USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=17 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 -130:sc= 0.382 USER MOD Set 1.2: A 73 ASN : amide:sc= 1.06 K(o=2.7,f=-4.2!) USER MOD Set 1.3: A 75 TYR OH : rot -177:sc= 1.24 USER MOD Set 2.1: A 18 GLN : amide:sc= 0.798 K(o=1.6,f=-1) USER MOD Set 2.2: A 64 ASN : amide:sc= 0.805 K(o=1.6,f=-0.0018) USER MOD Single : A 3 GLN : amide:sc= -1.73! C(o=-1.7!,f=-6.8!) 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=-0.017) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 67:sc= 0.13 USER MOD Single : A 31 TYR OH : rot -140:sc= -0.225 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= -0.0166 (180deg=-0.157) 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 : amide:sc= -1.54! C(o=-1.5!,f=-2.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0652 USER MOD Single : A 58 GLN : amide:sc= -1.23! C(o=-1.2!,f=-1.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.73 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 46:sc= 0.0767 USER MOD Single : A 85 SER OG : rot 180:sc= 0.00453 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot -77:sc= 0.831 USER MOD Single : A 98 LYS NZ :NH3+ -139:sc= 0.473 (180deg=-3.41!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 14.678 -0.998 3.298 1.00 0.15 N ATOM 21 CA VAL A 2 13.427 -0.394 2.885 1.00 0.10 C ATOM 22 C VAL A 2 12.425 -0.379 4.043 1.00 0.09 C ATOM 23 O VAL A 2 12.477 -1.222 4.932 1.00 0.12 O ATOM 24 CB VAL A 2 12.810 -1.150 1.682 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.591 -0.428 1.181 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.808 -1.318 0.552 1.00 0.09 C ATOM 0 HA VAL A 2 13.644 0.630 2.582 1.00 0.10 H new ATOM 0 HB VAL A 2 12.526 -2.143 2.031 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.168 -0.971 0.336 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.851 -0.366 1.979 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.868 0.578 0.864 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.337 -1.853 -0.273 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.137 -0.337 0.208 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.668 -1.885 0.908 1.00 0.09 H new ATOM 36 N GLN A 3 11.522 0.586 4.011 1.00 0.09 N ATOM 37 CA GLN A 3 10.484 0.751 5.008 1.00 0.10 C ATOM 38 C GLN A 3 9.146 0.596 4.315 1.00 0.11 C ATOM 39 O GLN A 3 9.089 0.621 3.086 1.00 0.17 O ATOM 40 CB GLN A 3 10.565 2.143 5.629 1.00 0.16 C ATOM 41 CG GLN A 3 11.845 2.453 6.363 1.00 0.79 C ATOM 42 CD GLN A 3 12.140 1.522 7.531 1.00 1.14 C ATOM 43 OE1 GLN A 3 11.775 0.348 7.533 1.00 1.37 O ATOM 44 NE2 GLN A 3 12.796 2.054 8.550 1.00 2.03 N ATOM 0 H GLN A 3 11.491 1.291 3.274 1.00 0.09 H new ATOM 0 HA GLN A 3 10.605 0.008 5.797 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.431 2.882 4.839 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.732 2.262 6.321 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.675 2.406 5.658 1.00 0.79 H new ATOM 0 HG3 GLN A 3 11.799 3.477 6.733 1.00 0.79 H new ATOM 0 HE21 GLN A 3 13.085 3.032 8.516 1.00 2.03 H new ATOM 0 HE22 GLN A 3 13.013 1.486 9.369 1.00 2.03 H new ATOM 53 N CYS A 4 8.069 0.443 5.062 1.00 0.12 N ATOM 54 CA CYS A 4 6.785 0.287 4.419 1.00 0.13 C ATOM 55 C CYS A 4 5.647 0.825 5.270 1.00 0.17 C ATOM 56 O CYS A 4 5.661 0.744 6.500 1.00 0.29 O ATOM 57 CB CYS A 4 6.547 -1.179 4.069 1.00 0.17 C ATOM 58 SG CYS A 4 5.727 -2.147 5.375 1.00 0.30 S ATOM 0 H CYS A 4 8.057 0.424 6.082 1.00 0.12 H new ATOM 0 HA CYS A 4 6.804 0.876 3.502 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.942 -1.229 3.164 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.505 -1.644 3.838 1.00 0.17 H new ATOM 63 N GLU A 5 4.679 1.382 4.576 1.00 0.14 N ATOM 64 CA GLU A 5 3.458 1.901 5.148 1.00 0.16 C ATOM 65 C GLU A 5 2.336 1.588 4.175 1.00 0.15 C ATOM 66 O GLU A 5 2.583 1.052 3.097 1.00 0.17 O ATOM 67 CB GLU A 5 3.552 3.413 5.378 1.00 0.24 C ATOM 68 CG GLU A 5 4.727 3.814 6.245 1.00 0.33 C ATOM 69 CD GLU A 5 4.764 5.295 6.559 1.00 1.14 C ATOM 70 OE1 GLU A 5 5.162 6.076 5.667 1.00 1.87 O ATOM 71 OE2 GLU A 5 4.379 5.688 7.679 1.00 1.39 O ATOM 0 H GLU A 5 4.723 1.489 3.563 1.00 0.14 H new ATOM 0 HA GLU A 5 3.275 1.440 6.119 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.632 3.916 4.414 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.630 3.761 5.844 1.00 0.24 H new ATOM 0 HG2 GLU A 5 4.688 3.253 7.179 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.653 3.533 5.742 1.00 0.33 H new ATOM 78 N VAL A 6 1.115 1.901 4.542 1.00 0.17 N ATOM 79 CA VAL A 6 -0.024 1.581 3.714 1.00 0.18 C ATOM 80 C VAL A 6 -0.965 2.761 3.595 1.00 0.21 C ATOM 81 O VAL A 6 -1.397 3.329 4.597 1.00 0.33 O ATOM 82 CB VAL A 6 -0.782 0.378 4.272 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.198 -0.915 3.734 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.731 0.394 5.792 1.00 0.20 C ATOM 0 H VAL A 6 0.885 2.379 5.413 1.00 0.17 H new ATOM 0 HA VAL A 6 0.355 1.335 2.722 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.823 0.439 3.954 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.750 -1.761 4.142 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.273 -0.923 2.647 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.849 -0.990 4.026 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.274 -0.467 6.183 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.307 0.349 6.122 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.190 1.311 6.162 1.00 0.20 H new ATOM 94 N GLU A 7 -1.272 3.133 2.367 1.00 0.16 N ATOM 95 CA GLU A 7 -2.140 4.269 2.125 1.00 0.16 C ATOM 96 C GLU A 7 -3.350 3.901 1.300 1.00 0.16 C ATOM 97 O GLU A 7 -3.366 2.909 0.572 1.00 0.28 O ATOM 98 CB GLU A 7 -1.404 5.388 1.386 1.00 0.26 C ATOM 99 CG GLU A 7 -0.060 5.757 1.968 1.00 0.24 C ATOM 100 CD GLU A 7 0.160 7.255 1.952 1.00 1.05 C ATOM 101 OE1 GLU A 7 0.635 7.786 0.924 1.00 2.01 O ATOM 102 OE2 GLU A 7 -0.160 7.914 2.963 1.00 1.11 O ATOM 0 H GLU A 7 -0.935 2.667 1.525 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.458 4.607 3.111 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.264 5.087 0.348 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -2.036 6.276 1.378 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.007 5.389 2.992 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.731 5.266 1.400 1.00 0.24 H new ATOM 109 N ALA A 8 -4.354 4.736 1.435 1.00 0.14 N ATOM 110 CA ALA A 8 -5.502 4.726 0.570 1.00 0.12 C ATOM 111 C ALA A 8 -5.709 6.154 0.079 1.00 0.15 C ATOM 112 O ALA A 8 -5.844 7.071 0.885 1.00 0.17 O ATOM 113 CB ALA A 8 -6.705 4.236 1.344 1.00 0.13 C ATOM 0 H ALA A 8 -4.393 5.451 2.161 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.359 4.060 -0.281 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.578 4.227 0.692 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.515 3.227 1.711 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.890 4.900 2.188 1.00 0.13 H new ATOM 119 N ALA A 9 -5.730 6.346 -1.221 1.00 0.16 N ATOM 120 CA ALA A 9 -5.790 7.682 -1.791 1.00 0.19 C ATOM 121 C ALA A 9 -7.166 7.955 -2.366 1.00 0.19 C ATOM 122 O ALA A 9 -7.514 7.461 -3.433 1.00 0.20 O ATOM 123 CB ALA A 9 -4.724 7.834 -2.863 1.00 0.22 C ATOM 0 H ALA A 9 -5.706 5.594 -1.909 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.602 8.410 -1.002 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -4.774 8.837 -3.286 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -3.740 7.675 -2.423 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -4.892 7.099 -3.650 1.00 0.22 H new ATOM 129 N VAL A 10 -7.945 8.755 -1.666 1.00 0.22 N ATOM 130 CA VAL A 10 -9.320 8.982 -2.064 1.00 0.23 C ATOM 131 C VAL A 10 -9.429 10.079 -3.113 1.00 0.27 C ATOM 132 O VAL A 10 -8.804 11.136 -3.001 1.00 0.33 O ATOM 133 CB VAL A 10 -10.213 9.324 -0.859 1.00 0.25 C ATOM 134 CG1 VAL A 10 -11.638 9.601 -1.309 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.183 8.187 0.149 1.00 0.27 C ATOM 0 H VAL A 10 -7.653 9.255 -0.826 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.672 8.048 -2.502 1.00 0.23 H new ATOM 0 HB VAL A 10 -9.827 10.225 -0.383 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.253 9.841 -0.442 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -11.644 10.442 -2.002 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.040 8.719 -1.807 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -10.818 8.437 0.999 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.549 7.274 -0.321 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.160 8.033 0.493 1.00 0.27 H new ATOM 145 N SER A 11 -10.213 9.793 -4.136 1.00 0.29 N ATOM 146 CA SER A 11 -10.530 10.747 -5.175 1.00 0.36 C ATOM 147 C SER A 11 -12.048 10.907 -5.256 1.00 0.45 C ATOM 148 O SER A 11 -12.782 10.251 -4.514 1.00 0.63 O ATOM 149 CB SER A 11 -9.972 10.269 -6.509 1.00 0.45 C ATOM 150 OG SER A 11 -8.629 9.826 -6.378 1.00 1.22 O ATOM 0 H SER A 11 -10.651 8.881 -4.268 1.00 0.29 H new ATOM 0 HA SER A 11 -10.078 11.711 -4.942 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.589 9.457 -6.894 1.00 0.45 H new ATOM 0 HB3 SER A 11 -10.021 11.079 -7.237 1.00 0.45 H new ATOM 0 HG SER A 11 -8.298 9.524 -7.249 1.00 1.22 H new ATOM 156 N GLY A 12 -12.518 11.780 -6.132 1.00 0.45 N ATOM 157 CA GLY A 12 -13.945 12.005 -6.261 1.00 0.54 C ATOM 158 C GLY A 12 -14.670 10.822 -6.880 1.00 0.49 C ATOM 159 O GLY A 12 -14.774 10.723 -8.103 1.00 0.61 O ATOM 0 H GLY A 12 -11.938 12.339 -6.758 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.367 12.211 -5.277 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.115 12.891 -6.872 1.00 0.54 H new ATOM 163 N GLY A 13 -15.152 9.915 -6.036 1.00 0.45 N ATOM 164 CA GLY A 13 -15.922 8.779 -6.514 1.00 0.48 C ATOM 165 C GLY A 13 -15.122 7.492 -6.546 1.00 0.41 C ATOM 166 O GLY A 13 -15.672 6.412 -6.766 1.00 0.45 O ATOM 0 H GLY A 13 -15.023 9.946 -5.025 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.793 8.643 -5.874 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.293 8.995 -7.516 1.00 0.48 H new ATOM 170 N HIS A 14 -13.822 7.597 -6.319 1.00 0.34 N ATOM 171 CA HIS A 14 -12.941 6.436 -6.346 1.00 0.31 C ATOM 172 C HIS A 14 -11.906 6.541 -5.241 1.00 0.30 C ATOM 173 O HIS A 14 -11.670 7.619 -4.707 1.00 0.43 O ATOM 174 CB HIS A 14 -12.230 6.309 -7.699 1.00 0.34 C ATOM 175 CG HIS A 14 -13.120 5.885 -8.825 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.450 6.710 -9.877 1.00 1.56 N ATOM 177 CD2 HIS A 14 -13.739 4.706 -9.067 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.234 6.060 -10.715 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.425 4.841 -10.248 1.00 1.82 N ATOM 0 H HIS A 14 -13.350 8.478 -6.113 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.555 5.548 -6.192 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.778 7.269 -7.950 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.417 5.589 -7.603 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -13.700 3.823 -8.446 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -14.649 6.458 -11.629 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -14.990 4.117 -10.692 1.00 1.82 H new ATOM 188 N VAL A 15 -11.308 5.423 -4.887 1.00 0.23 N ATOM 189 CA VAL A 15 -10.237 5.416 -3.913 1.00 0.20 C ATOM 190 C VAL A 15 -9.083 4.558 -4.427 1.00 0.18 C ATOM 191 O VAL A 15 -9.238 3.367 -4.667 1.00 0.17 O ATOM 192 CB VAL A 15 -10.728 4.933 -2.516 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.427 3.578 -2.582 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.576 4.888 -1.527 1.00 0.17 C ATOM 0 H VAL A 15 -11.546 4.504 -5.261 1.00 0.23 H new ATOM 0 HA VAL A 15 -9.884 6.439 -3.780 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.464 5.659 -2.170 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.750 3.286 -1.583 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.295 3.648 -3.238 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.736 2.831 -2.973 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -9.941 4.548 -0.558 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.813 4.199 -1.889 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.146 5.884 -1.423 1.00 0.17 H new ATOM 204 N THR A 16 -7.934 5.178 -4.617 1.00 0.17 N ATOM 205 CA THR A 16 -6.768 4.487 -5.127 1.00 0.16 C ATOM 206 C THR A 16 -5.899 4.039 -3.972 1.00 0.14 C ATOM 207 O THR A 16 -5.356 4.851 -3.244 1.00 0.15 O ATOM 208 CB THR A 16 -5.942 5.405 -6.044 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.712 5.772 -7.191 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.653 4.726 -6.477 1.00 0.19 C ATOM 0 H THR A 16 -7.784 6.168 -4.423 1.00 0.17 H new ATOM 0 HA THR A 16 -7.107 3.625 -5.702 1.00 0.16 H new ATOM 0 HB THR A 16 -5.682 6.303 -5.483 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.180 6.358 -7.769 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.088 5.397 -7.124 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.057 4.483 -5.598 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.889 3.811 -7.020 1.00 0.19 H new ATOM 218 N LEU A 17 -5.747 2.751 -3.816 1.00 0.12 N ATOM 219 CA LEU A 17 -5.047 2.229 -2.674 1.00 0.10 C ATOM 220 C LEU A 17 -3.680 1.712 -3.077 1.00 0.13 C ATOM 221 O LEU A 17 -3.541 1.053 -4.106 1.00 0.17 O ATOM 222 CB LEU A 17 -5.874 1.144 -2.027 1.00 0.11 C ATOM 223 CG LEU A 17 -5.829 1.150 -0.513 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.217 0.938 0.042 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.860 0.103 -0.005 1.00 0.11 C ATOM 0 H LEU A 17 -6.098 2.046 -4.464 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.894 3.028 -1.949 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.910 1.251 -2.349 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.527 0.175 -2.386 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.470 2.120 -0.169 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.178 0.943 1.131 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.872 1.738 -0.302 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.604 -0.021 -0.303 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.841 0.123 1.085 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.178 -0.883 -0.345 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.862 0.314 -0.389 1.00 0.11 H new ATOM 237 N GLN A 18 -2.678 2.055 -2.278 1.00 0.15 N ATOM 238 CA GLN A 18 -1.302 1.688 -2.552 1.00 0.19 C ATOM 239 C GLN A 18 -0.454 1.862 -1.290 1.00 0.24 C ATOM 240 O GLN A 18 -0.666 2.795 -0.515 1.00 0.51 O ATOM 241 CB GLN A 18 -0.761 2.537 -3.706 1.00 0.32 C ATOM 242 CG GLN A 18 -1.208 3.994 -3.664 1.00 0.78 C ATOM 243 CD GLN A 18 -0.750 4.789 -4.873 1.00 1.03 C ATOM 244 OE1 GLN A 18 -0.593 4.248 -5.968 1.00 1.58 O ATOM 245 NE2 GLN A 18 -0.537 6.083 -4.685 1.00 1.77 N ATOM 0 H GLN A 18 -2.800 2.596 -1.422 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.255 0.640 -2.848 1.00 0.19 H new ATOM 0 HB2 GLN A 18 0.328 2.501 -3.691 1.00 0.32 H new ATOM 0 HB3 GLN A 18 -1.082 2.096 -4.650 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -2.295 4.033 -3.601 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -0.819 4.462 -2.760 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -0.678 6.494 -3.762 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -0.232 6.668 -5.463 1.00 1.77 H new ATOM 254 N GLY A 19 0.498 0.963 -1.079 1.00 0.17 N ATOM 255 CA GLY A 19 1.303 0.999 0.129 1.00 0.18 C ATOM 256 C GLY A 19 2.575 1.809 -0.048 1.00 0.18 C ATOM 257 O GLY A 19 3.315 1.598 -0.999 1.00 0.19 O ATOM 0 H GLY A 19 0.729 0.207 -1.724 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.715 1.424 0.942 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.561 -0.019 0.421 1.00 0.18 H new ATOM 261 N VAL A 20 2.838 2.729 0.871 1.00 0.17 N ATOM 262 CA VAL A 20 3.997 3.606 0.760 1.00 0.18 C ATOM 263 C VAL A 20 5.239 2.982 1.360 1.00 0.21 C ATOM 264 O VAL A 20 5.312 2.689 2.540 1.00 0.45 O ATOM 265 CB VAL A 20 3.737 4.988 1.395 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.011 5.616 1.948 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.109 5.914 0.373 1.00 0.20 C ATOM 0 H VAL A 20 2.266 2.887 1.700 1.00 0.17 H new ATOM 0 HA VAL A 20 4.170 3.749 -0.307 1.00 0.18 H new ATOM 0 HB VAL A 20 3.054 4.841 2.232 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.778 6.587 2.385 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.434 4.966 2.714 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.733 5.745 1.142 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.928 6.888 0.827 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.783 6.029 -0.476 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.164 5.492 0.031 1.00 0.20 H new ATOM 277 N ILE A 21 6.206 2.790 0.515 1.00 0.13 N ATOM 278 CA ILE A 21 7.488 2.260 0.893 1.00 0.11 C ATOM 279 C ILE A 21 8.509 3.375 0.983 1.00 0.13 C ATOM 280 O ILE A 21 8.931 3.924 -0.024 1.00 0.14 O ATOM 281 CB ILE A 21 7.933 1.215 -0.142 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.408 -0.143 0.255 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.442 1.164 -0.321 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.522 -1.129 -0.862 1.00 0.10 C ATOM 0 H ILE A 21 6.127 3.001 -0.480 1.00 0.13 H new ATOM 0 HA ILE A 21 7.408 1.786 1.871 1.00 0.11 H new ATOM 0 HB ILE A 21 7.516 1.513 -1.104 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.961 -0.508 1.120 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.365 -0.055 0.558 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.695 0.408 -1.064 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.802 2.137 -0.656 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.913 0.911 0.629 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.134 -2.094 -0.536 1.00 0.10 H new ATOM 0 HD12 ILE A 21 6.947 -0.777 -1.718 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.569 -1.237 -1.147 1.00 0.10 H new ATOM 296 N THR A 22 8.883 3.753 2.175 1.00 0.13 N ATOM 297 CA THR A 22 9.993 4.660 2.303 1.00 0.14 C ATOM 298 C THR A 22 11.256 3.854 2.212 1.00 0.14 C ATOM 299 O THR A 22 11.369 2.818 2.833 1.00 0.18 O ATOM 300 CB THR A 22 9.988 5.425 3.622 1.00 0.16 C ATOM 301 OG1 THR A 22 8.655 5.852 3.940 1.00 0.20 O ATOM 302 CG2 THR A 22 10.907 6.625 3.516 1.00 0.17 C ATOM 0 H THR A 22 8.450 3.458 3.050 1.00 0.13 H new ATOM 0 HA THR A 22 9.919 5.401 1.507 1.00 0.14 H new ATOM 0 HB THR A 22 10.343 4.770 4.417 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.662 6.341 4.789 1.00 0.20 H new ATOM 0 HG21 THR A 22 10.903 7.171 4.459 1.00 0.17 H new ATOM 0 HG22 THR A 22 11.920 6.289 3.296 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.560 7.279 2.716 1.00 0.17 H new ATOM 310 N ALA A 23 12.197 4.291 1.437 1.00 0.12 N ATOM 311 CA ALA A 23 13.411 3.541 1.311 1.00 0.12 C ATOM 312 C ALA A 23 14.576 4.405 1.692 1.00 0.14 C ATOM 313 O ALA A 23 14.787 5.438 1.102 1.00 0.16 O ATOM 314 CB ALA A 23 13.544 3.043 -0.104 1.00 0.11 C ATOM 0 H ALA A 23 12.153 5.150 0.888 1.00 0.12 H new ATOM 0 HA ALA A 23 13.391 2.680 1.980 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.467 2.472 -0.203 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.694 2.405 -0.346 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.567 3.892 -0.788 1.00 0.11 H new ATOM 320 N VAL A 24 15.319 3.985 2.691 1.00 0.16 N ATOM 321 CA VAL A 24 16.414 4.788 3.214 1.00 0.18 C ATOM 322 C VAL A 24 17.547 4.965 2.204 1.00 0.20 C ATOM 323 O VAL A 24 18.365 5.878 2.336 1.00 0.25 O ATOM 324 CB VAL A 24 16.962 4.183 4.519 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.159 4.970 5.023 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.861 4.136 5.560 1.00 0.23 C ATOM 0 H VAL A 24 15.189 3.090 3.162 1.00 0.16 H new ATOM 0 HA VAL A 24 16.003 5.776 3.420 1.00 0.18 H new ATOM 0 HB VAL A 24 17.302 3.166 4.322 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.527 4.522 5.946 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.948 4.953 4.272 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.862 6.001 5.214 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.251 3.707 6.483 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.500 5.146 5.753 1.00 0.23 H new ATOM 0 HG23 VAL A 24 15.039 3.521 5.193 1.00 0.23 H new ATOM 336 N ARG A 25 17.592 4.123 1.186 1.00 0.21 N ATOM 337 CA ARG A 25 18.647 4.222 0.197 1.00 0.24 C ATOM 338 C ARG A 25 18.100 4.245 -1.223 1.00 0.23 C ATOM 339 O ARG A 25 17.214 3.466 -1.574 1.00 0.26 O ATOM 340 CB ARG A 25 19.633 3.107 0.391 1.00 0.33 C ATOM 341 CG ARG A 25 20.510 3.377 1.588 1.00 0.40 C ATOM 342 CD ARG A 25 21.075 2.109 2.144 1.00 0.73 C ATOM 343 NE ARG A 25 22.099 2.357 3.155 1.00 0.80 N ATOM 344 CZ ARG A 25 22.781 1.399 3.783 1.00 1.41 C ATOM 345 NH1 ARG A 25 22.552 0.118 3.508 1.00 2.18 N ATOM 346 NH2 ARG A 25 23.697 1.724 4.686 1.00 1.42 N ATOM 0 H ARG A 25 16.919 3.373 1.025 1.00 0.21 H new ATOM 0 HA ARG A 25 19.161 5.172 0.342 1.00 0.24 H new ATOM 0 HB2 ARG A 25 19.102 2.165 0.527 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.249 3.000 -0.502 1.00 0.33 H new ATOM 0 HG2 ARG A 25 21.322 4.046 1.303 1.00 0.40 H new ATOM 0 HG3 ARG A 25 19.932 3.888 2.358 1.00 0.40 H new ATOM 0 HD2 ARG A 25 20.271 1.516 2.581 1.00 0.73 H new ATOM 0 HD3 ARG A 25 21.502 1.518 1.334 1.00 0.73 H new ATOM 0 HE ARG A 25 22.306 3.326 3.396 1.00 0.80 H new ATOM 0 HH11 ARG A 25 21.851 -0.137 2.813 1.00 2.18 H new ATOM 0 HH12 ARG A 25 23.078 -0.610 3.993 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.878 2.705 4.898 1.00 1.42 H new ATOM 0 HH22 ARG A 25 24.220 0.993 5.168 1.00 1.42 H new ATOM 360 N ASP A 26 18.624 5.166 -2.027 1.00 0.23 N ATOM 361 CA ASP A 26 18.177 5.340 -3.400 1.00 0.25 C ATOM 362 C ASP A 26 18.686 4.201 -4.270 1.00 0.24 C ATOM 363 O ASP A 26 19.749 3.636 -4.013 1.00 0.32 O ATOM 364 CB ASP A 26 18.650 6.686 -3.966 1.00 0.31 C ATOM 365 CG ASP A 26 20.110 6.680 -4.382 1.00 0.78 C ATOM 366 OD1 ASP A 26 20.986 6.750 -3.493 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.388 6.583 -5.594 1.00 1.54 O ATOM 0 H ASP A 26 19.365 5.807 -1.745 1.00 0.23 H new ATOM 0 HA ASP A 26 17.087 5.330 -3.404 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.035 6.947 -4.827 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.496 7.462 -3.217 1.00 0.31 H new ATOM 372 N GLY A 27 17.914 3.864 -5.280 1.00 0.24 N ATOM 373 CA GLY A 27 18.254 2.770 -6.151 1.00 0.26 C ATOM 374 C GLY A 27 17.015 1.997 -6.513 1.00 0.21 C ATOM 375 O GLY A 27 16.057 2.574 -7.026 1.00 0.23 O ATOM 0 H GLY A 27 17.042 4.338 -5.516 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.733 3.148 -7.054 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.972 2.113 -5.660 1.00 0.26 H new ATOM 379 N ALA A 28 17.005 0.713 -6.215 1.00 0.19 N ATOM 380 CA ALA A 28 15.841 -0.112 -6.470 1.00 0.18 C ATOM 381 C ALA A 28 15.646 -1.117 -5.347 1.00 0.24 C ATOM 382 O ALA A 28 16.524 -1.295 -4.503 1.00 0.45 O ATOM 383 CB ALA A 28 15.967 -0.815 -7.812 1.00 0.21 C ATOM 0 H ALA A 28 17.792 0.218 -5.795 1.00 0.19 H new ATOM 0 HA ALA A 28 14.962 0.531 -6.507 1.00 0.18 H new ATOM 0 HB1 ALA A 28 15.084 -1.429 -7.985 1.00 0.21 H new ATOM 0 HB2 ALA A 28 16.054 -0.072 -8.605 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.854 -1.448 -7.809 1.00 0.21 H new ATOM 389 N GLY A 29 14.487 -1.749 -5.329 1.00 0.15 N ATOM 390 CA GLY A 29 14.184 -2.735 -4.325 1.00 0.19 C ATOM 391 C GLY A 29 12.994 -3.562 -4.734 1.00 0.17 C ATOM 392 O GLY A 29 12.268 -3.189 -5.656 1.00 0.21 O ATOM 0 H GLY A 29 13.740 -1.591 -6.005 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.048 -3.382 -4.171 1.00 0.19 H new ATOM 0 HA3 GLY A 29 13.981 -2.243 -3.374 1.00 0.19 H new ATOM 396 N SER A 30 12.770 -4.665 -4.053 1.00 0.15 N ATOM 397 CA SER A 30 11.669 -5.540 -4.400 1.00 0.15 C ATOM 398 C SER A 30 10.722 -5.691 -3.224 1.00 0.13 C ATOM 399 O SER A 30 11.151 -5.830 -2.076 1.00 0.14 O ATOM 400 CB SER A 30 12.186 -6.899 -4.862 1.00 0.20 C ATOM 401 OG SER A 30 13.056 -7.480 -3.900 1.00 0.23 O ATOM 0 H SER A 30 13.331 -4.977 -3.260 1.00 0.15 H new ATOM 0 HA SER A 30 11.118 -5.092 -5.226 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.344 -7.567 -5.043 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.713 -6.786 -5.809 1.00 0.20 H new ATOM 0 HG SER A 30 12.549 -7.699 -3.091 1.00 0.23 H new ATOM 407 N TYR A 31 9.435 -5.648 -3.524 1.00 0.13 N ATOM 408 CA TYR A 31 8.402 -5.634 -2.506 1.00 0.11 C ATOM 409 C TYR A 31 7.074 -6.151 -3.065 1.00 0.13 C ATOM 410 O TYR A 31 6.844 -6.122 -4.276 1.00 0.18 O ATOM 411 CB TYR A 31 8.254 -4.222 -1.945 1.00 0.10 C ATOM 412 CG TYR A 31 8.922 -3.136 -2.774 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.352 -2.714 -3.963 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.105 -2.514 -2.351 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.931 -1.715 -4.713 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.682 -1.504 -3.100 1.00 0.09 C ATOM 417 CZ TYR A 31 10.091 -1.112 -4.279 1.00 0.11 C ATOM 418 OH TYR A 31 10.657 -0.105 -5.020 1.00 0.13 O ATOM 0 H TYR A 31 9.079 -5.622 -4.479 1.00 0.13 H new ATOM 0 HA TYR A 31 8.694 -6.303 -1.696 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.193 -3.991 -1.855 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.671 -4.200 -0.938 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.439 -3.176 -4.308 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.572 -2.827 -1.429 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.476 -1.404 -5.642 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.590 -1.027 -2.762 1.00 0.09 H new ATOM 0 HH TYR A 31 11.632 -0.206 -5.019 1.00 0.13 H new ATOM 428 N LYS A 32 6.211 -6.622 -2.174 1.00 0.13 N ATOM 429 CA LYS A 32 4.953 -7.258 -2.558 1.00 0.14 C ATOM 430 C LYS A 32 3.759 -6.618 -1.855 1.00 0.14 C ATOM 431 O LYS A 32 3.600 -6.757 -0.641 1.00 0.13 O ATOM 432 CB LYS A 32 4.997 -8.752 -2.215 1.00 0.16 C ATOM 433 CG LYS A 32 5.857 -9.079 -1.010 1.00 0.17 C ATOM 434 CD LYS A 32 7.277 -9.448 -1.414 1.00 0.25 C ATOM 435 CE LYS A 32 7.318 -10.737 -2.224 1.00 0.40 C ATOM 436 NZ LYS A 32 6.887 -11.914 -1.427 1.00 1.26 N ATOM 0 H LYS A 32 6.361 -6.575 -1.166 1.00 0.13 H new ATOM 0 HA LYS A 32 4.831 -7.122 -3.633 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.982 -9.103 -2.031 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.373 -9.302 -3.078 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.881 -8.222 -0.337 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.410 -9.905 -0.457 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.711 -8.637 -1.999 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.891 -9.560 -0.521 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.674 -10.636 -3.097 1.00 0.40 H new ATOM 0 HE3 LYS A 32 8.331 -10.901 -2.592 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 7.120 -12.787 -1.942 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 7.378 -11.911 -0.510 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 5.860 -11.869 -1.269 1.00 1.26 H new ATOM 450 N LEU A 33 2.910 -5.941 -2.613 1.00 0.17 N ATOM 451 CA LEU A 33 1.731 -5.301 -2.047 1.00 0.17 C ATOM 452 C LEU A 33 0.477 -6.095 -2.398 1.00 0.19 C ATOM 453 O LEU A 33 0.287 -6.523 -3.534 1.00 0.27 O ATOM 454 CB LEU A 33 1.624 -3.842 -2.540 1.00 0.22 C ATOM 455 CG LEU A 33 0.434 -3.003 -2.018 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.852 -3.354 -2.741 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.251 -3.177 -0.515 1.00 0.49 C ATOM 0 H LEU A 33 3.015 -5.820 -3.620 1.00 0.17 H new ATOM 0 HA LEU A 33 1.826 -5.284 -0.961 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.545 -3.326 -2.269 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.575 -3.856 -3.629 1.00 0.22 H new ATOM 0 HG LEU A 33 0.668 -1.958 -2.220 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.667 -2.746 -2.349 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.735 -3.160 -3.807 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.080 -4.409 -2.587 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.593 -2.575 -0.179 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.060 -4.226 -0.291 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.155 -2.855 0.001 1.00 0.49 H new ATOM 469 N ALA A 34 -0.365 -6.299 -1.405 1.00 0.16 N ATOM 470 CA ALA A 34 -1.664 -6.920 -1.616 1.00 0.19 C ATOM 471 C ALA A 34 -2.756 -6.090 -0.948 1.00 0.18 C ATOM 472 O ALA A 34 -2.563 -5.573 0.150 1.00 0.25 O ATOM 473 CB ALA A 34 -1.663 -8.346 -1.084 1.00 0.25 C ATOM 0 H ALA A 34 -0.174 -6.043 -0.436 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.868 -6.959 -2.686 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.642 -8.797 -1.249 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.903 -8.928 -1.605 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.444 -8.336 -0.016 1.00 0.25 H new ATOM 479 N VAL A 35 -3.890 -5.948 -1.619 1.00 0.16 N ATOM 480 CA VAL A 35 -5.006 -5.172 -1.088 1.00 0.14 C ATOM 481 C VAL A 35 -6.194 -6.092 -0.823 1.00 0.16 C ATOM 482 O VAL A 35 -6.409 -7.065 -1.546 1.00 0.23 O ATOM 483 CB VAL A 35 -5.439 -4.036 -2.053 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.437 -3.103 -1.381 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.235 -3.249 -2.538 1.00 0.21 C ATOM 0 H VAL A 35 -4.064 -6.361 -2.535 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.671 -4.711 -0.159 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.921 -4.498 -2.914 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.725 -2.316 -2.078 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.321 -3.668 -1.086 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.980 -2.657 -0.498 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.565 -2.459 -3.213 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.722 -2.807 -1.684 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.553 -3.916 -3.066 1.00 0.21 H new ATOM 495 N ASP A 36 -6.948 -5.793 0.216 1.00 0.19 N ATOM 496 CA ASP A 36 -8.082 -6.612 0.609 1.00 0.24 C ATOM 497 C ASP A 36 -9.342 -5.765 0.689 1.00 0.25 C ATOM 498 O ASP A 36 -9.434 -4.846 1.503 1.00 0.31 O ATOM 499 CB ASP A 36 -7.809 -7.269 1.958 1.00 0.33 C ATOM 500 CG ASP A 36 -8.925 -8.195 2.389 1.00 1.05 C ATOM 501 OD1 ASP A 36 -9.035 -9.301 1.819 1.00 1.52 O ATOM 502 OD2 ASP A 36 -9.690 -7.829 3.303 1.00 1.67 O ATOM 0 H ASP A 36 -6.794 -4.979 0.811 1.00 0.19 H new ATOM 0 HA ASP A 36 -8.229 -7.389 -0.141 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.876 -7.831 1.903 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -7.671 -6.496 2.714 1.00 0.33 H new ATOM 507 N LYS A 37 -10.305 -6.068 -0.161 1.00 0.28 N ATOM 508 CA LYS A 37 -11.520 -5.296 -0.239 1.00 0.33 C ATOM 509 C LYS A 37 -12.717 -6.110 0.224 1.00 0.46 C ATOM 510 O LYS A 37 -12.859 -7.280 -0.130 1.00 0.63 O ATOM 511 CB LYS A 37 -11.699 -4.813 -1.665 1.00 0.42 C ATOM 512 CG LYS A 37 -13.135 -4.592 -2.060 1.00 0.95 C ATOM 513 CD LYS A 37 -13.251 -3.998 -3.460 1.00 0.77 C ATOM 514 CE LYS A 37 -12.932 -5.015 -4.541 1.00 1.13 C ATOM 515 NZ LYS A 37 -13.049 -4.435 -5.906 1.00 1.34 N ATOM 0 H LYS A 37 -10.263 -6.853 -0.811 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.448 -4.436 0.426 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -11.150 -3.880 -1.794 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -11.254 -5.541 -2.343 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.673 -5.539 -2.021 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.611 -3.925 -1.341 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -14.261 -3.617 -3.609 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.573 -3.149 -3.550 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.921 -5.395 -4.394 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -13.608 -5.865 -4.449 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -12.823 -5.163 -6.613 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -14.020 -4.096 -6.057 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -12.386 -3.640 -6.003 1.00 1.34 H new ATOM 622 N ILE A 46 -6.777 -8.449 -3.855 1.00 0.38 N ATOM 623 CA ILE A 46 -5.931 -7.866 -4.882 1.00 0.33 C ATOM 624 C ILE A 46 -4.468 -8.093 -4.527 1.00 0.30 C ATOM 625 O ILE A 46 -4.099 -8.028 -3.356 1.00 0.34 O ATOM 626 CB ILE A 46 -6.191 -6.359 -5.038 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.650 -6.104 -5.410 1.00 0.44 C ATOM 628 CG2 ILE A 46 -5.273 -5.763 -6.089 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.562 -5.892 -4.220 1.00 0.40 C ATOM 0 HA ILE A 46 -6.167 -8.351 -5.829 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.983 -5.877 -4.082 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.702 -5.227 -6.055 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -8.019 -6.949 -5.991 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -5.473 -4.696 -6.184 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -4.235 -5.912 -5.792 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -5.451 -6.252 -7.047 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.580 -5.717 -4.568 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.543 -6.777 -3.585 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -8.221 -5.028 -3.649 1.00 0.40 H new ATOM 641 N LYS A 47 -3.639 -8.369 -5.520 1.00 0.31 N ATOM 642 CA LYS A 47 -2.226 -8.599 -5.277 1.00 0.38 C ATOM 643 C LYS A 47 -1.375 -8.080 -6.427 1.00 0.41 C ATOM 644 O LYS A 47 -1.574 -8.460 -7.579 1.00 0.51 O ATOM 645 CB LYS A 47 -1.974 -10.071 -5.059 1.00 0.51 C ATOM 646 CG LYS A 47 -0.551 -10.389 -4.661 1.00 0.91 C ATOM 647 CD LYS A 47 -0.439 -11.827 -4.226 1.00 1.56 C ATOM 648 CE LYS A 47 0.978 -12.184 -3.825 1.00 2.17 C ATOM 649 NZ LYS A 47 1.108 -13.623 -3.484 1.00 2.74 N ATOM 0 H LYS A 47 -3.919 -8.439 -6.498 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.941 -8.050 -4.379 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.649 -10.436 -4.285 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -2.216 -10.612 -5.974 1.00 0.51 H new ATOM 0 HG2 LYS A 47 0.119 -10.203 -5.500 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -0.237 -9.731 -3.850 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -1.111 -12.006 -3.386 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -0.762 -12.479 -5.038 1.00 1.56 H new ATOM 0 HE2 LYS A 47 1.659 -11.941 -4.641 1.00 2.17 H new ATOM 0 HE3 LYS A 47 1.277 -11.579 -2.969 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 2.091 -13.829 -3.215 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 0.477 -13.850 -2.689 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 0.847 -14.200 -4.309 1.00 2.74 H new ATOM 663 N GLN A 48 -0.439 -7.199 -6.108 1.00 0.40 N ATOM 664 CA GLN A 48 0.482 -6.657 -7.093 1.00 0.47 C ATOM 665 C GLN A 48 1.879 -6.554 -6.490 1.00 0.50 C ATOM 666 O GLN A 48 2.109 -5.802 -5.544 1.00 0.78 O ATOM 667 CB GLN A 48 -0.004 -5.287 -7.578 1.00 0.52 C ATOM 668 CG GLN A 48 -1.252 -5.363 -8.447 1.00 0.55 C ATOM 669 CD GLN A 48 -1.899 -4.013 -8.697 1.00 0.82 C ATOM 670 OE1 GLN A 48 -3.110 -3.925 -8.895 1.00 1.63 O ATOM 671 NE2 GLN A 48 -1.108 -2.955 -8.691 1.00 1.37 N ATOM 0 H GLN A 48 -0.297 -6.842 -5.163 1.00 0.40 H new ATOM 0 HA GLN A 48 0.522 -7.326 -7.953 1.00 0.47 H new ATOM 0 HB2 GLN A 48 -0.210 -4.655 -6.714 1.00 0.52 H new ATOM 0 HB3 GLN A 48 0.794 -4.805 -8.142 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.992 -5.815 -9.404 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.978 -6.022 -7.970 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -0.108 -3.067 -8.523 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -1.497 -2.026 -8.854 1.00 1.37 H new ATOM 680 N ALA A 49 2.812 -7.309 -7.047 1.00 0.32 N ATOM 681 CA ALA A 49 4.150 -7.398 -6.489 1.00 0.31 C ATOM 682 C ALA A 49 5.205 -7.277 -7.576 1.00 0.31 C ATOM 683 O ALA A 49 4.895 -7.349 -8.766 1.00 0.39 O ATOM 684 CB ALA A 49 4.316 -8.714 -5.745 1.00 0.33 C ATOM 0 H ALA A 49 2.666 -7.870 -7.887 1.00 0.32 H new ATOM 0 HA ALA A 49 4.285 -6.571 -5.792 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.322 -8.773 -5.330 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.586 -8.770 -4.937 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.159 -9.544 -6.434 1.00 0.33 H new ATOM 690 N GLY A 50 6.444 -7.074 -7.162 1.00 0.25 N ATOM 691 CA GLY A 50 7.539 -6.989 -8.101 1.00 0.26 C ATOM 692 C GLY A 50 8.712 -6.241 -7.527 1.00 0.23 C ATOM 693 O GLY A 50 9.019 -6.366 -6.338 1.00 0.25 O ATOM 0 H GLY A 50 6.712 -6.966 -6.184 1.00 0.25 H new ATOM 0 HA2 GLY A 50 7.853 -7.993 -8.385 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.200 -6.492 -9.010 1.00 0.26 H new ATOM 697 N ALA A 51 9.356 -5.458 -8.364 1.00 0.23 N ATOM 698 CA ALA A 51 10.477 -4.649 -7.946 1.00 0.21 C ATOM 699 C ALA A 51 10.395 -3.287 -8.615 1.00 0.23 C ATOM 700 O ALA A 51 10.028 -3.184 -9.789 1.00 0.38 O ATOM 701 CB ALA A 51 11.780 -5.342 -8.281 1.00 0.23 C ATOM 0 H ALA A 51 9.117 -5.365 -9.351 1.00 0.23 H new ATOM 0 HA ALA A 51 10.442 -4.511 -6.865 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.616 -4.720 -7.960 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.824 -6.302 -7.767 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.840 -5.503 -9.357 1.00 0.23 H new ATOM 707 N PHE A 52 10.723 -2.249 -7.876 1.00 0.15 N ATOM 708 CA PHE A 52 10.598 -0.893 -8.373 1.00 0.16 C ATOM 709 C PHE A 52 11.763 -0.048 -7.860 1.00 0.14 C ATOM 710 O PHE A 52 12.540 -0.493 -7.010 1.00 0.16 O ATOM 711 CB PHE A 52 9.234 -0.321 -7.953 1.00 0.17 C ATOM 712 CG PHE A 52 8.955 1.079 -8.424 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.959 1.393 -9.774 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.698 2.082 -7.508 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.708 2.683 -10.197 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.448 3.374 -7.923 1.00 0.18 C ATOM 717 CZ PHE A 52 8.452 3.675 -9.270 1.00 0.23 C ATOM 0 H PHE A 52 11.080 -2.318 -6.923 1.00 0.15 H new ATOM 0 HA PHE A 52 10.642 -0.881 -9.462 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.450 -0.978 -8.331 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.169 -0.341 -6.865 1.00 0.17 H new ATOM 0 HD1 PHE A 52 9.160 0.621 -10.502 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.693 1.851 -6.453 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.712 2.916 -11.251 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.250 4.148 -7.196 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.255 4.685 -9.599 1.00 0.23 H new ATOM 727 N THR A 53 11.886 1.158 -8.381 1.00 0.15 N ATOM 728 CA THR A 53 12.994 2.030 -8.053 1.00 0.16 C ATOM 729 C THR A 53 12.660 2.907 -6.859 1.00 0.16 C ATOM 730 O THR A 53 11.733 3.719 -6.905 1.00 0.27 O ATOM 731 CB THR A 53 13.372 2.908 -9.248 1.00 0.21 C ATOM 732 OG1 THR A 53 12.391 2.763 -10.287 1.00 0.43 O ATOM 733 CG2 THR A 53 14.748 2.532 -9.771 1.00 0.40 C ATOM 0 H THR A 53 11.221 1.559 -9.042 1.00 0.15 H new ATOM 0 HA THR A 53 13.845 1.398 -7.798 1.00 0.16 H new ATOM 0 HB THR A 53 13.399 3.949 -8.924 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.636 3.328 -11.049 1.00 0.43 H new ATOM 0 HG21 THR A 53 15.000 3.167 -10.621 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.487 2.671 -8.982 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.745 1.488 -10.086 1.00 0.40 H new ATOM 741 N ALA A 54 13.426 2.745 -5.795 1.00 0.13 N ATOM 742 CA ALA A 54 13.159 3.440 -4.554 1.00 0.13 C ATOM 743 C ALA A 54 14.200 4.523 -4.304 1.00 0.14 C ATOM 744 O ALA A 54 15.362 4.375 -4.676 1.00 0.23 O ATOM 745 CB ALA A 54 13.110 2.449 -3.399 1.00 0.15 C ATOM 0 H ALA A 54 14.242 2.134 -5.769 1.00 0.13 H new ATOM 0 HA ALA A 54 12.187 3.928 -4.630 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.909 2.983 -2.470 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.319 1.721 -3.578 1.00 0.15 H new ATOM 0 HB3 ALA A 54 14.067 1.933 -3.321 1.00 0.15 H new ATOM 751 N ILE A 55 13.772 5.623 -3.704 1.00 0.17 N ATOM 752 CA ILE A 55 14.664 6.739 -3.409 1.00 0.18 C ATOM 753 C ILE A 55 14.877 6.869 -1.917 1.00 0.16 C ATOM 754 O ILE A 55 13.949 6.683 -1.130 1.00 0.14 O ATOM 755 CB ILE A 55 14.112 8.050 -3.967 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.079 7.965 -5.484 1.00 0.26 C ATOM 757 CG2 ILE A 55 14.948 9.234 -3.509 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.006 8.933 -6.178 1.00 0.33 C ATOM 0 H ILE A 55 12.806 5.769 -3.409 1.00 0.17 H new ATOM 0 HA ILE A 55 15.620 6.533 -3.890 1.00 0.18 H new ATOM 0 HB ILE A 55 13.101 8.203 -3.590 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.339 6.950 -5.786 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.060 8.147 -5.825 1.00 0.26 H new ATOM 0 HG21 ILE A 55 14.533 10.154 -3.921 1.00 0.23 H new ATOM 0 HG22 ILE A 55 14.938 9.287 -2.420 1.00 0.23 H new ATOM 0 HG23 ILE A 55 15.974 9.112 -3.857 1.00 0.23 H new ATOM 0 HD11 ILE A 55 14.922 8.807 -7.257 1.00 0.33 H new ATOM 0 HD12 ILE A 55 14.734 9.954 -5.909 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.033 8.738 -5.869 1.00 0.33 H new ATOM 770 N ALA A 56 16.106 7.190 -1.549 1.00 0.17 N ATOM 771 CA ALA A 56 16.497 7.288 -0.148 1.00 0.18 C ATOM 772 C ALA A 56 15.694 8.331 0.603 1.00 0.17 C ATOM 773 O ALA A 56 15.633 9.493 0.198 1.00 0.20 O ATOM 774 CB ALA A 56 17.968 7.595 -0.001 1.00 0.22 C ATOM 0 H ALA A 56 16.859 7.390 -2.207 1.00 0.17 H new ATOM 0 HA ALA A 56 16.288 6.311 0.288 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.222 7.660 1.057 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.553 6.802 -0.466 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.192 8.544 -0.487 1.00 0.22 H new ATOM 780 N GLU A 57 15.080 7.891 1.699 1.00 0.16 N ATOM 781 CA GLU A 57 14.306 8.750 2.576 1.00 0.18 C ATOM 782 C GLU A 57 13.145 9.366 1.810 1.00 0.19 C ATOM 783 O GLU A 57 12.605 10.409 2.178 1.00 0.28 O ATOM 784 CB GLU A 57 15.211 9.806 3.187 1.00 0.23 C ATOM 785 CG GLU A 57 16.333 9.204 4.024 1.00 0.27 C ATOM 786 CD GLU A 57 17.389 10.222 4.392 1.00 0.74 C ATOM 787 OE1 GLU A 57 18.287 10.483 3.563 1.00 1.33 O ATOM 788 OE2 GLU A 57 17.323 10.771 5.511 1.00 0.75 O ATOM 0 H GLU A 57 15.109 6.917 2.002 1.00 0.16 H new ATOM 0 HA GLU A 57 13.883 8.163 3.391 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.642 10.414 2.392 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.615 10.473 3.810 1.00 0.23 H new ATOM 0 HG2 GLU A 57 15.913 8.775 4.934 1.00 0.27 H new ATOM 0 HG3 GLU A 57 16.797 8.387 3.471 1.00 0.27 H new ATOM 795 N GLN A 58 12.773 8.680 0.743 1.00 0.16 N ATOM 796 CA GLN A 58 11.674 9.060 -0.096 1.00 0.18 C ATOM 797 C GLN A 58 10.616 7.996 -0.032 1.00 0.17 C ATOM 798 O GLN A 58 10.911 6.808 0.107 1.00 0.19 O ATOM 799 CB GLN A 58 12.120 9.231 -1.529 1.00 0.20 C ATOM 800 CG GLN A 58 11.983 10.651 -2.034 1.00 0.28 C ATOM 801 CD GLN A 58 11.071 11.505 -1.169 1.00 0.70 C ATOM 802 OE1 GLN A 58 9.854 11.525 -1.357 1.00 1.38 O ATOM 803 NE2 GLN A 58 11.657 12.227 -0.229 1.00 1.48 N ATOM 0 H GLN A 58 13.243 7.827 0.438 1.00 0.16 H new ATOM 0 HA GLN A 58 11.279 10.012 0.259 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.161 8.920 -1.618 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.534 8.568 -2.166 1.00 0.20 H new ATOM 0 HG2 GLN A 58 12.970 11.112 -2.077 1.00 0.28 H new ATOM 0 HG3 GLN A 58 11.595 10.632 -3.053 1.00 0.28 H new ATOM 0 HE21 GLN A 58 12.669 12.181 -0.107 1.00 1.48 H new ATOM 0 HE22 GLN A 58 11.097 12.830 0.374 1.00 1.48 H new ATOM 812 N ARG A 59 9.394 8.431 -0.113 1.00 0.16 N ATOM 813 CA ARG A 59 8.274 7.523 -0.140 1.00 0.17 C ATOM 814 C ARG A 59 8.084 6.959 -1.539 1.00 0.17 C ATOM 815 O ARG A 59 8.031 7.699 -2.525 1.00 0.22 O ATOM 816 CB ARG A 59 6.994 8.215 0.307 1.00 0.24 C ATOM 817 CG ARG A 59 6.808 8.277 1.814 1.00 0.30 C ATOM 818 CD ARG A 59 7.825 9.170 2.489 1.00 0.44 C ATOM 819 NE ARG A 59 7.692 10.569 2.080 1.00 1.37 N ATOM 820 CZ ARG A 59 8.600 11.511 2.328 1.00 1.72 C ATOM 821 NH1 ARG A 59 9.691 11.224 3.028 1.00 1.51 N ATOM 822 NH2 ARG A 59 8.406 12.746 1.889 1.00 2.72 N ATOM 0 H ARG A 59 9.141 9.418 -0.162 1.00 0.16 H new ATOM 0 HA ARG A 59 8.490 6.710 0.553 1.00 0.17 H new ATOM 0 HB2 ARG A 59 6.986 9.230 -0.090 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.142 7.695 -0.131 1.00 0.24 H new ATOM 0 HG2 ARG A 59 5.805 8.641 2.038 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.882 7.271 2.227 1.00 0.30 H new ATOM 0 HD2 ARG A 59 7.709 9.097 3.570 1.00 0.44 H new ATOM 0 HD3 ARG A 59 8.829 8.818 2.252 1.00 0.44 H new ATOM 0 HE ARG A 59 6.850 10.840 1.572 1.00 1.37 H new ATOM 0 HH11 ARG A 59 9.837 10.278 3.379 1.00 1.51 H new ATOM 0 HH12 ARG A 59 10.383 11.950 3.215 1.00 1.51 H new ATOM 0 HH21 ARG A 59 7.563 12.973 1.362 1.00 2.72 H new ATOM 0 HH22 ARG A 59 9.100 13.469 2.078 1.00 2.72 H new ATOM 836 N VAL A 60 8.004 5.650 -1.616 1.00 0.13 N ATOM 837 CA VAL A 60 7.757 4.956 -2.857 1.00 0.14 C ATOM 838 C VAL A 60 6.472 4.174 -2.718 1.00 0.13 C ATOM 839 O VAL A 60 6.425 3.179 -2.010 1.00 0.12 O ATOM 840 CB VAL A 60 8.928 4.003 -3.183 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.587 3.077 -4.342 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.169 4.815 -3.496 1.00 0.15 C ATOM 0 H VAL A 60 8.110 5.033 -0.811 1.00 0.13 H new ATOM 0 HA VAL A 60 7.670 5.675 -3.672 1.00 0.14 H new ATOM 0 HB VAL A 60 9.116 3.376 -2.311 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.433 2.420 -4.544 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.715 2.476 -4.083 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.368 3.671 -5.230 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.995 4.142 -3.726 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.976 5.459 -4.354 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.430 5.428 -2.633 1.00 0.15 H new ATOM 852 N THR A 61 5.430 4.598 -3.392 1.00 0.15 N ATOM 853 CA THR A 61 4.152 3.973 -3.171 1.00 0.15 C ATOM 854 C THR A 61 3.944 2.832 -4.139 1.00 0.16 C ATOM 855 O THR A 61 4.101 2.980 -5.353 1.00 0.19 O ATOM 856 CB THR A 61 2.990 4.967 -3.234 1.00 0.17 C ATOM 857 OG1 THR A 61 3.403 6.243 -2.719 1.00 0.19 O ATOM 858 CG2 THR A 61 1.834 4.436 -2.409 1.00 0.19 C ATOM 0 H THR A 61 5.440 5.352 -4.079 1.00 0.15 H new ATOM 0 HA THR A 61 4.163 3.574 -2.157 1.00 0.15 H new ATOM 0 HB THR A 61 2.678 5.090 -4.271 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.653 6.873 -2.765 1.00 0.19 H new ATOM 0 HG21 THR A 61 1.003 5.141 -2.451 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.514 3.474 -2.808 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.153 4.311 -1.374 1.00 0.19 H new ATOM 866 N VAL A 62 3.606 1.692 -3.579 1.00 0.15 N ATOM 867 CA VAL A 62 3.622 0.454 -4.303 1.00 0.15 C ATOM 868 C VAL A 62 2.275 -0.258 -4.252 1.00 0.15 C ATOM 869 O VAL A 62 1.633 -0.320 -3.204 1.00 0.16 O ATOM 870 CB VAL A 62 4.752 -0.446 -3.744 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.499 -1.930 -3.986 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.090 -0.016 -4.333 1.00 0.16 C ATOM 0 H VAL A 62 3.313 1.604 -2.606 1.00 0.15 H new ATOM 0 HA VAL A 62 3.815 0.670 -5.354 1.00 0.15 H new ATOM 0 HB VAL A 62 4.773 -0.315 -2.662 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.323 -2.512 -3.573 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.568 -2.224 -3.501 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.424 -2.116 -5.057 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.883 -0.651 -3.938 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.057 -0.110 -5.418 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.289 1.022 -4.065 1.00 0.16 H new ATOM 882 N GLY A 63 1.852 -0.775 -5.400 1.00 0.18 N ATOM 883 CA GLY A 63 0.614 -1.520 -5.472 1.00 0.21 C ATOM 884 C GLY A 63 -0.571 -0.632 -5.772 1.00 0.20 C ATOM 885 O GLY A 63 -1.478 -0.511 -4.958 1.00 0.28 O ATOM 0 H GLY A 63 2.350 -0.689 -6.286 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.697 -2.285 -6.244 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.448 -2.037 -4.527 1.00 0.21 H new ATOM 889 N ASN A 64 -0.560 -0.016 -6.944 1.00 0.33 N ATOM 890 CA ASN A 64 -1.612 0.907 -7.340 1.00 0.40 C ATOM 891 C ASN A 64 -2.870 0.147 -7.731 1.00 0.37 C ATOM 892 O ASN A 64 -2.911 -0.525 -8.764 1.00 0.52 O ATOM 893 CB ASN A 64 -1.136 1.775 -8.507 1.00 0.67 C ATOM 894 CG ASN A 64 -2.175 2.785 -8.957 1.00 1.31 C ATOM 895 OD1 ASN A 64 -2.981 2.517 -9.850 1.00 2.17 O ATOM 896 ND2 ASN A 64 -2.163 3.957 -8.346 1.00 1.98 N ATOM 0 H ASN A 64 0.173 -0.140 -7.643 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.847 1.550 -6.492 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -0.228 2.302 -8.214 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.874 1.132 -9.348 1.00 0.67 H new ATOM 0 HD21 ASN A 64 -2.836 4.676 -8.609 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -1.480 4.142 -7.611 1.00 1.98 H new ATOM 903 N VAL A 65 -3.878 0.244 -6.883 1.00 0.25 N ATOM 904 CA VAL A 65 -5.170 -0.387 -7.124 1.00 0.33 C ATOM 905 C VAL A 65 -6.293 0.616 -6.880 1.00 0.27 C ATOM 906 O VAL A 65 -6.387 1.182 -5.798 1.00 0.35 O ATOM 907 CB VAL A 65 -5.374 -1.598 -6.194 1.00 0.43 C ATOM 908 CG1 VAL A 65 -6.631 -2.365 -6.570 1.00 1.29 C ATOM 909 CG2 VAL A 65 -4.153 -2.503 -6.211 1.00 1.10 C ATOM 0 H VAL A 65 -3.827 0.762 -6.006 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.190 -0.726 -8.160 1.00 0.33 H new ATOM 0 HB VAL A 65 -5.502 -1.228 -5.177 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -6.753 -3.215 -5.899 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -7.497 -1.708 -6.485 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -6.546 -2.722 -7.596 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -4.320 -3.351 -5.547 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -3.982 -2.864 -7.225 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -3.281 -1.944 -5.873 1.00 1.10 H new ATOM 919 N VAL A 66 -7.136 0.853 -7.874 1.00 0.25 N ATOM 920 CA VAL A 66 -8.200 1.837 -7.724 1.00 0.23 C ATOM 921 C VAL A 66 -9.545 1.172 -7.458 1.00 0.24 C ATOM 922 O VAL A 66 -10.053 0.397 -8.271 1.00 0.27 O ATOM 923 CB VAL A 66 -8.305 2.764 -8.950 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.378 3.823 -8.736 1.00 0.30 C ATOM 925 CG2 VAL A 66 -6.964 3.417 -9.226 1.00 0.29 C ATOM 0 H VAL A 66 -7.107 0.386 -8.780 1.00 0.25 H new ATOM 0 HA VAL A 66 -7.937 2.446 -6.859 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.589 2.163 -9.814 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.435 4.466 -9.614 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.341 3.338 -8.579 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.127 4.424 -7.862 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.049 4.070 -10.094 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.660 4.004 -8.359 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.218 2.647 -9.423 1.00 0.29 H new ATOM 935 N LEU A 67 -10.108 1.490 -6.303 1.00 0.22 N ATOM 936 CA LEU A 67 -11.384 0.948 -5.871 1.00 0.23 C ATOM 937 C LEU A 67 -12.467 2.009 -6.015 1.00 0.24 C ATOM 938 O LEU A 67 -12.171 3.189 -6.219 1.00 0.26 O ATOM 939 CB LEU A 67 -11.340 0.535 -4.395 1.00 0.21 C ATOM 940 CG LEU A 67 -10.222 -0.412 -3.936 1.00 0.19 C ATOM 941 CD1 LEU A 67 -10.140 -1.637 -4.829 1.00 0.25 C ATOM 942 CD2 LEU A 67 -8.875 0.297 -3.861 1.00 0.18 C ATOM 0 H LEU A 67 -9.688 2.136 -5.635 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.597 0.078 -6.491 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.271 1.444 -3.798 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.293 0.065 -4.153 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.474 -0.743 -2.928 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.340 -2.289 -4.480 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -11.087 -2.175 -4.796 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.934 -1.327 -5.854 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.111 -0.407 -3.532 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.612 0.684 -4.845 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -8.937 1.122 -3.151 1.00 0.18 H new ATOM 954 N ASP A 68 -13.717 1.592 -5.912 1.00 0.26 N ATOM 955 CA ASP A 68 -14.817 2.531 -5.757 1.00 0.28 C ATOM 956 C ASP A 68 -14.819 3.072 -4.336 1.00 0.28 C ATOM 957 O ASP A 68 -14.778 2.304 -3.379 1.00 0.30 O ATOM 958 CB ASP A 68 -16.148 1.868 -6.066 1.00 0.32 C ATOM 959 CG ASP A 68 -16.383 1.683 -7.550 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.933 2.601 -8.193 1.00 1.25 O ATOM 961 OD2 ASP A 68 -16.008 0.623 -8.085 1.00 0.92 O ATOM 0 H ASP A 68 -13.996 0.611 -5.933 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.680 3.351 -6.462 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.188 0.897 -5.573 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.954 2.471 -5.648 1.00 0.32 H new ATOM 966 N TYR A 69 -14.861 4.384 -4.186 1.00 0.28 N ATOM 967 CA TYR A 69 -14.738 4.990 -2.867 1.00 0.27 C ATOM 968 C TYR A 69 -16.016 4.857 -2.053 1.00 0.27 C ATOM 969 O TYR A 69 -17.092 5.259 -2.491 1.00 0.30 O ATOM 970 CB TYR A 69 -14.353 6.462 -2.974 1.00 0.29 C ATOM 971 CG TYR A 69 -14.600 7.231 -1.702 1.00 0.28 C ATOM 972 CD1 TYR A 69 -13.973 6.869 -0.519 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.468 8.311 -1.687 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.212 7.567 0.655 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.710 9.012 -0.527 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.084 8.635 0.640 1.00 0.30 C ATOM 977 OH TYR A 69 -15.339 9.325 1.798 1.00 0.33 O ATOM 0 H TYR A 69 -14.978 5.047 -4.952 1.00 0.28 H new ATOM 0 HA TYR A 69 -13.947 4.447 -2.349 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.298 6.537 -3.238 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -14.918 6.921 -3.785 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.290 6.033 -0.512 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -15.963 8.608 -2.600 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.720 7.277 1.572 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.387 9.853 -0.532 1.00 0.32 H new ATOM 0 HH TYR A 69 -15.974 10.049 1.615 1.00 0.33 H new ATOM 987 N SER A 70 -15.887 4.267 -0.874 1.00 0.25 N ATOM 988 CA SER A 70 -16.968 4.261 0.095 1.00 0.27 C ATOM 989 C SER A 70 -16.388 4.380 1.500 1.00 0.29 C ATOM 990 O SER A 70 -15.507 3.609 1.884 1.00 0.28 O ATOM 991 CB SER A 70 -17.821 3.000 -0.062 1.00 0.30 C ATOM 992 OG SER A 70 -17.201 2.084 -0.952 1.00 0.99 O ATOM 0 H SER A 70 -15.042 3.786 -0.567 1.00 0.25 H new ATOM 0 HA SER A 70 -17.622 5.115 -0.079 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.966 2.529 0.910 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.809 3.267 -0.437 1.00 0.30 H new ATOM 0 HG SER A 70 -17.850 1.791 -1.625 1.00 0.99 H new ATOM 998 N SER A 71 -16.856 5.368 2.253 1.00 0.36 N ATOM 999 CA SER A 71 -16.341 5.620 3.591 1.00 0.42 C ATOM 1000 C SER A 71 -16.670 4.469 4.537 1.00 0.43 C ATOM 1001 O SER A 71 -15.963 4.240 5.520 1.00 0.50 O ATOM 1002 CB SER A 71 -16.900 6.928 4.129 1.00 0.50 C ATOM 1003 OG SER A 71 -18.316 6.934 4.112 1.00 0.54 O ATOM 0 H SER A 71 -17.593 6.008 1.958 1.00 0.36 H new ATOM 0 HA SER A 71 -15.256 5.698 3.528 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.547 7.084 5.148 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.525 7.758 3.531 1.00 0.50 H new ATOM 0 HG SER A 71 -18.644 7.787 4.465 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.728 3.739 4.215 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.169 2.620 5.033 1.00 0.43 C ATOM 1011 C ALA A 72 -17.627 1.298 4.502 1.00 0.40 C ATOM 1012 O ALA A 72 -17.959 0.227 5.014 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.682 2.580 5.080 1.00 0.47 C ATOM 0 H ALA A 72 -18.300 3.904 3.387 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.779 2.763 6.041 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -20.005 1.739 5.694 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.057 3.509 5.510 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.074 2.463 4.070 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.786 1.374 3.481 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.252 0.176 2.850 1.00 0.30 C ATOM 1021 C ASN A 73 -15.014 -0.307 3.586 1.00 0.33 C ATOM 1022 O ASN A 73 -14.306 0.484 4.214 1.00 0.47 O ATOM 1023 CB ASN A 73 -15.897 0.442 1.390 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.096 -0.787 0.524 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -15.815 -1.907 0.938 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.615 -0.586 -0.672 1.00 0.95 N ATOM 0 H ASN A 73 -16.459 2.250 3.073 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.023 -0.593 2.894 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.513 1.257 1.010 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -14.859 0.769 1.323 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -16.796 -1.378 -1.289 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -16.835 0.361 -0.980 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.759 -1.604 3.523 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.542 -2.156 4.075 1.00 0.35 C ATOM 1035 C ARG A 74 -12.512 -2.309 2.971 1.00 0.27 C ATOM 1036 O ARG A 74 -12.640 -3.163 2.096 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.804 -3.510 4.725 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.703 -3.456 5.949 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.118 -2.589 7.051 1.00 1.02 C ATOM 1040 NE ARG A 74 -14.838 -2.763 8.312 1.00 1.49 N ATOM 1041 CZ ARG A 74 -14.980 -1.814 9.238 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -14.487 -0.598 9.037 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -15.627 -2.083 10.363 1.00 2.50 N ATOM 0 H ARG A 74 -15.381 -2.290 3.095 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.167 -1.476 4.840 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.256 -4.172 3.987 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.850 -3.953 5.010 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.680 -3.067 5.663 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -14.860 -4.466 6.328 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -13.067 -2.841 7.194 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -14.157 -1.542 6.750 1.00 1.02 H new ATOM 0 HE ARG A 74 -15.261 -3.673 8.496 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -13.995 -0.384 8.169 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -14.600 0.122 9.750 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -16.015 -3.014 10.518 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -15.737 -1.359 11.073 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.506 -1.467 3.015 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.378 -1.567 2.119 1.00 0.14 C ATOM 1059 C TYR A 75 -9.121 -1.615 2.947 1.00 0.13 C ATOM 1060 O TYR A 75 -8.810 -0.666 3.661 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.308 -0.379 1.170 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.435 -0.312 0.179 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.763 -1.414 -0.587 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.166 0.855 0.004 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.788 -1.357 -1.500 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.197 0.916 -0.911 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.501 -0.196 -1.662 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.524 -0.152 -2.579 1.00 0.35 O ATOM 0 H TYR A 75 -11.447 -0.691 3.675 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.488 -2.469 1.516 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.300 0.540 1.757 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.364 -0.418 0.627 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.207 -2.332 -0.467 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -11.924 1.728 0.592 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -13.033 -2.227 -2.091 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.760 1.829 -1.037 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.899 0.753 -2.607 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.426 -2.719 2.880 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.203 -2.880 3.633 1.00 0.13 C ATOM 1080 C ALA A 76 -6.082 -3.280 2.715 1.00 0.12 C ATOM 1081 O ALA A 76 -6.309 -3.633 1.567 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.354 -3.893 4.744 1.00 0.16 C ATOM 0 H ALA A 76 -8.684 -3.525 2.311 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.970 -1.920 4.094 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.412 -3.983 5.285 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.136 -3.567 5.430 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.623 -4.860 4.320 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.878 -3.224 3.220 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.717 -3.492 2.417 1.00 0.13 C ATOM 1090 C ALA A 77 -2.672 -4.188 3.246 1.00 0.14 C ATOM 1091 O ALA A 77 -2.760 -4.204 4.466 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.174 -2.203 1.836 1.00 0.12 C ATOM 0 H ALA A 77 -4.676 -2.993 4.193 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.996 -4.146 1.591 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.294 -2.419 1.230 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.937 -1.734 1.214 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.899 -1.526 2.645 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.715 -4.783 2.580 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.617 -5.444 3.240 1.00 0.16 C ATOM 1100 C ARG A 78 0.569 -5.494 2.292 1.00 0.14 C ATOM 1101 O ARG A 78 0.446 -5.943 1.153 1.00 0.16 O ATOM 1102 CB ARG A 78 -1.043 -6.831 3.712 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.225 -7.832 2.603 1.00 0.56 C ATOM 1104 CD ARG A 78 0.019 -8.677 2.469 1.00 1.56 C ATOM 1105 NE ARG A 78 -0.241 -9.952 1.804 1.00 2.06 N ATOM 1106 CZ ARG A 78 -0.451 -11.101 2.447 1.00 2.77 C ATOM 1107 NH1 ARG A 78 -0.402 -11.148 3.774 1.00 3.25 N ATOM 1108 NH2 ARG A 78 -0.701 -12.207 1.761 1.00 3.35 N ATOM 0 H ARG A 78 -1.675 -4.823 1.562 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.318 -4.888 4.128 1.00 0.16 H new ATOM 0 HB2 ARG A 78 -0.296 -7.210 4.409 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.979 -6.743 4.264 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -2.086 -8.467 2.811 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.428 -7.316 1.665 1.00 0.56 H new ATOM 0 HD2 ARG A 78 0.771 -8.124 1.907 1.00 1.56 H new ATOM 0 HD3 ARG A 78 0.435 -8.865 3.459 1.00 1.56 H new ATOM 0 HE ARG A 78 -0.263 -9.964 0.784 1.00 2.06 H new ATOM 0 HH11 ARG A 78 -0.203 -10.302 4.307 1.00 3.25 H new ATOM 0 HH12 ARG A 78 -0.564 -12.030 4.259 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -0.733 -12.179 0.742 1.00 3.35 H new ATOM 0 HH22 ARG A 78 -0.862 -13.086 2.252 1.00 3.35 H new ATOM 1122 N LEU A 79 1.697 -4.990 2.734 1.00 0.17 N ATOM 1123 CA LEU A 79 2.865 -4.951 1.884 1.00 0.15 C ATOM 1124 C LEU A 79 4.045 -5.592 2.580 1.00 0.15 C ATOM 1125 O LEU A 79 4.396 -5.229 3.698 1.00 0.22 O ATOM 1126 CB LEU A 79 3.205 -3.514 1.482 1.00 0.16 C ATOM 1127 CG LEU A 79 3.836 -3.361 0.090 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.036 -1.896 -0.254 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.149 -4.131 -0.006 1.00 0.16 C ATOM 0 H LEU A 79 1.831 -4.604 3.669 1.00 0.17 H new ATOM 0 HA LEU A 79 2.641 -5.514 0.978 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.294 -2.917 1.519 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.889 -3.098 2.222 1.00 0.16 H new ATOM 0 HG LEU A 79 3.148 -3.788 -0.640 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.484 -1.813 -1.244 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.073 -1.386 -0.248 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.695 -1.436 0.482 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.573 -4.005 -1.002 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.849 -3.750 0.737 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.964 -5.189 0.178 1.00 0.16 H new ATOM 1141 N ASP A 80 4.642 -6.548 1.902 1.00 0.12 N ATOM 1142 CA ASP A 80 5.836 -7.205 2.380 1.00 0.12 C ATOM 1143 C ASP A 80 7.033 -6.714 1.583 1.00 0.11 C ATOM 1144 O ASP A 80 7.085 -6.875 0.371 1.00 0.15 O ATOM 1145 CB ASP A 80 5.700 -8.720 2.249 1.00 0.15 C ATOM 1146 CG ASP A 80 4.694 -9.311 3.216 1.00 1.16 C ATOM 1147 OD1 ASP A 80 3.486 -9.336 2.887 1.00 2.22 O ATOM 1148 OD2 ASP A 80 5.105 -9.770 4.302 1.00 1.06 O ATOM 0 H ASP A 80 4.311 -6.892 1.001 1.00 0.12 H new ATOM 0 HA ASP A 80 5.979 -6.965 3.434 1.00 0.12 H new ATOM 0 HB2 ASP A 80 5.403 -8.966 1.229 1.00 0.15 H new ATOM 0 HB3 ASP A 80 6.673 -9.182 2.418 1.00 0.15 H new ATOM 1153 N VAL A 81 7.976 -6.074 2.240 1.00 0.09 N ATOM 1154 CA VAL A 81 9.174 -5.635 1.550 1.00 0.10 C ATOM 1155 C VAL A 81 10.330 -6.543 1.924 1.00 0.12 C ATOM 1156 O VAL A 81 10.832 -6.494 3.043 1.00 0.13 O ATOM 1157 CB VAL A 81 9.544 -4.177 1.873 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.605 -3.684 0.909 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.318 -3.276 1.838 1.00 0.09 C ATOM 0 H VAL A 81 7.941 -5.848 3.234 1.00 0.09 H new ATOM 0 HA VAL A 81 8.971 -5.688 0.480 1.00 0.10 H new ATOM 0 HB VAL A 81 9.947 -4.142 2.885 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.860 -2.651 1.146 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.495 -4.307 0.998 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.224 -3.739 -0.111 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.612 -2.252 2.070 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.871 -3.309 0.844 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.592 -3.621 2.574 1.00 0.09 H new ATOM 1169 N SER A 82 10.731 -7.375 0.986 1.00 0.14 N ATOM 1170 CA SER A 82 11.805 -8.323 1.196 1.00 0.17 C ATOM 1171 C SER A 82 12.846 -8.175 0.092 1.00 0.20 C ATOM 1172 O SER A 82 12.604 -8.542 -1.059 1.00 0.25 O ATOM 1173 CB SER A 82 11.235 -9.742 1.222 1.00 0.21 C ATOM 1174 OG SER A 82 10.296 -9.937 0.176 1.00 0.82 O ATOM 0 H SER A 82 10.320 -7.413 0.053 1.00 0.14 H new ATOM 0 HA SER A 82 12.289 -8.126 2.152 1.00 0.17 H new ATOM 0 HB2 SER A 82 12.046 -10.464 1.126 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.756 -9.927 2.183 1.00 0.21 H new ATOM 0 HG SER A 82 10.659 -9.579 -0.661 1.00 0.82 H new ATOM 1180 N PHE A 83 13.997 -7.625 0.440 1.00 0.21 N ATOM 1181 CA PHE A 83 15.018 -7.308 -0.545 1.00 0.24 C ATOM 1182 C PHE A 83 16.398 -7.262 0.108 1.00 0.24 C ATOM 1183 O PHE A 83 16.832 -6.223 0.608 1.00 0.23 O ATOM 1184 CB PHE A 83 14.676 -5.968 -1.214 1.00 0.26 C ATOM 1185 CG PHE A 83 15.690 -5.493 -2.215 1.00 0.27 C ATOM 1186 CD1 PHE A 83 15.931 -6.212 -3.373 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.399 -4.325 -1.997 1.00 0.29 C ATOM 1188 CE1 PHE A 83 16.859 -5.773 -4.295 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.328 -3.881 -2.917 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.558 -4.607 -4.067 1.00 0.34 C ATOM 0 H PHE A 83 14.249 -7.388 1.400 1.00 0.21 H new ATOM 0 HA PHE A 83 15.042 -8.087 -1.307 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.710 -6.061 -1.711 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.565 -5.208 -0.440 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.387 -7.127 -3.557 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.224 -3.754 -1.097 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.038 -6.343 -5.195 1.00 0.34 H new ATOM 0 HE2 PHE A 83 17.874 -2.967 -2.736 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.285 -4.262 -4.788 1.00 0.34 H new ATOM 1200 N GLY A 84 17.078 -8.398 0.112 1.00 0.30 N ATOM 1201 CA GLY A 84 18.398 -8.469 0.703 1.00 0.34 C ATOM 1202 C GLY A 84 18.349 -8.463 2.217 1.00 0.34 C ATOM 1203 O GLY A 84 17.893 -9.427 2.836 1.00 0.41 O ATOM 0 H GLY A 84 16.738 -9.274 -0.284 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.899 -9.375 0.361 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.995 -7.625 0.357 1.00 0.34 H new ATOM 1207 N SER A 85 18.789 -7.367 2.814 1.00 0.32 N ATOM 1208 CA SER A 85 18.839 -7.261 4.262 1.00 0.36 C ATOM 1209 C SER A 85 17.506 -6.798 4.838 1.00 0.31 C ATOM 1210 O SER A 85 17.274 -6.889 6.045 1.00 0.35 O ATOM 1211 CB SER A 85 19.946 -6.309 4.667 1.00 0.43 C ATOM 1212 OG SER A 85 19.813 -5.059 4.014 1.00 0.42 O ATOM 0 H SER A 85 19.117 -6.538 2.318 1.00 0.32 H new ATOM 0 HA SER A 85 19.045 -8.252 4.667 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.925 -6.162 5.747 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.914 -6.748 4.424 1.00 0.43 H new ATOM 0 HG SER A 85 20.539 -4.464 4.295 1.00 0.42 H new ATOM 1218 N VAL A 86 16.623 -6.312 3.977 1.00 0.24 N ATOM 1219 CA VAL A 86 15.329 -5.835 4.430 1.00 0.20 C ATOM 1220 C VAL A 86 14.249 -6.895 4.245 1.00 0.17 C ATOM 1221 O VAL A 86 14.172 -7.550 3.205 1.00 0.18 O ATOM 1222 CB VAL A 86 14.894 -4.534 3.709 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.679 -4.758 2.218 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.635 -3.980 4.351 1.00 0.19 C ATOM 0 H VAL A 86 16.778 -6.239 2.972 1.00 0.24 H new ATOM 0 HA VAL A 86 15.444 -5.617 5.492 1.00 0.20 H new ATOM 0 HB VAL A 86 15.700 -3.808 3.815 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.375 -3.822 1.750 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.607 -5.106 1.765 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.901 -5.507 2.071 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.337 -3.066 3.838 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.834 -4.716 4.276 1.00 0.19 H new ATOM 0 HG23 VAL A 86 13.828 -3.760 5.401 1.00 0.19 H new ATOM 1234 N THR A 87 13.451 -7.090 5.281 1.00 0.17 N ATOM 1235 CA THR A 87 12.221 -7.852 5.175 1.00 0.17 C ATOM 1236 C THR A 87 11.233 -7.344 6.216 1.00 0.15 C ATOM 1237 O THR A 87 11.473 -7.442 7.418 1.00 0.18 O ATOM 1238 CB THR A 87 12.451 -9.362 5.371 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.524 -9.814 4.531 1.00 0.25 O ATOM 1240 CG2 THR A 87 11.188 -10.125 5.025 1.00 0.23 C ATOM 0 H THR A 87 13.637 -6.726 6.215 1.00 0.17 H new ATOM 0 HA THR A 87 11.825 -7.714 4.169 1.00 0.17 H new ATOM 0 HB THR A 87 12.712 -9.542 6.414 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.662 -10.775 4.665 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.358 -11.192 5.166 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.376 -9.798 5.674 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.921 -9.934 3.986 1.00 0.23 H new ATOM 1248 N ILE A 88 10.118 -6.810 5.739 1.00 0.12 N ATOM 1249 CA ILE A 88 9.155 -6.112 6.587 1.00 0.11 C ATOM 1250 C ILE A 88 7.756 -6.259 6.020 1.00 0.10 C ATOM 1251 O ILE A 88 7.591 -6.715 4.887 1.00 0.11 O ATOM 1252 CB ILE A 88 9.458 -4.617 6.695 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.238 -3.963 5.344 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.874 -4.379 7.192 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.561 -2.494 5.328 1.00 0.09 C ATOM 0 H ILE A 88 9.853 -6.847 4.755 1.00 0.12 H new ATOM 0 HA ILE A 88 9.228 -6.563 7.577 1.00 0.11 H new ATOM 0 HB ILE A 88 8.782 -4.169 7.423 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.852 -4.470 4.600 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.198 -4.101 5.047 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.061 -3.307 7.259 1.00 0.14 H new ATOM 0 HG22 ILE A 88 10.995 -4.830 8.177 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.584 -4.828 6.497 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.381 -2.093 4.331 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.929 -1.975 6.048 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.608 -2.349 5.593 1.00 0.09 H new ATOM 1267 N GLN A 89 6.758 -5.892 6.802 1.00 0.11 N ATOM 1268 CA GLN A 89 5.385 -5.917 6.331 1.00 0.14 C ATOM 1269 C GLN A 89 4.547 -4.849 7.036 1.00 0.14 C ATOM 1270 O GLN A 89 4.892 -4.390 8.125 1.00 0.20 O ATOM 1271 CB GLN A 89 4.762 -7.298 6.555 1.00 0.22 C ATOM 1272 CG GLN A 89 4.786 -7.745 8.008 1.00 0.68 C ATOM 1273 CD GLN A 89 4.134 -9.097 8.218 1.00 1.04 C ATOM 1274 OE1 GLN A 89 4.137 -9.950 7.331 1.00 1.53 O ATOM 1275 NE2 GLN A 89 3.563 -9.302 9.393 1.00 1.88 N ATOM 0 H GLN A 89 6.871 -5.574 7.764 1.00 0.11 H new ATOM 0 HA GLN A 89 5.395 -5.703 5.262 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.730 -7.284 6.204 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.294 -8.031 5.949 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.819 -7.788 8.353 1.00 0.68 H new ATOM 0 HG3 GLN A 89 4.276 -7.002 8.620 1.00 0.68 H new ATOM 0 HE21 GLN A 89 3.581 -8.570 10.103 1.00 1.88 H new ATOM 0 HE22 GLN A 89 3.104 -10.192 9.589 1.00 1.88 H new ATOM 1284 N CYS A 90 3.457 -4.458 6.396 1.00 0.20 N ATOM 1285 CA CYS A 90 2.521 -3.487 6.952 1.00 0.21 C ATOM 1286 C CYS A 90 1.118 -3.770 6.439 1.00 0.23 C ATOM 1287 O CYS A 90 0.958 -4.440 5.423 1.00 0.31 O ATOM 1288 CB CYS A 90 2.942 -2.066 6.581 1.00 0.22 C ATOM 1289 SG CYS A 90 3.749 -1.939 4.954 1.00 0.97 S ATOM 0 H CYS A 90 3.193 -4.804 5.474 1.00 0.20 H new ATOM 0 HA CYS A 90 2.527 -3.576 8.038 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.062 -1.422 6.591 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.622 -1.688 7.344 1.00 0.22 H new ATOM 1294 N ASN A 91 0.108 -3.262 7.135 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.280 -3.523 6.763 1.00 0.18 C ATOM 1296 C ASN A 91 -2.161 -2.292 6.990 1.00 0.16 C ATOM 1297 O ASN A 91 -2.076 -1.633 8.027 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.829 -4.736 7.532 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.820 -4.557 9.039 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -0.809 -4.804 9.698 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -2.953 -4.162 9.603 1.00 1.82 N ATOM 0 H ASN A 91 0.222 -2.669 7.957 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.301 -3.752 5.698 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.850 -4.931 7.204 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.238 -5.615 7.276 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -3.008 -4.053 10.616 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -3.770 -3.967 9.024 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.999 -1.986 5.997 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.842 -0.789 6.023 1.00 0.13 C ATOM 1310 C LEU A 92 -5.033 -0.948 6.961 1.00 0.14 C ATOM 1311 O LEU A 92 -5.671 -2.000 7.002 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.348 -0.424 4.616 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.598 0.466 4.577 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.316 1.858 5.130 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.126 0.581 3.166 1.00 0.12 C ATOM 0 H LEU A 92 -3.112 -2.556 5.159 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.212 0.018 6.396 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.545 0.082 4.080 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.562 -1.346 4.075 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.350 -0.008 5.208 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.225 2.458 5.086 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -4.984 1.778 6.165 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.537 2.335 4.535 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.012 1.216 3.160 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.361 1.020 2.526 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.387 -0.410 2.793 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.320 0.109 7.712 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.545 0.203 8.497 1.00 0.19 C ATOM 1329 C ASP A 93 -7.662 0.744 7.618 1.00 0.17 C ATOM 1330 O ASP A 93 -7.632 1.901 7.220 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.337 1.133 9.686 1.00 0.26 C ATOM 1332 CG ASP A 93 -7.509 1.118 10.646 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -8.483 1.868 10.415 1.00 2.13 O ATOM 1334 OD2 ASP A 93 -7.466 0.363 11.633 1.00 1.02 O ATOM 0 H ASP A 93 -4.711 0.923 7.794 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.811 -0.787 8.866 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.432 0.840 10.218 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -6.180 2.149 9.325 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.663 -0.076 7.295 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.723 0.313 6.358 1.00 0.19 C ATOM 1341 C PRO A 94 -10.534 1.521 6.834 1.00 0.23 C ATOM 1342 O PRO A 94 -11.259 2.145 6.055 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.614 -0.929 6.277 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.284 -1.729 7.490 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.844 -1.446 7.798 1.00 0.21 C ATOM 0 HA PRO A 94 -9.306 0.620 5.399 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.669 -0.656 6.261 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.418 -1.495 5.367 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.924 -1.449 8.327 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.442 -2.792 7.310 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.638 -1.514 8.866 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.178 -2.151 7.299 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.399 1.862 8.106 1.00 0.26 N ATOM 1354 CA GLU A 95 -11.111 2.995 8.663 1.00 0.34 C ATOM 1355 C GLU A 95 -10.316 4.279 8.462 1.00 0.32 C ATOM 1356 O GLU A 95 -10.741 5.357 8.868 1.00 0.46 O ATOM 1357 CB GLU A 95 -11.405 2.754 10.139 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.173 1.483 10.375 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.450 1.214 11.838 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -11.544 0.723 12.541 1.00 1.42 O ATOM 1361 OE2 GLU A 95 -13.583 1.484 12.288 1.00 1.21 O ATOM 0 H GLU A 95 -9.802 1.369 8.770 1.00 0.26 H new ATOM 0 HA GLU A 95 -12.060 3.107 8.140 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.466 2.715 10.691 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -11.973 3.596 10.535 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.119 1.533 9.836 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -11.613 0.646 9.958 1.00 0.69 H new ATOM 1368 N THR A 96 -9.168 4.163 7.810 1.00 0.23 N ATOM 1369 CA THR A 96 -8.356 5.320 7.507 1.00 0.24 C ATOM 1370 C THR A 96 -8.556 5.768 6.061 1.00 0.23 C ATOM 1371 O THR A 96 -8.075 6.823 5.647 1.00 0.30 O ATOM 1372 CB THR A 96 -6.876 5.040 7.771 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.372 4.069 6.856 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.675 4.550 9.195 1.00 0.31 C ATOM 0 H THR A 96 -8.783 3.277 7.483 1.00 0.23 H new ATOM 0 HA THR A 96 -8.677 6.126 8.167 1.00 0.24 H new ATOM 0 HB THR A 96 -6.328 5.972 7.631 1.00 0.25 H new ATOM 0 HG1 THR A 96 -6.664 3.176 7.133 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.616 4.355 9.367 1.00 0.31 H new ATOM 0 HG22 THR A 96 -7.022 5.311 9.894 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.242 3.632 9.347 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.278 4.944 5.307 1.00 0.20 N ATOM 1383 CA VAL A 97 -9.749 5.288 3.954 1.00 0.23 C ATOM 1384 C VAL A 97 -10.548 6.601 3.949 1.00 0.29 C ATOM 1385 O VAL A 97 -10.835 7.168 2.898 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.634 4.147 3.383 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.272 4.526 2.049 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -9.821 2.870 3.233 1.00 0.51 C ATOM 0 H VAL A 97 -9.558 4.012 5.612 1.00 0.20 H new ATOM 0 HA VAL A 97 -8.867 5.419 3.327 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.442 3.978 4.095 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -11.881 3.697 1.689 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -11.900 5.407 2.183 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.491 4.745 1.321 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.455 2.080 2.832 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -8.988 3.047 2.553 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.436 2.567 4.207 1.00 0.51 H new ATOM 1398 N LYS A 98 -10.887 7.093 5.131 1.00 0.29 N ATOM 1399 CA LYS A 98 -11.718 8.279 5.257 1.00 0.38 C ATOM 1400 C LYS A 98 -10.995 9.535 4.786 1.00 0.40 C ATOM 1401 O LYS A 98 -10.426 10.280 5.587 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.207 8.461 6.690 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.531 7.772 7.002 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.363 6.331 7.464 1.00 0.53 C ATOM 1405 CE LYS A 98 -12.941 5.406 6.345 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.457 4.025 6.546 1.00 2.40 N ATOM 0 H LYS A 98 -10.597 6.686 6.020 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.582 8.127 4.610 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -11.445 8.081 7.371 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -12.311 9.527 6.892 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.053 8.336 7.775 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.161 7.791 6.113 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -12.620 6.293 8.261 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -14.303 5.977 7.887 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -13.305 5.795 5.394 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.853 5.382 6.284 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -12.719 3.338 6.290 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -13.720 3.894 7.544 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -14.293 3.876 5.945 1.00 2.40 H new