.00 0.17 N ATOM 771 CA ALA A 56 16.772 7.101 -0.032 1.00 0.18 C ATOM 772 C ALA A 56 16.018 8.193 0.704 1.00 0.17 C ATOM 773 O ALA A 56 16.042 9.358 0.300 1.00 0.20 O ATOM 774 CB ALA A 56 18.261 7.268 0.180 1.00 0.22 C ATOM 0 H ALA A 56 17.206 7.302 -2.073 1.00 0.17 H new ATOM 0 HA ALA A 56 16.474 6.136 0.378 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.478 7.278 1.248 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.791 6.439 -0.290 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.589 8.207 -0.265 1.00 0.22 H new ATOM 780 N GLU A 57 15.341 7.793 1.778 1.00 0.16 N ATOM 781 CA GLU A 57 14.542 8.695 2.590 1.00 0.18 C ATOM 782 C GLU A 57 13.419 9.283 1.744 1.00 0.19 C ATOM 783 O GLU A 57 12.927 10.384 1.991 1.00 0.28 O ATOM 784 CB GLU A 57 15.433 9.774 3.194 1.00 0.23 C ATOM 785 CG GLU A 57 16.577 9.193 4.014 1.00 0.27 C ATOM 786 CD GLU A 57 17.631 10.225 4.346 1.00 0.74 C ATOM 787 OE1 GLU A 57 18.549 10.432 3.527 1.00 1.33 O ATOM 788 OE2 GLU A 57 17.547 10.837 5.431 1.00 0.75 O ATOM 0 H GLU A 57 15.334 6.828 2.108 1.00 0.16 H new ATOM 0 HA GLU A 57 14.084 8.151 3.416 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.841 10.393 2.395 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.831 10.426 3.827 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.181 8.772 4.938 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.036 8.373 3.462 1.00 0.27 H new ATOM 795 N GLN A 58 13.023 8.510 0.745 1.00 0.16 N ATOM 796 CA GLN A 58 11.966 8.870 -0.160 1.00 0.18 C ATOM 797 C GLN A 58 10.855 7.862 -0.066 1.00 0.17 C ATOM 798 O GLN A 58 11.092 6.659 0.031 1.00 0.19 O ATOM 799 CB GLN A 58 12.473 8.939 -1.570 1.00 0.20 C ATOM 800 CG GLN A 58 12.443 10.330 -2.126 1.00 0.28 C ATOM 801 CD GLN A 58 11.043 10.840 -2.413 1.00 0.70 C ATOM 802 OE1 GLN A 58 10.157 9.948 -2.828 1.00 1.38 O flip ATOM 803 NE2 GLN A 58 10.772 12.035 -2.296 1.00 1.48 N flip ATOM 0 H GLN A 58 13.440 7.601 0.545 1.00 0.16 H new ATOM 0 HA GLN A 58 11.590 9.854 0.119 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.495 8.560 -1.604 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.870 8.286 -2.201 1.00 0.20 H new ATOM 0 HG2 GLN A 58 12.929 11.005 -1.421 1.00 0.28 H new ATOM 0 HG3 GLN A 58 13.026 10.357 -3.046 1.00 0.28 H new ATOM 0 HE21 GLN A 58 11.484 12.690 -1.973 1.00 1.48 H new ATOM 0 HE22 GLN A 58 9.836 12.370 -2.522 1.00 1.48 H new ATOM 812 N ARG A 59 9.653 8.363 -0.059 1.00 0.16 N ATOM 813 CA ARG A 59 8.482 7.516 -0.037 1.00 0.17 C ATOM 814 C ARG A 59 8.150 7.013 -1.429 1.00 0.17 C ATOM 815 O ARG A 59 8.026 7.789 -2.377 1.00 0.22 O ATOM 816 CB ARG A 59 7.289 8.248 0.548 1.00 0.24 C ATOM 817 CG ARG A 59 7.212 8.169 2.060 1.00 0.30 C ATOM 818 CD ARG A 59 8.288 8.989 2.731 1.00 0.44 C ATOM 819 NE ARG A 59 8.080 10.422 2.539 1.00 1.37 N ATOM 820 CZ ARG A 59 9.003 11.355 2.763 1.00 1.72 C ATOM 821 NH1 ARG A 59 10.213 11.017 3.199 1.00 1.51 N ATOM 822 NH2 ARG A 59 8.710 12.632 2.559 1.00 2.72 N ATOM 0 H ARG A 59 9.451 9.363 -0.068 1.00 0.16 H new ATOM 0 HA ARG A 59 8.709 6.660 0.599 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.333 9.295 0.249 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.375 7.833 0.124 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.233 8.517 2.391 1.00 0.30 H new ATOM 0 HG3 ARG A 59 7.303 7.129 2.373 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.304 8.764 3.797 1.00 0.44 H new ATOM 0 HD3 ARG A 59 9.262 8.707 2.331 1.00 0.44 H new ATOM 0 HE ARG A 59 7.164 10.729 2.211 1.00 1.37 H new ATOM 0 HH11 ARG A 59 10.440 10.036 3.364 1.00 1.51 H new ATOM 0 HH12 ARG A 59 10.914 11.738 3.368 1.00 1.51 H new ATOM 0 HH21 ARG A 59 7.781 12.896 2.232 1.00 2.72 H new ATOM 0 HH22 ARG A 59 9.414 13.350 2.729 1.00 2.72 H new ATOM 836 N VAL A 60 8.017 5.710 -1.532 1.00 0.13 N ATOM 837 CA VAL A 60 7.696 5.050 -2.771 1.00 0.14 C ATOM 838 C VAL A 60 6.398 4.294 -2.608 1.00 0.13 C ATOM 839 O VAL A 60 6.348 3.287 -1.915 1.00 0.12 O ATOM 840 CB VAL A 60 8.828 4.073 -3.154 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.420 3.162 -4.298 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.069 4.854 -3.521 1.00 0.15 C ATOM 0 H VAL A 60 8.131 5.072 -0.744 1.00 0.13 H new ATOM 0 HA VAL A 60 7.589 5.792 -3.562 1.00 0.14 H new ATOM 0 HB VAL A 60 9.037 3.440 -2.292 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.243 2.489 -4.539 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.548 2.578 -4.005 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.176 3.764 -5.173 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.867 4.163 -3.791 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.852 5.506 -4.367 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.384 5.457 -2.670 1.00 0.15 H new ATOM 852 N THR A 61 5.349 4.755 -3.246 1.00 0.15 N ATOM 853 CA THR A 61 4.068 4.132 -3.043 1.00 0.15 C ATOM 854 C THR A 61 3.864 3.002 -4.024 1.00 0.16 C ATOM 855 O THR A 61 4.001 3.166 -5.238 1.00 0.19 O ATOM 856 CB THR A 61 2.910 5.128 -3.112 1.00 0.17 C ATOM 857 OG1 THR A 61 3.323 6.404 -2.598 1.00 0.19 O ATOM 858 CG2 THR A 61 1.745 4.597 -2.299 1.00 0.19 C ATOM 0 H THR A 61 5.356 5.541 -3.895 1.00 0.15 H new ATOM 0 HA THR A 61 4.071 3.725 -2.032 1.00 0.15 H new ATOM 0 HB THR A 61 2.604 5.253 -4.151 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.575 7.035 -2.648 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.917 5.304 -2.345 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.426 3.637 -2.705 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.054 4.468 -1.262 1.00 0.19 H new ATOM 866 N VAL A 62 3.546 1.852 -3.474 1.00 0.15 N ATOM 867 CA VAL A 62 3.570 0.622 -4.212 1.00 0.15 C ATOM 868 C VAL A 62 2.234 -0.109 -4.150 1.00 0.15 C ATOM 869 O VAL A 62 1.569 -0.132 -3.113 1.00 0.16 O ATOM 870 CB VAL A 62 4.722 -0.269 -3.682 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.489 -1.754 -3.937 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.041 0.187 -4.292 1.00 0.16 C ATOM 0 H VAL A 62 3.263 1.749 -2.499 1.00 0.15 H new ATOM 0 HA VAL A 62 3.746 0.853 -5.263 1.00 0.15 H new ATOM 0 HB VAL A 62 4.758 -0.150 -2.599 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.329 -2.327 -3.544 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.571 -2.069 -3.441 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.400 -1.930 -5.009 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.851 -0.440 -3.919 1.00 0.16 H new ATOM 0 HG22 VAL A 62 5.988 0.103 -5.377 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.230 1.225 -4.017 1.00 0.16 H new ATOM 882 N GLY A 63 1.844 -0.687 -5.281 1.00 0.18 N ATOM 883 CA GLY A 63 0.610 -1.432 -5.354 1.00 0.21 C ATOM 884 C GLY A 63 -0.561 -0.555 -5.713 1.00 0.20 C ATOM 885 O GLY A 63 -1.514 -0.448 -4.951 1.00 0.28 O ATOM 0 H GLY A 63 2.370 -0.649 -6.154 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.709 -2.225 -6.095 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.421 -1.914 -4.395 1.00 0.21 H new ATOM 889 N ASN A 64 -0.486 0.072 -6.876 1.00 0.33 N ATOM 890 CA ASN A 64 -1.521 0.990 -7.315 1.00 0.40 C ATOM 891 C ASN A 64 -2.746 0.207 -7.761 1.00 0.37 C ATOM 892 O ASN A 64 -2.747 -0.428 -8.816 1.00 0.52 O ATOM 893 CB ASN A 64 -0.989 1.848 -8.470 1.00 0.67 C ATOM 894 CG ASN A 64 -1.894 3.012 -8.834 1.00 1.31 C ATOM 895 OD1 ASN A 64 -3.111 2.960 -8.663 1.00 2.17 O ATOM 896 ND2 ASN A 64 -1.300 4.076 -9.348 1.00 1.98 N ATOM 0 H ASN A 64 0.285 -0.040 -7.534 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.803 1.643 -6.489 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -0.006 2.234 -8.201 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.854 1.216 -9.348 1.00 0.67 H new ATOM 0 HD21 ASN A 64 -1.854 4.889 -9.617 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -0.288 4.083 -9.475 1.00 1.98 H new ATOM 903 N VAL A 65 -3.780 0.251 -6.942 1.00 0.25 N ATOM 904 CA VAL A 65 -5.049 -0.377 -7.267 1.00 0.33 C ATOM 905 C VAL A 65 -6.175 0.630 -7.057 1.00 0.27 C ATOM 906 O VAL A 65 -6.129 1.432 -6.126 1.00 0.35 O ATOM 907 CB VAL A 65 -5.303 -1.649 -6.416 1.00 0.43 C ATOM 908 CG1 VAL A 65 -4.082 -2.556 -6.429 1.00 1.29 C ATOM 909 CG2 VAL A 65 -5.691 -1.305 -4.985 1.00 1.10 C ATOM 0 H VAL A 65 -3.766 0.720 -6.037 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.016 -0.690 -8.311 1.00 0.33 H new ATOM 0 HB VAL A 65 -6.142 -2.179 -6.868 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -4.281 -3.442 -5.826 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -3.862 -2.856 -7.454 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -3.227 -2.021 -6.016 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -5.860 -2.224 -4.423 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -4.888 -0.736 -4.517 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -6.604 -0.709 -4.989 1.00 1.10 H new ATOM 919 N VAL A 66 -7.165 0.632 -7.930 1.00 0.25 N ATOM 920 CA VAL A 66 -8.237 1.604 -7.820 1.00 0.23 C ATOM 921 C VAL A 66 -9.577 0.930 -7.569 1.00 0.24 C ATOM 922 O VAL A 66 -10.049 0.122 -8.367 1.00 0.27 O ATOM 923 CB VAL A 66 -8.327 2.510 -9.063 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.433 3.543 -8.899 1.00 0.30 C ATOM 925 CG2 VAL A 66 -6.993 3.197 -9.310 1.00 0.29 C ATOM 0 H VAL A 66 -7.250 -0.018 -8.712 1.00 0.25 H new ATOM 0 HA VAL A 66 -7.997 2.232 -6.962 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.567 1.888 -9.925 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.478 4.172 -9.788 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.388 3.035 -8.764 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.226 4.163 -8.027 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.070 3.834 -10.191 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.731 3.805 -8.444 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.221 2.445 -9.472 1.00 0.29 H new ATOM 935 N LEU A 67 -10.167 1.271 -6.437 1.00 0.22 N ATOM 936 CA LEU A 67 -11.461 0.753 -6.035 1.00 0.23 C ATOM 937 C LEU A 67 -12.503 1.848 -6.205 1.00 0.24 C ATOM 938 O LEU A 67 -12.155 3.018 -6.385 1.00 0.26 O ATOM 939 CB LEU A 67 -11.460 0.334 -4.558 1.00 0.21 C ATOM 940 CG LEU A 67 -10.312 -0.552 -4.050 1.00 0.19 C ATOM 941 CD1 LEU A 67 -10.131 -1.779 -4.930 1.00 0.25 C ATOM 942 CD2 LEU A 67 -9.005 0.229 -3.919 1.00 0.18 C ATOM 0 H LEU A 67 -9.757 1.921 -5.766 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.685 -0.116 -6.654 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.470 1.242 -3.955 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.395 -0.190 -4.361 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.587 -0.892 -3.052 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.311 -2.386 -4.545 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -11.049 -2.366 -4.929 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.902 -1.466 -5.949 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.219 -0.434 -3.557 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.722 0.630 -4.892 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.140 1.049 -3.214 1.00 0.18 H new ATOM 954 N ASP A 68 -13.772 1.483 -6.156 1.00 0.26 N ATOM 955 CA ASP A 68 -14.828 2.477 -6.026 1.00 0.28 C ATOM 956 C ASP A 68 -14.834 2.975 -4.586 1.00 0.28 C ATOM 957 O ASP A 68 -14.614 2.197 -3.659 1.00 0.30 O ATOM 958 CB ASP A 68 -16.198 1.899 -6.410 1.00 0.32 C ATOM 959 CG ASP A 68 -16.747 0.920 -5.389 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.441 -0.287 -5.496 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.475 1.356 -4.472 1.00 1.25 O ATOM 0 H ASP A 68 -14.096 0.517 -6.203 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.635 3.304 -6.710 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.907 2.717 -6.535 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.115 1.398 -7.375 1.00 0.32 H new ATOM 966 N TYR A 69 -15.054 4.262 -4.388 1.00 0.28 N ATOM 967 CA TYR A 69 -14.933 4.838 -3.057 1.00 0.27 C ATOM 968 C TYR A 69 -16.172 4.591 -2.215 1.00 0.27 C ATOM 969 O TYR A 69 -17.284 4.963 -2.592 1.00 0.30 O ATOM 970 CB TYR A 69 -14.655 6.337 -3.131 1.00 0.29 C ATOM 971 CG TYR A 69 -14.879 7.058 -1.822 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.188 6.686 -0.677 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.776 8.114 -1.738 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.392 7.348 0.525 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.985 8.778 -0.546 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.294 8.389 0.581 1.00 0.30 C ATOM 977 OH TYR A 69 -15.510 9.040 1.768 1.00 0.33 O ATOM 0 H TYR A 69 -15.314 4.923 -5.120 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.090 4.340 -2.577 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.624 6.492 -3.450 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.295 6.780 -3.894 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.482 5.870 -0.723 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.319 8.421 -2.620 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.849 7.050 1.410 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.686 9.598 -0.497 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.174 9.749 1.636 1.00 0.33 H new ATOM 987 N SER A 70 -15.971 3.950 -1.078 1.00 0.25 N ATOM 988 CA SER A 70 -17.014 3.819 -0.089 1.00 0.27 C ATOM 989 C SER A 70 -16.408 3.937 1.306 1.00 0.29 C ATOM 990 O SER A 70 -15.556 3.140 1.694 1.00 0.28 O ATOM 991 CB SER A 70 -17.761 2.497 -0.277 1.00 0.30 C ATOM 992 OG SER A 70 -17.000 1.588 -1.056 1.00 0.99 O ATOM 0 H SER A 70 -15.087 3.511 -0.820 1.00 0.25 H new ATOM 0 HA SER A 70 -17.742 4.621 -0.212 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.976 2.056 0.696 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.719 2.683 -0.762 1.00 0.30 H new ATOM 0 HG SER A 70 -17.604 0.999 -1.555 1.00 0.99 H new ATOM 998 N SER A 71 -16.826 4.958 2.041 1.00 0.36 N ATOM 999 CA SER A 71 -16.301 5.214 3.374 1.00 0.42 C ATOM 1000 C SER A 71 -16.675 4.092 4.337 1.00 0.43 C ATOM 1001 O SER A 71 -16.003 3.870 5.344 1.00 0.50 O ATOM 1002 CB SER A 71 -16.814 6.552 3.884 1.00 0.50 C ATOM 1003 OG SER A 71 -18.223 6.652 3.741 1.00 0.54 O ATOM 0 H SER A 71 -17.532 5.627 1.733 1.00 0.36 H new ATOM 0 HA SER A 71 -15.213 5.251 3.315 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.543 6.672 4.933 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.332 7.362 3.336 1.00 0.50 H new ATOM 0 HG SER A 71 -18.525 7.521 4.078 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.743 3.383 4.005 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.211 2.273 4.815 1.00 0.43 C ATOM 1011 C ALA A 72 -17.653 0.947 4.311 1.00 0.40 C ATOM 1012 O ALA A 72 -18.001 -0.120 4.825 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.725 2.238 4.817 1.00 0.47 C ATOM 0 H ALA A 72 -18.305 3.560 3.172 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.853 2.420 5.834 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -20.069 1.403 5.427 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.110 3.171 5.229 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.087 2.116 3.796 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.788 1.013 3.306 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.194 -0.190 2.734 1.00 0.30 C ATOM 1021 C ASN A 73 -14.969 -0.594 3.533 1.00 0.33 C ATOM 1022 O ASN A 73 -14.294 0.258 4.116 1.00 0.47 O ATOM 1023 CB ASN A 73 -15.766 0.036 1.288 1.00 0.32 C ATOM 1024 CG ASN A 73 -15.969 -1.201 0.433 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -15.116 -2.087 0.384 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -17.093 -1.262 -0.261 1.00 0.95 N ATOM 0 H ASN A 73 -16.483 1.884 2.871 1.00 0.32 H new ATOM 0 HA ASN A 73 -16.950 -0.975 2.767 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.335 0.865 0.867 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -14.715 0.326 1.262 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -17.277 -2.064 -0.864 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -17.776 -0.507 -0.193 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.672 -1.881 3.569 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.443 -2.328 4.185 1.00 0.35 C ATOM 1035 C ARG A 74 -12.394 -2.475 3.098 1.00 0.27 C ATOM 1036 O ARG A 74 -12.423 -3.416 2.314 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.674 -3.653 4.913 1.00 0.48 C ATOM 1038 CG ARG A 74 -12.681 -3.986 6.012 1.00 0.73 C ATOM 1039 CD ARG A 74 -11.365 -4.535 5.491 1.00 1.02 C ATOM 1040 NE ARG A 74 -10.484 -4.892 6.607 1.00 1.49 N ATOM 1041 CZ ARG A 74 -9.495 -5.783 6.549 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -9.245 -6.456 5.436 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -8.761 -6.016 7.630 1.00 2.50 N ATOM 0 H ARG A 74 -15.257 -2.622 3.184 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.099 -1.603 4.923 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.674 -3.638 5.346 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -13.656 -4.457 4.178 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -12.485 -3.088 6.598 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -13.129 -4.716 6.687 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -11.549 -5.412 4.870 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -10.879 -3.793 4.858 1.00 1.02 H new ATOM 0 HE ARG A 74 -10.640 -4.421 7.498 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -9.814 -6.296 4.605 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -8.484 -7.134 5.410 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -8.956 -5.515 8.497 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -8.002 -6.696 7.594 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.473 -1.537 3.064 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.340 -1.612 2.171 1.00 0.14 C ATOM 1059 C TYR A 75 -9.085 -1.636 2.999 1.00 0.13 C ATOM 1060 O TYR A 75 -8.820 -0.714 3.763 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.286 -0.430 1.208 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.411 -0.378 0.208 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.677 -1.458 -0.613 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.194 0.760 0.076 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.694 -1.409 -1.540 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.217 0.817 -0.850 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.462 -0.271 -1.657 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.479 -0.225 -2.584 1.00 0.35 O ATOM 0 H TYR A 75 -11.489 -0.704 3.653 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.436 -2.517 1.571 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.291 0.493 1.788 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.340 -0.462 0.668 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.079 -2.353 -0.526 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -12.000 1.615 0.707 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -12.889 -2.261 -2.174 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.820 1.708 -0.940 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.524 0.672 -2.976 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.337 -2.694 2.866 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.120 -2.855 3.624 1.00 0.13 C ATOM 1080 C ALA A 76 -5.998 -3.243 2.710 1.00 0.12 C ATOM 1081 O ALA A 76 -6.216 -3.564 1.552 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.277 -3.879 4.721 1.00 0.16 C ATOM 0 H ALA A 76 -8.548 -3.467 2.235 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.890 -1.900 4.096 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.339 -3.972 5.269 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.066 -3.563 5.403 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.539 -4.843 4.284 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.803 -3.200 3.225 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.639 -3.462 2.431 1.00 0.13 C ATOM 1090 C ALA A 77 -2.591 -4.136 3.273 1.00 0.14 C ATOM 1091 O ALA A 77 -2.680 -4.132 4.492 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.113 -2.171 1.839 1.00 0.12 C ATOM 0 H ALA A 77 -4.609 -2.983 4.203 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.902 -4.129 1.610 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.229 -2.380 1.237 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.881 -1.720 1.211 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.851 -1.483 2.642 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.628 -4.733 2.621 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.520 -5.357 3.299 1.00 0.16 C ATOM 1100 C ARG A 78 0.667 -5.412 2.358 1.00 0.14 C ATOM 1101 O ARG A 78 0.587 -5.969 1.264 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.909 -6.749 3.802 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.222 -7.720 2.715 1.00 0.56 C ATOM 1104 CD ARG A 78 -0.091 -8.705 2.619 1.00 1.56 C ATOM 1105 NE ARG A 78 0.095 -9.444 3.868 1.00 2.06 N ATOM 1106 CZ ARG A 78 0.087 -10.772 3.963 1.00 2.77 C ATOM 1107 NH1 ARG A 78 -0.053 -11.523 2.878 1.00 3.25 N ATOM 1108 NH2 ARG A 78 0.237 -11.348 5.149 1.00 3.35 N ATOM 0 H ARG A 78 -1.589 -4.801 1.604 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.245 -4.768 4.174 1.00 0.16 H new ATOM 0 HB2 ARG A 78 -0.094 -7.147 4.407 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.777 -6.659 4.456 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -2.158 -8.237 2.926 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.352 -7.199 1.767 1.00 0.56 H new ATOM 0 HD2 ARG A 78 -0.288 -9.406 1.808 1.00 1.56 H new ATOM 0 HD3 ARG A 78 0.830 -8.178 2.368 1.00 1.56 H new ATOM 0 HE ARG A 78 0.240 -8.906 4.722 1.00 2.06 H new ATOM 0 HH11 ARG A 78 -0.155 -11.083 1.963 1.00 3.25 H new ATOM 0 HH12 ARG A 78 -0.058 -12.540 2.959 1.00 3.25 H new ATOM 0 HH21 ARG A 78 0.358 -10.774 5.983 1.00 3.35 H new ATOM 0 HH22 ARG A 78 0.231 -12.365 5.226 1.00 3.35 H new ATOM 1122 N LEU A 79 1.756 -4.797 2.758 1.00 0.17 N ATOM 1123 CA LEU A 79 2.922 -4.760 1.911 1.00 0.15 C ATOM 1124 C LEU A 79 4.091 -5.425 2.596 1.00 0.15 C ATOM 1125 O LEU A 79 4.488 -5.034 3.690 1.00 0.22 O ATOM 1126 CB LEU A 79 3.285 -3.326 1.530 1.00 0.16 C ATOM 1127 CG LEU A 79 3.856 -3.162 0.116 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.108 -1.698 -0.192 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.128 -3.991 -0.069 1.00 0.16 C ATOM 0 H LEU A 79 1.858 -4.321 3.654 1.00 0.17 H new ATOM 0 HA LEU A 79 2.687 -5.305 0.997 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.395 -2.704 1.622 1.00 0.16 H new ATOM 0 HB3 LEU A 79 4.013 -2.948 2.247 1.00 0.16 H new ATOM 0 HG LEU A 79 3.116 -3.536 -0.592 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.513 -1.603 -1.199 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.171 -1.145 -0.124 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.821 -1.293 0.526 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.508 -3.853 -1.081 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.881 -3.666 0.649 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.902 -5.045 0.093 1.00 0.16 H new ATOM 1141 N ASP A 80 4.618 -6.438 1.947 1.00 0.12 N ATOM 1142 CA ASP A 80 5.818 -7.099 2.403 1.00 0.12 C ATOM 1143 C ASP A 80 6.999 -6.609 1.586 1.00 0.11 C ATOM 1144 O ASP A 80 7.011 -6.730 0.368 1.00 0.15 O ATOM 1145 CB ASP A 80 5.671 -8.614 2.282 1.00 0.15 C ATOM 1146 CG ASP A 80 6.945 -9.363 2.636 1.00 1.16 C ATOM 1147 OD1 ASP A 80 7.830 -9.478 1.764 1.00 2.22 O ATOM 1148 OD2 ASP A 80 7.081 -9.820 3.794 1.00 1.06 O ATOM 0 H ASP A 80 4.227 -6.826 1.089 1.00 0.12 H new ATOM 0 HA ASP A 80 5.986 -6.861 3.453 1.00 0.12 H new ATOM 0 HB2 ASP A 80 4.865 -8.949 2.935 1.00 0.15 H new ATOM 0 HB3 ASP A 80 5.380 -8.865 1.262 1.00 0.15 H new ATOM 1153 N VAL A 81 7.972 -6.012 2.230 1.00 0.09 N ATOM 1154 CA VAL A 81 9.151 -5.594 1.513 1.00 0.10 C ATOM 1155 C VAL A 81 10.287 -6.546 1.820 1.00 0.12 C ATOM 1156 O VAL A 81 10.860 -6.511 2.903 1.00 0.13 O ATOM 1157 CB VAL A 81 9.581 -4.157 1.864 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.619 -3.672 0.875 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.385 -3.214 1.904 1.00 0.09 C ATOM 0 H VAL A 81 7.973 -5.808 3.229 1.00 0.09 H new ATOM 0 HA VAL A 81 8.908 -5.610 0.450 1.00 0.10 H new ATOM 0 HB VAL A 81 10.022 -4.165 2.861 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.918 -2.655 1.130 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.490 -4.326 0.912 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.198 -3.685 -0.130 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.723 -2.208 2.154 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.899 -3.201 0.928 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.676 -3.557 2.658 1.00 0.09 H new ATOM 1169 N SER A 82 10.602 -7.388 0.859 1.00 0.14 N ATOM 1170 CA SER A 82 11.672 -8.350 0.995 1.00 0.17 C ATOM 1171 C SER A 82 12.672 -8.174 -0.143 1.00 0.20 C ATOM 1172 O SER A 82 12.385 -8.502 -1.297 1.00 0.25 O ATOM 1173 CB SER A 82 11.102 -9.767 1.001 1.00 0.21 C ATOM 1174 OG SER A 82 9.958 -9.865 0.165 1.00 0.82 O ATOM 0 H SER A 82 10.122 -7.424 -0.040 1.00 0.14 H new ATOM 0 HA SER A 82 12.189 -8.184 1.940 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.864 -10.469 0.663 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.837 -10.051 2.019 1.00 0.21 H new ATOM 0 HG SER A 82 9.167 -10.052 0.713 1.00 0.82 H new ATOM 1180 N PHE A 83 13.834 -7.635 0.180 1.00 0.21 N ATOM 1181 CA PHE A 83 14.847 -7.350 -0.819 1.00 0.24 C ATOM 1182 C PHE A 83 16.233 -7.364 -0.195 1.00 0.24 C ATOM 1183 O PHE A 83 16.577 -6.483 0.597 1.00 0.23 O ATOM 1184 CB PHE A 83 14.578 -5.992 -1.479 1.00 0.26 C ATOM 1185 CG PHE A 83 15.675 -5.542 -2.404 1.00 0.27 C ATOM 1186 CD1 PHE A 83 15.887 -6.179 -3.615 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.498 -4.486 -2.054 1.00 0.29 C ATOM 1188 CE1 PHE A 83 16.899 -5.771 -4.461 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.514 -4.074 -2.893 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.714 -4.716 -4.100 1.00 0.34 C ATOM 0 H PHE A 83 14.100 -7.385 1.132 1.00 0.21 H new ATOM 0 HA PHE A 83 14.803 -8.126 -1.583 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.644 -6.048 -2.038 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.440 -5.241 -0.701 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.253 -7.005 -3.901 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.344 -3.978 -1.113 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.053 -6.276 -5.403 1.00 0.34 H new ATOM 0 HE2 PHE A 83 18.152 -3.251 -2.606 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.506 -4.394 -4.760 1.00 0.34 H new ATOM 1200 N GLY A 84 17.019 -8.371 -0.543 1.00 0.30 N ATOM 1201 CA GLY A 84 18.373 -8.456 -0.043 1.00 0.34 C ATOM 1202 C GLY A 84 18.419 -8.682 1.451 1.00 0.34 C ATOM 1203 O GLY A 84 18.209 -9.799 1.927 1.00 0.41 O ATOM 0 H GLY A 84 16.742 -9.132 -1.164 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.894 -9.270 -0.548 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.906 -7.537 -0.286 1.00 0.34 H new ATOM 1207 N SER A 85 18.695 -7.622 2.191 1.00 0.32 N ATOM 1208 CA SER A 85 18.798 -7.706 3.636 1.00 0.36 C ATOM 1209 C SER A 85 17.530 -7.212 4.334 1.00 0.31 C ATOM 1210 O SER A 85 17.405 -7.327 5.552 1.00 0.35 O ATOM 1211 CB SER A 85 20.001 -6.910 4.104 1.00 0.43 C ATOM 1212 OG SER A 85 19.968 -5.584 3.602 1.00 0.42 O ATOM 0 H SER A 85 18.852 -6.688 1.811 1.00 0.32 H new ATOM 0 HA SER A 85 18.922 -8.755 3.903 1.00 0.36 H new ATOM 0 HB2 SER A 85 20.024 -6.888 5.194 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.916 -7.403 3.776 1.00 0.43 H new ATOM 0 HG SER A 85 20.754 -5.094 3.921 1.00 0.42 H new ATOM 1218 N VAL A 86 16.588 -6.661 3.576 1.00 0.24 N ATOM 1219 CA VAL A 86 15.367 -6.140 4.176 1.00 0.20 C ATOM 1220 C VAL A 86 14.203 -7.110 4.006 1.00 0.17 C ATOM 1221 O VAL A 86 14.037 -7.724 2.949 1.00 0.18 O ATOM 1222 CB VAL A 86 14.964 -4.757 3.597 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.507 -4.861 2.148 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.876 -4.127 4.452 1.00 0.19 C ATOM 0 H VAL A 86 16.644 -6.565 2.562 1.00 0.24 H new ATOM 0 HA VAL A 86 15.586 -6.018 5.237 1.00 0.20 H new ATOM 0 HB VAL A 86 15.848 -4.120 3.616 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.234 -3.872 1.781 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.317 -5.263 1.539 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.643 -5.522 2.086 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.602 -3.158 4.036 1.00 0.19 H new ATOM 0 HG22 VAL A 86 13.001 -4.777 4.465 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.244 -3.994 5.469 1.00 0.19 H new ATOM 1234 N THR A 87 13.429 -7.280 5.067 1.00 0.17 N ATOM 1235 CA THR A 87 12.148 -7.956 4.984 1.00 0.17 C ATOM 1236 C THR A 87 11.215 -7.401 6.056 1.00 0.15 C ATOM 1237 O THR A 87 11.488 -7.516 7.252 1.00 0.18 O ATOM 1238 CB THR A 87 12.283 -9.479 5.158 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.332 -9.983 4.321 1.00 0.25 O ATOM 1240 CG2 THR A 87 10.976 -10.161 4.796 1.00 0.23 C ATOM 0 H THR A 87 13.671 -6.955 6.003 1.00 0.17 H new ATOM 0 HA THR A 87 11.739 -7.774 3.990 1.00 0.17 H new ATOM 0 HB THR A 87 12.525 -9.689 6.200 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.409 -10.952 4.441 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.081 -11.239 4.922 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.182 -9.795 5.447 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.725 -9.940 3.759 1.00 0.23 H new ATOM 1248 N ILE A 88 10.122 -6.794 5.616 1.00 0.12 N ATOM 1249 CA ILE A 88 9.188 -6.107 6.509 1.00 0.11 C ATOM 1250 C ILE A 88 7.778 -6.222 5.967 1.00 0.10 C ATOM 1251 O ILE A 88 7.590 -6.618 4.821 1.00 0.11 O ATOM 1252 CB ILE A 88 9.507 -4.615 6.657 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.155 -3.888 5.373 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.967 -4.407 7.014 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.529 -2.431 5.390 1.00 0.09 C ATOM 0 H ILE A 88 9.854 -6.761 4.632 1.00 0.12 H new ATOM 0 HA ILE A 88 9.282 -6.586 7.484 1.00 0.11 H new ATOM 0 HB ILE A 88 8.907 -4.205 7.470 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.659 -4.375 4.538 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.083 -3.978 5.195 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.169 -3.340 7.114 1.00 0.14 H new ATOM 0 HG22 ILE A 88 11.186 -4.907 7.957 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.597 -4.824 6.228 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.249 -1.972 4.442 1.00 0.09 H new ATOM 0 HD12 ILE A 88 9.005 -1.930 6.204 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.605 -2.333 5.537 1.00 0.09 H new ATOM 1267 N GLN A 89 6.792 -5.886 6.779 1.00 0.11 N ATOM 1268 CA GLN A 89 5.415 -5.899 6.322 1.00 0.14 C ATOM 1269 C GLN A 89 4.566 -4.891 7.101 1.00 0.14 C ATOM 1270 O GLN A 89 4.851 -4.587 8.260 1.00 0.20 O ATOM 1271 CB GLN A 89 4.835 -7.298 6.447 1.00 0.22 C ATOM 1272 CG GLN A 89 3.419 -7.437 5.914 1.00 0.68 C ATOM 1273 CD GLN A 89 2.872 -8.842 6.055 1.00 1.04 C ATOM 1274 OE1 GLN A 89 1.667 -9.034 6.229 1.00 1.53 O ATOM 1275 NE2 GLN A 89 3.747 -9.833 5.978 1.00 1.88 N ATOM 0 H GLN A 89 6.918 -5.603 7.751 1.00 0.11 H new ATOM 0 HA GLN A 89 5.400 -5.606 5.272 1.00 0.14 H new ATOM 0 HB2 GLN A 89 5.481 -7.996 5.915 1.00 0.22 H new ATOM 0 HB3 GLN A 89 4.846 -7.591 7.497 1.00 0.22 H new ATOM 0 HG2 GLN A 89 2.767 -6.744 6.445 1.00 0.68 H new ATOM 0 HG3 GLN A 89 3.402 -7.150 4.863 1.00 0.68 H new ATOM 0 HE21 GLN A 89 4.736 -9.630 5.833 1.00 1.88 H new ATOM 0 HE22 GLN A 89 3.432 -10.799 6.063 1.00 1.88 H new ATOM 1284 N CYS A 90 3.538 -4.366 6.448 1.00 0.20 N ATOM 1285 CA CYS A 90 2.581 -3.461 7.081 1.00 0.21 C ATOM 1286 C CYS A 90 1.179 -3.729 6.544 1.00 0.23 C ATOM 1287 O CYS A 90 1.032 -4.409 5.531 1.00 0.31 O ATOM 1288 CB CYS A 90 2.979 -2.011 6.828 1.00 0.22 C ATOM 1289 SG CYS A 90 3.767 -1.738 5.209 1.00 0.97 S ATOM 0 H CYS A 90 3.342 -4.554 5.465 1.00 0.20 H new ATOM 0 HA CYS A 90 2.585 -3.637 8.157 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.092 -1.382 6.900 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.663 -1.689 7.614 1.00 0.22 H new ATOM 1294 N ASN A 91 0.158 -3.194 7.209 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.228 -3.458 6.818 1.00 0.18 C ATOM 1296 C ASN A 91 -2.113 -2.221 7.004 1.00 0.16 C ATOM 1297 O ASN A 91 -1.990 -1.497 7.993 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.801 -4.645 7.610 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.924 -4.393 9.106 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -1.125 -3.674 9.709 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -2.934 -4.992 9.716 1.00 1.82 N ATOM 0 H ASN A 91 0.261 -2.579 8.016 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.224 -3.711 5.758 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.785 -4.892 7.212 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.165 -5.515 7.450 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -3.071 -4.866 10.719 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -3.575 -5.580 9.183 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.996 -1.978 6.031 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.864 -0.796 6.040 1.00 0.13 C ATOM 1310 C LEU A 92 -5.078 -0.985 6.953 1.00 0.14 C ATOM 1311 O LEU A 92 -5.675 -2.061 6.998 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.342 -0.424 4.625 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.596 0.456 4.572 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.326 1.854 5.115 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.124 0.556 3.162 1.00 0.12 C ATOM 0 H LEU A 92 -3.129 -2.587 5.224 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.257 0.020 6.431 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.533 0.093 4.109 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.538 -1.342 4.071 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.346 -0.020 5.204 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.238 2.448 5.061 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -4.999 1.785 6.153 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.547 2.331 4.520 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.014 1.185 3.150 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.361 0.994 2.518 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.379 -0.439 2.797 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.420 0.074 7.676 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.663 0.140 8.440 1.00 0.19 C ATOM 1329 C ASP A 93 -7.759 0.734 7.566 1.00 0.17 C ATOM 1330 O ASP A 93 -7.670 1.889 7.164 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.462 1.019 9.670 1.00 0.26 C ATOM 1332 CG ASP A 93 -7.596 0.901 10.668 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -8.738 1.268 10.325 1.00 2.13 O ATOM 1334 OD2 ASP A 93 -7.359 0.428 11.794 1.00 1.02 O ATOM 0 H ASP A 93 -4.844 0.913 7.750 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.949 -0.863 8.756 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.526 0.746 10.157 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -6.367 2.059 9.356 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.814 -0.029 7.250 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.854 0.435 6.328 1.00 0.19 C ATOM 1341 C PRO A 94 -10.638 1.634 6.855 1.00 0.23 C ATOM 1342 O PRO A 94 -11.334 2.315 6.098 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.779 -0.772 6.177 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.523 -1.612 7.377 1.00 0.40 C ATOM 1345 CD PRO A 94 -9.079 -1.391 7.745 1.00 0.21 C ATOM 0 HA PRO A 94 -9.416 0.779 5.391 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.823 -0.464 6.128 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.565 -1.320 5.260 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -11.182 -1.329 8.198 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.714 -2.664 7.164 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.921 -1.467 8.821 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.426 -2.126 7.274 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.519 1.908 8.145 1.00 0.26 N ATOM 1354 CA GLU A 95 -11.187 3.029 8.741 1.00 0.34 C ATOM 1355 C GLU A 95 -10.433 4.321 8.456 1.00 0.32 C ATOM 1356 O GLU A 95 -10.839 5.398 8.887 1.00 0.46 O ATOM 1357 CB GLU A 95 -11.327 2.793 10.221 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.443 1.852 10.578 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.524 1.574 12.063 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -13.162 2.368 12.786 1.00 1.21 O ATOM 1361 OE2 GLU A 95 -11.954 0.562 12.518 1.00 1.42 O ATOM 0 H GLU A 95 -9.958 1.357 8.795 1.00 0.26 H new ATOM 0 HA GLU A 95 -12.181 3.132 8.305 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.389 2.394 10.607 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -11.495 3.748 10.718 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.390 2.274 10.240 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -12.304 0.912 10.044 1.00 0.69 H new ATOM 1368 N THR A 96 -9.342 4.201 7.714 1.00 0.23 N ATOM 1369 CA THR A 96 -8.557 5.350 7.321 1.00 0.24 C ATOM 1370 C THR A 96 -8.886 5.765 5.892 1.00 0.23 C ATOM 1371 O THR A 96 -8.551 6.864 5.454 1.00 0.30 O ATOM 1372 CB THR A 96 -7.063 5.052 7.440 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.658 4.156 6.406 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.756 4.433 8.793 1.00 0.31 C ATOM 0 H THR A 96 -8.982 3.310 7.372 1.00 0.23 H new ATOM 0 HA THR A 96 -8.807 6.170 7.994 1.00 0.24 H new ATOM 0 HB THR A 96 -6.515 5.989 7.342 1.00 0.25 H new ATOM 0 HG1 THR A 96 -7.282 3.401 6.364 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.688 4.226 8.864 1.00 0.31 H new ATOM 0 HG22 THR A 96 -7.045 5.125 9.584 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.314 3.503 8.903 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.544 4.853 5.173 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.099 5.124 3.835 1.00 0.23 C ATOM 1384 C VAL A 97 -11.001 6.371 3.823 1.00 0.29 C ATOM 1385 O VAL A 97 -11.424 6.838 2.766 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.911 3.906 3.329 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.585 4.192 1.990 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.017 2.683 3.218 1.00 0.51 C ATOM 0 H VAL A 97 -9.710 3.901 5.499 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.253 5.309 3.173 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.696 3.709 4.059 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.145 3.313 1.669 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.266 5.036 2.098 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.827 4.431 1.245 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.602 1.836 2.861 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.208 2.886 2.516 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.598 2.448 4.197 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.289 6.916 4.995 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.123 8.098 5.099 1.00 0.38 C ATOM 1400 C LYS A 98 -11.378 9.324 4.602 1.00 0.40 C ATOM 1401 O LYS A 98 -11.003 10.197 5.391 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.604 8.322 6.528 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.867 7.563 6.905 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.577 6.196 7.497 1.00 0.53 C ATOM 1405 CE LYS A 98 -13.160 5.189 6.452 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.683 3.828 6.755 1.00 2.40 N ATOM 0 H LYS A 98 -10.955 6.555 5.889 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.999 7.935 4.471 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -11.807 8.035 7.213 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -12.781 9.388 6.674 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.438 8.151 7.623 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.493 7.445 6.020 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -12.788 6.287 8.244 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -14.465 5.832 8.014 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -13.522 5.508 5.475 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -12.072 5.155 6.393 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -12.974 3.116 6.488 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -13.883 3.752 7.773 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -14.558 3.664 6.217 1.00 2.40 H new