USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 915 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 59 LYS NZ :NH3+ 159:sc= 0.133 (180deg=0) USER MOD Set 1.2: A 108 THR OG1 : rot -26:sc= 0.473 USER MOD Set 2.1: A 104 SER OG : rot -167:sc= 2.31 USER MOD Set 2.2: A 111 GLN : amide:sc= 2.11 K(o=5.6,f=0.01) USER MOD Set 2.3: A 113 TYR OH : rot 17:sc= 1.21 USER MOD Set 3.1: A 80 HIS : no HD1:sc= -1.08 K(o=-0.44,f=-7.2!) USER MOD Set 3.2: A 129 HIS : no HD1:sc= -0.706 K(o=-0.44,f=-3.9) USER MOD Set 3.3: A 145 SER OG : rot 91:sc= 1.34 USER MOD Set 4.1: A 71 ASN : amide:sc= 0.276 K(o=0.41,f=-0.57) USER MOD Set 4.2: A 75 GLN : amide:sc= 0.138 K(o=0.41,f=-0.4) USER MOD Set 5.1: A 66 GLN : amide:sc= -2.78 K(o=-3,f=-9.2!) USER MOD Set 5.2: A 70 SER OG : rot -162:sc= -0.188! USER MOD Set 6.1: A 4 THR OG1 : rot 6:sc= 1.19 USER MOD Set 6.2: A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.00527 (180deg=0) USER MOD Single : A 2 SER OG : rot -54:sc= 0.0022 USER MOD Single : A 41 SER OG : rot -120:sc= 1.29 USER MOD Single : A 44 GLN : amide:sc= 1.84 K(o=1.8,f=-3.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= 1 (180deg=0.943) USER MOD Single : A 61 THR OG1 : rot 157:sc= 1.29 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.208 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 27:sc= 0.862 USER MOD Single : A 89 ASN : amide:sc= -0.887 K(o=-0.89,f=-0.33) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -154:sc= -0.152 (180deg=-1.19) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.0713 X(o=-0.071,f=-0.071) USER MOD Single : A 115 ASN : amide:sc= -0.237 K(o=-0.24,f=-3.5!) USER MOD Single : A 122 CYS SG : rot 163:sc= -2.23! USER MOD Single : A 127 GLN : amide:sc= 0.659 K(o=0.66,f=-0.085) USER MOD Single : A 128 MET CE :methyl 174:sc= -1.41 (180deg=-1.42) USER MOD Single : A 130 GLN : amide:sc= 0.0463 X(o=0.046,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -151:sc= 0.558 (180deg=-0.365) USER MOD Single : A 144 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.176 -12.360 -8.084 1.00 16.93 N ATOM 2 CA GLY A 1 -16.085 -12.243 -9.547 1.00 16.52 C ATOM 3 C GLY A 1 -15.150 -11.123 -9.947 1.00 15.08 C ATOM 4 O GLY A 1 -14.062 -11.005 -9.387 1.00 15.03 O ATOM 0 H1 GLY A 1 -16.091 -13.360 -7.810 1.00 16.93 H new ATOM 0 H2 GLY A 1 -15.408 -11.814 -7.644 1.00 16.93 H new ATOM 0 H3 GLY A 1 -17.093 -11.989 -7.762 1.00 16.93 H new ATOM 0 HA2 GLY A 1 -15.732 -13.184 -9.969 1.00 16.52 H new ATOM 0 HA3 GLY A 1 -17.076 -12.060 -9.963 1.00 16.52 H new ATOM 10 N SER A 2 -15.570 -10.293 -10.907 1.00 14.23 N ATOM 11 CA SER A 2 -14.878 -9.070 -11.354 1.00 13.01 C ATOM 12 C SER A 2 -13.401 -9.260 -11.757 1.00 12.41 C ATOM 13 O SER A 2 -12.548 -8.416 -11.460 1.00 11.99 O ATOM 14 CB SER A 2 -15.083 -7.962 -10.311 1.00 12.77 C ATOM 15 OG SER A 2 -14.960 -6.682 -10.900 1.00 12.71 O ATOM 0 H SER A 2 -16.437 -10.458 -11.418 1.00 14.23 H new ATOM 0 HA SER A 2 -15.340 -8.769 -12.294 1.00 13.01 H new ATOM 0 HB2 SER A 2 -16.068 -8.064 -9.856 1.00 12.77 H new ATOM 0 HB3 SER A 2 -14.350 -8.070 -9.511 1.00 12.77 H new ATOM 0 HG SER A 2 -14.104 -6.621 -11.374 1.00 12.71 H new ATOM 21 N PHE A 3 -13.076 -10.401 -12.377 1.00 12.69 N ATOM 22 CA PHE A 3 -11.703 -10.844 -12.660 1.00 12.49 C ATOM 23 C PHE A 3 -11.698 -11.954 -13.726 1.00 12.67 C ATOM 24 O PHE A 3 -12.545 -12.844 -13.669 1.00 13.15 O ATOM 25 CB PHE A 3 -11.110 -11.376 -11.344 1.00 12.97 C ATOM 26 CG PHE A 3 -9.603 -11.423 -11.282 1.00 14.11 C ATOM 27 CD1 PHE A 3 -8.889 -10.231 -11.063 1.00 13.96 C ATOM 28 CD2 PHE A 3 -8.919 -12.650 -11.347 1.00 15.62 C ATOM 29 CE1 PHE A 3 -7.498 -10.269 -10.878 1.00 15.28 C ATOM 30 CE2 PHE A 3 -7.523 -12.684 -11.183 1.00 16.92 C ATOM 31 CZ PHE A 3 -6.815 -11.498 -10.926 1.00 16.74 C ATOM 0 H PHE A 3 -13.781 -11.061 -12.706 1.00 12.69 H new ATOM 0 HA PHE A 3 -11.112 -10.013 -13.045 1.00 12.49 H new ATOM 0 HB2 PHE A 3 -11.471 -10.753 -10.525 1.00 12.97 H new ATOM 0 HB3 PHE A 3 -11.495 -12.381 -11.173 1.00 12.97 H new ATOM 0 HD1 PHE A 3 -9.411 -9.286 -11.037 1.00 13.96 H new ATOM 0 HD2 PHE A 3 -9.465 -13.565 -11.523 1.00 15.62 H new ATOM 0 HE1 PHE A 3 -6.952 -9.355 -10.699 1.00 15.28 H new ATOM 0 HE2 PHE A 3 -6.994 -13.623 -11.255 1.00 16.92 H new ATOM 0 HZ PHE A 3 -5.747 -11.530 -10.765 1.00 16.74 H new ATOM 41 N THR A 4 -10.755 -11.952 -14.678 1.00 12.60 N ATOM 42 CA THR A 4 -10.648 -12.847 -15.872 1.00 13.04 C ATOM 43 C THR A 4 -11.753 -12.790 -16.933 1.00 12.08 C ATOM 44 O THR A 4 -11.619 -13.338 -18.032 1.00 12.63 O ATOM 45 CB THR A 4 -10.319 -14.318 -15.537 1.00 14.23 C ATOM 46 OG1 THR A 4 -11.275 -14.926 -14.695 1.00 13.93 O ATOM 47 CG2 THR A 4 -8.952 -14.480 -14.877 1.00 15.69 C ATOM 0 H THR A 4 -9.986 -11.283 -14.645 1.00 12.60 H new ATOM 0 HA THR A 4 -9.789 -12.377 -16.351 1.00 13.04 H new ATOM 0 HB THR A 4 -10.325 -14.815 -16.507 1.00 14.23 H new ATOM 0 HG1 THR A 4 -12.029 -14.314 -14.561 1.00 13.93 H new ATOM 0 HG21 THR A 4 -8.774 -15.534 -14.664 1.00 15.69 H new ATOM 0 HG22 THR A 4 -8.178 -14.109 -15.549 1.00 15.69 H new ATOM 0 HG23 THR A 4 -8.928 -13.912 -13.947 1.00 15.69 H new ATOM 55 N MET A 5 -12.836 -12.113 -16.608 1.00 10.99 N ATOM 56 CA MET A 5 -14.015 -11.850 -17.437 1.00 10.29 C ATOM 57 C MET A 5 -14.799 -10.687 -16.819 1.00 8.71 C ATOM 58 O MET A 5 -14.807 -10.526 -15.596 1.00 8.39 O ATOM 59 CB MET A 5 -14.871 -13.121 -17.652 1.00 11.50 C ATOM 60 CG MET A 5 -14.735 -14.261 -16.635 1.00 12.56 C ATOM 61 SD MET A 5 -15.349 -13.921 -14.966 1.00 12.12 S ATOM 62 CE MET A 5 -14.898 -15.503 -14.212 1.00 14.10 C ATOM 0 H MET A 5 -12.930 -11.694 -15.683 1.00 10.99 H new ATOM 0 HA MET A 5 -13.701 -11.558 -18.439 1.00 10.29 H new ATOM 0 HB2 MET A 5 -15.918 -12.818 -17.676 1.00 11.50 H new ATOM 0 HB3 MET A 5 -14.632 -13.522 -18.637 1.00 11.50 H new ATOM 0 HG2 MET A 5 -15.263 -15.132 -17.024 1.00 12.56 H new ATOM 0 HG3 MET A 5 -13.682 -14.533 -16.564 1.00 12.56 H new ATOM 0 HE1 MET A 5 -15.194 -15.504 -13.163 1.00 14.10 H new ATOM 0 HE2 MET A 5 -15.408 -16.313 -14.733 1.00 14.10 H new ATOM 0 HE3 MET A 5 -13.820 -15.647 -14.285 1.00 14.10 H new ATOM 72 N GLY A 35 -15.338 -9.791 -17.653 1.00 8.25 N ATOM 73 CA GLY A 35 -15.787 -8.445 -17.256 1.00 7.48 C ATOM 74 C GLY A 35 -14.643 -7.472 -16.901 1.00 6.16 C ATOM 75 O GLY A 35 -14.754 -6.266 -17.144 1.00 6.20 O ATOM 0 H GLY A 35 -15.479 -9.982 -18.645 1.00 8.25 H new ATOM 0 HA2 GLY A 35 -16.374 -8.016 -18.068 1.00 7.48 H new ATOM 0 HA3 GLY A 35 -16.451 -8.535 -16.396 1.00 7.48 H new ATOM 79 N ALA A 36 -13.518 -8.002 -16.412 1.00 5.63 N ATOM 80 CA ALA A 36 -12.265 -7.321 -16.091 1.00 5.06 C ATOM 81 C ALA A 36 -11.035 -8.162 -16.506 1.00 4.30 C ATOM 82 O ALA A 36 -11.159 -9.321 -16.921 1.00 4.74 O ATOM 83 CB ALA A 36 -12.261 -7.036 -14.584 1.00 6.14 C ATOM 0 H ALA A 36 -13.458 -9.001 -16.215 1.00 5.63 H new ATOM 0 HA ALA A 36 -12.198 -6.388 -16.651 1.00 5.06 H new ATOM 0 HB1 ALA A 36 -11.336 -6.527 -14.312 1.00 6.14 H new ATOM 0 HB2 ALA A 36 -13.111 -6.403 -14.331 1.00 6.14 H new ATOM 0 HB3 ALA A 36 -12.332 -7.975 -14.036 1.00 6.14 H new ATOM 89 N GLY A 37 -9.841 -7.573 -16.383 1.00 3.92 N ATOM 90 CA GLY A 37 -8.564 -8.154 -16.815 1.00 3.57 C ATOM 91 C GLY A 37 -8.140 -9.457 -16.117 1.00 3.37 C ATOM 92 O GLY A 37 -8.721 -9.893 -15.119 1.00 4.32 O ATOM 0 H GLY A 37 -9.733 -6.648 -15.966 1.00 3.92 H new ATOM 0 HA2 GLY A 37 -8.618 -8.342 -17.887 1.00 3.57 H new ATOM 0 HA3 GLY A 37 -7.780 -7.412 -16.661 1.00 3.57 H new ATOM 96 N GLY A 38 -7.102 -10.082 -16.672 1.00 3.03 N ATOM 97 CA GLY A 38 -6.564 -11.381 -16.269 1.00 3.41 C ATOM 98 C GLY A 38 -5.410 -11.825 -17.177 1.00 2.65 C ATOM 99 O GLY A 38 -5.504 -11.682 -18.398 1.00 3.09 O ATOM 0 H GLY A 38 -6.588 -9.676 -17.454 1.00 3.03 H new ATOM 0 HA2 GLY A 38 -6.215 -11.326 -15.238 1.00 3.41 H new ATOM 0 HA3 GLY A 38 -7.357 -12.128 -16.298 1.00 3.41 H new ATOM 103 N GLY A 39 -4.334 -12.375 -16.605 1.00 2.75 N ATOM 104 CA GLY A 39 -3.187 -12.922 -17.353 1.00 2.51 C ATOM 105 C GLY A 39 -2.085 -11.914 -17.716 1.00 2.35 C ATOM 106 O GLY A 39 -1.282 -12.176 -18.613 1.00 2.91 O ATOM 0 H GLY A 39 -4.230 -12.456 -15.594 1.00 2.75 H new ATOM 0 HA2 GLY A 39 -2.741 -13.723 -16.763 1.00 2.51 H new ATOM 0 HA3 GLY A 39 -3.559 -13.373 -18.273 1.00 2.51 H new ATOM 110 N GLY A 40 -2.040 -10.760 -17.043 1.00 2.00 N ATOM 111 CA GLY A 40 -1.088 -9.672 -17.284 1.00 2.00 C ATOM 112 C GLY A 40 -1.696 -8.477 -18.024 1.00 2.11 C ATOM 113 O GLY A 40 -2.905 -8.411 -18.253 1.00 3.36 O ATOM 0 H GLY A 40 -2.691 -10.550 -16.286 1.00 2.00 H new ATOM 0 HA2 GLY A 40 -0.689 -9.332 -16.329 1.00 2.00 H new ATOM 0 HA3 GLY A 40 -0.248 -10.057 -17.862 1.00 2.00 H new ATOM 117 N SER A 41 -0.827 -7.535 -18.385 1.00 1.28 N ATOM 118 CA SER A 41 -1.122 -6.181 -18.871 1.00 1.19 C ATOM 119 C SER A 41 -1.748 -5.266 -17.805 1.00 0.97 C ATOM 120 O SER A 41 -2.192 -5.696 -16.741 1.00 0.83 O ATOM 121 CB SER A 41 -1.959 -6.262 -20.146 1.00 1.50 C ATOM 122 OG SER A 41 -2.025 -5.033 -20.842 1.00 2.39 O ATOM 0 H SER A 41 0.178 -7.707 -18.344 1.00 1.28 H new ATOM 0 HA SER A 41 -0.172 -5.702 -19.109 1.00 1.19 H new ATOM 0 HB2 SER A 41 -1.538 -7.023 -20.803 1.00 1.50 H new ATOM 0 HB3 SER A 41 -2.969 -6.584 -19.891 1.00 1.50 H new ATOM 0 HG SER A 41 -2.959 -4.744 -20.907 1.00 2.39 H new ATOM 128 N ALA A 42 -1.798 -3.970 -18.090 1.00 0.97 N ATOM 129 CA ALA A 42 -2.277 -2.915 -17.196 1.00 0.86 C ATOM 130 C ALA A 42 -3.692 -3.167 -16.624 1.00 0.67 C ATOM 131 O ALA A 42 -3.975 -2.865 -15.459 1.00 0.60 O ATOM 132 CB ALA A 42 -2.251 -1.636 -18.031 1.00 1.12 C ATOM 0 H ALA A 42 -1.492 -3.606 -18.992 1.00 0.97 H new ATOM 0 HA ALA A 42 -1.638 -2.863 -16.314 1.00 0.86 H new ATOM 0 HB1 ALA A 42 -2.598 -0.799 -17.425 1.00 1.12 H new ATOM 0 HB2 ALA A 42 -1.233 -1.442 -18.368 1.00 1.12 H new ATOM 0 HB3 ALA A 42 -2.903 -1.753 -18.896 1.00 1.12 H new ATOM 138 N GLU A 43 -4.584 -3.749 -17.428 1.00 0.69 N ATOM 139 CA GLU A 43 -5.942 -4.124 -17.018 1.00 0.62 C ATOM 140 C GLU A 43 -5.996 -5.287 -16.007 1.00 0.53 C ATOM 141 O GLU A 43 -6.984 -5.389 -15.281 1.00 0.53 O ATOM 142 CB GLU A 43 -6.825 -4.411 -18.246 1.00 0.79 C ATOM 143 CG GLU A 43 -6.213 -5.391 -19.258 1.00 0.87 C ATOM 144 CD GLU A 43 -5.570 -4.650 -20.431 1.00 1.41 C ATOM 145 OE1 GLU A 43 -4.408 -4.195 -20.307 1.00 2.74 O ATOM 146 OE2 GLU A 43 -6.244 -4.500 -21.479 1.00 2.19 O ATOM 0 H GLU A 43 -4.381 -3.978 -18.401 1.00 0.69 H new ATOM 0 HA GLU A 43 -6.342 -3.260 -16.487 1.00 0.62 H new ATOM 0 HB2 GLU A 43 -7.780 -4.810 -17.905 1.00 0.79 H new ATOM 0 HB3 GLU A 43 -7.036 -3.470 -18.753 1.00 0.79 H new ATOM 0 HG2 GLU A 43 -5.465 -6.009 -18.762 1.00 0.87 H new ATOM 0 HG3 GLU A 43 -6.986 -6.063 -19.630 1.00 0.87 H new ATOM 153 N GLN A 44 -4.961 -6.135 -15.909 1.00 0.52 N ATOM 154 CA GLN A 44 -4.839 -7.148 -14.850 1.00 0.50 C ATOM 155 C GLN A 44 -4.520 -6.497 -13.508 1.00 0.42 C ATOM 156 O GLN A 44 -5.199 -6.780 -12.523 1.00 0.46 O ATOM 157 CB GLN A 44 -3.744 -8.166 -15.206 1.00 0.56 C ATOM 158 CG GLN A 44 -3.260 -9.098 -14.075 1.00 0.66 C ATOM 159 CD GLN A 44 -4.306 -10.108 -13.625 1.00 0.81 C ATOM 160 OE1 GLN A 44 -4.219 -11.297 -13.900 1.00 1.20 O ATOM 161 NE2 GLN A 44 -5.336 -9.666 -12.942 1.00 0.85 N ATOM 0 H GLN A 44 -4.181 -6.137 -16.566 1.00 0.52 H new ATOM 0 HA GLN A 44 -5.795 -7.665 -14.768 1.00 0.50 H new ATOM 0 HB2 GLN A 44 -4.111 -8.787 -16.023 1.00 0.56 H new ATOM 0 HB3 GLN A 44 -2.882 -7.618 -15.585 1.00 0.56 H new ATOM 0 HG2 GLN A 44 -2.372 -9.633 -14.412 1.00 0.66 H new ATOM 0 HG3 GLN A 44 -2.961 -8.492 -13.220 1.00 0.66 H new ATOM 0 HE21 GLN A 44 -5.408 -8.675 -12.713 1.00 0.85 H new ATOM 0 HE22 GLN A 44 -6.064 -10.314 -12.640 1.00 0.85 H new ATOM 170 N LEU A 45 -3.486 -5.654 -13.453 1.00 0.36 N ATOM 171 CA LEU A 45 -3.067 -4.933 -12.251 1.00 0.33 C ATOM 172 C LEU A 45 -4.182 -4.005 -11.756 1.00 0.39 C ATOM 173 O LEU A 45 -4.405 -3.922 -10.552 1.00 0.45 O ATOM 174 CB LEU A 45 -1.816 -4.130 -12.615 1.00 0.34 C ATOM 175 CG LEU A 45 -0.483 -4.900 -12.723 1.00 0.39 C ATOM 176 CD1 LEU A 45 0.104 -5.169 -11.337 1.00 0.40 C ATOM 177 CD2 LEU A 45 -0.522 -6.226 -13.483 1.00 0.57 C ATOM 0 H LEU A 45 -2.903 -5.450 -14.264 1.00 0.36 H new ATOM 0 HA LEU A 45 -2.851 -5.632 -11.443 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -1.998 -3.637 -13.570 1.00 0.34 H new ATOM 0 HB3 LEU A 45 -1.692 -3.344 -11.870 1.00 0.34 H new ATOM 0 HG LEU A 45 0.140 -4.229 -13.314 1.00 0.39 H new ATOM 0 HD11 LEU A 45 1.043 -5.713 -11.439 1.00 0.40 H new ATOM 0 HD12 LEU A 45 0.286 -4.222 -10.829 1.00 0.40 H new ATOM 0 HD13 LEU A 45 -0.598 -5.764 -10.754 1.00 0.40 H new ATOM 0 HD21 LEU A 45 0.473 -6.671 -13.490 1.00 0.57 H new ATOM 0 HD22 LEU A 45 -1.220 -6.906 -12.994 1.00 0.57 H new ATOM 0 HD23 LEU A 45 -0.847 -6.048 -14.508 1.00 0.57 H new ATOM 189 N ASP A 46 -4.965 -3.416 -12.667 1.00 0.43 N ATOM 190 CA ASP A 46 -6.179 -2.667 -12.298 1.00 0.51 C ATOM 191 C ASP A 46 -7.220 -3.546 -11.551 1.00 0.53 C ATOM 192 O ASP A 46 -7.817 -3.178 -10.530 1.00 0.61 O ATOM 193 CB ASP A 46 -6.808 -2.116 -13.582 1.00 0.61 C ATOM 194 CG ASP A 46 -7.960 -1.161 -13.286 1.00 0.84 C ATOM 195 OD1 ASP A 46 -7.691 -0.017 -12.847 1.00 1.52 O ATOM 196 OD2 ASP A 46 -9.131 -1.523 -13.540 1.00 1.92 O ATOM 0 H ASP A 46 -4.781 -3.442 -13.670 1.00 0.43 H new ATOM 0 HA ASP A 46 -5.891 -1.866 -11.617 1.00 0.51 H new ATOM 0 HB2 ASP A 46 -6.047 -1.597 -14.165 1.00 0.61 H new ATOM 0 HB3 ASP A 46 -7.170 -2.943 -14.193 1.00 0.61 H new ATOM 201 N ALA A 47 -7.386 -4.775 -12.045 1.00 0.52 N ATOM 202 CA ALA A 47 -8.385 -5.723 -11.559 1.00 0.65 C ATOM 203 C ALA A 47 -7.898 -6.420 -10.283 1.00 0.79 C ATOM 204 O ALA A 47 -8.710 -6.916 -9.502 1.00 1.10 O ATOM 205 CB ALA A 47 -8.713 -6.719 -12.678 1.00 0.73 C ATOM 0 H ALA A 47 -6.818 -5.144 -12.808 1.00 0.52 H new ATOM 0 HA ALA A 47 -9.300 -5.195 -11.291 1.00 0.65 H new ATOM 0 HB1 ALA A 47 -9.458 -7.431 -12.324 1.00 0.73 H new ATOM 0 HB2 ALA A 47 -9.106 -6.181 -13.541 1.00 0.73 H new ATOM 0 HB3 ALA A 47 -7.808 -7.254 -12.966 1.00 0.73 H new ATOM 211 N LEU A 48 -6.576 -6.412 -10.074 1.00 0.63 N ATOM 212 CA LEU A 48 -5.872 -6.766 -8.852 1.00 0.62 C ATOM 213 C LEU A 48 -6.064 -5.686 -7.762 1.00 0.69 C ATOM 214 O LEU A 48 -6.486 -6.008 -6.652 1.00 0.81 O ATOM 215 CB LEU A 48 -4.387 -6.969 -9.231 1.00 0.51 C ATOM 216 CG LEU A 48 -3.896 -8.387 -9.606 1.00 0.87 C ATOM 217 CD1 LEU A 48 -2.367 -8.423 -9.608 1.00 0.49 C ATOM 218 CD2 LEU A 48 -4.446 -9.564 -8.802 1.00 2.18 C ATOM 0 H LEU A 48 -5.930 -6.137 -10.814 1.00 0.63 H new ATOM 0 HA LEU A 48 -6.271 -7.684 -8.421 1.00 0.62 H new ATOM 0 HB2 LEU A 48 -4.170 -6.312 -10.073 1.00 0.51 H new ATOM 0 HB3 LEU A 48 -3.783 -6.623 -8.392 1.00 0.51 H new ATOM 0 HG LEU A 48 -4.314 -8.546 -10.600 1.00 0.87 H new ATOM 0 HD11 LEU A 48 -2.027 -9.424 -9.873 1.00 0.49 H new ATOM 0 HD12 LEU A 48 -1.987 -7.706 -10.336 1.00 0.49 H new ATOM 0 HD13 LEU A 48 -1.996 -8.164 -8.616 1.00 0.49 H new ATOM 0 HD21 LEU A 48 -4.015 -10.493 -9.175 1.00 2.18 H new ATOM 0 HD22 LEU A 48 -4.186 -9.440 -7.751 1.00 2.18 H new ATOM 0 HD23 LEU A 48 -5.530 -9.600 -8.905 1.00 2.18 H new ATOM 230 N VAL A 49 -5.833 -4.396 -8.041 1.00 0.63 N ATOM 231 CA VAL A 49 -6.060 -3.332 -7.033 1.00 0.62 C ATOM 232 C VAL A 49 -7.523 -3.163 -6.659 1.00 0.60 C ATOM 233 O VAL A 49 -7.805 -2.868 -5.499 1.00 0.76 O ATOM 234 CB VAL A 49 -5.469 -1.967 -7.427 1.00 0.61 C ATOM 235 CG1 VAL A 49 -3.957 -2.000 -7.518 1.00 0.62 C ATOM 236 CG2 VAL A 49 -5.987 -1.412 -8.749 1.00 0.58 C ATOM 0 H VAL A 49 -5.493 -4.059 -8.942 1.00 0.63 H new ATOM 0 HA VAL A 49 -5.519 -3.689 -6.157 1.00 0.62 H new ATOM 0 HB VAL A 49 -5.798 -1.312 -6.620 1.00 0.61 H new ATOM 0 HG11 VAL A 49 -3.588 -1.014 -7.799 1.00 0.62 H new ATOM 0 HG12 VAL A 49 -3.540 -2.282 -6.551 1.00 0.62 H new ATOM 0 HG13 VAL A 49 -3.654 -2.729 -8.270 1.00 0.62 H new ATOM 0 HG21 VAL A 49 -5.518 -0.448 -8.948 1.00 0.58 H new ATOM 0 HG22 VAL A 49 -5.746 -2.106 -9.554 1.00 0.58 H new ATOM 0 HG23 VAL A 49 -7.068 -1.284 -8.691 1.00 0.58 H new ATOM 246 N LYS A 50 -8.468 -3.428 -7.571 1.00 0.54 N ATOM 247 CA LYS A 50 -9.898 -3.389 -7.229 1.00 0.51 C ATOM 248 C LYS A 50 -10.452 -4.589 -6.441 1.00 0.52 C ATOM 249 O LYS A 50 -11.668 -4.733 -6.315 1.00 0.65 O ATOM 250 CB LYS A 50 -10.762 -2.876 -8.397 1.00 0.64 C ATOM 251 CG LYS A 50 -11.815 -1.903 -7.840 1.00 1.65 C ATOM 252 CD LYS A 50 -11.259 -0.507 -7.529 1.00 1.00 C ATOM 253 CE LYS A 50 -12.256 0.344 -6.719 1.00 1.72 C ATOM 254 NZ LYS A 50 -13.474 0.738 -7.469 1.00 2.41 N ATOM 0 H LYS A 50 -8.272 -3.670 -8.542 1.00 0.54 H new ATOM 0 HA LYS A 50 -9.981 -2.625 -6.456 1.00 0.51 H new ATOM 0 HB2 LYS A 50 -10.138 -2.375 -9.137 1.00 0.64 H new ATOM 0 HB3 LYS A 50 -11.248 -3.710 -8.903 1.00 0.64 H new ATOM 0 HG2 LYS A 50 -12.628 -1.809 -8.560 1.00 1.65 H new ATOM 0 HG3 LYS A 50 -12.243 -2.325 -6.931 1.00 1.65 H new ATOM 0 HD2 LYS A 50 -10.328 -0.604 -6.971 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -11.020 0.004 -8.462 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -12.555 -0.214 -5.832 1.00 1.72 H new ATOM 0 HE3 LYS A 50 -11.749 1.245 -6.373 1.00 1.72 H new ATOM 0 HZ1 LYS A 50 -14.091 1.307 -6.855 1.00 2.41 H new ATOM 0 HZ2 LYS A 50 -13.203 1.299 -8.302 1.00 2.41 H new ATOM 0 HZ3 LYS A 50 -13.983 -0.115 -7.777 1.00 2.41 H new ATOM 268 N LYS A 51 -9.596 -5.465 -5.903 1.00 0.49 N ATOM 269 CA LYS A 51 -9.984 -6.467 -4.894 1.00 0.57 C ATOM 270 C LYS A 51 -10.446 -5.867 -3.572 1.00 0.73 C ATOM 271 O LYS A 51 -11.363 -6.417 -2.976 1.00 0.97 O ATOM 272 CB LYS A 51 -8.816 -7.418 -4.600 1.00 0.70 C ATOM 273 CG LYS A 51 -8.902 -8.734 -5.369 1.00 0.87 C ATOM 274 CD LYS A 51 -8.965 -8.531 -6.883 1.00 1.18 C ATOM 275 CE LYS A 51 -8.629 -9.799 -7.662 1.00 1.07 C ATOM 276 NZ LYS A 51 -9.604 -10.888 -7.409 1.00 1.62 N ATOM 0 H LYS A 51 -8.608 -5.502 -6.154 1.00 0.49 H new ATOM 0 HA LYS A 51 -10.828 -6.999 -5.333 1.00 0.57 H new ATOM 0 HB2 LYS A 51 -7.879 -6.920 -4.849 1.00 0.70 H new ATOM 0 HB3 LYS A 51 -8.789 -7.631 -3.531 1.00 0.70 H new ATOM 0 HG2 LYS A 51 -8.036 -9.350 -5.125 1.00 0.87 H new ATOM 0 HG3 LYS A 51 -9.785 -9.283 -5.043 1.00 0.87 H new ATOM 0 HD2 LYS A 51 -9.964 -8.194 -7.159 1.00 1.18 H new ATOM 0 HD3 LYS A 51 -8.272 -7.740 -7.168 1.00 1.18 H new ATOM 0 HE2 LYS A 51 -8.608 -9.573 -8.728 1.00 1.07 H new ATOM 0 HE3 LYS A 51 -7.630 -10.138 -7.388 1.00 1.07 H new ATOM 0 HZ1 LYS A 51 -9.336 -11.729 -7.959 1.00 1.62 H new ATOM 0 HZ2 LYS A 51 -9.607 -11.123 -6.396 1.00 1.62 H new ATOM 0 HZ3 LYS A 51 -10.554 -10.576 -7.695 1.00 1.62 H new ATOM 290 N ASP A 52 -9.825 -4.790 -3.091 1.00 0.65 N ATOM 291 CA ASP A 52 -10.128 -4.264 -1.757 1.00 0.60 C ATOM 292 C ASP A 52 -10.084 -2.739 -1.701 1.00 0.56 C ATOM 293 O ASP A 52 -9.691 -2.070 -2.662 1.00 0.55 O ATOM 294 CB ASP A 52 -9.183 -4.888 -0.708 1.00 0.61 C ATOM 295 CG ASP A 52 -9.928 -5.327 0.555 1.00 0.70 C ATOM 296 OD1 ASP A 52 -10.887 -4.621 0.937 1.00 2.01 O ATOM 297 OD2 ASP A 52 -9.579 -6.375 1.153 1.00 1.63 O ATOM 0 H ASP A 52 -9.113 -4.266 -3.600 1.00 0.65 H new ATOM 0 HA ASP A 52 -11.154 -4.549 -1.522 1.00 0.60 H new ATOM 0 HB2 ASP A 52 -8.675 -5.748 -1.145 1.00 0.61 H new ATOM 0 HB3 ASP A 52 -8.413 -4.165 -0.440 1.00 0.61 H new ATOM 302 N LYS A 53 -10.468 -2.176 -0.556 1.00 0.59 N ATOM 303 CA LYS A 53 -10.354 -0.732 -0.327 1.00 0.58 C ATOM 304 C LYS A 53 -8.920 -0.313 -0.023 1.00 0.43 C ATOM 305 O LYS A 53 -8.560 0.833 -0.285 1.00 0.40 O ATOM 306 CB LYS A 53 -11.387 -0.244 0.697 1.00 0.62 C ATOM 307 CG LYS A 53 -11.137 -0.523 2.186 1.00 1.41 C ATOM 308 CD LYS A 53 -11.109 -1.953 2.722 1.00 0.62 C ATOM 309 CE LYS A 53 -12.494 -2.581 2.558 1.00 0.94 C ATOM 310 NZ LYS A 53 -12.535 -3.976 3.054 1.00 1.33 N ATOM 0 H LYS A 53 -10.861 -2.696 0.229 1.00 0.59 H new ATOM 0 HA LYS A 53 -10.602 -0.220 -1.257 1.00 0.58 H new ATOM 0 HB2 LYS A 53 -11.489 0.834 0.575 1.00 0.62 H new ATOM 0 HB3 LYS A 53 -12.348 -0.687 0.434 1.00 0.62 H new ATOM 0 HG2 LYS A 53 -10.180 -0.067 2.440 1.00 1.41 H new ATOM 0 HG3 LYS A 53 -11.904 0.013 2.745 1.00 1.41 H new ATOM 0 HD2 LYS A 53 -10.365 -2.541 2.185 1.00 0.62 H new ATOM 0 HD3 LYS A 53 -10.818 -1.954 3.773 1.00 0.62 H new ATOM 0 HE2 LYS A 53 -13.229 -1.983 3.097 1.00 0.94 H new ATOM 0 HE3 LYS A 53 -12.778 -2.562 1.506 1.00 0.94 H new ATOM 0 HZ1 LYS A 53 -13.517 -4.317 3.050 1.00 1.33 H new ATOM 0 HZ2 LYS A 53 -11.956 -4.581 2.437 1.00 1.33 H new ATOM 0 HZ3 LYS A 53 -12.160 -4.011 4.024 1.00 1.33 H new ATOM 324 N VAL A 54 -8.103 -1.256 0.457 1.00 0.41 N ATOM 325 CA VAL A 54 -6.680 -1.100 0.746 1.00 0.44 C ATOM 326 C VAL A 54 -5.961 -2.313 0.177 1.00 0.58 C ATOM 327 O VAL A 54 -6.208 -3.457 0.547 1.00 0.94 O ATOM 328 CB VAL A 54 -6.382 -1.001 2.258 1.00 0.39 C ATOM 329 CG1 VAL A 54 -5.354 0.064 2.576 1.00 0.49 C ATOM 330 CG2 VAL A 54 -7.606 -0.711 3.108 1.00 0.32 C ATOM 0 H VAL A 54 -8.437 -2.197 0.664 1.00 0.41 H new ATOM 0 HA VAL A 54 -6.338 -0.169 0.295 1.00 0.44 H new ATOM 0 HB VAL A 54 -6.000 -1.991 2.507 1.00 0.39 H new ATOM 0 HG11 VAL A 54 -5.181 0.093 3.652 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -4.420 -0.167 2.064 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -5.720 1.035 2.242 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -7.316 -0.656 4.157 1.00 0.32 H new ATOM 0 HG22 VAL A 54 -8.044 0.239 2.803 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -8.338 -1.507 2.975 1.00 0.32 H new ATOM 340 N VAL A 55 -5.045 -2.067 -0.731 1.00 0.31 N ATOM 341 CA VAL A 55 -4.177 -3.101 -1.300 1.00 0.27 C ATOM 342 C VAL A 55 -2.733 -2.622 -1.240 1.00 0.26 C ATOM 343 O VAL A 55 -2.373 -1.572 -1.773 1.00 0.28 O ATOM 344 CB VAL A 55 -4.601 -3.483 -2.723 1.00 0.30 C ATOM 345 CG1 VAL A 55 -5.655 -4.584 -2.733 1.00 1.37 C ATOM 346 CG2 VAL A 55 -5.260 -2.326 -3.443 1.00 1.36 C ATOM 0 H VAL A 55 -4.871 -1.135 -1.107 1.00 0.31 H new ATOM 0 HA VAL A 55 -4.271 -4.012 -0.709 1.00 0.27 H new ATOM 0 HB VAL A 55 -3.677 -3.799 -3.207 1.00 0.30 H new ATOM 0 HG11 VAL A 55 -5.924 -4.821 -3.762 1.00 1.37 H new ATOM 0 HG12 VAL A 55 -5.255 -5.475 -2.248 1.00 1.37 H new ATOM 0 HG13 VAL A 55 -6.541 -4.245 -2.195 1.00 1.37 H new ATOM 0 HG21 VAL A 55 -5.545 -2.638 -4.448 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -6.148 -2.014 -2.894 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -4.561 -1.492 -3.507 1.00 1.36 H new ATOM 356 N VAL A 56 -1.919 -3.390 -0.528 1.00 0.27 N ATOM 357 CA VAL A 56 -0.546 -3.056 -0.133 1.00 0.26 C ATOM 358 C VAL A 56 0.418 -3.932 -0.895 1.00 0.30 C ATOM 359 O VAL A 56 0.056 -5.027 -1.283 1.00 0.36 O ATOM 360 CB VAL A 56 -0.392 -3.200 1.387 1.00 0.26 C ATOM 361 CG1 VAL A 56 0.984 -2.845 1.908 1.00 0.27 C ATOM 362 CG2 VAL A 56 -1.281 -2.159 2.051 1.00 0.29 C ATOM 0 H VAL A 56 -2.207 -4.309 -0.191 1.00 0.27 H new ATOM 0 HA VAL A 56 -0.320 -2.019 -0.382 1.00 0.26 H new ATOM 0 HB VAL A 56 -0.623 -4.243 1.603 1.00 0.26 H new ATOM 0 HG11 VAL A 56 1.008 -2.974 2.990 1.00 0.27 H new ATOM 0 HG12 VAL A 56 1.727 -3.497 1.449 1.00 0.27 H new ATOM 0 HG13 VAL A 56 1.210 -1.808 1.661 1.00 0.27 H new ATOM 0 HG21 VAL A 56 -1.190 -2.240 3.134 1.00 0.29 H new ATOM 0 HG22 VAL A 56 -0.973 -1.162 1.735 1.00 0.29 H new ATOM 0 HG23 VAL A 56 -2.318 -2.328 1.761 1.00 0.29 H new ATOM 372 N PHE A 57 1.624 -3.455 -1.154 1.00 0.28 N ATOM 373 CA PHE A 57 2.462 -4.001 -2.220 1.00 0.30 C ATOM 374 C PHE A 57 3.917 -4.021 -1.800 1.00 0.27 C ATOM 375 O PHE A 57 4.540 -2.957 -1.730 1.00 0.31 O ATOM 376 CB PHE A 57 2.285 -3.061 -3.402 1.00 0.33 C ATOM 377 CG PHE A 57 1.067 -3.360 -4.247 1.00 0.35 C ATOM 378 CD1 PHE A 57 1.092 -4.423 -5.169 1.00 1.67 C ATOM 379 CD2 PHE A 57 -0.098 -2.592 -4.092 1.00 1.75 C ATOM 380 CE1 PHE A 57 -0.043 -4.699 -5.955 1.00 1.67 C ATOM 381 CE2 PHE A 57 -1.235 -2.875 -4.871 1.00 1.76 C ATOM 382 CZ PHE A 57 -1.207 -3.922 -5.815 1.00 0.37 C ATOM 0 H PHE A 57 2.051 -2.685 -0.639 1.00 0.28 H new ATOM 0 HA PHE A 57 2.178 -5.026 -2.460 1.00 0.30 H new ATOM 0 HB2 PHE A 57 2.216 -2.038 -3.033 1.00 0.33 H new ATOM 0 HB3 PHE A 57 3.173 -3.114 -4.031 1.00 0.33 H new ATOM 0 HD1 PHE A 57 1.981 -5.027 -5.274 1.00 1.67 H new ATOM 0 HD2 PHE A 57 -0.121 -1.784 -3.375 1.00 1.75 H new ATOM 0 HE1 PHE A 57 -0.020 -5.510 -6.668 1.00 1.67 H new ATOM 0 HE2 PHE A 57 -2.133 -2.288 -4.745 1.00 1.76 H new ATOM 0 HZ PHE A 57 -2.074 -4.126 -6.426 1.00 0.37 H new ATOM 392 N LEU A 58 4.444 -5.207 -1.476 1.00 0.27 N ATOM 393 CA LEU A 58 5.777 -5.297 -0.913 1.00 0.26 C ATOM 394 C LEU A 58 6.468 -6.665 -1.156 1.00 0.27 C ATOM 395 O LEU A 58 5.813 -7.691 -1.403 1.00 0.31 O ATOM 396 CB LEU A 58 5.712 -4.833 0.558 1.00 0.28 C ATOM 397 CG LEU A 58 4.384 -4.926 1.357 1.00 0.26 C ATOM 398 CD1 LEU A 58 3.971 -6.330 1.807 1.00 0.28 C ATOM 399 CD2 LEU A 58 4.513 -4.022 2.575 1.00 0.34 C ATOM 0 H LEU A 58 3.968 -6.101 -1.595 1.00 0.27 H new ATOM 0 HA LEU A 58 6.448 -4.622 -1.444 1.00 0.26 H new ATOM 0 HB2 LEU A 58 6.459 -5.405 1.109 1.00 0.28 H new ATOM 0 HB3 LEU A 58 6.028 -3.790 0.580 1.00 0.28 H new ATOM 0 HG LEU A 58 3.594 -4.616 0.674 1.00 0.26 H new ATOM 0 HD11 LEU A 58 3.030 -6.274 2.355 1.00 0.28 H new ATOM 0 HD12 LEU A 58 3.845 -6.970 0.933 1.00 0.28 H new ATOM 0 HD13 LEU A 58 4.743 -6.747 2.453 1.00 0.28 H new ATOM 0 HD21 LEU A 58 3.594 -4.065 3.159 1.00 0.34 H new ATOM 0 HD22 LEU A 58 5.349 -4.356 3.189 1.00 0.34 H new ATOM 0 HD23 LEU A 58 4.689 -2.997 2.250 1.00 0.34 H new ATOM 411 N LYS A 59 7.812 -6.702 -1.105 1.00 0.32 N ATOM 412 CA LYS A 59 8.602 -7.952 -1.227 1.00 0.42 C ATOM 413 C LYS A 59 8.905 -8.560 0.147 1.00 0.47 C ATOM 414 O LYS A 59 10.060 -8.704 0.556 1.00 0.51 O ATOM 415 CB LYS A 59 9.868 -7.735 -2.086 1.00 0.51 C ATOM 416 CG LYS A 59 10.733 -6.538 -1.657 1.00 0.55 C ATOM 417 CD LYS A 59 12.149 -6.569 -2.247 1.00 1.02 C ATOM 418 CE LYS A 59 12.106 -6.617 -3.779 1.00 1.42 C ATOM 419 NZ LYS A 59 13.445 -6.441 -4.376 1.00 1.99 N ATOM 0 H LYS A 59 8.386 -5.868 -0.978 1.00 0.32 H new ATOM 0 HA LYS A 59 7.995 -8.686 -1.757 1.00 0.42 H new ATOM 0 HB2 LYS A 59 10.476 -8.639 -2.048 1.00 0.51 H new ATOM 0 HB3 LYS A 59 9.568 -7.596 -3.125 1.00 0.51 H new ATOM 0 HG2 LYS A 59 10.240 -5.615 -1.962 1.00 0.55 H new ATOM 0 HG3 LYS A 59 10.801 -6.519 -0.569 1.00 0.55 H new ATOM 0 HD2 LYS A 59 12.701 -5.687 -1.923 1.00 1.02 H new ATOM 0 HD3 LYS A 59 12.686 -7.438 -1.867 1.00 1.02 H new ATOM 0 HE2 LYS A 59 11.689 -7.571 -4.100 1.00 1.42 H new ATOM 0 HE3 LYS A 59 11.439 -5.837 -4.148 1.00 1.42 H new ATOM 0 HZ1 LYS A 59 13.447 -6.822 -5.344 1.00 1.99 H new ATOM 0 HZ2 LYS A 59 13.683 -5.429 -4.402 1.00 1.99 H new ATOM 0 HZ3 LYS A 59 14.150 -6.948 -3.803 1.00 1.99 H new ATOM 433 N GLY A 60 7.836 -8.986 0.818 1.00 0.54 N ATOM 434 CA GLY A 60 7.873 -9.415 2.220 1.00 0.61 C ATOM 435 C GLY A 60 6.618 -10.108 2.693 1.00 0.86 C ATOM 436 O GLY A 60 6.160 -11.038 2.037 1.00 1.83 O ATOM 0 H GLY A 60 6.907 -9.045 0.400 1.00 0.54 H new ATOM 0 HA2 GLY A 60 8.719 -10.087 2.359 1.00 0.61 H new ATOM 0 HA3 GLY A 60 8.051 -8.543 2.850 1.00 0.61 H new ATOM 440 N THR A 61 6.112 -9.607 3.824 1.00 0.44 N ATOM 441 CA THR A 61 4.854 -9.833 4.570 1.00 0.44 C ATOM 442 C THR A 61 4.721 -8.709 5.611 1.00 0.41 C ATOM 443 O THR A 61 5.731 -8.088 5.956 1.00 0.49 O ATOM 444 CB THR A 61 4.904 -11.148 5.376 1.00 0.73 C ATOM 445 OG1 THR A 61 5.993 -11.134 6.278 1.00 0.96 O ATOM 446 CG2 THR A 61 5.055 -12.418 4.543 1.00 0.98 C ATOM 0 H THR A 61 6.668 -8.915 4.326 1.00 0.44 H new ATOM 0 HA THR A 61 4.033 -9.865 3.853 1.00 0.44 H new ATOM 0 HB THR A 61 3.935 -11.183 5.874 1.00 0.73 H new ATOM 0 HG1 THR A 61 5.815 -11.754 7.016 1.00 0.96 H new ATOM 0 HG21 THR A 61 5.080 -13.285 5.203 1.00 0.98 H new ATOM 0 HG22 THR A 61 4.211 -12.507 3.859 1.00 0.98 H new ATOM 0 HG23 THR A 61 5.982 -12.370 3.972 1.00 0.98 H new ATOM 454 N PRO A 62 3.517 -8.432 6.145 1.00 0.38 N ATOM 455 CA PRO A 62 3.314 -7.324 7.077 1.00 0.48 C ATOM 456 C PRO A 62 3.999 -7.487 8.445 1.00 0.82 C ATOM 457 O PRO A 62 4.274 -6.480 9.101 1.00 1.07 O ATOM 458 CB PRO A 62 1.790 -7.179 7.207 1.00 0.41 C ATOM 459 CG PRO A 62 1.263 -8.567 6.859 1.00 0.49 C ATOM 460 CD PRO A 62 2.241 -9.034 5.790 1.00 0.41 C ATOM 0 HA PRO A 62 3.790 -6.426 6.684 1.00 0.48 H new ATOM 0 HB2 PRO A 62 1.501 -6.882 8.215 1.00 0.41 H new ATOM 0 HB3 PRO A 62 1.401 -6.421 6.527 1.00 0.41 H new ATOM 0 HG2 PRO A 62 1.262 -9.229 7.725 1.00 0.49 H new ATOM 0 HG3 PRO A 62 0.240 -8.530 6.485 1.00 0.49 H new ATOM 0 HD2 PRO A 62 2.312 -10.122 5.770 1.00 0.41 H new ATOM 0 HD3 PRO A 62 1.919 -8.717 4.798 1.00 0.41 H new ATOM 468 N GLU A 63 4.288 -8.711 8.899 1.00 1.00 N ATOM 469 CA GLU A 63 4.892 -8.940 10.226 1.00 1.45 C ATOM 470 C GLU A 63 6.428 -9.026 10.248 1.00 1.61 C ATOM 471 O GLU A 63 7.005 -8.859 11.325 1.00 1.95 O ATOM 472 CB GLU A 63 4.230 -10.134 10.938 1.00 1.76 C ATOM 473 CG GLU A 63 4.698 -11.526 10.489 1.00 2.23 C ATOM 474 CD GLU A 63 4.321 -11.847 9.043 1.00 2.56 C ATOM 475 OE1 GLU A 63 3.221 -11.463 8.586 1.00 3.25 O ATOM 476 OE2 GLU A 63 5.128 -12.488 8.329 1.00 3.46 O ATOM 0 H GLU A 63 4.114 -9.565 8.368 1.00 1.00 H new ATOM 0 HA GLU A 63 4.679 -8.033 10.792 1.00 1.45 H new ATOM 0 HB2 GLU A 63 4.410 -10.039 12.009 1.00 1.76 H new ATOM 0 HB3 GLU A 63 3.152 -10.069 10.789 1.00 1.76 H new ATOM 0 HG2 GLU A 63 5.780 -11.592 10.599 1.00 2.23 H new ATOM 0 HG3 GLU A 63 4.264 -12.279 11.147 1.00 2.23 H new ATOM 483 N GLN A 64 7.102 -9.267 9.111 1.00 1.42 N ATOM 484 CA GLN A 64 8.576 -9.361 9.042 1.00 1.51 C ATOM 485 C GLN A 64 9.205 -8.162 8.299 1.00 1.64 C ATOM 486 O GLN A 64 8.722 -7.804 7.221 1.00 1.84 O ATOM 487 CB GLN A 64 9.029 -10.679 8.383 1.00 1.62 C ATOM 488 CG GLN A 64 9.431 -11.778 9.380 1.00 2.08 C ATOM 489 CD GLN A 64 10.089 -12.975 8.686 1.00 2.64 C ATOM 490 OE1 GLN A 64 11.172 -12.887 8.118 1.00 3.42 O ATOM 491 NE2 GLN A 64 9.468 -14.130 8.684 1.00 2.86 N ATOM 0 H GLN A 64 6.642 -9.403 8.211 1.00 1.42 H new ATOM 0 HA GLN A 64 8.930 -9.343 10.073 1.00 1.51 H new ATOM 0 HB2 GLN A 64 8.222 -11.053 7.753 1.00 1.62 H new ATOM 0 HB3 GLN A 64 9.875 -10.472 7.727 1.00 1.62 H new ATOM 0 HG2 GLN A 64 10.119 -11.364 10.117 1.00 2.08 H new ATOM 0 HG3 GLN A 64 8.548 -12.115 9.923 1.00 2.08 H new ATOM 0 HE21 GLN A 64 8.566 -14.225 9.151 1.00 2.86 H new ATOM 0 HE22 GLN A 64 9.887 -14.934 8.216 1.00 2.86 H new ATOM 500 N PRO A 65 10.333 -7.596 8.772 1.00 1.74 N ATOM 501 CA PRO A 65 11.081 -6.563 8.055 1.00 1.82 C ATOM 502 C PRO A 65 11.984 -7.188 6.970 1.00 1.52 C ATOM 503 O PRO A 65 13.211 -7.196 7.075 1.00 1.77 O ATOM 504 CB PRO A 65 11.829 -5.795 9.152 1.00 2.11 C ATOM 505 CG PRO A 65 12.146 -6.888 10.171 1.00 2.26 C ATOM 506 CD PRO A 65 10.944 -7.832 10.077 1.00 1.98 C ATOM 0 HA PRO A 65 10.450 -5.877 7.490 1.00 1.82 H new ATOM 0 HB2 PRO A 65 12.734 -5.323 8.770 1.00 2.11 H new ATOM 0 HB3 PRO A 65 11.215 -5.005 9.584 1.00 2.11 H new ATOM 0 HG2 PRO A 65 13.078 -7.401 9.931 1.00 2.26 H new ATOM 0 HG3 PRO A 65 12.256 -6.479 11.175 1.00 2.26 H new ATOM 0 HD2 PRO A 65 11.258 -8.871 10.176 1.00 1.98 H new ATOM 0 HD3 PRO A 65 10.233 -7.636 10.880 1.00 1.98 H new ATOM 514 N GLN A 66 11.355 -7.711 5.910 1.00 1.13 N ATOM 515 CA GLN A 66 11.958 -8.183 4.644 1.00 0.84 C ATOM 516 C GLN A 66 13.239 -7.453 4.185 1.00 0.90 C ATOM 517 O GLN A 66 14.253 -8.077 3.879 1.00 1.06 O ATOM 518 CB GLN A 66 10.905 -8.013 3.530 1.00 0.65 C ATOM 519 CG GLN A 66 10.055 -6.734 3.670 1.00 1.25 C ATOM 520 CD GLN A 66 9.525 -6.167 2.367 1.00 0.80 C ATOM 521 OE1 GLN A 66 8.369 -6.327 2.034 1.00 1.74 O ATOM 522 NE2 GLN A 66 10.236 -5.300 1.688 1.00 0.92 N ATOM 0 H GLN A 66 10.342 -7.826 5.908 1.00 1.13 H new ATOM 0 HA GLN A 66 12.256 -9.215 4.831 1.00 0.84 H new ATOM 0 HB2 GLN A 66 11.410 -7.999 2.564 1.00 0.65 H new ATOM 0 HB3 GLN A 66 10.244 -8.880 3.532 1.00 0.65 H new ATOM 0 HG2 GLN A 66 9.211 -6.948 4.325 1.00 1.25 H new ATOM 0 HG3 GLN A 66 10.656 -5.970 4.163 1.00 1.25 H new ATOM 0 HE21 GLN A 66 11.212 -5.136 1.935 1.00 0.92 H new ATOM 0 HE22 GLN A 66 9.813 -4.790 0.912 1.00 0.92 H new ATOM 531 N CYS A 67 13.155 -6.128 4.098 1.00 0.91 N ATOM 532 CA CYS A 67 14.133 -5.182 3.576 1.00 1.13 C ATOM 533 C CYS A 67 13.734 -3.781 4.103 1.00 1.28 C ATOM 534 O CYS A 67 12.797 -3.674 4.904 1.00 1.62 O ATOM 535 CB CYS A 67 14.111 -5.274 2.034 1.00 1.11 C ATOM 536 SG CYS A 67 15.601 -4.509 1.337 1.00 1.64 S ATOM 0 H CYS A 67 12.318 -5.645 4.424 1.00 0.91 H new ATOM 0 HA CYS A 67 15.152 -5.394 3.900 1.00 1.13 H new ATOM 0 HB2 CYS A 67 14.052 -6.318 1.726 1.00 1.11 H new ATOM 0 HB3 CYS A 67 13.223 -4.776 1.646 1.00 1.11 H new ATOM 0 HG CYS A 67 15.568 -4.597 0.040 1.00 1.64 H new ATOM 542 N GLY A 68 14.384 -2.706 3.649 1.00 1.70 N ATOM 543 CA GLY A 68 14.097 -1.335 4.089 1.00 1.84 C ATOM 544 C GLY A 68 12.629 -0.906 3.937 1.00 1.71 C ATOM 545 O GLY A 68 11.980 -1.216 2.935 1.00 2.62 O ATOM 0 H GLY A 68 15.132 -2.762 2.958 1.00 1.70 H new ATOM 0 HA2 GLY A 68 14.384 -1.236 5.136 1.00 1.84 H new ATOM 0 HA3 GLY A 68 14.723 -0.647 3.521 1.00 1.84 H new ATOM 549 N PHE A 69 12.123 -0.188 4.946 1.00 1.23 N ATOM 550 CA PHE A 69 10.832 0.525 4.973 1.00 1.19 C ATOM 551 C PHE A 69 9.519 -0.240 4.688 1.00 1.03 C ATOM 552 O PHE A 69 8.473 0.381 4.495 1.00 1.03 O ATOM 553 CB PHE A 69 10.959 1.926 4.375 1.00 2.22 C ATOM 554 CG PHE A 69 11.674 2.038 3.071 1.00 1.21 C ATOM 555 CD1 PHE A 69 10.930 1.757 1.935 1.00 1.81 C ATOM 556 CD2 PHE A 69 12.983 2.523 2.981 1.00 2.21 C ATOM 557 CE1 PHE A 69 11.438 2.061 0.669 1.00 2.33 C ATOM 558 CE2 PHE A 69 13.528 2.786 1.708 1.00 1.96 C ATOM 559 CZ PHE A 69 12.743 2.584 0.552 1.00 1.57 C ATOM 0 H PHE A 69 12.633 -0.080 5.823 1.00 1.23 H new ATOM 0 HA PHE A 69 10.636 0.636 6.040 1.00 1.19 H new ATOM 0 HB2 PHE A 69 9.956 2.334 4.249 1.00 2.22 H new ATOM 0 HB3 PHE A 69 11.472 2.559 5.099 1.00 2.22 H new ATOM 0 HD1 PHE A 69 9.955 1.302 2.029 1.00 1.81 H new ATOM 0 HD2 PHE A 69 13.567 2.693 3.873 1.00 2.21 H new ATOM 0 HE1 PHE A 69 10.836 1.897 -0.213 1.00 2.33 H new ATOM 0 HE2 PHE A 69 14.544 3.141 1.617 1.00 1.96 H new ATOM 0 HZ PHE A 69 13.141 2.830 -0.421 1.00 1.57 H new ATOM 569 N SER A 70 9.506 -1.574 4.724 1.00 1.06 N ATOM 570 CA SER A 70 8.273 -2.365 4.537 1.00 1.09 C ATOM 571 C SER A 70 7.413 -2.572 5.787 1.00 0.82 C ATOM 572 O SER A 70 6.219 -2.843 5.675 1.00 0.81 O ATOM 573 CB SER A 70 8.573 -3.695 3.884 1.00 1.39 C ATOM 574 OG SER A 70 7.902 -3.720 2.643 1.00 3.54 O ATOM 0 H SER A 70 10.340 -2.140 4.882 1.00 1.06 H new ATOM 0 HA SER A 70 7.664 -1.746 3.878 1.00 1.09 H new ATOM 0 HB2 SER A 70 9.647 -3.819 3.742 1.00 1.39 H new ATOM 0 HB3 SER A 70 8.239 -4.517 4.517 1.00 1.39 H new ATOM 0 HG SER A 70 7.827 -4.646 2.330 1.00 3.54 H new ATOM 580 N ASN A 71 7.965 -2.429 6.993 1.00 0.69 N ATOM 581 CA ASN A 71 7.138 -2.342 8.203 1.00 0.58 C ATOM 582 C ASN A 71 6.568 -0.942 8.386 1.00 0.52 C ATOM 583 O ASN A 71 5.476 -0.812 8.913 1.00 0.55 O ATOM 584 CB ASN A 71 7.982 -2.749 9.415 1.00 0.62 C ATOM 585 CG ASN A 71 7.138 -3.157 10.616 1.00 1.77 C ATOM 586 OD1 ASN A 71 7.124 -2.498 11.646 1.00 2.88 O ATOM 587 ND2 ASN A 71 6.394 -4.237 10.534 1.00 3.30 N ATOM 0 H ASN A 71 8.970 -2.371 7.160 1.00 0.69 H new ATOM 0 HA ASN A 71 6.292 -3.022 8.103 1.00 0.58 H new ATOM 0 HB2 ASN A 71 8.633 -3.578 9.136 1.00 0.62 H new ATOM 0 HB3 ASN A 71 8.628 -1.918 9.697 1.00 0.62 H new ATOM 0 HD21 ASN A 71 5.813 -4.517 11.324 1.00 3.30 H new ATOM 0 HD22 ASN A 71 6.397 -4.795 9.680 1.00 3.30 H new ATOM 594 N ALA A 72 7.247 0.092 7.894 1.00 0.54 N ATOM 595 CA ALA A 72 6.825 1.490 8.036 1.00 0.56 C ATOM 596 C ALA A 72 5.441 1.746 7.440 1.00 0.50 C ATOM 597 O ALA A 72 4.619 2.434 8.045 1.00 0.55 O ATOM 598 CB ALA A 72 7.899 2.395 7.426 1.00 0.68 C ATOM 0 H ALA A 72 8.120 -0.016 7.377 1.00 0.54 H new ATOM 0 HA ALA A 72 6.725 1.723 9.096 1.00 0.56 H new ATOM 0 HB1 ALA A 72 7.596 3.437 7.526 1.00 0.68 H new ATOM 0 HB2 ALA A 72 8.844 2.240 7.947 1.00 0.68 H new ATOM 0 HB3 ALA A 72 8.023 2.153 6.371 1.00 0.68 H new ATOM 604 N VAL A 73 5.122 1.106 6.316 1.00 0.45 N ATOM 605 CA VAL A 73 3.802 1.147 5.721 1.00 0.43 C ATOM 606 C VAL A 73 2.739 0.448 6.568 1.00 0.40 C ATOM 607 O VAL A 73 1.625 0.950 6.700 1.00 0.42 O ATOM 608 CB VAL A 73 3.884 0.563 4.306 1.00 0.46 C ATOM 609 CG1 VAL A 73 4.674 1.487 3.385 1.00 0.54 C ATOM 610 CG2 VAL A 73 4.572 -0.784 4.220 1.00 0.49 C ATOM 0 H VAL A 73 5.788 0.539 5.792 1.00 0.45 H new ATOM 0 HA VAL A 73 3.479 2.187 5.671 1.00 0.43 H new ATOM 0 HB VAL A 73 2.841 0.452 4.008 1.00 0.46 H new ATOM 0 HG11 VAL A 73 4.720 1.053 2.386 1.00 0.54 H new ATOM 0 HG12 VAL A 73 4.183 2.459 3.336 1.00 0.54 H new ATOM 0 HG13 VAL A 73 5.685 1.610 3.773 1.00 0.54 H new ATOM 0 HG21 VAL A 73 4.585 -1.121 3.183 1.00 0.49 H new ATOM 0 HG22 VAL A 73 5.595 -0.694 4.585 1.00 0.49 H new ATOM 0 HG23 VAL A 73 4.032 -1.508 4.830 1.00 0.49 H new ATOM 620 N VAL A 74 3.097 -0.672 7.197 1.00 0.39 N ATOM 621 CA VAL A 74 2.202 -1.465 8.050 1.00 0.38 C ATOM 622 C VAL A 74 2.005 -0.822 9.423 1.00 0.36 C ATOM 623 O VAL A 74 0.885 -0.828 9.928 1.00 0.38 O ATOM 624 CB VAL A 74 2.671 -2.925 8.111 1.00 0.43 C ATOM 625 CG1 VAL A 74 1.907 -3.759 9.145 1.00 0.47 C ATOM 626 CG2 VAL A 74 2.437 -3.557 6.731 1.00 0.50 C ATOM 0 H VAL A 74 4.036 -1.064 7.128 1.00 0.39 H new ATOM 0 HA VAL A 74 1.210 -1.477 7.599 1.00 0.38 H new ATOM 0 HB VAL A 74 3.722 -2.920 8.401 1.00 0.43 H new ATOM 0 HG11 VAL A 74 2.285 -4.781 9.139 1.00 0.47 H new ATOM 0 HG12 VAL A 74 2.046 -3.326 10.136 1.00 0.47 H new ATOM 0 HG13 VAL A 74 0.846 -3.764 8.896 1.00 0.47 H new ATOM 0 HG21 VAL A 74 2.763 -4.597 6.747 1.00 0.50 H new ATOM 0 HG22 VAL A 74 1.376 -3.513 6.486 1.00 0.50 H new ATOM 0 HG23 VAL A 74 3.006 -3.010 5.979 1.00 0.50 H new ATOM 636 N GLN A 75 3.043 -0.185 9.972 1.00 0.35 N ATOM 637 CA GLN A 75 2.963 0.714 11.120 1.00 0.36 C ATOM 638 C GLN A 75 2.002 1.857 10.810 1.00 0.36 C ATOM 639 O GLN A 75 1.018 2.013 11.517 1.00 0.45 O ATOM 640 CB GLN A 75 4.346 1.264 11.517 1.00 0.46 C ATOM 641 CG GLN A 75 5.261 0.209 12.152 1.00 0.54 C ATOM 642 CD GLN A 75 4.756 -0.357 13.478 1.00 0.93 C ATOM 643 OE1 GLN A 75 3.987 0.247 14.221 1.00 2.05 O ATOM 644 NE2 GLN A 75 5.175 -1.546 13.835 1.00 1.07 N ATOM 0 H GLN A 75 3.993 -0.286 9.615 1.00 0.35 H new ATOM 0 HA GLN A 75 2.588 0.144 11.970 1.00 0.36 H new ATOM 0 HB2 GLN A 75 4.834 1.673 10.632 1.00 0.46 H new ATOM 0 HB3 GLN A 75 4.214 2.089 12.217 1.00 0.46 H new ATOM 0 HG2 GLN A 75 5.390 -0.612 11.447 1.00 0.54 H new ATOM 0 HG3 GLN A 75 6.245 0.650 12.312 1.00 0.54 H new ATOM 0 HE21 GLN A 75 5.814 -2.064 13.232 1.00 1.07 H new ATOM 0 HE22 GLN A 75 4.862 -1.954 14.716 1.00 1.07 H new ATOM 653 N ILE A 76 2.204 2.616 9.729 1.00 0.31 N ATOM 654 CA ILE A 76 1.336 3.767 9.431 1.00 0.29 C ATOM 655 C ILE A 76 -0.128 3.331 9.271 1.00 0.29 C ATOM 656 O ILE A 76 -1.015 3.961 9.843 1.00 0.30 O ATOM 657 CB ILE A 76 1.896 4.547 8.223 1.00 0.27 C ATOM 658 CG1 ILE A 76 3.167 5.293 8.684 1.00 0.30 C ATOM 659 CG2 ILE A 76 0.881 5.554 7.654 1.00 0.29 C ATOM 660 CD1 ILE A 76 4.001 5.832 7.526 1.00 0.31 C ATOM 0 H ILE A 76 2.950 2.460 9.051 1.00 0.31 H new ATOM 0 HA ILE A 76 1.337 4.457 10.274 1.00 0.29 H new ATOM 0 HB ILE A 76 2.120 3.839 7.425 1.00 0.27 H new ATOM 0 HG12 ILE A 76 2.880 6.121 9.332 1.00 0.30 H new ATOM 0 HG13 ILE A 76 3.780 4.618 9.281 1.00 0.30 H new ATOM 0 HG21 ILE A 76 1.323 6.077 6.806 1.00 0.29 H new ATOM 0 HG22 ILE A 76 -0.013 5.024 7.327 1.00 0.29 H new ATOM 0 HG23 ILE A 76 0.613 6.276 8.426 1.00 0.29 H new ATOM 0 HD11 ILE A 76 4.879 6.345 7.918 1.00 0.31 H new ATOM 0 HD12 ILE A 76 4.317 5.005 6.890 1.00 0.31 H new ATOM 0 HD13 ILE A 76 3.403 6.531 6.942 1.00 0.31 H new ATOM 672 N LEU A 77 -0.379 2.212 8.589 1.00 0.30 N ATOM 673 CA LEU A 77 -1.720 1.623 8.483 1.00 0.31 C ATOM 674 C LEU A 77 -2.320 1.237 9.849 1.00 0.34 C ATOM 675 O LEU A 77 -3.359 1.786 10.225 1.00 0.34 O ATOM 676 CB LEU A 77 -1.683 0.449 7.488 1.00 0.33 C ATOM 677 CG LEU A 77 -1.572 0.925 6.026 1.00 0.33 C ATOM 678 CD1 LEU A 77 -1.184 -0.235 5.110 1.00 0.38 C ATOM 679 CD2 LEU A 77 -2.901 1.500 5.528 1.00 0.35 C ATOM 0 H LEU A 77 0.341 1.686 8.093 1.00 0.30 H new ATOM 0 HA LEU A 77 -2.400 2.382 8.096 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -0.837 -0.197 7.723 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.585 -0.152 7.605 1.00 0.33 H new ATOM 0 HG LEU A 77 -0.805 1.699 5.999 1.00 0.33 H new ATOM 0 HD11 LEU A 77 -1.111 0.121 4.083 1.00 0.38 H new ATOM 0 HD12 LEU A 77 -0.222 -0.640 5.423 1.00 0.38 H new ATOM 0 HD13 LEU A 77 -1.943 -1.015 5.170 1.00 0.38 H new ATOM 0 HD21 LEU A 77 -2.791 1.827 4.494 1.00 0.35 H new ATOM 0 HD22 LEU A 77 -3.674 0.733 5.586 1.00 0.35 H new ATOM 0 HD23 LEU A 77 -3.185 2.349 6.149 1.00 0.35 H new ATOM 691 N ARG A 78 -1.679 0.359 10.632 1.00 0.39 N ATOM 692 CA ARG A 78 -2.162 -0.071 11.945 1.00 0.45 C ATOM 693 C ARG A 78 -2.248 1.046 12.998 1.00 0.44 C ATOM 694 O ARG A 78 -3.167 1.033 13.818 1.00 0.48 O ATOM 695 CB ARG A 78 -1.301 -1.267 12.373 1.00 0.57 C ATOM 696 CG ARG A 78 0.029 -0.911 13.062 1.00 0.67 C ATOM 697 CD ARG A 78 0.889 -2.145 13.376 1.00 0.92 C ATOM 698 NE ARG A 78 0.202 -3.030 14.328 1.00 1.61 N ATOM 699 CZ ARG A 78 0.495 -4.264 14.673 1.00 2.39 C ATOM 700 NH1 ARG A 78 1.575 -4.879 14.293 1.00 3.05 N ATOM 701 NH2 ARG A 78 -0.348 -4.902 15.418 1.00 3.42 N ATOM 0 H ARG A 78 -0.797 -0.077 10.364 1.00 0.39 H new ATOM 0 HA ARG A 78 -3.206 -0.372 11.862 1.00 0.45 H new ATOM 0 HB2 ARG A 78 -1.886 -1.890 13.050 1.00 0.57 H new ATOM 0 HB3 ARG A 78 -1.084 -1.870 11.492 1.00 0.57 H new ATOM 0 HG2 ARG A 78 0.594 -0.234 12.422 1.00 0.67 H new ATOM 0 HG3 ARG A 78 -0.179 -0.375 13.988 1.00 0.67 H new ATOM 0 HD2 ARG A 78 1.103 -2.689 12.456 1.00 0.92 H new ATOM 0 HD3 ARG A 78 1.847 -1.831 13.790 1.00 0.92 H new ATOM 0 HE ARG A 78 -0.617 -2.630 14.785 1.00 1.61 H new ATOM 0 HH11 ARG A 78 2.249 -4.402 13.694 1.00 3.05 H new ATOM 0 HH12 ARG A 78 1.748 -5.838 14.593 1.00 3.05 H new ATOM 0 HH21 ARG A 78 -1.209 -4.446 15.719 1.00 3.42 H new ATOM 0 HH22 ARG A 78 -0.152 -5.861 15.704 1.00 3.42 H new ATOM 715 N LEU A 79 -1.380 2.062 12.941 1.00 0.42 N ATOM 716 CA LEU A 79 -1.459 3.275 13.754 1.00 0.43 C ATOM 717 C LEU A 79 -2.728 4.073 13.417 1.00 0.41 C ATOM 718 O LEU A 79 -3.421 4.539 14.317 1.00 0.48 O ATOM 719 CB LEU A 79 -0.208 4.133 13.501 1.00 0.42 C ATOM 720 CG LEU A 79 1.115 3.592 14.086 1.00 0.50 C ATOM 721 CD1 LEU A 79 2.274 4.391 13.484 1.00 0.51 C ATOM 722 CD2 LEU A 79 1.205 3.723 15.602 1.00 0.60 C ATOM 0 H LEU A 79 -0.580 2.060 12.308 1.00 0.42 H new ATOM 0 HA LEU A 79 -1.506 2.997 14.807 1.00 0.43 H new ATOM 0 HB2 LEU A 79 -0.085 4.251 12.424 1.00 0.42 H new ATOM 0 HB3 LEU A 79 -0.384 5.127 13.912 1.00 0.42 H new ATOM 0 HG LEU A 79 1.160 2.531 13.840 1.00 0.50 H new ATOM 0 HD11 LEU A 79 3.218 4.022 13.886 1.00 0.51 H new ATOM 0 HD12 LEU A 79 2.272 4.275 12.400 1.00 0.51 H new ATOM 0 HD13 LEU A 79 2.159 5.445 13.736 1.00 0.51 H new ATOM 0 HD21 LEU A 79 2.159 3.324 15.946 1.00 0.60 H new ATOM 0 HD22 LEU A 79 1.129 4.774 15.882 1.00 0.60 H new ATOM 0 HD23 LEU A 79 0.391 3.165 16.064 1.00 0.60 H new ATOM 734 N HIS A 80 -3.092 4.144 12.134 1.00 0.35 N ATOM 735 CA HIS A 80 -4.371 4.687 11.675 1.00 0.33 C ATOM 736 C HIS A 80 -5.571 3.739 11.889 1.00 0.36 C ATOM 737 O HIS A 80 -6.687 4.100 11.522 1.00 0.38 O ATOM 738 CB HIS A 80 -4.223 5.146 10.214 1.00 0.27 C ATOM 739 CG HIS A 80 -3.619 6.522 10.096 1.00 0.28 C ATOM 740 ND1 HIS A 80 -4.265 7.687 10.418 1.00 0.33 N ATOM 741 CD2 HIS A 80 -2.371 6.875 9.654 1.00 0.27 C ATOM 742 CE1 HIS A 80 -3.452 8.715 10.164 1.00 0.35 C ATOM 743 NE2 HIS A 80 -2.272 8.276 9.684 1.00 0.31 N ATOM 0 H HIS A 80 -2.495 3.820 11.373 1.00 0.35 H new ATOM 0 HA HIS A 80 -4.613 5.548 12.298 1.00 0.33 H new ATOM 0 HB2 HIS A 80 -3.600 4.433 9.674 1.00 0.27 H new ATOM 0 HB3 HIS A 80 -5.202 5.141 9.735 1.00 0.27 H new ATOM 0 HD2 HIS A 80 -1.596 6.193 9.337 1.00 0.27 H new ATOM 0 HE1 HIS A 80 -3.705 9.753 10.321 1.00 0.35 H new ATOM 0 HE2 HIS A 80 -1.473 8.843 9.401 1.00 0.31 H new ATOM 751 N GLY A 81 -5.397 2.571 12.519 1.00 0.40 N ATOM 752 CA GLY A 81 -6.483 1.626 12.814 1.00 0.45 C ATOM 753 C GLY A 81 -6.754 0.586 11.720 1.00 0.46 C ATOM 754 O GLY A 81 -7.760 -0.126 11.792 1.00 0.59 O ATOM 0 H GLY A 81 -4.485 2.250 12.843 1.00 0.40 H new ATOM 0 HA2 GLY A 81 -6.247 1.103 13.741 1.00 0.45 H new ATOM 0 HA3 GLY A 81 -7.398 2.191 12.991 1.00 0.45 H new ATOM 758 N VAL A 82 -5.892 0.498 10.699 1.00 0.40 N ATOM 759 CA VAL A 82 -6.116 -0.296 9.481 1.00 0.40 C ATOM 760 C VAL A 82 -5.269 -1.573 9.462 1.00 0.41 C ATOM 761 O VAL A 82 -4.040 -1.530 9.474 1.00 0.46 O ATOM 762 CB VAL A 82 -5.872 0.552 8.212 1.00 0.38 C ATOM 763 CG1 VAL A 82 -6.252 -0.220 6.940 1.00 0.39 C ATOM 764 CG2 VAL A 82 -6.689 1.853 8.219 1.00 0.41 C ATOM 0 H VAL A 82 -4.998 0.988 10.696 1.00 0.40 H new ATOM 0 HA VAL A 82 -7.161 -0.605 9.488 1.00 0.40 H new ATOM 0 HB VAL A 82 -4.807 0.784 8.215 1.00 0.38 H new ATOM 0 HG11 VAL A 82 -6.068 0.405 6.066 1.00 0.39 H new ATOM 0 HG12 VAL A 82 -5.650 -1.126 6.871 1.00 0.39 H new ATOM 0 HG13 VAL A 82 -7.308 -0.488 6.979 1.00 0.39 H new ATOM 0 HG21 VAL A 82 -6.485 2.416 7.308 1.00 0.41 H new ATOM 0 HG22 VAL A 82 -7.752 1.615 8.268 1.00 0.41 H new ATOM 0 HG23 VAL A 82 -6.411 2.453 9.086 1.00 0.41 H new ATOM 774 N ARG A 83 -5.943 -2.719 9.324 1.00 0.43 N ATOM 775 CA ARG A 83 -5.411 -4.042 8.974 1.00 0.68 C ATOM 776 C ARG A 83 -6.166 -4.633 7.775 1.00 0.84 C ATOM 777 O ARG A 83 -5.881 -5.732 7.308 1.00 1.12 O ATOM 778 CB ARG A 83 -5.364 -4.964 10.196 1.00 0.99 C ATOM 779 CG ARG A 83 -6.604 -4.990 11.095 1.00 1.02 C ATOM 780 CD ARG A 83 -7.822 -5.717 10.508 1.00 2.37 C ATOM 781 NE ARG A 83 -7.595 -7.173 10.418 1.00 3.55 N ATOM 782 CZ ARG A 83 -8.294 -8.050 9.722 1.00 4.94 C ATOM 783 NH1 ARG A 83 -9.319 -7.728 8.991 1.00 5.41 N ATOM 784 NH2 ARG A 83 -7.948 -9.298 9.771 1.00 6.29 N ATOM 0 H ARG A 83 -6.953 -2.749 9.465 1.00 0.43 H new ATOM 0 HA ARG A 83 -4.375 -3.934 8.653 1.00 0.68 H new ATOM 0 HB2 ARG A 83 -5.177 -5.980 9.847 1.00 0.99 H new ATOM 0 HB3 ARG A 83 -4.509 -4.674 10.807 1.00 0.99 H new ATOM 0 HG2 ARG A 83 -6.338 -5.464 12.040 1.00 1.02 H new ATOM 0 HG3 ARG A 83 -6.889 -3.963 11.323 1.00 1.02 H new ATOM 0 HD2 ARG A 83 -8.697 -5.522 11.129 1.00 2.37 H new ATOM 0 HD3 ARG A 83 -8.040 -5.320 9.516 1.00 2.37 H new ATOM 0 HE ARG A 83 -6.810 -7.543 10.954 1.00 3.55 H new ATOM 0 HH11 ARG A 83 -9.620 -6.755 8.935 1.00 5.41 H new ATOM 0 HH12 ARG A 83 -9.823 -8.448 8.473 1.00 5.41 H new ATOM 0 HH21 ARG A 83 -7.151 -9.584 10.339 1.00 6.29 H new ATOM 0 HH22 ARG A 83 -8.473 -9.994 9.242 1.00 6.29 H new ATOM 798 N ASP A 84 -7.114 -3.847 7.263 1.00 0.86 N ATOM 799 CA ASP A 84 -8.117 -4.142 6.243 1.00 1.15 C ATOM 800 C ASP A 84 -7.560 -4.236 4.821 1.00 0.85 C ATOM 801 O ASP A 84 -8.312 -4.279 3.847 1.00 0.94 O ATOM 802 CB ASP A 84 -9.217 -3.058 6.285 1.00 1.85 C ATOM 803 CG ASP A 84 -9.733 -2.683 7.679 1.00 2.59 C ATOM 804 OD1 ASP A 84 -8.939 -2.141 8.490 1.00 3.79 O ATOM 805 OD2 ASP A 84 -10.942 -2.876 7.951 1.00 3.35 O ATOM 0 H ASP A 84 -7.206 -2.885 7.589 1.00 0.86 H new ATOM 0 HA ASP A 84 -8.514 -5.129 6.482 1.00 1.15 H new ATOM 0 HB2 ASP A 84 -8.831 -2.158 5.807 1.00 1.85 H new ATOM 0 HB3 ASP A 84 -10.061 -3.400 5.686 1.00 1.85 H new ATOM 810 N TYR A 85 -6.238 -4.241 4.701 1.00 0.62 N ATOM 811 CA TYR A 85 -5.557 -4.424 3.439 1.00 0.53 C ATOM 812 C TYR A 85 -5.571 -5.872 2.935 1.00 0.57 C ATOM 813 O TYR A 85 -5.777 -6.824 3.692 1.00 0.69 O ATOM 814 CB TYR A 85 -4.119 -3.865 3.497 1.00 0.47 C ATOM 815 CG TYR A 85 -3.282 -4.362 4.653 1.00 0.49 C ATOM 816 CD1 TYR A 85 -2.732 -5.645 4.533 1.00 2.15 C ATOM 817 CD2 TYR A 85 -3.089 -3.611 5.835 1.00 1.67 C ATOM 818 CE1 TYR A 85 -2.038 -6.224 5.610 1.00 2.20 C ATOM 819 CE2 TYR A 85 -2.387 -4.185 6.912 1.00 1.65 C ATOM 820 CZ TYR A 85 -1.890 -5.504 6.815 1.00 0.60 C ATOM 821 OH TYR A 85 -1.313 -6.105 7.887 1.00 0.68 O ATOM 0 H TYR A 85 -5.606 -4.116 5.492 1.00 0.62 H new ATOM 0 HA TYR A 85 -6.125 -3.850 2.707 1.00 0.53 H new ATOM 0 HB2 TYR A 85 -3.611 -4.117 2.566 1.00 0.47 H new ATOM 0 HB3 TYR A 85 -4.171 -2.777 3.548 1.00 0.47 H new ATOM 0 HD1 TYR A 85 -2.842 -6.192 3.608 1.00 2.15 H new ATOM 0 HD2 TYR A 85 -3.477 -2.606 5.911 1.00 1.67 H new ATOM 0 HE1 TYR A 85 -1.620 -7.215 5.516 1.00 2.20 H new ATOM 0 HE2 TYR A 85 -2.228 -3.615 7.815 1.00 1.65 H new ATOM 0 HH TYR A 85 -1.284 -5.476 8.638 1.00 0.68 H new ATOM 831 N ALA A 86 -5.261 -6.023 1.647 1.00 0.53 N ATOM 832 CA ALA A 86 -4.612 -7.230 1.137 1.00 0.46 C ATOM 833 C ALA A 86 -3.137 -6.911 0.844 1.00 0.45 C ATOM 834 O ALA A 86 -2.853 -6.043 0.015 1.00 0.49 O ATOM 835 CB ALA A 86 -5.398 -7.730 -0.078 1.00 0.48 C ATOM 0 H ALA A 86 -5.451 -5.319 0.934 1.00 0.53 H new ATOM 0 HA ALA A 86 -4.615 -8.040 1.866 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -4.926 -8.631 -0.471 1.00 0.48 H new ATOM 0 HB2 ALA A 86 -6.422 -7.957 0.219 1.00 0.48 H new ATOM 0 HB3 ALA A 86 -5.406 -6.959 -0.849 1.00 0.48 H new ATOM 841 N ALA A 87 -2.199 -7.537 1.565 1.00 0.42 N ATOM 842 CA ALA A 87 -0.765 -7.336 1.366 1.00 0.44 C ATOM 843 C ALA A 87 -0.312 -8.239 0.195 1.00 0.54 C ATOM 844 O ALA A 87 -0.146 -9.449 0.363 1.00 0.67 O ATOM 845 CB ALA A 87 0.024 -7.680 2.660 1.00 0.52 C ATOM 0 H ALA A 87 -2.419 -8.201 2.307 1.00 0.42 H new ATOM 0 HA ALA A 87 -0.565 -6.291 1.131 1.00 0.44 H new ATOM 0 HB1 ALA A 87 1.089 -7.523 2.489 1.00 0.52 H new ATOM 0 HB2 ALA A 87 -0.312 -7.036 3.473 1.00 0.52 H new ATOM 0 HB3 ALA A 87 -0.151 -8.722 2.927 1.00 0.52 H new ATOM 851 N TYR A 88 -0.127 -7.686 -1.001 1.00 0.55 N ATOM 852 CA TYR A 88 0.510 -8.355 -2.132 1.00 0.60 C ATOM 853 C TYR A 88 1.970 -8.650 -1.823 1.00 0.42 C ATOM 854 O TYR A 88 2.807 -7.745 -1.701 1.00 0.27 O ATOM 855 CB TYR A 88 0.422 -7.515 -3.411 1.00 0.70 C ATOM 856 CG TYR A 88 -0.929 -7.555 -4.081 1.00 1.04 C ATOM 857 CD1 TYR A 88 -1.969 -6.705 -3.660 1.00 2.05 C ATOM 858 CD2 TYR A 88 -1.125 -8.447 -5.148 1.00 2.24 C ATOM 859 CE1 TYR A 88 -3.214 -6.751 -4.320 1.00 2.25 C ATOM 860 CE2 TYR A 88 -2.366 -8.506 -5.800 1.00 2.49 C ATOM 861 CZ TYR A 88 -3.422 -7.681 -5.363 1.00 1.74 C ATOM 862 OH TYR A 88 -4.643 -7.819 -5.933 1.00 2.05 O ATOM 0 H TYR A 88 -0.424 -6.734 -1.216 1.00 0.55 H new ATOM 0 HA TYR A 88 -0.026 -9.290 -2.297 1.00 0.60 H new ATOM 0 HB2 TYR A 88 0.666 -6.480 -3.171 1.00 0.70 H new ATOM 0 HB3 TYR A 88 1.176 -7.865 -4.116 1.00 0.70 H new ATOM 0 HD1 TYR A 88 -1.814 -6.023 -2.837 1.00 2.05 H new ATOM 0 HD2 TYR A 88 -0.318 -9.090 -5.468 1.00 2.24 H new ATOM 0 HE1 TYR A 88 -4.006 -6.077 -4.029 1.00 2.25 H new ATOM 0 HE2 TYR A 88 -2.511 -9.179 -6.632 1.00 2.49 H new ATOM 0 HH TYR A 88 -5.139 -6.978 -5.851 1.00 2.05 H new ATOM 872 N ASN A 89 2.257 -9.948 -1.765 1.00 0.56 N ATOM 873 CA ASN A 89 3.584 -10.489 -1.587 1.00 0.47 C ATOM 874 C ASN A 89 4.216 -10.744 -2.951 1.00 0.38 C ATOM 875 O ASN A 89 3.994 -11.794 -3.564 1.00 0.44 O ATOM 876 CB ASN A 89 3.476 -11.775 -0.745 1.00 0.66 C ATOM 877 CG ASN A 89 2.876 -11.517 0.619 1.00 2.82 C ATOM 878 OD1 ASN A 89 1.774 -11.926 0.948 1.00 4.86 O ATOM 879 ND2 ASN A 89 3.618 -10.824 1.440 1.00 2.83 N ATOM 0 H ASN A 89 1.541 -10.670 -1.844 1.00 0.56 H new ATOM 0 HA ASN A 89 4.228 -9.786 -1.059 1.00 0.47 H new ATOM 0 HB2 ASN A 89 2.865 -12.505 -1.276 1.00 0.66 H new ATOM 0 HB3 ASN A 89 4.467 -12.214 -0.627 1.00 0.66 H new ATOM 0 HD21 ASN A 89 3.280 -10.614 2.379 1.00 2.83 H new ATOM 0 HD22 ASN A 89 4.536 -10.493 1.142 1.00 2.83 H new ATOM 886 N VAL A 90 5.055 -9.815 -3.424 1.00 0.36 N ATOM 887 CA VAL A 90 5.747 -10.034 -4.717 1.00 0.54 C ATOM 888 C VAL A 90 6.882 -11.076 -4.612 1.00 0.80 C ATOM 889 O VAL A 90 7.465 -11.479 -5.616 1.00 1.16 O ATOM 890 CB VAL A 90 6.170 -8.724 -5.404 1.00 0.70 C ATOM 891 CG1 VAL A 90 5.000 -7.732 -5.445 1.00 0.70 C ATOM 892 CG2 VAL A 90 7.360 -8.044 -4.730 1.00 0.79 C ATOM 0 H VAL A 90 5.272 -8.934 -2.958 1.00 0.36 H new ATOM 0 HA VAL A 90 5.009 -10.475 -5.387 1.00 0.54 H new ATOM 0 HB VAL A 90 6.473 -9.005 -6.413 1.00 0.70 H new ATOM 0 HG11 VAL A 90 5.320 -6.812 -5.935 1.00 0.70 H new ATOM 0 HG12 VAL A 90 4.171 -8.170 -6.001 1.00 0.70 H new ATOM 0 HG13 VAL A 90 4.677 -7.508 -4.428 1.00 0.70 H new ATOM 0 HG21 VAL A 90 7.606 -7.127 -5.265 1.00 0.79 H new ATOM 0 HG22 VAL A 90 7.106 -7.805 -3.697 1.00 0.79 H new ATOM 0 HG23 VAL A 90 8.219 -8.714 -4.746 1.00 0.79 H new ATOM 902 N LEU A 91 7.147 -11.575 -3.395 1.00 0.82 N ATOM 903 CA LEU A 91 7.962 -12.766 -3.121 1.00 1.26 C ATOM 904 C LEU A 91 7.353 -14.050 -3.695 1.00 1.18 C ATOM 905 O LEU A 91 8.084 -14.911 -4.177 1.00 1.34 O ATOM 906 CB LEU A 91 8.135 -12.930 -1.595 1.00 1.64 C ATOM 907 CG LEU A 91 9.026 -11.862 -0.952 1.00 1.66 C ATOM 908 CD1 LEU A 91 9.278 -12.213 0.512 1.00 1.84 C ATOM 909 CD2 LEU A 91 10.390 -11.677 -1.623 1.00 1.93 C ATOM 0 H LEU A 91 6.786 -11.144 -2.544 1.00 0.82 H new ATOM 0 HA LEU A 91 8.924 -12.614 -3.610 1.00 1.26 H new ATOM 0 HB2 LEU A 91 7.153 -12.902 -1.123 1.00 1.64 H new ATOM 0 HB3 LEU A 91 8.559 -13.913 -1.391 1.00 1.64 H new ATOM 0 HG LEU A 91 8.476 -10.928 -1.069 1.00 1.66 H new ATOM 0 HD11 LEU A 91 9.912 -11.451 0.965 1.00 1.84 H new ATOM 0 HD12 LEU A 91 8.328 -12.258 1.044 1.00 1.84 H new ATOM 0 HD13 LEU A 91 9.774 -13.181 0.574 1.00 1.84 H new ATOM 0 HD21 LEU A 91 10.950 -10.902 -1.100 1.00 1.93 H new ATOM 0 HD22 LEU A 91 10.945 -12.614 -1.584 1.00 1.93 H new ATOM 0 HD23 LEU A 91 10.247 -11.383 -2.663 1.00 1.93 H new ATOM 921 N ASP A 92 6.027 -14.167 -3.670 1.00 0.97 N ATOM 922 CA ASP A 92 5.318 -15.362 -4.150 1.00 0.91 C ATOM 923 C ASP A 92 5.244 -15.440 -5.694 1.00 0.71 C ATOM 924 O ASP A 92 5.083 -16.534 -6.241 1.00 0.98 O ATOM 925 CB ASP A 92 3.919 -15.418 -3.497 1.00 1.03 C ATOM 926 CG ASP A 92 3.754 -16.512 -2.430 1.00 1.48 C ATOM 927 OD1 ASP A 92 4.677 -16.749 -1.612 1.00 2.46 O ATOM 928 OD2 ASP A 92 2.659 -17.126 -2.381 1.00 2.16 O ATOM 0 H ASP A 92 5.408 -13.437 -3.317 1.00 0.97 H new ATOM 0 HA ASP A 92 5.888 -16.241 -3.849 1.00 0.91 H new ATOM 0 HB2 ASP A 92 3.706 -14.451 -3.042 1.00 1.03 H new ATOM 0 HB3 ASP A 92 3.174 -15.575 -4.277 1.00 1.03 H new ATOM 933 N ASP A 93 5.366 -14.312 -6.410 1.00 0.57 N ATOM 934 CA ASP A 93 5.079 -14.197 -7.837 1.00 0.63 C ATOM 935 C ASP A 93 6.011 -13.218 -8.597 1.00 0.66 C ATOM 936 O ASP A 93 5.814 -11.996 -8.527 1.00 0.54 O ATOM 937 CB ASP A 93 3.640 -13.700 -7.947 1.00 0.77 C ATOM 938 CG ASP A 93 2.618 -14.801 -7.722 1.00 0.88 C ATOM 939 OD1 ASP A 93 2.572 -15.736 -8.556 1.00 1.68 O ATOM 940 OD2 ASP A 93 1.845 -14.729 -6.739 1.00 1.76 O ATOM 0 H ASP A 93 5.676 -13.433 -5.995 1.00 0.57 H new ATOM 0 HA ASP A 93 5.240 -15.172 -8.298 1.00 0.63 H new ATOM 0 HB2 ASP A 93 3.478 -12.906 -7.218 1.00 0.77 H new ATOM 0 HB3 ASP A 93 3.486 -13.263 -8.934 1.00 0.77 H new ATOM 945 N PRO A 94 6.980 -13.705 -9.397 1.00 0.88 N ATOM 946 CA PRO A 94 7.881 -12.843 -10.169 1.00 1.01 C ATOM 947 C PRO A 94 7.213 -12.184 -11.387 1.00 1.00 C ATOM 948 O PRO A 94 7.654 -11.137 -11.862 1.00 1.03 O ATOM 949 CB PRO A 94 9.016 -13.767 -10.591 1.00 1.45 C ATOM 950 CG PRO A 94 8.331 -15.122 -10.762 1.00 1.48 C ATOM 951 CD PRO A 94 7.323 -15.109 -9.612 1.00 1.13 C ATOM 0 HA PRO A 94 8.217 -11.997 -9.569 1.00 1.01 H new ATOM 0 HB2 PRO A 94 9.481 -13.433 -11.518 1.00 1.45 H new ATOM 0 HB3 PRO A 94 9.802 -13.807 -9.837 1.00 1.45 H new ATOM 0 HG2 PRO A 94 7.843 -15.214 -11.732 1.00 1.48 H new ATOM 0 HG3 PRO A 94 9.035 -15.950 -10.679 1.00 1.48 H new ATOM 0 HD2 PRO A 94 6.438 -15.694 -9.862 1.00 1.13 H new ATOM 0 HD3 PRO A 94 7.752 -15.549 -8.712 1.00 1.13 H new ATOM 959 N GLU A 95 6.125 -12.757 -11.900 1.00 1.10 N ATOM 960 CA GLU A 95 5.277 -12.144 -12.913 1.00 1.35 C ATOM 961 C GLU A 95 4.547 -10.913 -12.368 1.00 1.18 C ATOM 962 O GLU A 95 4.422 -9.900 -13.056 1.00 1.27 O ATOM 963 CB GLU A 95 4.250 -13.190 -13.329 1.00 1.62 C ATOM 964 CG GLU A 95 4.870 -14.402 -14.038 1.00 1.89 C ATOM 965 CD GLU A 95 3.822 -15.432 -14.470 1.00 1.98 C ATOM 966 OE1 GLU A 95 2.765 -15.035 -15.019 1.00 2.42 O ATOM 967 OE2 GLU A 95 4.051 -16.657 -14.282 1.00 3.19 O ATOM 0 H GLU A 95 5.804 -13.682 -11.614 1.00 1.10 H new ATOM 0 HA GLU A 95 5.890 -11.817 -13.753 1.00 1.35 H new ATOM 0 HB2 GLU A 95 3.711 -13.531 -12.445 1.00 1.62 H new ATOM 0 HB3 GLU A 95 3.517 -12.727 -13.990 1.00 1.62 H new ATOM 0 HG2 GLU A 95 5.423 -14.062 -14.914 1.00 1.89 H new ATOM 0 HG3 GLU A 95 5.590 -14.879 -13.372 1.00 1.89 H new ATOM 974 N LEU A 96 4.117 -10.985 -11.107 1.00 0.99 N ATOM 975 CA LEU A 96 3.441 -9.900 -10.398 1.00 0.97 C ATOM 976 C LEU A 96 4.456 -8.810 -10.017 1.00 0.61 C ATOM 977 O LEU A 96 4.182 -7.619 -10.161 1.00 0.67 O ATOM 978 CB LEU A 96 2.737 -10.514 -9.176 1.00 1.23 C ATOM 979 CG LEU A 96 1.436 -9.847 -8.715 1.00 1.24 C ATOM 980 CD1 LEU A 96 0.903 -10.648 -7.529 1.00 1.42 C ATOM 981 CD2 LEU A 96 1.551 -8.388 -8.275 1.00 1.73 C ATOM 0 H LEU A 96 4.233 -11.823 -10.537 1.00 0.99 H new ATOM 0 HA LEU A 96 2.693 -9.414 -11.025 1.00 0.97 H new ATOM 0 HB2 LEU A 96 2.522 -11.559 -9.399 1.00 1.23 H new ATOM 0 HB3 LEU A 96 3.437 -10.504 -8.341 1.00 1.23 H new ATOM 0 HG LEU A 96 0.780 -9.841 -9.586 1.00 1.24 H new ATOM 0 HD11 LEU A 96 -0.025 -10.200 -7.175 1.00 1.42 H new ATOM 0 HD12 LEU A 96 0.714 -11.676 -7.839 1.00 1.42 H new ATOM 0 HD13 LEU A 96 1.639 -10.641 -6.725 1.00 1.42 H new ATOM 0 HD21 LEU A 96 0.571 -8.021 -7.971 1.00 1.73 H new ATOM 0 HD22 LEU A 96 2.242 -8.315 -7.436 1.00 1.73 H new ATOM 0 HD23 LEU A 96 1.922 -7.786 -9.104 1.00 1.73 H new ATOM 993 N ARG A 97 5.670 -9.226 -9.629 1.00 0.40 N ATOM 994 CA ARG A 97 6.844 -8.355 -9.435 1.00 0.41 C ATOM 995 C ARG A 97 7.150 -7.533 -10.691 1.00 0.39 C ATOM 996 O ARG A 97 7.224 -6.312 -10.598 1.00 0.41 O ATOM 997 CB ARG A 97 8.061 -9.196 -9.015 1.00 0.57 C ATOM 998 CG ARG A 97 9.269 -8.336 -8.608 1.00 0.78 C ATOM 999 CD ARG A 97 10.499 -9.211 -8.349 1.00 1.03 C ATOM 1000 NE ARG A 97 11.036 -9.799 -9.589 1.00 1.63 N ATOM 1001 CZ ARG A 97 11.603 -10.980 -9.736 1.00 2.05 C ATOM 1002 NH1 ARG A 97 11.669 -11.870 -8.786 1.00 1.51 N ATOM 1003 NH2 ARG A 97 12.112 -11.296 -10.885 1.00 3.33 N ATOM 0 H ARG A 97 5.871 -10.207 -9.435 1.00 0.40 H new ATOM 0 HA ARG A 97 6.615 -7.648 -8.637 1.00 0.41 H new ATOM 0 HB2 ARG A 97 7.782 -9.839 -8.181 1.00 0.57 H new ATOM 0 HB3 ARG A 97 8.347 -9.849 -9.839 1.00 0.57 H new ATOM 0 HG2 ARG A 97 9.489 -7.615 -9.395 1.00 0.78 H new ATOM 0 HG3 ARG A 97 9.029 -7.765 -7.711 1.00 0.78 H new ATOM 0 HD2 ARG A 97 11.273 -8.613 -7.868 1.00 1.03 H new ATOM 0 HD3 ARG A 97 10.235 -10.009 -7.655 1.00 1.03 H new ATOM 0 HE ARG A 97 10.960 -9.227 -10.430 1.00 1.63 H new ATOM 0 HH11 ARG A 97 11.269 -11.669 -7.870 1.00 1.51 H new ATOM 0 HH12 ARG A 97 12.121 -12.768 -8.959 1.00 1.51 H new ATOM 0 HH21 ARG A 97 12.071 -10.635 -11.660 1.00 3.33 H new ATOM 0 HH22 ARG A 97 12.554 -12.206 -11.014 1.00 3.33 H new ATOM 1017 N GLN A 98 7.260 -8.157 -11.866 1.00 0.46 N ATOM 1018 CA GLN A 98 7.431 -7.397 -13.113 1.00 0.51 C ATOM 1019 C GLN A 98 6.206 -6.533 -13.420 1.00 0.52 C ATOM 1020 O GLN A 98 6.331 -5.360 -13.768 1.00 0.53 O ATOM 1021 CB GLN A 98 7.721 -8.341 -14.288 1.00 0.67 C ATOM 1022 CG GLN A 98 8.315 -7.562 -15.475 1.00 1.12 C ATOM 1023 CD GLN A 98 8.500 -8.425 -16.718 1.00 1.80 C ATOM 1024 OE1 GLN A 98 9.317 -9.339 -16.744 1.00 2.41 O ATOM 1025 NE2 GLN A 98 7.755 -8.180 -17.773 1.00 2.36 N ATOM 0 H GLN A 98 7.235 -9.170 -11.984 1.00 0.46 H new ATOM 0 HA GLN A 98 8.284 -6.732 -12.975 1.00 0.51 H new ATOM 0 HB2 GLN A 98 8.416 -9.120 -13.973 1.00 0.67 H new ATOM 0 HB3 GLN A 98 6.802 -8.839 -14.596 1.00 0.67 H new ATOM 0 HG2 GLN A 98 7.662 -6.723 -15.715 1.00 1.12 H new ATOM 0 HG3 GLN A 98 9.278 -7.143 -15.183 1.00 1.12 H new ATOM 0 HE21 GLN A 98 7.075 -7.420 -17.752 1.00 2.36 H new ATOM 0 HE22 GLN A 98 7.857 -8.750 -18.613 1.00 2.36 H new ATOM 1034 N GLY A 99 5.022 -7.106 -13.214 1.00 0.56 N ATOM 1035 CA GLY A 99 3.746 -6.425 -13.420 1.00 0.67 C ATOM 1036 C GLY A 99 3.646 -5.098 -12.660 1.00 0.64 C ATOM 1037 O GLY A 99 3.160 -4.117 -13.225 1.00 0.73 O ATOM 0 H GLY A 99 4.921 -8.070 -12.895 1.00 0.56 H new ATOM 0 HA2 GLY A 99 3.608 -6.239 -14.485 1.00 0.67 H new ATOM 0 HA3 GLY A 99 2.935 -7.081 -13.103 1.00 0.67 H new ATOM 1041 N ILE A 100 4.159 -5.038 -11.423 1.00 0.58 N ATOM 1042 CA ILE A 100 4.139 -3.852 -10.569 1.00 0.63 C ATOM 1043 C ILE A 100 5.337 -2.920 -10.806 1.00 0.62 C ATOM 1044 O ILE A 100 5.159 -1.701 -10.779 1.00 0.70 O ATOM 1045 CB ILE A 100 3.936 -4.286 -9.119 1.00 0.64 C ATOM 1046 CG1 ILE A 100 3.232 -3.169 -8.354 1.00 0.73 C ATOM 1047 CG2 ILE A 100 5.225 -4.686 -8.383 1.00 0.61 C ATOM 1048 CD1 ILE A 100 1.752 -2.935 -8.685 1.00 0.87 C ATOM 0 H ILE A 100 4.611 -5.838 -10.981 1.00 0.58 H new ATOM 0 HA ILE A 100 3.290 -3.224 -10.840 1.00 0.63 H new ATOM 0 HB ILE A 100 3.327 -5.189 -9.156 1.00 0.64 H new ATOM 0 HG12 ILE A 100 3.313 -3.383 -7.288 1.00 0.73 H new ATOM 0 HG13 ILE A 100 3.772 -2.240 -8.535 1.00 0.73 H new ATOM 0 HG21 ILE A 100 4.984 -4.979 -7.361 1.00 0.61 H new ATOM 0 HG22 ILE A 100 5.694 -5.523 -8.900 1.00 0.61 H new ATOM 0 HG23 ILE A 100 5.912 -3.840 -8.365 1.00 0.61 H new ATOM 0 HD11 ILE A 100 1.368 -2.117 -8.076 1.00 0.87 H new ATOM 0 HD12 ILE A 100 1.651 -2.681 -9.740 1.00 0.87 H new ATOM 0 HD13 ILE A 100 1.184 -3.841 -8.474 1.00 0.87 H new ATOM 1060 N LYS A 101 6.522 -3.464 -11.132 1.00 0.56 N ATOM 1061 CA LYS A 101 7.687 -2.686 -11.601 1.00 0.60 C ATOM 1062 C LYS A 101 7.391 -1.910 -12.884 1.00 0.66 C ATOM 1063 O LYS A 101 7.964 -0.842 -13.109 1.00 0.80 O ATOM 1064 CB LYS A 101 8.891 -3.611 -11.840 1.00 0.58 C ATOM 1065 CG LYS A 101 9.592 -4.043 -10.541 1.00 0.60 C ATOM 1066 CD LYS A 101 10.678 -5.114 -10.748 1.00 0.65 C ATOM 1067 CE LYS A 101 12.050 -4.596 -11.210 1.00 1.24 C ATOM 1068 NZ LYS A 101 12.033 -4.011 -12.571 1.00 2.74 N ATOM 0 H LYS A 101 6.702 -4.466 -11.078 1.00 0.56 H new ATOM 0 HA LYS A 101 7.918 -1.966 -10.816 1.00 0.60 H new ATOM 0 HB2 LYS A 101 8.558 -4.499 -12.378 1.00 0.58 H new ATOM 0 HB3 LYS A 101 9.610 -3.102 -12.481 1.00 0.58 H new ATOM 0 HG2 LYS A 101 10.043 -3.167 -10.074 1.00 0.60 H new ATOM 0 HG3 LYS A 101 8.845 -4.426 -9.846 1.00 0.60 H new ATOM 0 HD2 LYS A 101 10.812 -5.655 -9.811 1.00 0.65 H new ATOM 0 HD3 LYS A 101 10.316 -5.834 -11.482 1.00 0.65 H new ATOM 0 HE2 LYS A 101 12.402 -3.844 -10.504 1.00 1.24 H new ATOM 0 HE3 LYS A 101 12.767 -5.417 -11.185 1.00 1.24 H new ATOM 0 HZ1 LYS A 101 12.980 -4.087 -12.994 1.00 2.74 H new ATOM 0 HZ2 LYS A 101 11.348 -4.525 -13.161 1.00 2.74 H new ATOM 0 HZ3 LYS A 101 11.759 -3.009 -12.515 1.00 2.74 H new ATOM 1082 N ASP A 102 6.477 -2.417 -13.710 1.00 0.63 N ATOM 1083 CA ASP A 102 5.933 -1.682 -14.845 1.00 0.71 C ATOM 1084 C ASP A 102 4.809 -0.718 -14.412 1.00 0.74 C ATOM 1085 O ASP A 102 4.986 0.500 -14.482 1.00 0.74 O ATOM 1086 CB ASP A 102 5.500 -2.682 -15.927 1.00 0.76 C ATOM 1087 CG ASP A 102 5.023 -1.984 -17.198 1.00 0.95 C ATOM 1088 OD1 ASP A 102 5.849 -1.357 -17.895 1.00 1.78 O ATOM 1089 OD2 ASP A 102 3.810 -2.061 -17.505 1.00 2.30 O ATOM 0 H ASP A 102 6.092 -3.356 -13.608 1.00 0.63 H new ATOM 0 HA ASP A 102 6.703 -1.041 -15.274 1.00 0.71 H new ATOM 0 HB2 ASP A 102 6.335 -3.340 -16.167 1.00 0.76 H new ATOM 0 HB3 ASP A 102 4.700 -3.312 -15.538 1.00 0.76 H new ATOM 1094 N TYR A 103 3.696 -1.237 -13.873 1.00 0.80 N ATOM 1095 CA TYR A 103 2.470 -0.489 -13.561 1.00 0.89 C ATOM 1096 C TYR A 103 2.698 0.694 -12.602 1.00 0.95 C ATOM 1097 O TYR A 103 2.338 1.829 -12.926 1.00 1.05 O ATOM 1098 CB TYR A 103 1.480 -1.517 -12.997 1.00 0.93 C ATOM 1099 CG TYR A 103 0.104 -1.028 -12.603 1.00 0.80 C ATOM 1100 CD1 TYR A 103 -0.946 -1.018 -13.541 1.00 2.26 C ATOM 1101 CD2 TYR A 103 -0.153 -0.713 -11.259 1.00 1.72 C ATOM 1102 CE1 TYR A 103 -2.254 -0.668 -13.134 1.00 2.17 C ATOM 1103 CE2 TYR A 103 -1.457 -0.379 -10.853 1.00 1.83 C ATOM 1104 CZ TYR A 103 -2.501 -0.304 -11.793 1.00 0.77 C ATOM 1105 OH TYR A 103 -3.725 0.138 -11.401 1.00 0.83 O ATOM 0 H TYR A 103 3.623 -2.226 -13.634 1.00 0.80 H new ATOM 0 HA TYR A 103 2.080 -0.014 -14.461 1.00 0.89 H new ATOM 0 HB2 TYR A 103 1.356 -2.305 -13.740 1.00 0.93 H new ATOM 0 HB3 TYR A 103 1.937 -1.975 -12.120 1.00 0.93 H new ATOM 0 HD1 TYR A 103 -0.752 -1.278 -14.571 1.00 2.26 H new ATOM 0 HD2 TYR A 103 0.651 -0.727 -10.538 1.00 1.72 H new ATOM 0 HE1 TYR A 103 -3.064 -0.679 -13.849 1.00 2.17 H new ATOM 0 HE2 TYR A 103 -1.659 -0.178 -9.811 1.00 1.83 H new ATOM 0 HH TYR A 103 -3.708 0.341 -10.442 1.00 0.83 H new ATOM 1115 N SER A 104 3.378 0.457 -11.476 1.00 1.02 N ATOM 1116 CA SER A 104 3.781 1.498 -10.517 1.00 1.14 C ATOM 1117 C SER A 104 5.121 2.159 -10.861 1.00 1.11 C ATOM 1118 O SER A 104 5.549 3.043 -10.127 1.00 1.26 O ATOM 1119 CB SER A 104 3.882 0.929 -9.098 1.00 1.29 C ATOM 1120 OG SER A 104 2.666 0.372 -8.639 1.00 2.55 O ATOM 0 H SER A 104 3.671 -0.480 -11.198 1.00 1.02 H new ATOM 0 HA SER A 104 3.001 2.257 -10.576 1.00 1.14 H new ATOM 0 HB2 SER A 104 4.658 0.164 -9.074 1.00 1.29 H new ATOM 0 HB3 SER A 104 4.193 1.721 -8.416 1.00 1.29 H new ATOM 0 HG SER A 104 2.725 0.207 -7.675 1.00 2.55 H new ATOM 1126 N ASN A 105 5.812 1.737 -11.930 1.00 0.99 N ATOM 1127 CA ASN A 105 7.124 2.231 -12.374 1.00 1.05 C ATOM 1128 C ASN A 105 8.311 2.085 -11.388 1.00 1.19 C ATOM 1129 O ASN A 105 9.429 2.475 -11.737 1.00 1.34 O ATOM 1130 CB ASN A 105 6.962 3.681 -12.871 1.00 1.16 C ATOM 1131 CG ASN A 105 8.022 4.060 -13.886 1.00 1.40 C ATOM 1132 OD1 ASN A 105 8.058 3.521 -14.988 1.00 1.74 O ATOM 1133 ND2 ASN A 105 8.905 4.976 -13.569 1.00 1.64 N ATOM 0 H ASN A 105 5.452 1.003 -12.540 1.00 0.99 H new ATOM 0 HA ASN A 105 7.427 1.563 -13.180 1.00 1.05 H new ATOM 0 HB2 ASN A 105 5.975 3.802 -13.317 1.00 1.16 H new ATOM 0 HB3 ASN A 105 7.014 4.362 -12.022 1.00 1.16 H new ATOM 0 HD21 ASN A 105 9.626 5.243 -14.239 1.00 1.64 H new ATOM 0 HD22 ASN A 105 8.871 5.421 -12.652 1.00 1.64 H new ATOM 1140 N TRP A 106 8.117 1.548 -10.177 1.00 1.29 N ATOM 1141 CA TRP A 106 9.164 1.499 -9.151 1.00 1.37 C ATOM 1142 C TRP A 106 9.884 0.153 -9.118 1.00 1.20 C ATOM 1143 O TRP A 106 9.213 -0.878 -9.097 1.00 1.15 O ATOM 1144 CB TRP A 106 8.640 1.815 -7.743 1.00 1.54 C ATOM 1145 CG TRP A 106 9.188 3.101 -7.207 1.00 1.73 C ATOM 1146 CD1 TRP A 106 10.295 3.242 -6.448 1.00 1.49 C ATOM 1147 CD2 TRP A 106 8.728 4.460 -7.465 1.00 2.20 C ATOM 1148 NE1 TRP A 106 10.482 4.572 -6.133 1.00 1.84 N ATOM 1149 CE2 TRP A 106 9.535 5.372 -6.726 1.00 2.30 C ATOM 1150 CE3 TRP A 106 7.737 5.011 -8.296 1.00 2.54 C ATOM 1151 CZ2 TRP A 106 9.310 6.756 -6.743 1.00 2.80 C ATOM 1152 CZ3 TRP A 106 7.490 6.397 -8.317 1.00 3.05 C ATOM 1153 CH2 TRP A 106 8.264 7.271 -7.530 1.00 3.19 C ATOM 0 H TRP A 106 7.232 1.136 -9.882 1.00 1.29 H new ATOM 0 HA TRP A 106 9.871 2.277 -9.441 1.00 1.37 H new ATOM 0 HB2 TRP A 106 7.552 1.868 -7.767 1.00 1.54 H new ATOM 0 HB3 TRP A 106 8.905 1.001 -7.068 1.00 1.54 H new ATOM 0 HD1 TRP A 106 10.939 2.434 -6.134 1.00 1.49 H new ATOM 0 HE1 TRP A 106 11.231 4.919 -5.534 1.00 1.84 H new ATOM 0 HE3 TRP A 106 7.154 4.359 -8.930 1.00 2.54 H new ATOM 0 HZ2 TRP A 106 9.932 7.418 -6.159 1.00 2.80 H new ATOM 0 HZ3 TRP A 106 6.702 6.792 -8.941 1.00 3.05 H new ATOM 0 HH2 TRP A 106 8.056 8.331 -7.531 1.00 3.19 H new ATOM 1164 N PRO A 107 11.218 0.135 -8.965 1.00 1.23 N ATOM 1165 CA PRO A 107 11.969 -1.109 -8.851 1.00 1.14 C ATOM 1166 C PRO A 107 11.635 -1.923 -7.589 1.00 1.13 C ATOM 1167 O PRO A 107 11.655 -3.150 -7.666 1.00 1.02 O ATOM 1168 CB PRO A 107 13.446 -0.689 -8.884 1.00 1.29 C ATOM 1169 CG PRO A 107 13.433 0.767 -8.411 1.00 1.72 C ATOM 1170 CD PRO A 107 12.117 1.279 -8.991 1.00 1.41 C ATOM 0 HA PRO A 107 11.710 -1.785 -9.666 1.00 1.14 H new ATOM 0 HB2 PRO A 107 14.053 -1.315 -8.230 1.00 1.29 H new ATOM 0 HB3 PRO A 107 13.863 -0.778 -9.887 1.00 1.29 H new ATOM 0 HG2 PRO A 107 13.456 0.843 -7.324 1.00 1.72 H new ATOM 0 HG3 PRO A 107 14.290 1.326 -8.788 1.00 1.72 H new ATOM 0 HD2 PRO A 107 11.721 2.105 -8.400 1.00 1.41 H new ATOM 0 HD3 PRO A 107 12.252 1.650 -10.007 1.00 1.41 H new ATOM 1178 N THR A 108 11.368 -1.294 -6.424 1.00 1.29 N ATOM 1179 CA THR A 108 11.320 -2.062 -5.141 1.00 1.33 C ATOM 1180 C THR A 108 10.670 -1.435 -3.897 1.00 1.69 C ATOM 1181 O THR A 108 10.507 -2.086 -2.863 1.00 3.27 O ATOM 1182 CB THR A 108 12.750 -2.540 -4.790 1.00 1.37 C ATOM 1183 OG1 THR A 108 12.800 -3.512 -3.769 1.00 2.87 O ATOM 1184 CG2 THR A 108 13.700 -1.411 -4.398 1.00 1.96 C ATOM 0 H THR A 108 11.187 -0.294 -6.334 1.00 1.29 H new ATOM 0 HA THR A 108 10.621 -2.865 -5.375 1.00 1.33 H new ATOM 0 HB THR A 108 13.081 -2.987 -5.728 1.00 1.37 H new ATOM 0 HG1 THR A 108 12.013 -3.421 -3.192 1.00 2.87 H new ATOM 0 HG21 THR A 108 14.681 -1.825 -4.167 1.00 1.96 H new ATOM 0 HG22 THR A 108 13.789 -0.707 -5.225 1.00 1.96 H new ATOM 0 HG23 THR A 108 13.309 -0.894 -3.522 1.00 1.96 H new ATOM 1192 N ILE A 109 10.256 -0.179 -3.985 1.00 0.90 N ATOM 1193 CA ILE A 109 9.745 0.604 -2.837 1.00 0.93 C ATOM 1194 C ILE A 109 8.317 0.141 -2.483 1.00 0.92 C ATOM 1195 O ILE A 109 7.532 -0.070 -3.414 1.00 1.43 O ATOM 1196 CB ILE A 109 9.775 2.110 -3.191 1.00 1.46 C ATOM 1197 CG1 ILE A 109 11.166 2.779 -3.058 1.00 2.64 C ATOM 1198 CG2 ILE A 109 8.793 2.975 -2.383 1.00 1.44 C ATOM 1199 CD1 ILE A 109 12.383 1.986 -3.543 1.00 3.94 C ATOM 0 H ILE A 109 10.260 0.344 -4.861 1.00 0.90 H new ATOM 0 HA ILE A 109 10.377 0.441 -1.964 1.00 0.93 H new ATOM 0 HB ILE A 109 9.476 2.084 -4.239 1.00 1.46 H new ATOM 0 HG12 ILE A 109 11.139 3.721 -3.605 1.00 2.64 H new ATOM 0 HG13 ILE A 109 11.322 3.024 -2.007 1.00 2.64 H new ATOM 0 HG21 ILE A 109 8.882 4.015 -2.696 1.00 1.44 H new ATOM 0 HG22 ILE A 109 7.774 2.629 -2.558 1.00 1.44 H new ATOM 0 HG23 ILE A 109 9.026 2.895 -1.321 1.00 1.44 H new ATOM 0 HD11 ILE A 109 13.287 2.576 -3.389 1.00 3.94 H new ATOM 0 HD12 ILE A 109 12.458 1.055 -2.982 1.00 3.94 H new ATOM 0 HD13 ILE A 109 12.272 1.762 -4.604 1.00 3.94 H new ATOM 1211 N PRO A 110 7.929 0.017 -1.192 1.00 0.79 N ATOM 1212 CA PRO A 110 6.583 -0.446 -0.848 1.00 0.80 C ATOM 1213 C PRO A 110 5.520 0.564 -1.280 1.00 0.49 C ATOM 1214 O PRO A 110 5.739 1.764 -1.118 1.00 0.55 O ATOM 1215 CB PRO A 110 6.562 -0.649 0.670 1.00 1.24 C ATOM 1216 CG PRO A 110 8.035 -0.774 1.030 1.00 0.68 C ATOM 1217 CD PRO A 110 8.729 0.130 0.026 1.00 0.82 C ATOM 0 HA PRO A 110 6.352 -1.375 -1.369 1.00 0.80 H new ATOM 0 HB2 PRO A 110 6.093 0.192 1.181 1.00 1.24 H new ATOM 0 HB3 PRO A 110 6.003 -1.543 0.948 1.00 1.24 H new ATOM 0 HG2 PRO A 110 8.225 -0.455 2.055 1.00 0.68 H new ATOM 0 HG3 PRO A 110 8.381 -1.804 0.948 1.00 0.68 H new ATOM 0 HD2 PRO A 110 8.767 1.160 0.381 1.00 0.82 H new ATOM 0 HD3 PRO A 110 9.758 -0.186 -0.146 1.00 0.82 H new ATOM 1225 N GLN A 111 4.371 0.111 -1.788 1.00 0.39 N ATOM 1226 CA GLN A 111 3.277 0.998 -2.213 1.00 0.43 C ATOM 1227 C GLN A 111 1.978 0.667 -1.474 1.00 0.34 C ATOM 1228 O GLN A 111 1.806 -0.450 -0.971 1.00 0.33 O ATOM 1229 CB GLN A 111 3.053 0.903 -3.733 1.00 0.64 C ATOM 1230 CG GLN A 111 4.296 1.153 -4.607 1.00 0.81 C ATOM 1231 CD GLN A 111 4.561 -0.020 -5.546 1.00 1.18 C ATOM 1232 OE1 GLN A 111 3.715 -0.417 -6.333 1.00 2.02 O ATOM 1233 NE2 GLN A 111 5.725 -0.624 -5.506 1.00 1.94 N ATOM 0 H GLN A 111 4.170 -0.880 -1.918 1.00 0.39 H new ATOM 0 HA GLN A 111 3.567 2.018 -1.963 1.00 0.43 H new ATOM 0 HB2 GLN A 111 2.663 -0.088 -3.963 1.00 0.64 H new ATOM 0 HB3 GLN A 111 2.283 1.622 -4.014 1.00 0.64 H new ATOM 0 HG2 GLN A 111 4.156 2.063 -5.190 1.00 0.81 H new ATOM 0 HG3 GLN A 111 5.165 1.314 -3.969 1.00 0.81 H new ATOM 0 HE21 GLN A 111 6.443 -0.306 -4.855 1.00 1.94 H new ATOM 0 HE22 GLN A 111 5.912 -1.412 -6.126 1.00 1.94 H new ATOM 1242 N VAL A 112 1.016 1.596 -1.472 1.00 0.36 N ATOM 1243 CA VAL A 112 -0.366 1.278 -1.141 1.00 0.31 C ATOM 1244 C VAL A 112 -1.295 1.951 -2.137 1.00 0.35 C ATOM 1245 O VAL A 112 -1.170 3.142 -2.429 1.00 0.61 O ATOM 1246 CB VAL A 112 -0.678 1.593 0.332 1.00 0.31 C ATOM 1247 CG1 VAL A 112 -0.671 3.078 0.702 1.00 0.35 C ATOM 1248 CG2 VAL A 112 -2.017 0.974 0.739 1.00 0.29 C ATOM 0 H VAL A 112 1.176 2.578 -1.698 1.00 0.36 H new ATOM 0 HA VAL A 112 -0.533 0.205 -1.234 1.00 0.31 H new ATOM 0 HB VAL A 112 0.147 1.147 0.888 1.00 0.31 H new ATOM 0 HG11 VAL A 112 -0.902 3.190 1.761 1.00 0.35 H new ATOM 0 HG12 VAL A 112 0.314 3.499 0.499 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -1.419 3.604 0.110 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -2.223 1.206 1.784 1.00 0.29 H new ATOM 0 HG22 VAL A 112 -2.811 1.382 0.114 1.00 0.29 H new ATOM 0 HG23 VAL A 112 -1.972 -0.107 0.610 1.00 0.29 H new ATOM 1258 N TYR A 113 -2.202 1.152 -2.686 1.00 0.37 N ATOM 1259 CA TYR A 113 -3.340 1.617 -3.461 1.00 0.35 C ATOM 1260 C TYR A 113 -4.576 1.692 -2.563 1.00 0.30 C ATOM 1261 O TYR A 113 -4.917 0.723 -1.877 1.00 0.30 O ATOM 1262 CB TYR A 113 -3.550 0.698 -4.677 1.00 0.40 C ATOM 1263 CG TYR A 113 -2.535 0.903 -5.781 1.00 0.51 C ATOM 1264 CD1 TYR A 113 -1.174 0.616 -5.566 1.00 1.14 C ATOM 1265 CD2 TYR A 113 -2.956 1.378 -7.033 1.00 1.84 C ATOM 1266 CE1 TYR A 113 -0.229 0.852 -6.576 1.00 1.11 C ATOM 1267 CE2 TYR A 113 -2.015 1.621 -8.043 1.00 2.13 C ATOM 1268 CZ TYR A 113 -0.644 1.372 -7.823 1.00 1.15 C ATOM 1269 OH TYR A 113 0.233 1.619 -8.834 1.00 1.57 O ATOM 0 H TYR A 113 -2.163 0.136 -2.601 1.00 0.37 H new ATOM 0 HA TYR A 113 -3.153 2.621 -3.843 1.00 0.35 H new ATOM 0 HB2 TYR A 113 -3.509 -0.340 -4.347 1.00 0.40 H new ATOM 0 HB3 TYR A 113 -4.549 0.866 -5.079 1.00 0.40 H new ATOM 0 HD1 TYR A 113 -0.855 0.211 -4.617 1.00 1.14 H new ATOM 0 HD2 TYR A 113 -4.005 1.556 -7.218 1.00 1.84 H new ATOM 0 HE1 TYR A 113 0.815 0.636 -6.401 1.00 1.11 H new ATOM 0 HE2 TYR A 113 -2.343 2.003 -8.999 1.00 2.13 H new ATOM 0 HH TYR A 113 1.072 1.143 -8.662 1.00 1.57 H new ATOM 1279 N LEU A 114 -5.262 2.834 -2.590 1.00 0.32 N ATOM 1280 CA LEU A 114 -6.567 3.012 -1.950 1.00 0.32 C ATOM 1281 C LEU A 114 -7.636 3.167 -3.025 1.00 0.39 C ATOM 1282 O LEU A 114 -7.467 3.925 -3.982 1.00 0.53 O ATOM 1283 CB LEU A 114 -6.575 4.175 -0.944 1.00 0.34 C ATOM 1284 CG LEU A 114 -6.388 3.733 0.518 1.00 0.33 C ATOM 1285 CD1 LEU A 114 -5.026 3.113 0.775 1.00 0.34 C ATOM 1286 CD2 LEU A 114 -6.592 4.932 1.441 1.00 0.41 C ATOM 0 H LEU A 114 -4.924 3.672 -3.062 1.00 0.32 H new ATOM 0 HA LEU A 114 -6.790 2.123 -1.360 1.00 0.32 H new ATOM 0 HB2 LEU A 114 -5.782 4.875 -1.206 1.00 0.34 H new ATOM 0 HB3 LEU A 114 -7.518 4.714 -1.033 1.00 0.34 H new ATOM 0 HG LEU A 114 -7.132 2.963 0.722 1.00 0.33 H new ATOM 0 HD11 LEU A 114 -4.951 2.821 1.822 1.00 0.34 H new ATOM 0 HD12 LEU A 114 -4.901 2.234 0.143 1.00 0.34 H new ATOM 0 HD13 LEU A 114 -4.246 3.839 0.544 1.00 0.34 H new ATOM 0 HD21 LEU A 114 -6.460 4.620 2.477 1.00 0.41 H new ATOM 0 HD22 LEU A 114 -5.863 5.706 1.199 1.00 0.41 H new ATOM 0 HD23 LEU A 114 -7.599 5.327 1.307 1.00 0.41 H new ATOM 1298 N ASN A 115 -8.740 2.436 -2.862 1.00 0.37 N ATOM 1299 CA ASN A 115 -9.867 2.440 -3.802 1.00 0.42 C ATOM 1300 C ASN A 115 -9.449 2.090 -5.248 1.00 0.40 C ATOM 1301 O ASN A 115 -9.932 2.673 -6.217 1.00 0.49 O ATOM 1302 CB ASN A 115 -10.620 3.777 -3.669 1.00 0.54 C ATOM 1303 CG ASN A 115 -12.087 3.675 -4.021 1.00 0.74 C ATOM 1304 OD1 ASN A 115 -12.550 2.745 -4.667 1.00 0.98 O ATOM 1305 ND2 ASN A 115 -12.884 4.594 -3.550 1.00 0.73 N ATOM 0 H ASN A 115 -8.880 1.816 -2.064 1.00 0.37 H new ATOM 0 HA ASN A 115 -10.557 1.638 -3.540 1.00 0.42 H new ATOM 0 HB2 ASN A 115 -10.523 4.140 -2.646 1.00 0.54 H new ATOM 0 HB3 ASN A 115 -10.149 4.517 -4.316 1.00 0.54 H new ATOM 0 HD21 ASN A 115 -13.888 4.535 -3.721 1.00 0.73 H new ATOM 0 HD22 ASN A 115 -12.503 5.372 -3.011 1.00 0.73 H new ATOM 1312 N GLY A 116 -8.504 1.158 -5.396 1.00 0.40 N ATOM 1313 CA GLY A 116 -7.912 0.771 -6.675 1.00 0.54 C ATOM 1314 C GLY A 116 -6.976 1.786 -7.354 1.00 0.67 C ATOM 1315 O GLY A 116 -6.787 1.673 -8.563 1.00 0.91 O ATOM 0 H GLY A 116 -8.120 0.639 -4.606 1.00 0.40 H new ATOM 0 HA2 GLY A 116 -7.354 -0.153 -6.523 1.00 0.54 H new ATOM 0 HA3 GLY A 116 -8.723 0.544 -7.367 1.00 0.54 H new ATOM 1319 N GLU A 117 -6.426 2.788 -6.655 1.00 0.78 N ATOM 1320 CA GLU A 117 -5.565 3.815 -7.255 1.00 1.00 C ATOM 1321 C GLU A 117 -4.361 4.196 -6.381 1.00 0.76 C ATOM 1322 O GLU A 117 -4.412 4.134 -5.153 1.00 0.51 O ATOM 1323 CB GLU A 117 -6.420 5.028 -7.618 1.00 1.28 C ATOM 1324 CG GLU A 117 -5.626 6.105 -8.326 1.00 1.60 C ATOM 1325 CD GLU A 117 -6.546 7.149 -8.944 1.00 2.05 C ATOM 1326 OE1 GLU A 117 -6.875 8.139 -8.243 1.00 1.82 O ATOM 1327 OE2 GLU A 117 -6.950 6.956 -10.117 1.00 3.13 O ATOM 0 H GLU A 117 -6.567 2.909 -5.652 1.00 0.78 H new ATOM 0 HA GLU A 117 -5.123 3.396 -8.159 1.00 1.00 H new ATOM 0 HB2 GLU A 117 -7.244 4.710 -8.256 1.00 1.28 H new ATOM 0 HB3 GLU A 117 -6.861 5.443 -6.711 1.00 1.28 H new ATOM 0 HG2 GLU A 117 -4.949 6.585 -7.620 1.00 1.60 H new ATOM 0 HG3 GLU A 117 -5.009 5.654 -9.103 1.00 1.60 H new ATOM 1334 N PHE A 118 -3.269 4.580 -7.049 1.00 0.89 N ATOM 1335 CA PHE A 118 -1.988 4.943 -6.451 1.00 0.72 C ATOM 1336 C PHE A 118 -2.046 6.297 -5.754 1.00 0.64 C ATOM 1337 O PHE A 118 -2.723 7.247 -6.160 1.00 0.83 O ATOM 1338 CB PHE A 118 -0.917 4.933 -7.547 1.00 0.78 C ATOM 1339 CG PHE A 118 0.563 4.897 -7.185 1.00 0.84 C ATOM 1340 CD1 PHE A 118 1.083 4.657 -5.888 1.00 1.90 C ATOM 1341 CD2 PHE A 118 1.453 5.067 -8.260 1.00 1.90 C ATOM 1342 CE1 PHE A 118 2.477 4.597 -5.698 1.00 1.99 C ATOM 1343 CE2 PHE A 118 2.843 5.015 -8.064 1.00 1.95 C ATOM 1344 CZ PHE A 118 3.355 4.781 -6.778 1.00 1.12 C ATOM 0 H PHE A 118 -3.257 4.648 -8.067 1.00 0.89 H new ATOM 0 HA PHE A 118 -1.738 4.213 -5.681 1.00 0.72 H new ATOM 0 HB2 PHE A 118 -1.114 4.068 -8.181 1.00 0.78 H new ATOM 0 HB3 PHE A 118 -1.076 5.820 -8.160 1.00 0.78 H new ATOM 0 HD1 PHE A 118 0.414 4.521 -5.051 1.00 1.90 H new ATOM 0 HD2 PHE A 118 1.062 5.240 -9.252 1.00 1.90 H new ATOM 0 HE1 PHE A 118 2.875 4.408 -4.712 1.00 1.99 H new ATOM 0 HE2 PHE A 118 3.514 5.154 -8.898 1.00 1.95 H new ATOM 0 HZ PHE A 118 4.423 4.743 -6.620 1.00 1.12 H new ATOM 1354 N VAL A 119 -1.370 6.284 -4.618 1.00 0.45 N ATOM 1355 CA VAL A 119 -1.766 6.988 -3.412 1.00 0.48 C ATOM 1356 C VAL A 119 -0.556 7.237 -2.523 1.00 0.55 C ATOM 1357 O VAL A 119 -0.446 8.318 -1.948 1.00 0.83 O ATOM 1358 CB VAL A 119 -2.842 6.095 -2.768 1.00 0.70 C ATOM 1359 CG1 VAL A 119 -2.735 5.816 -1.287 1.00 0.67 C ATOM 1360 CG2 VAL A 119 -4.189 6.744 -3.064 1.00 1.61 C ATOM 0 H VAL A 119 -0.499 5.764 -4.507 1.00 0.45 H new ATOM 0 HA VAL A 119 -2.173 7.982 -3.601 1.00 0.48 H new ATOM 0 HB VAL A 119 -2.705 5.108 -3.210 1.00 0.70 H new ATOM 0 HG11 VAL A 119 -3.560 5.175 -0.977 1.00 0.67 H new ATOM 0 HG12 VAL A 119 -1.789 5.316 -1.078 1.00 0.67 H new ATOM 0 HG13 VAL A 119 -2.778 6.755 -0.736 1.00 0.67 H new ATOM 0 HG21 VAL A 119 -4.986 6.144 -2.625 1.00 1.61 H new ATOM 0 HG22 VAL A 119 -4.212 7.746 -2.636 1.00 1.61 H new ATOM 0 HG23 VAL A 119 -4.334 6.807 -4.143 1.00 1.61 H new ATOM 1370 N GLY A 120 0.388 6.288 -2.488 1.00 0.51 N ATOM 1371 CA GLY A 120 1.754 6.593 -2.101 1.00 0.85 C ATOM 1372 C GLY A 120 2.743 5.426 -2.180 1.00 0.50 C ATOM 1373 O GLY A 120 2.350 4.265 -2.033 1.00 0.41 O ATOM 0 H GLY A 120 0.223 5.309 -2.723 1.00 0.51 H new ATOM 0 HA2 GLY A 120 2.121 7.400 -2.736 1.00 0.85 H new ATOM 0 HA3 GLY A 120 1.747 6.971 -1.079 1.00 0.85 H new ATOM 1377 N GLY A 121 4.029 5.741 -2.375 1.00 0.63 N ATOM 1378 CA GLY A 121 5.163 4.868 -2.030 1.00 0.51 C ATOM 1379 C GLY A 121 5.658 5.128 -0.596 1.00 0.43 C ATOM 1380 O GLY A 121 5.286 6.144 -0.004 1.00 0.45 O ATOM 0 H GLY A 121 4.319 6.628 -2.786 1.00 0.63 H new ATOM 0 HA2 GLY A 121 4.864 3.825 -2.129 1.00 0.51 H new ATOM 0 HA3 GLY A 121 5.979 5.034 -2.734 1.00 0.51 H new ATOM 1384 N CYS A 122 6.471 4.246 0.003 1.00 0.40 N ATOM 1385 CA CYS A 122 6.807 4.378 1.428 1.00 0.42 C ATOM 1386 C CYS A 122 7.508 5.703 1.811 1.00 0.48 C ATOM 1387 O CYS A 122 7.184 6.303 2.836 1.00 0.62 O ATOM 1388 CB CYS A 122 7.572 3.136 1.919 1.00 0.51 C ATOM 1389 SG CYS A 122 7.570 3.274 3.728 1.00 0.78 S ATOM 0 H CYS A 122 6.901 3.449 -0.466 1.00 0.40 H new ATOM 0 HA CYS A 122 5.856 4.431 1.959 1.00 0.42 H new ATOM 0 HB2 CYS A 122 7.085 2.217 1.592 1.00 0.51 H new ATOM 0 HB3 CYS A 122 8.588 3.116 1.525 1.00 0.51 H new ATOM 0 HG CYS A 122 7.865 2.121 4.251 1.00 0.78 H new ATOM 1395 N ASP A 123 8.404 6.223 0.970 1.00 0.51 N ATOM 1396 CA ASP A 123 9.106 7.487 1.251 1.00 0.60 C ATOM 1397 C ASP A 123 8.187 8.723 1.191 1.00 0.63 C ATOM 1398 O ASP A 123 8.474 9.741 1.825 1.00 0.77 O ATOM 1399 CB ASP A 123 10.273 7.645 0.274 1.00 0.77 C ATOM 1400 CG ASP A 123 11.163 8.832 0.631 1.00 1.07 C ATOM 1401 OD1 ASP A 123 11.577 8.962 1.805 1.00 2.29 O ATOM 1402 OD2 ASP A 123 11.471 9.651 -0.271 1.00 1.76 O ATOM 0 H ASP A 123 8.665 5.790 0.084 1.00 0.51 H new ATOM 0 HA ASP A 123 9.472 7.432 2.276 1.00 0.60 H new ATOM 0 HB2 ASP A 123 10.870 6.733 0.272 1.00 0.77 H new ATOM 0 HB3 ASP A 123 9.885 7.774 -0.736 1.00 0.77 H new ATOM 1407 N ILE A 124 7.077 8.629 0.455 1.00 0.60 N ATOM 1408 CA ILE A 124 5.976 9.605 0.425 1.00 0.67 C ATOM 1409 C ILE A 124 5.064 9.424 1.638 1.00 0.65 C ATOM 1410 O ILE A 124 4.727 10.394 2.317 1.00 0.73 O ATOM 1411 CB ILE A 124 5.195 9.439 -0.887 1.00 0.69 C ATOM 1412 CG1 ILE A 124 6.070 9.748 -2.111 1.00 0.73 C ATOM 1413 CG2 ILE A 124 3.909 10.282 -0.896 1.00 0.73 C ATOM 1414 CD1 ILE A 124 6.658 11.158 -2.194 1.00 1.40 C ATOM 0 H ILE A 124 6.910 7.837 -0.165 1.00 0.60 H new ATOM 0 HA ILE A 124 6.382 10.616 0.471 1.00 0.67 H new ATOM 0 HB ILE A 124 4.900 8.392 -0.950 1.00 0.69 H new ATOM 0 HG12 ILE A 124 6.893 9.034 -2.130 1.00 0.73 H new ATOM 0 HG13 ILE A 124 5.475 9.573 -3.008 1.00 0.73 H new ATOM 0 HG21 ILE A 124 3.385 10.137 -1.841 1.00 0.73 H new ATOM 0 HG22 ILE A 124 3.265 9.972 -0.073 1.00 0.73 H new ATOM 0 HG23 ILE A 124 4.164 11.336 -0.780 1.00 0.73 H new ATOM 0 HD11 ILE A 124 7.255 11.251 -3.101 1.00 1.40 H new ATOM 0 HD12 ILE A 124 5.849 11.889 -2.215 1.00 1.40 H new ATOM 0 HD13 ILE A 124 7.289 11.341 -1.324 1.00 1.40 H new ATOM 1426 N LEU A 125 4.704 8.179 1.959 1.00 0.54 N ATOM 1427 CA LEU A 125 3.827 7.845 3.087 1.00 0.47 C ATOM 1428 C LEU A 125 4.375 8.379 4.426 1.00 0.51 C ATOM 1429 O LEU A 125 3.607 8.844 5.265 1.00 0.53 O ATOM 1430 CB LEU A 125 3.633 6.314 3.124 1.00 0.35 C ATOM 1431 CG LEU A 125 2.302 5.907 3.778 1.00 0.39 C ATOM 1432 CD1 LEU A 125 1.141 6.047 2.790 1.00 0.49 C ATOM 1433 CD2 LEU A 125 2.330 4.449 4.229 1.00 0.45 C ATOM 0 H LEU A 125 5.018 7.362 1.436 1.00 0.54 H new ATOM 0 HA LEU A 125 2.863 8.332 2.943 1.00 0.47 H new ATOM 0 HB2 LEU A 125 3.670 5.921 2.108 1.00 0.35 H new ATOM 0 HB3 LEU A 125 4.458 5.859 3.672 1.00 0.35 H new ATOM 0 HG LEU A 125 2.164 6.568 4.633 1.00 0.39 H new ATOM 0 HD11 LEU A 125 0.211 5.753 3.277 1.00 0.49 H new ATOM 0 HD12 LEU A 125 1.066 7.083 2.461 1.00 0.49 H new ATOM 0 HD13 LEU A 125 1.318 5.404 1.928 1.00 0.49 H new ATOM 0 HD21 LEU A 125 1.375 4.192 4.687 1.00 0.45 H new ATOM 0 HD22 LEU A 125 2.504 3.805 3.367 1.00 0.45 H new ATOM 0 HD23 LEU A 125 3.131 4.308 4.955 1.00 0.45 H new ATOM 1445 N LEU A 126 5.705 8.395 4.580 1.00 0.59 N ATOM 1446 CA LEU A 126 6.427 8.900 5.760 1.00 0.72 C ATOM 1447 C LEU A 126 6.322 10.435 5.892 1.00 0.85 C ATOM 1448 O LEU A 126 6.465 10.983 6.981 1.00 1.03 O ATOM 1449 CB LEU A 126 7.900 8.428 5.681 1.00 0.80 C ATOM 1450 CG LEU A 126 8.604 8.035 7.001 1.00 0.85 C ATOM 1451 CD1 LEU A 126 8.567 9.099 8.095 1.00 0.88 C ATOM 1452 CD2 LEU A 126 8.022 6.757 7.602 1.00 0.92 C ATOM 0 H LEU A 126 6.335 8.043 3.859 1.00 0.59 H new ATOM 0 HA LEU A 126 5.966 8.493 6.660 1.00 0.72 H new ATOM 0 HB2 LEU A 126 7.941 7.569 5.011 1.00 0.80 H new ATOM 0 HB3 LEU A 126 8.482 9.223 5.215 1.00 0.80 H new ATOM 0 HG LEU A 126 9.640 7.897 6.692 1.00 0.85 H new ATOM 0 HD11 LEU A 126 9.086 8.730 8.979 1.00 0.88 H new ATOM 0 HD12 LEU A 126 9.057 10.005 7.738 1.00 0.88 H new ATOM 0 HD13 LEU A 126 7.531 9.323 8.349 1.00 0.88 H new ATOM 0 HD21 LEU A 126 8.546 6.519 8.527 1.00 0.92 H new ATOM 0 HD22 LEU A 126 6.963 6.904 7.812 1.00 0.92 H new ATOM 0 HD23 LEU A 126 8.141 5.936 6.896 1.00 0.92 H new ATOM 1464 N GLN A 127 6.026 11.146 4.804 1.00 0.83 N ATOM 1465 CA GLN A 127 5.673 12.562 4.827 1.00 0.94 C ATOM 1466 C GLN A 127 4.181 12.738 5.134 1.00 0.87 C ATOM 1467 O GLN A 127 3.797 13.398 6.103 1.00 0.93 O ATOM 1468 CB GLN A 127 6.015 13.177 3.463 1.00 1.04 C ATOM 1469 CG GLN A 127 7.361 12.749 2.870 1.00 1.10 C ATOM 1470 CD GLN A 127 8.528 12.744 3.852 1.00 1.21 C ATOM 1471 OE1 GLN A 127 8.753 13.662 4.639 1.00 1.49 O ATOM 1472 NE2 GLN A 127 9.286 11.671 3.868 1.00 1.08 N ATOM 0 H GLN A 127 6.025 10.745 3.866 1.00 0.83 H new ATOM 0 HA GLN A 127 6.238 13.068 5.610 1.00 0.94 H new ATOM 0 HB2 GLN A 127 5.226 12.916 2.757 1.00 1.04 H new ATOM 0 HB3 GLN A 127 6.009 14.263 3.561 1.00 1.04 H new ATOM 0 HG2 GLN A 127 7.254 11.748 2.451 1.00 1.10 H new ATOM 0 HG3 GLN A 127 7.605 13.416 2.043 1.00 1.10 H new ATOM 0 HE21 GLN A 127 9.103 10.907 3.217 1.00 1.08 H new ATOM 0 HE22 GLN A 127 10.058 11.602 4.531 1.00 1.08 H new ATOM 1481 N MET A 128 3.328 12.077 4.343 1.00 0.75 N ATOM 1482 CA MET A 128 1.882 12.246 4.380 1.00 0.74 C ATOM 1483 C MET A 128 1.251 11.843 5.712 1.00 0.71 C ATOM 1484 O MET A 128 0.262 12.450 6.124 1.00 0.76 O ATOM 1485 CB MET A 128 1.286 11.390 3.274 1.00 0.71 C ATOM 1486 CG MET A 128 1.623 11.890 1.870 1.00 0.73 C ATOM 1487 SD MET A 128 0.674 11.035 0.592 1.00 0.74 S ATOM 1488 CE MET A 128 -0.919 11.807 0.938 1.00 0.83 C ATOM 0 H MET A 128 3.636 11.397 3.647 1.00 0.75 H new ATOM 0 HA MET A 128 1.671 13.307 4.246 1.00 0.74 H new ATOM 0 HB2 MET A 128 1.646 10.367 3.383 1.00 0.71 H new ATOM 0 HB3 MET A 128 0.203 11.361 3.391 1.00 0.71 H new ATOM 0 HG2 MET A 128 1.426 12.960 1.811 1.00 0.73 H new ATOM 0 HG3 MET A 128 2.688 11.751 1.683 1.00 0.73 H new ATOM 0 HE1 MET A 128 -1.644 11.498 0.185 1.00 0.83 H new ATOM 0 HE2 MET A 128 -1.266 11.498 1.924 1.00 0.83 H new ATOM 0 HE3 MET A 128 -0.811 12.891 0.914 1.00 0.83 H new ATOM 1498 N HIS A 129 1.831 10.857 6.400 1.00 0.66 N ATOM 1499 CA HIS A 129 1.428 10.467 7.763 1.00 0.63 C ATOM 1500 C HIS A 129 1.435 11.664 8.700 1.00 0.71 C ATOM 1501 O HIS A 129 0.495 11.927 9.444 1.00 0.66 O ATOM 1502 CB HIS A 129 2.431 9.469 8.339 1.00 0.62 C ATOM 1503 CG HIS A 129 2.037 8.851 9.653 1.00 0.59 C ATOM 1504 ND1 HIS A 129 0.832 8.295 10.026 1.00 0.52 N ATOM 1505 CD2 HIS A 129 2.882 8.721 10.713 1.00 0.69 C ATOM 1506 CE1 HIS A 129 0.983 7.783 11.258 1.00 0.59 C ATOM 1507 NE2 HIS A 129 2.221 8.021 11.728 1.00 0.71 N ATOM 0 H HIS A 129 2.600 10.299 6.028 1.00 0.66 H new ATOM 0 HA HIS A 129 0.428 10.040 7.690 1.00 0.63 H new ATOM 0 HB2 HIS A 129 2.584 8.671 7.612 1.00 0.62 H new ATOM 0 HB3 HIS A 129 3.389 9.973 8.466 1.00 0.62 H new ATOM 0 HD2 HIS A 129 3.894 9.096 10.762 1.00 0.69 H new ATOM 0 HE1 HIS A 129 0.214 7.252 11.799 1.00 0.59 H new ATOM 0 HE2 HIS A 129 2.599 7.748 12.635 1.00 0.71 H new ATOM 1515 N GLN A 130 2.565 12.356 8.649 1.00 0.83 N ATOM 1516 CA GLN A 130 3.058 13.237 9.685 1.00 0.94 C ATOM 1517 C GLN A 130 2.600 14.692 9.443 1.00 1.02 C ATOM 1518 O GLN A 130 2.598 15.530 10.347 1.00 1.18 O ATOM 1519 CB GLN A 130 4.572 13.019 9.745 1.00 1.01 C ATOM 1520 CG GLN A 130 4.964 11.550 9.867 1.00 0.94 C ATOM 1521 CD GLN A 130 6.304 11.368 10.568 1.00 1.01 C ATOM 1522 OE1 GLN A 130 6.381 11.018 11.744 1.00 1.18 O ATOM 1523 NE2 GLN A 130 7.384 11.621 9.866 1.00 0.96 N ATOM 0 H GLN A 130 3.189 12.312 7.843 1.00 0.83 H new ATOM 0 HA GLN A 130 2.643 13.012 10.668 1.00 0.94 H new ATOM 0 HB2 GLN A 130 5.028 13.437 8.848 1.00 1.01 H new ATOM 0 HB3 GLN A 130 4.978 13.568 10.594 1.00 1.01 H new ATOM 0 HG2 GLN A 130 4.192 11.014 10.419 1.00 0.94 H new ATOM 0 HG3 GLN A 130 5.012 11.105 8.873 1.00 0.94 H new ATOM 0 HE21 GLN A 130 7.303 11.910 8.891 1.00 0.96 H new ATOM 0 HE22 GLN A 130 8.305 11.528 10.295 1.00 0.96 H new ATOM 1532 N ASN A 131 2.165 14.976 8.209 1.00 0.98 N ATOM 1533 CA ASN A 131 1.269 16.056 7.838 1.00 1.06 C ATOM 1534 C ASN A 131 -0.216 15.712 8.114 1.00 1.15 C ATOM 1535 O ASN A 131 -0.978 16.590 8.503 1.00 1.34 O ATOM 1536 CB ASN A 131 1.563 16.292 6.370 1.00 1.03 C ATOM 1537 CG ASN A 131 0.825 17.462 5.779 1.00 1.42 C ATOM 1538 OD1 ASN A 131 0.362 18.387 6.433 1.00 2.63 O ATOM 1539 ND2 ASN A 131 0.713 17.450 4.489 1.00 1.24 N ATOM 0 H ASN A 131 2.451 14.420 7.403 1.00 0.98 H new ATOM 0 HA ASN A 131 1.433 16.955 8.432 1.00 1.06 H new ATOM 0 HB2 ASN A 131 2.634 16.451 6.245 1.00 1.03 H new ATOM 0 HB3 ASN A 131 1.307 15.393 5.809 1.00 1.03 H new ATOM 0 HD21 ASN A 131 0.236 18.215 4.011 1.00 1.24 H new ATOM 0 HD22 ASN A 131 1.101 16.676 3.951 1.00 1.24 H new ATOM 1546 N GLY A 132 -0.641 14.445 7.971 1.00 1.05 N ATOM 1547 CA GLY A 132 -2.039 14.027 8.180 1.00 0.98 C ATOM 1548 C GLY A 132 -2.844 13.999 6.877 1.00 0.92 C ATOM 1549 O GLY A 132 -4.068 13.917 6.869 1.00 0.85 O ATOM 0 H GLY A 132 -0.022 13.678 7.706 1.00 1.05 H new ATOM 0 HA2 GLY A 132 -2.055 13.036 8.634 1.00 0.98 H new ATOM 0 HA3 GLY A 132 -2.517 14.708 8.884 1.00 0.98 H new ATOM 1553 N ASP A 133 -2.160 14.017 5.742 1.00 0.99 N ATOM 1554 CA ASP A 133 -2.730 14.009 4.394 1.00 1.01 C ATOM 1555 C ASP A 133 -3.279 12.623 4.001 1.00 0.83 C ATOM 1556 O ASP A 133 -4.021 12.493 3.029 1.00 0.90 O ATOM 1557 CB ASP A 133 -1.619 14.486 3.450 1.00 1.30 C ATOM 1558 CG ASP A 133 -2.092 15.591 2.506 1.00 1.00 C ATOM 1559 OD1 ASP A 133 -2.376 16.713 2.978 1.00 1.89 O ATOM 1560 OD2 ASP A 133 -2.205 15.318 1.286 1.00 1.69 O ATOM 0 H ASP A 133 -1.140 14.039 5.731 1.00 0.99 H new ATOM 0 HA ASP A 133 -3.593 14.672 4.336 1.00 1.01 H new ATOM 0 HB2 ASP A 133 -0.777 14.850 4.039 1.00 1.30 H new ATOM 0 HB3 ASP A 133 -1.256 13.642 2.864 1.00 1.30 H new ATOM 1565 N LEU A 134 -2.954 11.595 4.799 1.00 0.68 N ATOM 1566 CA LEU A 134 -3.497 10.231 4.674 1.00 0.57 C ATOM 1567 C LEU A 134 -4.903 10.138 5.260 1.00 0.53 C ATOM 1568 O LEU A 134 -5.685 9.251 4.939 1.00 0.53 O ATOM 1569 CB LEU A 134 -2.615 9.221 5.433 1.00 0.50 C ATOM 1570 CG LEU A 134 -1.155 9.156 4.983 1.00 0.54 C ATOM 1571 CD1 LEU A 134 -0.411 8.075 5.757 1.00 0.50 C ATOM 1572 CD2 LEU A 134 -1.024 8.859 3.496 1.00 0.58 C ATOM 0 H LEU A 134 -2.291 11.690 5.568 1.00 0.68 H new ATOM 0 HA LEU A 134 -3.519 9.999 3.609 1.00 0.57 H new ATOM 0 HB2 LEU A 134 -2.640 9.469 6.494 1.00 0.50 H new ATOM 0 HB3 LEU A 134 -3.055 8.229 5.327 1.00 0.50 H new ATOM 0 HG LEU A 134 -0.722 10.137 5.182 1.00 0.54 H new ATOM 0 HD11 LEU A 134 0.627 8.040 5.426 1.00 0.50 H new ATOM 0 HD12 LEU A 134 -0.445 8.302 6.823 1.00 0.50 H new ATOM 0 HD13 LEU A 134 -0.882 7.109 5.577 1.00 0.50 H new ATOM 0 HD21 LEU A 134 0.031 8.823 3.224 1.00 0.58 H new ATOM 0 HD22 LEU A 134 -1.489 7.898 3.274 1.00 0.58 H new ATOM 0 HD23 LEU A 134 -1.520 9.643 2.923 1.00 0.58 H new ATOM 1584 N VAL A 135 -5.205 11.059 6.163 1.00 0.53 N ATOM 1585 CA VAL A 135 -6.424 11.088 6.953 1.00 0.44 C ATOM 1586 C VAL A 135 -7.569 11.597 6.085 1.00 0.49 C ATOM 1587 O VAL A 135 -8.662 11.056 6.142 1.00 0.50 O ATOM 1588 CB VAL A 135 -6.164 11.950 8.190 1.00 0.47 C ATOM 1589 CG1 VAL A 135 -7.201 11.708 9.255 1.00 0.42 C ATOM 1590 CG2 VAL A 135 -4.894 11.464 8.885 1.00 0.55 C ATOM 0 H VAL A 135 -4.581 11.838 6.373 1.00 0.53 H new ATOM 0 HA VAL A 135 -6.716 10.096 7.298 1.00 0.44 H new ATOM 0 HB VAL A 135 -6.137 12.982 7.840 1.00 0.47 H new ATOM 0 HG11 VAL A 135 -6.987 12.336 10.120 1.00 0.42 H new ATOM 0 HG12 VAL A 135 -8.188 11.953 8.864 1.00 0.42 H new ATOM 0 HG13 VAL A 135 -7.179 10.660 9.553 1.00 0.42 H new ATOM 0 HG21 VAL A 135 -4.705 12.076 9.767 1.00 0.55 H new ATOM 0 HG22 VAL A 135 -5.019 10.424 9.185 1.00 0.55 H new ATOM 0 HG23 VAL A 135 -4.050 11.545 8.200 1.00 0.55 H new ATOM 1600 N GLU A 136 -7.288 12.537 5.180 1.00 0.54 N ATOM 1601 CA GLU A 136 -8.197 12.933 4.098 1.00 0.59 C ATOM 1602 C GLU A 136 -8.499 11.768 3.152 1.00 0.59 C ATOM 1603 O GLU A 136 -9.657 11.507 2.832 1.00 0.65 O ATOM 1604 CB GLU A 136 -7.517 14.029 3.257 1.00 0.76 C ATOM 1605 CG GLU A 136 -7.337 15.349 3.993 1.00 1.11 C ATOM 1606 CD GLU A 136 -8.680 16.061 4.164 1.00 1.72 C ATOM 1607 OE1 GLU A 136 -9.232 16.570 3.158 1.00 3.11 O ATOM 1608 OE2 GLU A 136 -9.223 16.053 5.294 1.00 1.91 O ATOM 0 H GLU A 136 -6.409 13.054 5.177 1.00 0.54 H new ATOM 0 HA GLU A 136 -9.125 13.276 4.556 1.00 0.59 H new ATOM 0 HB2 GLU A 136 -6.541 13.670 2.931 1.00 0.76 H new ATOM 0 HB3 GLU A 136 -8.109 14.203 2.358 1.00 0.76 H new ATOM 0 HG2 GLU A 136 -6.889 15.168 4.970 1.00 1.11 H new ATOM 0 HG3 GLU A 136 -6.649 15.988 3.440 1.00 1.11 H new ATOM 1615 N GLU A 137 -7.447 11.059 2.741 1.00 0.59 N ATOM 1616 CA GLU A 137 -7.531 9.866 1.883 1.00 0.65 C ATOM 1617 C GLU A 137 -8.377 8.734 2.486 1.00 0.60 C ATOM 1618 O GLU A 137 -9.187 8.132 1.781 1.00 0.68 O ATOM 1619 CB GLU A 137 -6.125 9.351 1.554 1.00 0.72 C ATOM 1620 CG GLU A 137 -5.368 10.170 0.496 1.00 1.98 C ATOM 1621 CD GLU A 137 -6.083 10.268 -0.860 1.00 1.22 C ATOM 1622 OE1 GLU A 137 -6.815 9.341 -1.267 1.00 1.52 O ATOM 1623 OE2 GLU A 137 -5.961 11.309 -1.541 1.00 2.42 O ATOM 0 H GLU A 137 -6.490 11.300 2.998 1.00 0.59 H new ATOM 0 HA GLU A 137 -8.039 10.180 0.971 1.00 0.65 H new ATOM 0 HB2 GLU A 137 -5.536 9.335 2.471 1.00 0.72 H new ATOM 0 HB3 GLU A 137 -6.203 8.320 1.208 1.00 0.72 H new ATOM 0 HG2 GLU A 137 -5.205 11.177 0.881 1.00 1.98 H new ATOM 0 HG3 GLU A 137 -4.385 9.724 0.344 1.00 1.98 H new ATOM 1630 N LEU A 138 -8.232 8.472 3.785 1.00 0.52 N ATOM 1631 CA LEU A 138 -9.100 7.571 4.557 1.00 0.47 C ATOM 1632 C LEU A 138 -10.548 8.093 4.656 1.00 0.51 C ATOM 1633 O LEU A 138 -11.489 7.339 4.391 1.00 0.54 O ATOM 1634 CB LEU A 138 -8.484 7.353 5.955 1.00 0.41 C ATOM 1635 CG LEU A 138 -7.216 6.474 5.964 1.00 0.43 C ATOM 1636 CD1 LEU A 138 -6.546 6.549 7.338 1.00 0.42 C ATOM 1637 CD2 LEU A 138 -7.519 5.004 5.672 1.00 0.44 C ATOM 0 H LEU A 138 -7.490 8.889 4.347 1.00 0.52 H new ATOM 0 HA LEU A 138 -9.160 6.617 4.033 1.00 0.47 H new ATOM 0 HB2 LEU A 138 -8.241 8.324 6.387 1.00 0.41 H new ATOM 0 HB3 LEU A 138 -9.233 6.895 6.601 1.00 0.41 H new ATOM 0 HG LEU A 138 -6.564 6.858 5.179 1.00 0.43 H new ATOM 0 HD11 LEU A 138 -5.651 5.927 7.341 1.00 0.42 H new ATOM 0 HD12 LEU A 138 -6.271 7.582 7.553 1.00 0.42 H new ATOM 0 HD13 LEU A 138 -7.238 6.192 8.100 1.00 0.42 H new ATOM 0 HD21 LEU A 138 -6.592 4.431 5.691 1.00 0.44 H new ATOM 0 HD22 LEU A 138 -8.201 4.616 6.429 1.00 0.44 H new ATOM 0 HD23 LEU A 138 -7.980 4.916 4.688 1.00 0.44 H new ATOM 1649 N LYS A 139 -10.742 9.389 4.948 1.00 0.57 N ATOM 1650 CA LYS A 139 -12.071 10.032 5.022 1.00 0.65 C ATOM 1651 C LYS A 139 -12.822 9.991 3.679 1.00 0.77 C ATOM 1652 O LYS A 139 -14.038 9.802 3.690 1.00 0.81 O ATOM 1653 CB LYS A 139 -11.939 11.470 5.571 1.00 0.80 C ATOM 1654 CG LYS A 139 -11.614 11.537 7.075 1.00 0.84 C ATOM 1655 CD LYS A 139 -11.275 12.962 7.546 1.00 0.81 C ATOM 1656 CE LYS A 139 -10.811 12.952 9.012 1.00 0.89 C ATOM 1657 NZ LYS A 139 -10.337 14.283 9.465 1.00 1.12 N ATOM 0 H LYS A 139 -9.973 10.031 5.142 1.00 0.57 H new ATOM 0 HA LYS A 139 -12.681 9.456 5.718 1.00 0.65 H new ATOM 0 HB2 LYS A 139 -11.157 11.989 5.017 1.00 0.80 H new ATOM 0 HB3 LYS A 139 -12.870 12.006 5.386 1.00 0.80 H new ATOM 0 HG2 LYS A 139 -12.466 11.164 7.644 1.00 0.84 H new ATOM 0 HG3 LYS A 139 -10.773 10.878 7.291 1.00 0.84 H new ATOM 0 HD2 LYS A 139 -10.493 13.383 6.914 1.00 0.81 H new ATOM 0 HD3 LYS A 139 -12.150 13.603 7.440 1.00 0.81 H new ATOM 0 HE2 LYS A 139 -11.634 12.627 9.648 1.00 0.89 H new ATOM 0 HE3 LYS A 139 -10.009 12.224 9.131 1.00 0.89 H new ATOM 0 HZ1 LYS A 139 -10.035 14.224 10.459 1.00 1.12 H new ATOM 0 HZ2 LYS A 139 -9.534 14.584 8.877 1.00 1.12 H new ATOM 0 HZ3 LYS A 139 -11.109 14.975 9.378 1.00 1.12 H new ATOM 1671 N LYS A 140 -12.135 10.040 2.524 1.00 0.87 N ATOM 1672 CA LYS A 140 -12.722 9.837 1.182 1.00 1.01 C ATOM 1673 C LYS A 140 -13.393 8.467 1.036 1.00 0.95 C ATOM 1674 O LYS A 140 -14.464 8.386 0.433 1.00 1.09 O ATOM 1675 CB LYS A 140 -11.642 10.022 0.099 1.00 1.16 C ATOM 1676 CG LYS A 140 -11.256 11.493 -0.131 1.00 1.28 C ATOM 1677 CD LYS A 140 -9.957 11.693 -0.935 1.00 1.50 C ATOM 1678 CE LYS A 140 -9.893 10.905 -2.251 1.00 1.82 C ATOM 1679 NZ LYS A 140 -8.567 11.030 -2.906 1.00 2.09 N ATOM 0 H LYS A 140 -11.133 10.226 2.494 1.00 0.87 H new ATOM 0 HA LYS A 140 -13.501 10.588 1.053 1.00 1.01 H new ATOM 0 HB2 LYS A 140 -10.752 9.460 0.384 1.00 1.16 H new ATOM 0 HB3 LYS A 140 -12.001 9.597 -0.838 1.00 1.16 H new ATOM 0 HG2 LYS A 140 -12.072 11.993 -0.653 1.00 1.28 H new ATOM 0 HG3 LYS A 140 -11.149 11.983 0.837 1.00 1.28 H new ATOM 0 HD2 LYS A 140 -9.842 12.754 -1.156 1.00 1.50 H new ATOM 0 HD3 LYS A 140 -9.111 11.403 -0.312 1.00 1.50 H new ATOM 0 HE2 LYS A 140 -10.104 9.854 -2.055 1.00 1.82 H new ATOM 0 HE3 LYS A 140 -10.668 11.265 -2.928 1.00 1.82 H new ATOM 0 HZ1 LYS A 140 -8.679 10.939 -3.936 1.00 2.09 H new ATOM 0 HZ2 LYS A 140 -8.156 11.959 -2.683 1.00 2.09 H new ATOM 0 HZ3 LYS A 140 -7.936 10.280 -2.559 1.00 2.09 H new ATOM 1693 N LEU A 141 -12.829 7.413 1.638 1.00 0.83 N ATOM 1694 CA LEU A 141 -13.420 6.075 1.679 1.00 0.85 C ATOM 1695 C LEU A 141 -14.525 5.923 2.741 1.00 0.87 C ATOM 1696 O LEU A 141 -15.263 4.934 2.719 1.00 1.10 O ATOM 1697 CB LEU A 141 -12.304 5.038 1.919 1.00 0.72 C ATOM 1698 CG LEU A 141 -11.601 4.443 0.687 1.00 0.67 C ATOM 1699 CD1 LEU A 141 -12.549 3.656 -0.219 1.00 1.29 C ATOM 1700 CD2 LEU A 141 -10.864 5.520 -0.096 1.00 1.46 C ATOM 0 H LEU A 141 -11.931 7.470 2.119 1.00 0.83 H new ATOM 0 HA LEU A 141 -13.903 5.906 0.717 1.00 0.85 H new ATOM 0 HB2 LEU A 141 -11.544 5.503 2.546 1.00 0.72 H new ATOM 0 HB3 LEU A 141 -12.730 4.214 2.492 1.00 0.72 H new ATOM 0 HG LEU A 141 -10.870 3.728 1.064 1.00 0.67 H new ATOM 0 HD11 LEU A 141 -11.995 3.261 -1.070 1.00 1.29 H new ATOM 0 HD12 LEU A 141 -12.988 2.831 0.342 1.00 1.29 H new ATOM 0 HD13 LEU A 141 -13.341 4.314 -0.576 1.00 1.29 H new ATOM 0 HD21 LEU A 141 -10.376 5.071 -0.961 1.00 1.46 H new ATOM 0 HD22 LEU A 141 -11.574 6.276 -0.431 1.00 1.46 H new ATOM 0 HD23 LEU A 141 -10.113 5.985 0.543 1.00 1.46 H new ATOM 1712 N GLY A 142 -14.628 6.860 3.687 1.00 0.73 N ATOM 1713 CA GLY A 142 -15.435 6.722 4.902 1.00 0.68 C ATOM 1714 C GLY A 142 -14.763 5.886 6.003 1.00 0.60 C ATOM 1715 O GLY A 142 -15.462 5.403 6.898 1.00 0.88 O ATOM 0 H GLY A 142 -14.142 7.755 3.628 1.00 0.73 H new ATOM 0 HA2 GLY A 142 -15.654 7.714 5.296 1.00 0.68 H new ATOM 0 HA3 GLY A 142 -16.389 6.264 4.643 1.00 0.68 H new ATOM 1719 N ILE A 143 -13.437 5.679 5.940 1.00 0.49 N ATOM 1720 CA ILE A 143 -12.653 5.009 6.987 1.00 0.47 C ATOM 1721 C ILE A 143 -12.240 6.001 8.076 1.00 0.41 C ATOM 1722 O ILE A 143 -11.695 7.074 7.814 1.00 0.42 O ATOM 1723 CB ILE A 143 -11.407 4.275 6.431 1.00 0.50 C ATOM 1724 CG1 ILE A 143 -11.792 3.256 5.337 1.00 0.63 C ATOM 1725 CG2 ILE A 143 -10.681 3.575 7.603 1.00 0.57 C ATOM 1726 CD1 ILE A 143 -10.601 2.625 4.588 1.00 0.66 C ATOM 0 H ILE A 143 -12.872 5.978 5.146 1.00 0.49 H new ATOM 0 HA ILE A 143 -13.304 4.250 7.420 1.00 0.47 H new ATOM 0 HB ILE A 143 -10.742 5.003 5.966 1.00 0.50 H new ATOM 0 HG12 ILE A 143 -12.378 2.459 5.794 1.00 0.63 H new ATOM 0 HG13 ILE A 143 -12.438 3.751 4.611 1.00 0.63 H new ATOM 0 HG21 ILE A 143 -9.801 3.054 7.226 1.00 0.57 H new ATOM 0 HG22 ILE A 143 -10.375 4.319 8.338 1.00 0.57 H new ATOM 0 HG23 ILE A 143 -11.355 2.858 8.072 1.00 0.57 H new ATOM 0 HD11 ILE A 143 -10.972 1.924 3.840 1.00 0.66 H new ATOM 0 HD12 ILE A 143 -10.024 3.408 4.096 1.00 0.66 H new ATOM 0 HD13 ILE A 143 -9.964 2.096 5.297 1.00 0.66 H new ATOM 1738 N HIS A 144 -12.417 5.572 9.319 1.00 0.49 N ATOM 1739 CA HIS A 144 -11.932 6.257 10.512 1.00 0.53 C ATOM 1740 C HIS A 144 -10.432 6.004 10.729 1.00 0.52 C ATOM 1741 O HIS A 144 -10.015 4.873 10.989 1.00 0.71 O ATOM 1742 CB HIS A 144 -12.772 5.743 11.683 1.00 0.73 C ATOM 1743 CG HIS A 144 -12.846 6.670 12.869 1.00 0.89 C ATOM 1744 ND1 HIS A 144 -13.800 7.641 13.067 1.00 1.22 N ATOM 1745 CD2 HIS A 144 -12.063 6.642 13.993 1.00 0.96 C ATOM 1746 CE1 HIS A 144 -13.616 8.166 14.287 1.00 1.38 C ATOM 1747 NE2 HIS A 144 -12.551 7.608 14.885 1.00 1.19 N ATOM 0 H HIS A 144 -12.918 4.710 9.532 1.00 0.49 H new ATOM 0 HA HIS A 144 -12.037 7.337 10.413 1.00 0.53 H new ATOM 0 HB2 HIS A 144 -13.784 5.551 11.328 1.00 0.73 H new ATOM 0 HB3 HIS A 144 -12.363 4.788 12.012 1.00 0.73 H new ATOM 0 HD2 HIS A 144 -11.218 5.991 14.162 1.00 0.96 H new ATOM 0 HE1 HIS A 144 -14.238 8.931 14.727 1.00 1.38 H new ATOM 0 HE2 HIS A 144 -12.173 7.840 15.803 1.00 1.19 H new ATOM 1755 N SER A 145 -9.612 7.056 10.664 1.00 0.41 N ATOM 1756 CA SER A 145 -8.280 7.063 11.267 1.00 0.40 C ATOM 1757 C SER A 145 -8.394 6.999 12.795 1.00 0.45 C ATOM 1758 O SER A 145 -8.932 7.892 13.418 1.00 0.50 O ATOM 1759 CB SER A 145 -7.549 8.334 10.799 1.00 0.39 C ATOM 1760 OG SER A 145 -6.533 8.730 11.700 1.00 0.41 O ATOM 0 H SER A 145 -9.855 7.927 10.191 1.00 0.41 H new ATOM 0 HA SER A 145 -7.708 6.190 10.953 1.00 0.40 H new ATOM 0 HB2 SER A 145 -7.112 8.158 9.816 1.00 0.39 H new ATOM 0 HB3 SER A 145 -8.269 9.145 10.687 1.00 0.39 H new ATOM 0 HG SER A 145 -5.684 8.316 11.439 1.00 0.41 H new ATOM 1766 N ALA A 146 -7.834 5.986 13.441 1.00 0.52 N ATOM 1767 CA ALA A 146 -7.795 5.838 14.903 1.00 0.57 C ATOM 1768 C ALA A 146 -7.108 7.013 15.644 1.00 0.61 C ATOM 1769 O ALA A 146 -7.257 7.159 16.860 1.00 0.76 O ATOM 1770 CB ALA A 146 -7.108 4.505 15.204 1.00 0.58 C ATOM 0 H ALA A 146 -7.377 5.215 12.953 1.00 0.52 H new ATOM 0 HA ALA A 146 -8.817 5.853 15.280 1.00 0.57 H new ATOM 0 HB1 ALA A 146 -7.059 4.356 16.283 1.00 0.58 H new ATOM 0 HB2 ALA A 146 -7.676 3.692 14.751 1.00 0.58 H new ATOM 0 HB3 ALA A 146 -6.099 4.515 14.793 1.00 0.58 H new ATOM 1776 N LEU A 147 -6.384 7.878 14.920 1.00 0.56 N ATOM 1777 CA LEU A 147 -5.775 9.106 15.394 1.00 0.62 C ATOM 1778 C LEU A 147 -6.765 10.283 15.489 1.00 0.70 C ATOM 1779 O LEU A 147 -6.384 11.365 15.949 1.00 0.79 O ATOM 1780 CB LEU A 147 -4.596 9.400 14.459 1.00 0.56 C ATOM 1781 CG LEU A 147 -3.614 8.241 14.188 1.00 0.57 C ATOM 1782 CD1 LEU A 147 -2.347 8.766 13.518 1.00 0.60 C ATOM 1783 CD2 LEU A 147 -3.201 7.517 15.467 1.00 0.65 C ATOM 0 H LEU A 147 -6.203 7.719 13.929 1.00 0.56 H new ATOM 0 HA LEU A 147 -5.431 8.978 16.420 1.00 0.62 H new ATOM 0 HB2 LEU A 147 -4.997 9.735 13.503 1.00 0.56 H new ATOM 0 HB3 LEU A 147 -4.031 10.233 14.877 1.00 0.56 H new ATOM 0 HG LEU A 147 -4.138 7.540 13.539 1.00 0.57 H new ATOM 0 HD11 LEU A 147 -1.663 7.938 13.333 1.00 0.60 H new ATOM 0 HD12 LEU A 147 -2.606 9.241 12.572 1.00 0.60 H new ATOM 0 HD13 LEU A 147 -1.866 9.495 14.170 1.00 0.60 H new ATOM 0 HD21 LEU A 147 -2.510 6.711 15.222 1.00 0.65 H new ATOM 0 HD22 LEU A 147 -2.713 8.220 16.142 1.00 0.65 H new ATOM 0 HD23 LEU A 147 -4.085 7.102 15.952 1.00 0.65 H new ATOM 1795 N LEU A 148 -8.029 10.076 15.083 1.00 0.75 N ATOM 1796 CA LEU A 148 -9.130 11.037 15.135 1.00 0.83 C ATOM 1797 C LEU A 148 -9.368 11.609 16.541 1.00 0.91 C ATOM 1798 O LEU A 148 -9.855 12.736 16.652 1.00 1.17 O ATOM 1799 CB LEU A 148 -10.433 10.404 14.587 1.00 0.95 C ATOM 1800 CG LEU A 148 -10.810 10.980 13.203 1.00 1.18 C ATOM 1801 CD1 LEU A 148 -10.419 10.064 12.078 1.00 2.13 C ATOM 1802 CD2 LEU A 148 -12.280 11.376 13.075 1.00 2.52 C ATOM 0 H LEU A 148 -8.320 9.182 14.689 1.00 0.75 H new ATOM 0 HA LEU A 148 -8.837 11.874 14.501 1.00 0.83 H new ATOM 0 HB2 LEU A 148 -10.309 9.324 14.510 1.00 0.95 H new ATOM 0 HB3 LEU A 148 -11.247 10.582 15.289 1.00 0.95 H new ATOM 0 HG LEU A 148 -10.228 11.898 13.123 1.00 1.18 H new ATOM 0 HD11 LEU A 148 -10.705 10.513 11.127 1.00 2.13 H new ATOM 0 HD12 LEU A 148 -9.341 9.906 12.095 1.00 2.13 H new ATOM 0 HD13 LEU A 148 -10.927 9.107 12.195 1.00 2.13 H new ATOM 0 HD21 LEU A 148 -12.465 11.771 12.076 1.00 2.52 H new ATOM 0 HD22 LEU A 148 -12.908 10.501 13.241 1.00 2.52 H new ATOM 0 HD23 LEU A 148 -12.517 12.139 13.816 1.00 2.52 H new ATOM 1814 N ASP A 149 -8.954 10.891 17.593 1.00 0.99 N ATOM 1815 CA ASP A 149 -8.950 11.287 19.015 1.00 1.46 C ATOM 1816 C ASP A 149 -7.977 12.440 19.373 1.00 1.88 C ATOM 1817 O ASP A 149 -7.586 12.654 20.521 1.00 2.51 O ATOM 1818 CB ASP A 149 -8.722 10.030 19.868 1.00 2.39 C ATOM 1819 CG ASP A 149 -8.983 10.254 21.358 1.00 3.30 C ATOM 1820 OD1 ASP A 149 -10.111 10.678 21.706 1.00 3.17 O ATOM 1821 OD2 ASP A 149 -8.076 9.985 22.189 1.00 4.51 O ATOM 0 H ASP A 149 -8.585 9.948 17.468 1.00 0.99 H new ATOM 0 HA ASP A 149 -9.925 11.720 19.238 1.00 1.46 H new ATOM 0 HB2 ASP A 149 -9.372 9.233 19.508 1.00 2.39 H new ATOM 0 HB3 ASP A 149 -7.695 9.689 19.733 1.00 2.39 H new ATOM 1826 N GLU A 150 -7.590 13.206 18.364 1.00 2.19 N ATOM 1827 CA GLU A 150 -6.894 14.492 18.420 1.00 3.45 C ATOM 1828 C GLU A 150 -7.707 15.591 19.128 1.00 3.77 C ATOM 1829 O GLU A 150 -8.919 15.755 18.840 1.00 5.04 O ATOM 1830 CB GLU A 150 -6.561 14.837 16.961 1.00 4.62 C ATOM 1831 CG GLU A 150 -5.702 16.089 16.826 1.00 6.13 C ATOM 1832 CD GLU A 150 -5.471 16.474 15.355 1.00 7.81 C ATOM 1833 OE1 GLU A 150 -4.947 15.659 14.553 1.00 8.07 O ATOM 1834 OE2 GLU A 150 -5.844 17.606 14.969 1.00 9.33 O ATOM 0 H GLU A 150 -7.768 12.923 17.400 1.00 2.19 H new ATOM 0 HA GLU A 150 -5.991 14.423 19.026 1.00 3.45 H new ATOM 0 HB2 GLU A 150 -6.041 13.995 16.504 1.00 4.62 H new ATOM 0 HB3 GLU A 150 -7.488 14.978 16.406 1.00 4.62 H new ATOM 0 HG2 GLU A 150 -6.184 16.917 17.346 1.00 6.13 H new ATOM 0 HG3 GLU A 150 -4.741 15.923 17.313 1.00 6.13 H new TER 1841 GLU A 150