USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=22 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 104 SER OG : rot 82:sc= 1.81 USER MOD Set 1.2: A 111 GLN : amide:sc= 1.69 K(o=4.7,f=-0.89) USER MOD Set 1.3: A 113 TYR OH : rot -2:sc= 1.21 USER MOD Set 2.1: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 108 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 80 HIS : no HE2:sc= 0.317 K(o=0.81,f=-10!) USER MOD Set 3.2: A 129 HIS : no HE2:sc= -0.307 K(o=0.81,f=-5.2!) USER MOD Set 3.3: A 145 SER OG : rot 180:sc= 0.799 USER MOD Set 4.1: A 2 SER OG : rot -169:sc= 1.31 USER MOD Set 4.2: A 115 ASN : amide:sc= 0.674 K(o=2,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.00964 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.671 K(o=0.67,f=-0.54) USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= 1.04 (180deg=0.764) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= 1.18 (180deg=0.677) USER MOD Single : A 61 THR OG1 : rot 134:sc= 1.23 USER MOD Single : A 64 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 66 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.9) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.163 USER MOD Single : A 70 SER OG : rot 130:sc=-0.000826 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.337 K(o=-0.34,f=-8.3!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 122 CYS SG : rot 161:sc= -3.08! USER MOD Single : A 127 GLN : amide:sc= 0.732 K(o=0.73,f=-0.033) USER MOD Single : A 128 MET CE :methyl -120:sc= -0.848 (180deg=-0.969) USER MOD Single : A 130 GLN : amide:sc=-0.00223 X(o=-0.0022,f=0) USER MOD Single : A 131 ASN : amide:sc=-0.00503 X(o=-0.005,f=-0.021) USER MOD Single : A 139 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.2) USER MOD Single : A 140 LYS NZ :NH3+ -167:sc= 1.19 (180deg=0.731) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.213 2.553 -4.105 1.00 14.86 N ATOM 2 CA GLY A 1 -18.755 2.752 -4.111 1.00 14.36 C ATOM 3 C GLY A 1 -18.222 2.817 -5.528 1.00 13.27 C ATOM 4 O GLY A 1 -18.820 3.492 -6.364 1.00 13.47 O ATOM 0 H1 GLY A 1 -20.648 3.197 -3.414 1.00 14.86 H new ATOM 0 H2 GLY A 1 -20.594 2.752 -5.052 1.00 14.86 H new ATOM 0 H3 GLY A 1 -20.428 1.569 -3.845 1.00 14.86 H new ATOM 0 HA2 GLY A 1 -18.508 3.673 -3.583 1.00 14.36 H new ATOM 0 HA3 GLY A 1 -18.271 1.937 -3.573 1.00 14.36 H new ATOM 10 N SER A 2 -17.106 2.139 -5.810 1.00 12.45 N ATOM 11 CA SER A 2 -16.292 2.316 -7.031 1.00 11.74 C ATOM 12 C SER A 2 -16.359 1.161 -8.050 1.00 10.82 C ATOM 13 O SER A 2 -15.516 1.089 -8.951 1.00 10.54 O ATOM 14 CB SER A 2 -14.846 2.621 -6.625 1.00 12.23 C ATOM 15 OG SER A 2 -14.308 1.539 -5.888 1.00 12.20 O ATOM 0 H SER A 2 -16.727 1.430 -5.182 1.00 12.45 H new ATOM 0 HA SER A 2 -16.730 3.156 -7.570 1.00 11.74 H new ATOM 0 HB2 SER A 2 -14.241 2.802 -7.514 1.00 12.23 H new ATOM 0 HB3 SER A 2 -14.813 3.531 -6.026 1.00 12.23 H new ATOM 0 HG SER A 2 -13.453 1.807 -5.490 1.00 12.20 H new ATOM 21 N PHE A 3 -17.354 0.271 -7.921 1.00 10.76 N ATOM 22 CA PHE A 3 -17.529 -0.981 -8.683 1.00 10.27 C ATOM 23 C PHE A 3 -16.393 -2.013 -8.511 1.00 9.48 C ATOM 24 O PHE A 3 -15.266 -1.679 -8.137 1.00 9.53 O ATOM 25 CB PHE A 3 -17.884 -0.698 -10.156 1.00 10.74 C ATOM 26 CG PHE A 3 -19.248 -0.058 -10.353 1.00 11.91 C ATOM 27 CD1 PHE A 3 -19.406 1.338 -10.249 1.00 12.80 C ATOM 28 CD2 PHE A 3 -20.371 -0.863 -10.630 1.00 12.50 C ATOM 29 CE1 PHE A 3 -20.678 1.918 -10.404 1.00 14.15 C ATOM 30 CE2 PHE A 3 -21.640 -0.280 -10.789 1.00 13.90 C ATOM 31 CZ PHE A 3 -21.796 1.112 -10.676 1.00 14.67 C ATOM 0 H PHE A 3 -18.103 0.411 -7.243 1.00 10.76 H new ATOM 0 HA PHE A 3 -18.386 -1.481 -8.232 1.00 10.27 H new ATOM 0 HB2 PHE A 3 -17.123 -0.045 -10.583 1.00 10.74 H new ATOM 0 HB3 PHE A 3 -17.850 -1.634 -10.713 1.00 10.74 H new ATOM 0 HD1 PHE A 3 -18.549 1.964 -10.050 1.00 12.80 H new ATOM 0 HD2 PHE A 3 -20.256 -1.933 -10.721 1.00 12.50 H new ATOM 0 HE1 PHE A 3 -20.796 2.988 -10.314 1.00 14.15 H new ATOM 0 HE2 PHE A 3 -22.497 -0.903 -10.998 1.00 13.90 H new ATOM 0 HZ PHE A 3 -22.771 1.560 -10.798 1.00 14.67 H new ATOM 41 N THR A 4 -16.700 -3.295 -8.735 1.00 9.28 N ATOM 42 CA THR A 4 -15.821 -4.441 -8.420 1.00 9.14 C ATOM 43 C THR A 4 -14.858 -4.830 -9.549 1.00 8.26 C ATOM 44 O THR A 4 -14.993 -4.411 -10.702 1.00 7.92 O ATOM 45 CB THR A 4 -16.617 -5.682 -7.964 1.00 9.84 C ATOM 46 OG1 THR A 4 -17.530 -6.117 -8.954 1.00 9.70 O ATOM 47 CG2 THR A 4 -17.413 -5.436 -6.685 1.00 11.03 C ATOM 0 H THR A 4 -17.587 -3.578 -9.151 1.00 9.28 H new ATOM 0 HA THR A 4 -15.209 -4.083 -7.592 1.00 9.14 H new ATOM 0 HB THR A 4 -15.861 -6.446 -7.782 1.00 9.84 H new ATOM 0 HG1 THR A 4 -18.014 -6.905 -8.629 1.00 9.70 H new ATOM 0 HG21 THR A 4 -17.953 -6.343 -6.412 1.00 11.03 H new ATOM 0 HG22 THR A 4 -16.732 -5.163 -5.879 1.00 11.03 H new ATOM 0 HG23 THR A 4 -18.124 -4.626 -6.849 1.00 11.03 H new ATOM 55 N MET A 5 -13.871 -5.660 -9.208 1.00 8.37 N ATOM 56 CA MET A 5 -12.900 -6.281 -10.124 1.00 7.95 C ATOM 57 C MET A 5 -13.451 -7.520 -10.864 1.00 7.45 C ATOM 58 O MET A 5 -14.456 -8.109 -10.447 1.00 7.97 O ATOM 59 CB MET A 5 -11.632 -6.605 -9.316 1.00 9.08 C ATOM 60 CG MET A 5 -11.831 -7.590 -8.163 1.00 10.25 C ATOM 61 SD MET A 5 -12.000 -9.343 -8.605 1.00 10.62 S ATOM 62 CE MET A 5 -12.644 -9.960 -7.028 1.00 12.34 C ATOM 0 H MET A 5 -13.715 -5.934 -8.238 1.00 8.37 H new ATOM 0 HA MET A 5 -12.671 -5.575 -10.922 1.00 7.95 H new ATOM 0 HB2 MET A 5 -10.882 -7.011 -9.994 1.00 9.08 H new ATOM 0 HB3 MET A 5 -11.229 -5.676 -8.914 1.00 9.08 H new ATOM 0 HG2 MET A 5 -10.986 -7.491 -7.482 1.00 10.25 H new ATOM 0 HG3 MET A 5 -12.722 -7.291 -7.611 1.00 10.25 H new ATOM 0 HE1 MET A 5 -12.815 -11.034 -7.100 1.00 12.34 H new ATOM 0 HE2 MET A 5 -11.922 -9.760 -6.237 1.00 12.34 H new ATOM 0 HE3 MET A 5 -13.584 -9.458 -6.797 1.00 12.34 H new ATOM 72 N GLY A 35 -12.785 -7.939 -11.949 1.00 7.04 N ATOM 73 CA GLY A 35 -13.119 -9.168 -12.692 1.00 7.03 C ATOM 74 C GLY A 35 -12.096 -9.678 -13.723 1.00 6.26 C ATOM 75 O GLY A 35 -12.230 -10.813 -14.180 1.00 6.82 O ATOM 0 H GLY A 35 -11.992 -7.432 -12.341 1.00 7.04 H new ATOM 0 HA2 GLY A 35 -13.290 -9.963 -11.966 1.00 7.03 H new ATOM 0 HA3 GLY A 35 -14.063 -9.001 -13.210 1.00 7.03 H new ATOM 79 N ALA A 36 -11.085 -8.889 -14.102 1.00 5.55 N ATOM 80 CA ALA A 36 -10.136 -9.240 -15.166 1.00 5.12 C ATOM 81 C ALA A 36 -9.010 -10.212 -14.740 1.00 5.01 C ATOM 82 O ALA A 36 -8.822 -10.518 -13.556 1.00 5.88 O ATOM 83 CB ALA A 36 -9.572 -7.936 -15.745 1.00 5.52 C ATOM 0 H ALA A 36 -10.900 -7.981 -13.676 1.00 5.55 H new ATOM 0 HA ALA A 36 -10.683 -9.801 -15.924 1.00 5.12 H new ATOM 0 HB1 ALA A 36 -8.862 -8.168 -16.539 1.00 5.52 H new ATOM 0 HB2 ALA A 36 -10.387 -7.335 -16.150 1.00 5.52 H new ATOM 0 HB3 ALA A 36 -9.066 -7.377 -14.958 1.00 5.52 H new ATOM 89 N GLY A 37 -8.235 -10.681 -15.724 1.00 4.50 N ATOM 90 CA GLY A 37 -7.031 -11.507 -15.567 1.00 4.66 C ATOM 91 C GLY A 37 -6.026 -11.336 -16.720 1.00 3.74 C ATOM 92 O GLY A 37 -6.393 -10.877 -17.806 1.00 3.64 O ATOM 0 H GLY A 37 -8.441 -10.485 -16.703 1.00 4.50 H new ATOM 0 HA2 GLY A 37 -6.543 -11.251 -14.627 1.00 4.66 H new ATOM 0 HA3 GLY A 37 -7.323 -12.555 -15.500 1.00 4.66 H new ATOM 96 N GLY A 38 -4.755 -11.682 -16.481 1.00 3.89 N ATOM 97 CA GLY A 38 -3.673 -11.660 -17.480 1.00 3.53 C ATOM 98 C GLY A 38 -2.264 -11.813 -16.879 1.00 3.49 C ATOM 99 O GLY A 38 -2.078 -11.720 -15.664 1.00 4.18 O ATOM 0 H GLY A 38 -4.439 -11.994 -15.563 1.00 3.89 H new ATOM 0 HA2 GLY A 38 -3.839 -12.462 -18.199 1.00 3.53 H new ATOM 0 HA3 GLY A 38 -3.721 -10.722 -18.033 1.00 3.53 H new ATOM 103 N GLY A 39 -1.249 -12.044 -17.717 1.00 3.42 N ATOM 104 CA GLY A 39 0.154 -12.215 -17.309 1.00 3.64 C ATOM 105 C GLY A 39 0.862 -10.888 -17.011 1.00 3.26 C ATOM 106 O GLY A 39 1.521 -10.325 -17.888 1.00 3.61 O ATOM 0 H GLY A 39 -1.381 -12.120 -18.726 1.00 3.42 H new ATOM 0 HA2 GLY A 39 0.193 -12.848 -16.422 1.00 3.64 H new ATOM 0 HA3 GLY A 39 0.694 -12.738 -18.098 1.00 3.64 H new ATOM 110 N GLY A 40 0.681 -10.357 -15.797 1.00 2.97 N ATOM 111 CA GLY A 40 1.329 -9.129 -15.290 1.00 2.88 C ATOM 112 C GLY A 40 0.891 -7.809 -15.941 1.00 2.76 C ATOM 113 O GLY A 40 1.375 -6.730 -15.591 1.00 4.18 O ATOM 0 H GLY A 40 0.057 -10.782 -15.111 1.00 2.97 H new ATOM 0 HA2 GLY A 40 1.141 -9.061 -14.218 1.00 2.88 H new ATOM 0 HA3 GLY A 40 2.406 -9.233 -15.419 1.00 2.88 H new ATOM 117 N SER A 41 -0.062 -7.896 -16.862 1.00 1.52 N ATOM 118 CA SER A 41 -0.592 -6.809 -17.683 1.00 1.32 C ATOM 119 C SER A 41 -1.309 -5.741 -16.866 1.00 1.04 C ATOM 120 O SER A 41 -1.948 -6.033 -15.857 1.00 0.88 O ATOM 121 CB SER A 41 -1.567 -7.370 -18.708 1.00 1.94 C ATOM 122 OG SER A 41 -0.962 -8.392 -19.474 1.00 3.70 O ATOM 0 H SER A 41 -0.516 -8.785 -17.070 1.00 1.52 H new ATOM 0 HA SER A 41 0.264 -6.339 -18.168 1.00 1.32 H new ATOM 0 HB2 SER A 41 -2.448 -7.764 -18.200 1.00 1.94 H new ATOM 0 HB3 SER A 41 -1.909 -6.571 -19.366 1.00 1.94 H new ATOM 0 HG SER A 41 -1.608 -8.739 -20.125 1.00 3.70 H new ATOM 128 N ALA A 42 -1.290 -4.503 -17.341 1.00 1.03 N ATOM 129 CA ALA A 42 -1.929 -3.380 -16.661 1.00 0.88 C ATOM 130 C ALA A 42 -3.427 -3.614 -16.378 1.00 0.85 C ATOM 131 O ALA A 42 -3.874 -3.348 -15.267 1.00 0.83 O ATOM 132 CB ALA A 42 -1.674 -2.123 -17.484 1.00 1.04 C ATOM 0 H ALA A 42 -0.829 -4.246 -18.214 1.00 1.03 H new ATOM 0 HA ALA A 42 -1.488 -3.264 -15.671 1.00 0.88 H new ATOM 0 HB1 ALA A 42 -2.142 -1.268 -16.997 1.00 1.04 H new ATOM 0 HB2 ALA A 42 -0.600 -1.952 -17.564 1.00 1.04 H new ATOM 0 HB3 ALA A 42 -2.097 -2.249 -18.481 1.00 1.04 H new ATOM 138 N GLU A 43 -4.183 -4.224 -17.302 1.00 0.93 N ATOM 139 CA GLU A 43 -5.592 -4.603 -17.079 1.00 0.92 C ATOM 140 C GLU A 43 -5.806 -5.637 -15.946 1.00 0.77 C ATOM 141 O GLU A 43 -6.868 -5.646 -15.319 1.00 0.71 O ATOM 142 CB GLU A 43 -6.242 -5.081 -18.395 1.00 1.13 C ATOM 143 CG GLU A 43 -5.467 -6.165 -19.176 1.00 1.18 C ATOM 144 CD GLU A 43 -4.629 -5.618 -20.347 1.00 1.78 C ATOM 145 OE1 GLU A 43 -4.113 -4.473 -20.256 1.00 2.53 O ATOM 146 OE2 GLU A 43 -4.458 -6.356 -21.349 1.00 2.87 O ATOM 0 H GLU A 43 -3.836 -4.471 -18.229 1.00 0.93 H new ATOM 0 HA GLU A 43 -6.090 -3.696 -16.736 1.00 0.92 H new ATOM 0 HB2 GLU A 43 -7.236 -5.466 -18.168 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -6.376 -4.217 -19.046 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -4.808 -6.693 -18.487 1.00 1.18 H new ATOM 0 HG3 GLU A 43 -6.177 -6.897 -19.562 1.00 1.18 H new ATOM 153 N GLN A 44 -4.797 -6.458 -15.628 1.00 0.74 N ATOM 154 CA GLN A 44 -4.792 -7.379 -14.481 1.00 0.67 C ATOM 155 C GLN A 44 -4.409 -6.648 -13.191 1.00 0.53 C ATOM 156 O GLN A 44 -5.091 -6.796 -12.178 1.00 0.49 O ATOM 157 CB GLN A 44 -3.814 -8.531 -14.772 1.00 0.79 C ATOM 158 CG GLN A 44 -3.371 -9.383 -13.569 1.00 0.83 C ATOM 159 CD GLN A 44 -4.467 -10.249 -12.957 1.00 0.94 C ATOM 160 OE1 GLN A 44 -4.525 -11.457 -13.158 1.00 1.35 O ATOM 161 NE2 GLN A 44 -5.353 -9.674 -12.177 1.00 0.82 N ATOM 0 H GLN A 44 -3.938 -6.502 -16.176 1.00 0.74 H new ATOM 0 HA GLN A 44 -5.794 -7.782 -14.337 1.00 0.67 H new ATOM 0 HB2 GLN A 44 -4.276 -9.192 -15.505 1.00 0.79 H new ATOM 0 HB3 GLN A 44 -2.923 -8.111 -15.238 1.00 0.79 H new ATOM 0 HG2 GLN A 44 -2.550 -10.029 -13.882 1.00 0.83 H new ATOM 0 HG3 GLN A 44 -2.979 -8.720 -12.798 1.00 0.83 H new ATOM 0 HE21 GLN A 44 -5.308 -8.669 -12.008 1.00 0.82 H new ATOM 0 HE22 GLN A 44 -6.087 -10.232 -11.740 1.00 0.82 H new ATOM 170 N LEU A 45 -3.321 -5.875 -13.214 1.00 0.49 N ATOM 171 CA LEU A 45 -2.856 -5.060 -12.084 1.00 0.37 C ATOM 172 C LEU A 45 -3.936 -4.071 -11.611 1.00 0.34 C ATOM 173 O LEU A 45 -4.088 -3.843 -10.416 1.00 0.27 O ATOM 174 CB LEU A 45 -1.592 -4.316 -12.526 1.00 0.38 C ATOM 175 CG LEU A 45 -0.266 -5.108 -12.489 1.00 0.40 C ATOM 176 CD1 LEU A 45 0.376 -5.006 -11.106 1.00 0.38 C ATOM 177 CD2 LEU A 45 -0.364 -6.597 -12.829 1.00 0.64 C ATOM 0 H LEU A 45 -2.723 -5.795 -14.037 1.00 0.49 H new ATOM 0 HA LEU A 45 -2.638 -5.708 -11.235 1.00 0.37 H new ATOM 0 HB2 LEU A 45 -1.746 -3.960 -13.545 1.00 0.38 H new ATOM 0 HB3 LEU A 45 -1.479 -3.435 -11.894 1.00 0.38 H new ATOM 0 HG LEU A 45 0.331 -4.640 -13.272 1.00 0.40 H new ATOM 0 HD11 LEU A 45 1.309 -5.569 -11.096 1.00 0.38 H new ATOM 0 HD12 LEU A 45 0.580 -3.960 -10.876 1.00 0.38 H new ATOM 0 HD13 LEU A 45 -0.303 -5.416 -10.358 1.00 0.38 H new ATOM 0 HD21 LEU A 45 0.626 -7.049 -12.771 1.00 0.64 H new ATOM 0 HD22 LEU A 45 -1.030 -7.089 -12.120 1.00 0.64 H new ATOM 0 HD23 LEU A 45 -0.758 -6.715 -13.838 1.00 0.64 H new ATOM 189 N ASP A 46 -4.751 -3.577 -12.543 1.00 0.45 N ATOM 190 CA ASP A 46 -5.944 -2.758 -12.295 1.00 0.51 C ATOM 191 C ASP A 46 -6.971 -3.496 -11.408 1.00 0.40 C ATOM 192 O ASP A 46 -7.442 -2.993 -10.387 1.00 0.37 O ATOM 193 CB ASP A 46 -6.537 -2.438 -13.679 1.00 0.81 C ATOM 194 CG ASP A 46 -7.670 -1.423 -13.680 1.00 1.06 C ATOM 195 OD1 ASP A 46 -7.340 -0.214 -13.678 1.00 1.77 O ATOM 196 OD2 ASP A 46 -8.858 -1.812 -13.823 1.00 2.44 O ATOM 0 H ASP A 46 -4.593 -3.743 -13.537 1.00 0.45 H new ATOM 0 HA ASP A 46 -5.683 -1.849 -11.753 1.00 0.51 H new ATOM 0 HB2 ASP A 46 -5.738 -2.068 -14.322 1.00 0.81 H new ATOM 0 HB3 ASP A 46 -6.900 -3.364 -14.124 1.00 0.81 H new ATOM 201 N ALA A 47 -7.243 -4.758 -11.741 1.00 0.44 N ATOM 202 CA ALA A 47 -8.198 -5.590 -11.015 1.00 0.45 C ATOM 203 C ALA A 47 -7.605 -5.991 -9.663 1.00 0.43 C ATOM 204 O ALA A 47 -8.331 -6.125 -8.684 1.00 0.53 O ATOM 205 CB ALA A 47 -8.510 -6.816 -11.886 1.00 0.60 C ATOM 0 H ALA A 47 -6.802 -5.234 -12.528 1.00 0.44 H new ATOM 0 HA ALA A 47 -9.123 -5.049 -10.816 1.00 0.45 H new ATOM 0 HB1 ALA A 47 -9.223 -7.458 -11.369 1.00 0.60 H new ATOM 0 HB2 ALA A 47 -8.937 -6.490 -12.834 1.00 0.60 H new ATOM 0 HB3 ALA A 47 -7.591 -7.372 -12.074 1.00 0.60 H new ATOM 211 N LEU A 48 -6.276 -6.112 -9.603 1.00 0.38 N ATOM 212 CA LEU A 48 -5.511 -6.373 -8.393 1.00 0.38 C ATOM 213 C LEU A 48 -5.583 -5.207 -7.392 1.00 0.36 C ATOM 214 O LEU A 48 -5.909 -5.446 -6.232 1.00 0.46 O ATOM 215 CB LEU A 48 -4.080 -6.708 -8.829 1.00 0.37 C ATOM 216 CG LEU A 48 -3.726 -8.197 -8.749 1.00 0.48 C ATOM 217 CD1 LEU A 48 -2.537 -8.496 -9.658 1.00 0.47 C ATOM 218 CD2 LEU A 48 -3.347 -8.565 -7.329 1.00 0.94 C ATOM 0 H LEU A 48 -5.686 -6.027 -10.431 1.00 0.38 H new ATOM 0 HA LEU A 48 -5.934 -7.216 -7.847 1.00 0.38 H new ATOM 0 HB2 LEU A 48 -3.936 -6.367 -9.854 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -3.383 -6.147 -8.206 1.00 0.37 H new ATOM 0 HG LEU A 48 -4.594 -8.776 -9.064 1.00 0.48 H new ATOM 0 HD11 LEU A 48 -2.290 -9.556 -9.597 1.00 0.47 H new ATOM 0 HD12 LEU A 48 -2.792 -8.242 -10.687 1.00 0.47 H new ATOM 0 HD13 LEU A 48 -1.678 -7.904 -9.340 1.00 0.47 H new ATOM 0 HD21 LEU A 48 -3.097 -9.625 -7.282 1.00 0.94 H new ATOM 0 HD22 LEU A 48 -2.485 -7.975 -7.018 1.00 0.94 H new ATOM 0 HD23 LEU A 48 -4.186 -8.360 -6.664 1.00 0.94 H new ATOM 230 N VAL A 49 -5.389 -3.949 -7.812 1.00 0.31 N ATOM 231 CA VAL A 49 -5.655 -2.795 -6.923 1.00 0.38 C ATOM 232 C VAL A 49 -7.141 -2.607 -6.617 1.00 0.43 C ATOM 233 O VAL A 49 -7.470 -1.993 -5.606 1.00 0.58 O ATOM 234 CB VAL A 49 -5.051 -1.469 -7.423 1.00 0.41 C ATOM 235 CG1 VAL A 49 -3.536 -1.493 -7.529 1.00 0.40 C ATOM 236 CG2 VAL A 49 -5.595 -1.016 -8.776 1.00 0.40 C ATOM 0 H VAL A 49 -5.055 -3.700 -8.743 1.00 0.31 H new ATOM 0 HA VAL A 49 -5.143 -3.056 -5.997 1.00 0.38 H new ATOM 0 HB VAL A 49 -5.355 -0.761 -6.652 1.00 0.41 H new ATOM 0 HG11 VAL A 49 -3.181 -0.527 -7.887 1.00 0.40 H new ATOM 0 HG12 VAL A 49 -3.106 -1.697 -6.548 1.00 0.40 H new ATOM 0 HG13 VAL A 49 -3.232 -2.273 -8.228 1.00 0.40 H new ATOM 0 HG21 VAL A 49 -5.123 -0.076 -9.062 1.00 0.40 H new ATOM 0 HG22 VAL A 49 -5.377 -1.774 -9.528 1.00 0.40 H new ATOM 0 HG23 VAL A 49 -6.673 -0.874 -8.705 1.00 0.40 H new ATOM 246 N LYS A 50 -8.047 -3.160 -7.433 1.00 0.35 N ATOM 247 CA LYS A 50 -9.492 -3.148 -7.199 1.00 0.39 C ATOM 248 C LYS A 50 -10.053 -4.329 -6.401 1.00 0.41 C ATOM 249 O LYS A 50 -11.272 -4.433 -6.243 1.00 0.51 O ATOM 250 CB LYS A 50 -10.124 -2.945 -8.573 1.00 0.47 C ATOM 251 CG LYS A 50 -9.918 -1.503 -9.060 1.00 1.39 C ATOM 252 CD LYS A 50 -10.440 -0.361 -8.165 1.00 0.71 C ATOM 253 CE LYS A 50 -11.925 -0.463 -7.776 1.00 1.25 C ATOM 254 NZ LYS A 50 -12.830 -0.449 -8.955 1.00 2.44 N ATOM 0 H LYS A 50 -7.787 -3.639 -8.295 1.00 0.35 H new ATOM 0 HA LYS A 50 -9.752 -2.335 -6.521 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -9.684 -3.641 -9.287 1.00 0.47 H new ATOM 0 HB3 LYS A 50 -11.190 -3.169 -8.525 1.00 0.47 H new ATOM 0 HG2 LYS A 50 -8.849 -1.349 -9.210 1.00 1.39 H new ATOM 0 HG3 LYS A 50 -10.394 -1.408 -10.036 1.00 1.39 H new ATOM 0 HD2 LYS A 50 -9.843 -0.333 -7.254 1.00 0.71 H new ATOM 0 HD3 LYS A 50 -10.280 0.586 -8.681 1.00 0.71 H new ATOM 0 HE2 LYS A 50 -12.086 -1.381 -7.211 1.00 1.25 H new ATOM 0 HE3 LYS A 50 -12.181 0.366 -7.117 1.00 1.25 H new ATOM 0 HZ1 LYS A 50 -13.777 -0.771 -8.670 1.00 2.44 H new ATOM 0 HZ2 LYS A 50 -12.892 0.518 -9.334 1.00 2.44 H new ATOM 0 HZ3 LYS A 50 -12.455 -1.084 -9.688 1.00 2.44 H new ATOM 268 N LYS A 51 -9.197 -5.202 -5.862 1.00 0.41 N ATOM 269 CA LYS A 51 -9.588 -6.285 -4.941 1.00 0.46 C ATOM 270 C LYS A 51 -9.895 -5.835 -3.512 1.00 0.56 C ATOM 271 O LYS A 51 -10.668 -6.512 -2.824 1.00 0.74 O ATOM 272 CB LYS A 51 -8.492 -7.350 -4.962 1.00 0.50 C ATOM 273 CG LYS A 51 -8.741 -8.315 -6.124 1.00 0.82 C ATOM 274 CD LYS A 51 -7.554 -9.228 -6.386 1.00 1.34 C ATOM 275 CE LYS A 51 -7.785 -9.933 -7.730 1.00 0.82 C ATOM 276 NZ LYS A 51 -7.155 -11.271 -7.781 1.00 1.89 N ATOM 0 H LYS A 51 -8.195 -5.180 -6.054 1.00 0.41 H new ATOM 0 HA LYS A 51 -10.535 -6.687 -5.300 1.00 0.46 H new ATOM 0 HB2 LYS A 51 -7.515 -6.879 -5.069 1.00 0.50 H new ATOM 0 HB3 LYS A 51 -8.482 -7.895 -4.018 1.00 0.50 H new ATOM 0 HG2 LYS A 51 -9.621 -8.921 -5.907 1.00 0.82 H new ATOM 0 HG3 LYS A 51 -8.962 -7.744 -7.026 1.00 0.82 H new ATOM 0 HD2 LYS A 51 -6.629 -8.652 -6.412 1.00 1.34 H new ATOM 0 HD3 LYS A 51 -7.452 -9.960 -5.585 1.00 1.34 H new ATOM 0 HE2 LYS A 51 -8.856 -10.032 -7.906 1.00 0.82 H new ATOM 0 HE3 LYS A 51 -7.386 -9.315 -8.534 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 -7.339 -11.706 -8.707 1.00 1.89 H new ATOM 0 HZ2 LYS A 51 -6.129 -11.177 -7.640 1.00 1.89 H new ATOM 0 HZ3 LYS A 51 -7.554 -11.871 -7.031 1.00 1.89 H new ATOM 290 N ASP A 52 -9.331 -4.720 -3.053 1.00 0.52 N ATOM 291 CA ASP A 52 -9.672 -4.122 -1.753 1.00 0.53 C ATOM 292 C ASP A 52 -9.629 -2.592 -1.809 1.00 0.53 C ATOM 293 O ASP A 52 -9.268 -1.993 -2.823 1.00 0.52 O ATOM 294 CB ASP A 52 -8.718 -4.658 -0.665 1.00 0.52 C ATOM 295 CG ASP A 52 -9.418 -4.935 0.668 1.00 0.61 C ATOM 296 OD1 ASP A 52 -9.840 -3.960 1.331 1.00 1.85 O ATOM 297 OD2 ASP A 52 -9.553 -6.121 1.048 1.00 1.42 O ATOM 0 H ASP A 52 -8.622 -4.200 -3.570 1.00 0.52 H new ATOM 0 HA ASP A 52 -10.694 -4.407 -1.503 1.00 0.53 H new ATOM 0 HB2 ASP A 52 -8.251 -5.577 -1.021 1.00 0.52 H new ATOM 0 HB3 ASP A 52 -7.918 -3.935 -0.505 1.00 0.52 H new ATOM 302 N LYS A 53 -9.946 -1.954 -0.683 1.00 0.56 N ATOM 303 CA LYS A 53 -9.776 -0.506 -0.486 1.00 0.57 C ATOM 304 C LYS A 53 -8.434 -0.107 0.095 1.00 0.49 C ATOM 305 O LYS A 53 -8.105 1.071 0.077 1.00 0.54 O ATOM 306 CB LYS A 53 -10.908 0.129 0.311 1.00 0.66 C ATOM 307 CG LYS A 53 -11.881 -0.788 1.037 1.00 0.88 C ATOM 308 CD LYS A 53 -11.364 -1.200 2.418 1.00 0.79 C ATOM 309 CE LYS A 53 -12.290 -2.176 3.148 1.00 1.00 C ATOM 310 NZ LYS A 53 -12.397 -3.479 2.452 1.00 1.54 N ATOM 0 H LYS A 53 -10.334 -2.430 0.132 1.00 0.56 H new ATOM 0 HA LYS A 53 -9.811 -0.107 -1.500 1.00 0.57 H new ATOM 0 HB2 LYS A 53 -10.462 0.793 1.051 1.00 0.66 H new ATOM 0 HB3 LYS A 53 -11.485 0.753 -0.371 1.00 0.66 H new ATOM 0 HG2 LYS A 53 -12.841 -0.284 1.146 1.00 0.88 H new ATOM 0 HG3 LYS A 53 -12.056 -1.680 0.435 1.00 0.88 H new ATOM 0 HD2 LYS A 53 -10.381 -1.657 2.308 1.00 0.79 H new ATOM 0 HD3 LYS A 53 -11.234 -0.308 3.030 1.00 0.79 H new ATOM 0 HE2 LYS A 53 -11.919 -2.337 4.160 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -13.282 -1.733 3.239 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -12.655 -4.218 3.137 1.00 1.54 H new ATOM 0 HZ2 LYS A 53 -13.128 -3.420 1.715 1.00 1.54 H new ATOM 0 HZ3 LYS A 53 -11.483 -3.715 2.015 1.00 1.54 H new ATOM 324 N VAL A 54 -7.686 -1.079 0.603 1.00 0.42 N ATOM 325 CA VAL A 54 -6.356 -0.908 1.191 1.00 0.41 C ATOM 326 C VAL A 54 -5.536 -2.069 0.686 1.00 0.44 C ATOM 327 O VAL A 54 -5.417 -3.133 1.306 1.00 0.69 O ATOM 328 CB VAL A 54 -6.329 -0.844 2.730 1.00 0.35 C ATOM 329 CG1 VAL A 54 -5.290 0.180 3.184 1.00 0.40 C ATOM 330 CG2 VAL A 54 -7.677 -0.493 3.336 1.00 0.39 C ATOM 0 H VAL A 54 -7.999 -2.050 0.619 1.00 0.42 H new ATOM 0 HA VAL A 54 -5.958 0.061 0.890 1.00 0.41 H new ATOM 0 HB VAL A 54 -6.068 -1.842 3.082 1.00 0.35 H new ATOM 0 HG11 VAL A 54 -5.273 0.223 4.273 1.00 0.40 H new ATOM 0 HG12 VAL A 54 -4.306 -0.113 2.817 1.00 0.40 H new ATOM 0 HG13 VAL A 54 -5.548 1.161 2.786 1.00 0.40 H new ATOM 0 HG21 VAL A 54 -7.591 -0.464 4.422 1.00 0.39 H new ATOM 0 HG22 VAL A 54 -7.997 0.483 2.971 1.00 0.39 H new ATOM 0 HG23 VAL A 54 -8.412 -1.246 3.050 1.00 0.39 H new ATOM 340 N VAL A 55 -5.056 -1.880 -0.530 1.00 0.31 N ATOM 341 CA VAL A 55 -4.233 -2.896 -1.161 1.00 0.30 C ATOM 342 C VAL A 55 -2.787 -2.459 -0.994 1.00 0.30 C ATOM 343 O VAL A 55 -2.371 -1.424 -1.521 1.00 0.30 O ATOM 344 CB VAL A 55 -4.673 -3.164 -2.613 1.00 0.34 C ATOM 345 CG1 VAL A 55 -4.237 -4.572 -2.973 1.00 0.85 C ATOM 346 CG2 VAL A 55 -6.189 -3.250 -2.802 1.00 0.91 C ATOM 0 H VAL A 55 -5.218 -1.045 -1.093 1.00 0.31 H new ATOM 0 HA VAL A 55 -4.351 -3.869 -0.685 1.00 0.30 H new ATOM 0 HB VAL A 55 -4.252 -2.347 -3.199 1.00 0.34 H new ATOM 0 HG11 VAL A 55 -4.534 -4.794 -3.998 1.00 0.85 H new ATOM 0 HG12 VAL A 55 -3.154 -4.651 -2.884 1.00 0.85 H new ATOM 0 HG13 VAL A 55 -4.710 -5.284 -2.296 1.00 0.85 H new ATOM 0 HG21 VAL A 55 -6.415 -3.440 -3.851 1.00 0.91 H new ATOM 0 HG22 VAL A 55 -6.586 -4.062 -2.192 1.00 0.91 H new ATOM 0 HG23 VAL A 55 -6.648 -2.309 -2.497 1.00 0.91 H new ATOM 356 N VAL A 56 -2.043 -3.236 -0.209 1.00 0.35 N ATOM 357 CA VAL A 56 -0.651 -2.978 0.174 1.00 0.32 C ATOM 358 C VAL A 56 0.248 -3.914 -0.595 1.00 0.32 C ATOM 359 O VAL A 56 -0.164 -4.996 -0.985 1.00 0.35 O ATOM 360 CB VAL A 56 -0.445 -3.111 1.692 1.00 0.30 C ATOM 361 CG1 VAL A 56 0.898 -2.635 2.203 1.00 0.37 C ATOM 362 CG2 VAL A 56 -1.412 -2.188 2.416 1.00 0.34 C ATOM 0 H VAL A 56 -2.406 -4.099 0.196 1.00 0.35 H new ATOM 0 HA VAL A 56 -0.395 -1.949 -0.078 1.00 0.32 H new ATOM 0 HB VAL A 56 -0.569 -4.178 1.876 1.00 0.30 H new ATOM 0 HG11 VAL A 56 0.945 -2.770 3.284 1.00 0.37 H new ATOM 0 HG12 VAL A 56 1.693 -3.212 1.730 1.00 0.37 H new ATOM 0 HG13 VAL A 56 1.025 -1.579 1.964 1.00 0.37 H new ATOM 0 HG21 VAL A 56 -1.267 -2.281 3.492 1.00 0.34 H new ATOM 0 HG22 VAL A 56 -1.227 -1.157 2.113 1.00 0.34 H new ATOM 0 HG23 VAL A 56 -2.436 -2.463 2.163 1.00 0.34 H new ATOM 372 N PHE A 57 1.467 -3.480 -0.851 1.00 0.31 N ATOM 373 CA PHE A 57 2.277 -4.020 -1.931 1.00 0.32 C ATOM 374 C PHE A 57 3.737 -3.961 -1.538 1.00 0.31 C ATOM 375 O PHE A 57 4.296 -2.868 -1.462 1.00 0.36 O ATOM 376 CB PHE A 57 2.056 -3.083 -3.111 1.00 0.37 C ATOM 377 CG PHE A 57 0.850 -3.421 -3.948 1.00 0.37 C ATOM 378 CD1 PHE A 57 0.896 -4.441 -4.915 1.00 1.64 C ATOM 379 CD2 PHE A 57 -0.326 -2.695 -3.745 1.00 2.10 C ATOM 380 CE1 PHE A 57 -0.243 -4.722 -5.693 1.00 1.64 C ATOM 381 CE2 PHE A 57 -1.459 -2.965 -4.526 1.00 2.12 C ATOM 382 CZ PHE A 57 -1.422 -3.973 -5.508 1.00 0.41 C ATOM 0 H PHE A 57 1.926 -2.742 -0.317 1.00 0.31 H new ATOM 0 HA PHE A 57 2.013 -5.052 -2.160 1.00 0.32 H new ATOM 0 HB2 PHE A 57 1.952 -2.064 -2.738 1.00 0.37 H new ATOM 0 HB3 PHE A 57 2.942 -3.101 -3.746 1.00 0.37 H new ATOM 0 HD1 PHE A 57 1.804 -5.008 -5.061 1.00 1.64 H new ATOM 0 HD2 PHE A 57 -0.363 -1.926 -2.987 1.00 2.10 H new ATOM 0 HE1 PHE A 57 -0.213 -5.510 -6.431 1.00 1.64 H new ATOM 0 HE2 PHE A 57 -2.365 -2.397 -4.373 1.00 2.12 H new ATOM 0 HZ PHE A 57 -2.292 -4.171 -6.116 1.00 0.41 H new ATOM 392 N LEU A 58 4.355 -5.102 -1.246 1.00 0.29 N ATOM 393 CA LEU A 58 5.748 -5.128 -0.824 1.00 0.27 C ATOM 394 C LEU A 58 6.448 -6.421 -1.295 1.00 0.35 C ATOM 395 O LEU A 58 5.794 -7.429 -1.577 1.00 0.42 O ATOM 396 CB LEU A 58 5.841 -4.802 0.694 1.00 0.24 C ATOM 397 CG LEU A 58 4.539 -4.794 1.554 1.00 0.29 C ATOM 398 CD1 LEU A 58 4.098 -6.177 2.019 1.00 0.30 C ATOM 399 CD2 LEU A 58 4.803 -3.927 2.771 1.00 0.43 C ATOM 0 H LEU A 58 3.911 -6.019 -1.294 1.00 0.29 H new ATOM 0 HA LEU A 58 6.320 -4.341 -1.315 1.00 0.27 H new ATOM 0 HB2 LEU A 58 6.525 -5.522 1.142 1.00 0.24 H new ATOM 0 HB3 LEU A 58 6.303 -3.820 0.790 1.00 0.24 H new ATOM 0 HG LEU A 58 3.732 -4.411 0.930 1.00 0.29 H new ATOM 0 HD11 LEU A 58 3.187 -6.089 2.611 1.00 0.30 H new ATOM 0 HD12 LEU A 58 3.908 -6.809 1.152 1.00 0.30 H new ATOM 0 HD13 LEU A 58 4.884 -6.624 2.628 1.00 0.30 H new ATOM 0 HD21 LEU A 58 3.911 -3.898 3.397 1.00 0.43 H new ATOM 0 HD22 LEU A 58 5.634 -4.343 3.341 1.00 0.43 H new ATOM 0 HD23 LEU A 58 5.054 -2.916 2.450 1.00 0.43 H new ATOM 411 N LYS A 59 7.782 -6.410 -1.437 1.00 0.41 N ATOM 412 CA LYS A 59 8.574 -7.613 -1.777 1.00 0.54 C ATOM 413 C LYS A 59 8.786 -8.462 -0.513 1.00 0.56 C ATOM 414 O LYS A 59 9.916 -8.690 -0.084 1.00 0.63 O ATOM 415 CB LYS A 59 9.894 -7.200 -2.474 1.00 0.62 C ATOM 416 CG LYS A 59 10.710 -6.096 -1.763 1.00 0.64 C ATOM 417 CD LYS A 59 12.172 -5.997 -2.232 1.00 1.11 C ATOM 418 CE LYS A 59 12.293 -5.873 -3.755 1.00 1.53 C ATOM 419 NZ LYS A 59 13.695 -5.671 -4.200 1.00 1.99 N ATOM 0 H LYS A 59 8.347 -5.569 -1.320 1.00 0.41 H new ATOM 0 HA LYS A 59 8.035 -8.237 -2.490 1.00 0.54 H new ATOM 0 HB2 LYS A 59 10.523 -8.084 -2.573 1.00 0.62 H new ATOM 0 HB3 LYS A 59 9.660 -6.860 -3.483 1.00 0.62 H new ATOM 0 HG2 LYS A 59 10.221 -5.135 -1.926 1.00 0.64 H new ATOM 0 HG3 LYS A 59 10.696 -6.283 -0.689 1.00 0.64 H new ATOM 0 HD2 LYS A 59 12.643 -5.134 -1.762 1.00 1.11 H new ATOM 0 HD3 LYS A 59 12.718 -6.879 -1.898 1.00 1.11 H new ATOM 0 HE2 LYS A 59 11.893 -6.773 -4.222 1.00 1.53 H new ATOM 0 HE3 LYS A 59 11.683 -5.038 -4.098 1.00 1.53 H new ATOM 0 HZ1 LYS A 59 13.722 -5.593 -5.237 1.00 1.99 H new ATOM 0 HZ2 LYS A 59 14.071 -4.798 -3.777 1.00 1.99 H new ATOM 0 HZ3 LYS A 59 14.275 -6.480 -3.898 1.00 1.99 H new ATOM 433 N GLY A 60 7.686 -8.959 0.055 1.00 0.56 N ATOM 434 CA GLY A 60 7.636 -9.408 1.448 1.00 0.59 C ATOM 435 C GLY A 60 6.229 -9.515 2.040 1.00 0.59 C ATOM 436 O GLY A 60 5.225 -9.424 1.339 1.00 0.81 O ATOM 0 H GLY A 60 6.800 -9.062 -0.440 1.00 0.56 H new ATOM 0 HA2 GLY A 60 8.119 -10.383 1.518 1.00 0.59 H new ATOM 0 HA3 GLY A 60 8.220 -8.719 2.058 1.00 0.59 H new ATOM 440 N THR A 61 6.169 -9.651 3.364 1.00 0.53 N ATOM 441 CA THR A 61 4.948 -9.814 4.178 1.00 0.49 C ATOM 442 C THR A 61 4.908 -8.807 5.336 1.00 0.51 C ATOM 443 O THR A 61 5.946 -8.256 5.720 1.00 0.58 O ATOM 444 CB THR A 61 4.909 -11.245 4.761 1.00 0.60 C ATOM 445 OG1 THR A 61 6.100 -11.516 5.476 1.00 0.87 O ATOM 446 CG2 THR A 61 4.771 -12.312 3.681 1.00 0.57 C ATOM 0 H THR A 61 7.013 -9.651 3.936 1.00 0.53 H new ATOM 0 HA THR A 61 4.087 -9.637 3.534 1.00 0.49 H new ATOM 0 HB THR A 61 4.037 -11.284 5.413 1.00 0.60 H new ATOM 0 HG1 THR A 61 5.879 -11.937 6.333 1.00 0.87 H new ATOM 0 HG21 THR A 61 4.749 -13.298 4.145 1.00 0.57 H new ATOM 0 HG22 THR A 61 3.847 -12.151 3.126 1.00 0.57 H new ATOM 0 HG23 THR A 61 5.619 -12.251 2.999 1.00 0.57 H new ATOM 454 N PRO A 62 3.727 -8.565 5.940 1.00 0.47 N ATOM 455 CA PRO A 62 3.605 -7.681 7.102 1.00 0.52 C ATOM 456 C PRO A 62 4.217 -8.284 8.380 1.00 0.71 C ATOM 457 O PRO A 62 4.504 -7.554 9.326 1.00 0.81 O ATOM 458 CB PRO A 62 2.098 -7.448 7.259 1.00 0.51 C ATOM 459 CG PRO A 62 1.474 -8.728 6.708 1.00 0.56 C ATOM 460 CD PRO A 62 2.419 -9.097 5.569 1.00 0.46 C ATOM 0 HA PRO A 62 4.157 -6.754 6.949 1.00 0.52 H new ATOM 0 HB2 PRO A 62 1.824 -7.286 8.302 1.00 0.51 H new ATOM 0 HB3 PRO A 62 1.768 -6.570 6.703 1.00 0.51 H new ATOM 0 HG2 PRO A 62 1.424 -9.512 7.463 1.00 0.56 H new ATOM 0 HG3 PRO A 62 0.457 -8.563 6.353 1.00 0.56 H new ATOM 0 HD2 PRO A 62 2.462 -10.178 5.433 1.00 0.46 H new ATOM 0 HD3 PRO A 62 2.078 -8.670 4.626 1.00 0.46 H new ATOM 468 N GLU A 63 4.405 -9.608 8.405 1.00 0.88 N ATOM 469 CA GLU A 63 4.869 -10.393 9.558 1.00 1.12 C ATOM 470 C GLU A 63 6.380 -10.693 9.597 1.00 1.19 C ATOM 471 O GLU A 63 6.876 -11.128 10.638 1.00 1.43 O ATOM 472 CB GLU A 63 3.996 -11.659 9.713 1.00 1.27 C ATOM 473 CG GLU A 63 3.822 -12.563 8.475 1.00 1.81 C ATOM 474 CD GLU A 63 4.961 -13.564 8.242 1.00 3.00 C ATOM 475 OE1 GLU A 63 5.096 -14.536 9.027 1.00 3.61 O ATOM 476 OE2 GLU A 63 5.673 -13.446 7.214 1.00 4.37 O ATOM 0 H GLU A 63 4.230 -10.190 7.585 1.00 0.88 H new ATOM 0 HA GLU A 63 4.736 -9.756 10.433 1.00 1.12 H new ATOM 0 HB2 GLU A 63 4.421 -12.264 10.514 1.00 1.27 H new ATOM 0 HB3 GLU A 63 3.005 -11.346 10.042 1.00 1.27 H new ATOM 0 HG2 GLU A 63 2.887 -13.115 8.574 1.00 1.81 H new ATOM 0 HG3 GLU A 63 3.727 -11.931 7.592 1.00 1.81 H new ATOM 483 N GLN A 64 7.131 -10.456 8.513 1.00 1.08 N ATOM 484 CA GLN A 64 8.584 -10.627 8.457 1.00 1.11 C ATOM 485 C GLN A 64 9.252 -9.530 7.598 1.00 1.21 C ATOM 486 O GLN A 64 8.856 -9.361 6.437 1.00 1.17 O ATOM 487 CB GLN A 64 8.900 -12.009 7.889 1.00 1.17 C ATOM 488 CG GLN A 64 8.786 -13.123 8.944 1.00 1.28 C ATOM 489 CD GLN A 64 8.997 -14.506 8.352 1.00 1.74 C ATOM 490 OE1 GLN A 64 9.997 -15.176 8.589 1.00 2.38 O ATOM 491 NE2 GLN A 64 8.052 -14.983 7.580 1.00 2.17 N ATOM 0 H GLN A 64 6.733 -10.133 7.631 1.00 1.08 H new ATOM 0 HA GLN A 64 8.985 -10.538 9.467 1.00 1.11 H new ATOM 0 HB2 GLN A 64 8.219 -12.223 7.065 1.00 1.17 H new ATOM 0 HB3 GLN A 64 9.909 -12.006 7.477 1.00 1.17 H new ATOM 0 HG2 GLN A 64 9.521 -12.951 9.730 1.00 1.28 H new ATOM 0 HG3 GLN A 64 7.803 -13.077 9.412 1.00 1.28 H new ATOM 0 HE21 GLN A 64 7.222 -14.423 7.385 1.00 2.17 H new ATOM 0 HE22 GLN A 64 8.146 -15.914 7.174 1.00 2.17 H new ATOM 500 N PRO A 65 10.284 -8.820 8.103 1.00 1.50 N ATOM 501 CA PRO A 65 10.935 -7.704 7.411 1.00 1.53 C ATOM 502 C PRO A 65 11.833 -8.179 6.259 1.00 1.35 C ATOM 503 O PRO A 65 13.053 -8.313 6.373 1.00 1.63 O ATOM 504 CB PRO A 65 11.679 -6.929 8.504 1.00 1.92 C ATOM 505 CG PRO A 65 12.038 -8.020 9.508 1.00 2.23 C ATOM 506 CD PRO A 65 10.841 -8.963 9.442 1.00 1.90 C ATOM 0 HA PRO A 65 10.216 -7.055 6.911 1.00 1.53 H new ATOM 0 HB2 PRO A 65 12.566 -6.431 8.114 1.00 1.92 H new ATOM 0 HB3 PRO A 65 11.052 -6.158 8.952 1.00 1.92 H new ATOM 0 HG2 PRO A 65 12.965 -8.526 9.238 1.00 2.23 H new ATOM 0 HG3 PRO A 65 12.176 -7.615 10.510 1.00 2.23 H new ATOM 0 HD2 PRO A 65 11.146 -9.993 9.629 1.00 1.90 H new ATOM 0 HD3 PRO A 65 10.101 -8.707 10.201 1.00 1.90 H new ATOM 514 N GLN A 66 11.188 -8.372 5.110 1.00 1.00 N ATOM 515 CA GLN A 66 11.758 -8.580 3.774 1.00 0.90 C ATOM 516 C GLN A 66 13.097 -7.864 3.540 1.00 1.06 C ATOM 517 O GLN A 66 14.138 -8.492 3.352 1.00 1.19 O ATOM 518 CB GLN A 66 10.746 -8.068 2.739 1.00 0.71 C ATOM 519 CG GLN A 66 9.940 -6.811 3.139 1.00 1.12 C ATOM 520 CD GLN A 66 9.727 -5.827 1.994 1.00 0.86 C ATOM 521 OE1 GLN A 66 8.879 -6.011 1.145 1.00 1.82 O ATOM 522 NE2 GLN A 66 10.425 -4.715 1.948 1.00 1.02 N ATOM 0 H GLN A 66 10.168 -8.389 5.084 1.00 1.00 H new ATOM 0 HA GLN A 66 11.958 -9.647 3.679 1.00 0.90 H new ATOM 0 HB2 GLN A 66 11.281 -7.852 1.814 1.00 0.71 H new ATOM 0 HB3 GLN A 66 10.042 -8.871 2.521 1.00 0.71 H new ATOM 0 HG2 GLN A 66 8.969 -7.121 3.525 1.00 1.12 H new ATOM 0 HG3 GLN A 66 10.458 -6.302 3.952 1.00 1.12 H new ATOM 0 HE21 GLN A 66 11.144 -4.535 2.649 1.00 1.02 H new ATOM 0 HE22 GLN A 66 10.248 -4.032 1.211 1.00 1.02 H new ATOM 531 N CYS A 67 13.029 -6.536 3.550 1.00 1.09 N ATOM 532 CA CYS A 67 14.084 -5.547 3.396 1.00 1.15 C ATOM 533 C CYS A 67 13.525 -4.217 3.946 1.00 1.28 C ATOM 534 O CYS A 67 12.336 -4.161 4.286 1.00 1.91 O ATOM 535 CB CYS A 67 14.459 -5.436 1.906 1.00 1.18 C ATOM 536 SG CYS A 67 16.084 -4.642 1.722 1.00 1.41 S ATOM 0 H CYS A 67 12.127 -6.078 3.682 1.00 1.09 H new ATOM 0 HA CYS A 67 14.990 -5.819 3.938 1.00 1.15 H new ATOM 0 HB2 CYS A 67 14.478 -6.428 1.454 1.00 1.18 H new ATOM 0 HB3 CYS A 67 13.702 -4.858 1.376 1.00 1.18 H new ATOM 0 HG CYS A 67 16.386 -4.558 0.460 1.00 1.41 H new ATOM 542 N GLY A 68 14.341 -3.161 3.993 1.00 1.31 N ATOM 543 CA GLY A 68 14.007 -1.857 4.581 1.00 1.33 C ATOM 544 C GLY A 68 12.633 -1.281 4.206 1.00 1.41 C ATOM 545 O GLY A 68 12.111 -1.513 3.114 1.00 2.43 O ATOM 0 H GLY A 68 15.286 -3.189 3.610 1.00 1.31 H new ATOM 0 HA2 GLY A 68 14.057 -1.946 5.666 1.00 1.33 H new ATOM 0 HA3 GLY A 68 14.773 -1.140 4.284 1.00 1.33 H new ATOM 549 N PHE A 69 12.062 -0.502 5.125 1.00 1.06 N ATOM 550 CA PHE A 69 10.779 0.194 5.019 1.00 0.99 C ATOM 551 C PHE A 69 9.495 -0.651 4.826 1.00 0.75 C ATOM 552 O PHE A 69 8.441 -0.099 4.492 1.00 0.75 O ATOM 553 CB PHE A 69 10.888 1.497 4.232 1.00 1.85 C ATOM 554 CG PHE A 69 11.652 1.515 2.944 1.00 0.83 C ATOM 555 CD1 PHE A 69 13.020 1.798 2.918 1.00 2.06 C ATOM 556 CD2 PHE A 69 10.922 1.422 1.764 1.00 1.82 C ATOM 557 CE1 PHE A 69 13.655 2.012 1.678 1.00 2.09 C ATOM 558 CE2 PHE A 69 11.522 1.693 0.529 1.00 2.41 C ATOM 559 CZ PHE A 69 12.902 1.977 0.484 1.00 1.78 C ATOM 0 H PHE A 69 12.513 -0.329 6.023 1.00 1.06 H new ATOM 0 HA PHE A 69 10.564 0.496 6.044 1.00 0.99 H new ATOM 0 HB2 PHE A 69 9.874 1.835 4.016 1.00 1.85 H new ATOM 0 HB3 PHE A 69 11.338 2.240 4.890 1.00 1.85 H new ATOM 0 HD1 PHE A 69 13.584 1.852 3.837 1.00 2.06 H new ATOM 0 HD2 PHE A 69 9.881 1.138 1.801 1.00 1.82 H new ATOM 0 HE1 PHE A 69 14.717 2.203 1.641 1.00 2.09 H new ATOM 0 HE2 PHE A 69 10.935 1.685 -0.378 1.00 2.41 H new ATOM 0 HZ PHE A 69 13.383 2.168 -0.464 1.00 1.78 H new ATOM 569 N SER A 70 9.516 -1.963 5.106 1.00 0.88 N ATOM 570 CA SER A 70 8.308 -2.814 5.027 1.00 0.82 C ATOM 571 C SER A 70 7.379 -2.720 6.238 1.00 0.66 C ATOM 572 O SER A 70 6.172 -2.911 6.109 1.00 0.63 O ATOM 573 CB SER A 70 8.687 -4.280 4.808 1.00 0.92 C ATOM 574 OG SER A 70 9.098 -4.949 5.987 1.00 1.94 O ATOM 0 H SER A 70 10.358 -2.464 5.391 1.00 0.88 H new ATOM 0 HA SER A 70 7.753 -2.423 4.174 1.00 0.82 H new ATOM 0 HB2 SER A 70 7.833 -4.806 4.382 1.00 0.92 H new ATOM 0 HB3 SER A 70 9.491 -4.331 4.074 1.00 0.92 H new ATOM 0 HG SER A 70 8.607 -5.792 6.073 1.00 1.94 H new ATOM 580 N ASN A 71 7.919 -2.409 7.413 1.00 0.66 N ATOM 581 CA ASN A 71 7.138 -2.191 8.627 1.00 0.56 C ATOM 582 C ASN A 71 6.631 -0.750 8.704 1.00 0.54 C ATOM 583 O ASN A 71 5.577 -0.519 9.281 1.00 0.51 O ATOM 584 CB ASN A 71 8.034 -2.555 9.823 1.00 0.66 C ATOM 585 CG ASN A 71 7.297 -3.284 10.925 1.00 1.79 C ATOM 586 OD1 ASN A 71 6.640 -4.288 10.689 1.00 2.96 O ATOM 587 ND2 ASN A 71 7.423 -2.858 12.155 1.00 2.36 N ATOM 0 H ASN A 71 8.924 -2.300 7.551 1.00 0.66 H new ATOM 0 HA ASN A 71 6.248 -2.821 8.631 1.00 0.56 H new ATOM 0 HB2 ASN A 71 8.858 -3.177 9.474 1.00 0.66 H new ATOM 0 HB3 ASN A 71 8.472 -1.644 10.230 1.00 0.66 H new ATOM 0 HD21 ASN A 71 6.973 -3.363 12.918 1.00 2.36 H new ATOM 0 HD22 ASN A 71 7.971 -2.020 12.351 1.00 2.36 H new ATOM 594 N ALA A 72 7.313 0.214 8.079 1.00 0.57 N ATOM 595 CA ALA A 72 6.944 1.630 8.124 1.00 0.58 C ATOM 596 C ALA A 72 5.549 1.891 7.553 1.00 0.50 C ATOM 597 O ALA A 72 4.796 2.695 8.109 1.00 0.52 O ATOM 598 CB ALA A 72 8.036 2.443 7.417 1.00 0.65 C ATOM 0 H ALA A 72 8.147 0.030 7.521 1.00 0.57 H new ATOM 0 HA ALA A 72 6.881 1.951 9.164 1.00 0.58 H new ATOM 0 HB1 ALA A 72 7.776 3.501 7.442 1.00 0.65 H new ATOM 0 HB2 ALA A 72 8.989 2.292 7.925 1.00 0.65 H new ATOM 0 HB3 ALA A 72 8.121 2.115 6.381 1.00 0.65 H new ATOM 604 N VAL A 73 5.157 1.140 6.520 1.00 0.47 N ATOM 605 CA VAL A 73 3.818 1.162 5.970 1.00 0.44 C ATOM 606 C VAL A 73 2.777 0.540 6.905 1.00 0.43 C ATOM 607 O VAL A 73 1.687 1.086 7.059 1.00 0.42 O ATOM 608 CB VAL A 73 3.833 0.470 4.599 1.00 0.51 C ATOM 609 CG1 VAL A 73 4.580 1.287 3.549 1.00 0.57 C ATOM 610 CG2 VAL A 73 4.500 -0.890 4.600 1.00 0.55 C ATOM 0 H VAL A 73 5.781 0.491 6.040 1.00 0.47 H new ATOM 0 HA VAL A 73 3.514 2.202 5.853 1.00 0.44 H new ATOM 0 HB VAL A 73 2.774 0.368 4.363 1.00 0.51 H new ATOM 0 HG11 VAL A 73 4.564 0.757 2.597 1.00 0.57 H new ATOM 0 HG12 VAL A 73 4.098 2.258 3.433 1.00 0.57 H new ATOM 0 HG13 VAL A 73 5.613 1.431 3.867 1.00 0.57 H new ATOM 0 HG21 VAL A 73 4.469 -1.311 3.595 1.00 0.55 H new ATOM 0 HG22 VAL A 73 5.537 -0.786 4.918 1.00 0.55 H new ATOM 0 HG23 VAL A 73 3.974 -1.553 5.288 1.00 0.55 H new ATOM 620 N VAL A 74 3.121 -0.563 7.574 1.00 0.47 N ATOM 621 CA VAL A 74 2.207 -1.308 8.452 1.00 0.48 C ATOM 622 C VAL A 74 2.029 -0.611 9.805 1.00 0.47 C ATOM 623 O VAL A 74 0.907 -0.548 10.298 1.00 0.48 O ATOM 624 CB VAL A 74 2.635 -2.785 8.554 1.00 0.53 C ATOM 625 CG1 VAL A 74 1.846 -3.562 9.607 1.00 0.59 C ATOM 626 CG2 VAL A 74 2.402 -3.481 7.201 1.00 0.59 C ATOM 0 H VAL A 74 4.054 -0.972 7.522 1.00 0.47 H new ATOM 0 HA VAL A 74 1.213 -1.312 8.005 1.00 0.48 H new ATOM 0 HB VAL A 74 3.687 -2.782 8.839 1.00 0.53 H new ATOM 0 HG11 VAL A 74 2.192 -4.595 9.632 1.00 0.59 H new ATOM 0 HG12 VAL A 74 1.997 -3.105 10.585 1.00 0.59 H new ATOM 0 HG13 VAL A 74 0.786 -3.541 9.356 1.00 0.59 H new ATOM 0 HG21 VAL A 74 2.705 -4.526 7.272 1.00 0.59 H new ATOM 0 HG22 VAL A 74 1.345 -3.426 6.941 1.00 0.59 H new ATOM 0 HG23 VAL A 74 2.991 -2.984 6.430 1.00 0.59 H new ATOM 636 N GLN A 75 3.080 0.021 10.339 1.00 0.45 N ATOM 637 CA GLN A 75 3.023 0.967 11.456 1.00 0.46 C ATOM 638 C GLN A 75 2.042 2.105 11.144 1.00 0.41 C ATOM 639 O GLN A 75 1.110 2.319 11.911 1.00 0.42 O ATOM 640 CB GLN A 75 4.427 1.534 11.756 1.00 0.55 C ATOM 641 CG GLN A 75 5.418 0.537 12.384 1.00 0.68 C ATOM 642 CD GLN A 75 5.138 0.246 13.855 1.00 1.20 C ATOM 643 OE1 GLN A 75 5.614 0.924 14.761 1.00 2.55 O ATOM 644 NE2 GLN A 75 4.384 -0.783 14.162 1.00 0.82 N ATOM 0 H GLN A 75 4.029 -0.118 9.991 1.00 0.45 H new ATOM 0 HA GLN A 75 2.669 0.436 12.340 1.00 0.46 H new ATOM 0 HB2 GLN A 75 4.855 1.910 10.827 1.00 0.55 H new ATOM 0 HB3 GLN A 75 4.321 2.387 12.426 1.00 0.55 H new ATOM 0 HG2 GLN A 75 5.385 -0.398 11.824 1.00 0.68 H new ATOM 0 HG3 GLN A 75 6.429 0.932 12.286 1.00 0.68 H new ATOM 0 HE21 GLN A 75 3.980 -1.358 13.423 1.00 0.82 H new ATOM 0 HE22 GLN A 75 4.202 -1.008 15.140 1.00 0.82 H new ATOM 653 N ILE A 76 2.181 2.797 10.005 1.00 0.39 N ATOM 654 CA ILE A 76 1.283 3.920 9.670 1.00 0.37 C ATOM 655 C ILE A 76 -0.167 3.443 9.553 1.00 0.35 C ATOM 656 O ILE A 76 -1.062 4.054 10.137 1.00 0.37 O ATOM 657 CB ILE A 76 1.779 4.647 8.395 1.00 0.38 C ATOM 658 CG1 ILE A 76 3.038 5.452 8.767 1.00 0.43 C ATOM 659 CG2 ILE A 76 0.726 5.594 7.784 1.00 0.40 C ATOM 660 CD1 ILE A 76 3.813 6.005 7.570 1.00 0.46 C ATOM 0 H ILE A 76 2.897 2.605 9.304 1.00 0.39 H new ATOM 0 HA ILE A 76 1.306 4.647 10.481 1.00 0.37 H new ATOM 0 HB ILE A 76 1.989 3.891 7.638 1.00 0.38 H new ATOM 0 HG12 ILE A 76 2.746 6.282 9.410 1.00 0.43 H new ATOM 0 HG13 ILE A 76 3.702 4.815 9.351 1.00 0.43 H new ATOM 0 HG21 ILE A 76 1.138 6.071 6.894 1.00 0.40 H new ATOM 0 HG22 ILE A 76 -0.162 5.024 7.512 1.00 0.40 H new ATOM 0 HG23 ILE A 76 0.457 6.358 8.513 1.00 0.40 H new ATOM 0 HD11 ILE A 76 4.683 6.558 7.924 1.00 0.46 H new ATOM 0 HD12 ILE A 76 4.140 5.181 6.936 1.00 0.46 H new ATOM 0 HD13 ILE A 76 3.169 6.671 6.996 1.00 0.46 H new ATOM 672 N LEU A 77 -0.401 2.327 8.862 1.00 0.32 N ATOM 673 CA LEU A 77 -1.738 1.753 8.716 1.00 0.31 C ATOM 674 C LEU A 77 -2.358 1.368 10.070 1.00 0.33 C ATOM 675 O LEU A 77 -3.439 1.865 10.398 1.00 0.35 O ATOM 676 CB LEU A 77 -1.670 0.585 7.714 1.00 0.31 C ATOM 677 CG LEU A 77 -1.495 1.054 6.258 1.00 0.31 C ATOM 678 CD1 LEU A 77 -1.162 -0.132 5.356 1.00 0.36 C ATOM 679 CD2 LEU A 77 -2.779 1.701 5.731 1.00 0.37 C ATOM 0 H LEU A 77 0.330 1.796 8.388 1.00 0.32 H new ATOM 0 HA LEU A 77 -2.416 2.505 8.313 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -0.840 -0.069 7.982 1.00 0.31 H new ATOM 0 HB3 LEU A 77 -2.581 -0.008 7.792 1.00 0.31 H new ATOM 0 HG LEU A 77 -0.684 1.782 6.246 1.00 0.31 H new ATOM 0 HD11 LEU A 77 -1.041 0.214 4.330 1.00 0.36 H new ATOM 0 HD12 LEU A 77 -0.236 -0.597 5.694 1.00 0.36 H new ATOM 0 HD13 LEU A 77 -1.971 -0.861 5.400 1.00 0.36 H new ATOM 0 HD21 LEU A 77 -2.628 2.023 4.701 1.00 0.37 H new ATOM 0 HD22 LEU A 77 -3.593 0.977 5.769 1.00 0.37 H new ATOM 0 HD23 LEU A 77 -3.031 2.564 6.348 1.00 0.37 H new ATOM 691 N ARG A 78 -1.676 0.574 10.907 1.00 0.35 N ATOM 692 CA ARG A 78 -2.197 0.130 12.192 1.00 0.40 C ATOM 693 C ARG A 78 -2.411 1.259 13.209 1.00 0.44 C ATOM 694 O ARG A 78 -3.389 1.198 13.956 1.00 0.50 O ATOM 695 CB ARG A 78 -1.297 -1.007 12.693 1.00 0.46 C ATOM 696 CG ARG A 78 -0.030 -0.564 13.449 1.00 0.54 C ATOM 697 CD ARG A 78 0.824 -1.727 13.989 1.00 0.73 C ATOM 698 NE ARG A 78 0.055 -2.745 14.738 1.00 1.66 N ATOM 699 CZ ARG A 78 -0.698 -2.557 15.808 1.00 2.93 C ATOM 700 NH1 ARG A 78 -0.755 -1.440 16.466 1.00 4.07 N ATOM 701 NH2 ARG A 78 -1.476 -3.492 16.258 1.00 3.95 N ATOM 0 H ARG A 78 -0.740 0.223 10.703 1.00 0.35 H new ATOM 0 HA ARG A 78 -3.211 -0.247 12.058 1.00 0.40 H new ATOM 0 HB2 ARG A 78 -1.884 -1.650 13.348 1.00 0.46 H new ATOM 0 HB3 ARG A 78 -0.996 -1.613 11.838 1.00 0.46 H new ATOM 0 HG2 ARG A 78 0.583 0.043 12.783 1.00 0.54 H new ATOM 0 HG3 ARG A 78 -0.323 0.074 14.283 1.00 0.54 H new ATOM 0 HD2 ARG A 78 1.329 -2.211 13.153 1.00 0.73 H new ATOM 0 HD3 ARG A 78 1.600 -1.322 14.639 1.00 0.73 H new ATOM 0 HE ARG A 78 0.112 -3.702 14.389 1.00 1.66 H new ATOM 0 HH11 ARG A 78 -0.197 -0.641 16.164 1.00 4.07 H new ATOM 0 HH12 ARG A 78 -1.358 -1.361 17.285 1.00 4.07 H new ATOM 0 HH21 ARG A 78 -1.515 -4.395 15.784 1.00 3.95 H new ATOM 0 HH22 ARG A 78 -2.048 -3.325 17.086 1.00 3.95 H new ATOM 715 N LEU A 79 -1.579 2.310 13.187 1.00 0.44 N ATOM 716 CA LEU A 79 -1.751 3.535 13.976 1.00 0.49 C ATOM 717 C LEU A 79 -3.051 4.257 13.608 1.00 0.52 C ATOM 718 O LEU A 79 -3.795 4.692 14.488 1.00 0.61 O ATOM 719 CB LEU A 79 -0.565 4.470 13.685 1.00 0.53 C ATOM 720 CG LEU A 79 0.756 4.107 14.379 1.00 0.57 C ATOM 721 CD1 LEU A 79 1.858 4.978 13.769 1.00 0.62 C ATOM 722 CD2 LEU A 79 0.708 4.398 15.880 1.00 0.66 C ATOM 0 H LEU A 79 -0.744 2.330 12.602 1.00 0.44 H new ATOM 0 HA LEU A 79 -1.794 3.268 15.032 1.00 0.49 H new ATOM 0 HB2 LEU A 79 -0.396 4.487 12.608 1.00 0.53 H new ATOM 0 HB3 LEU A 79 -0.843 5.482 13.980 1.00 0.53 H new ATOM 0 HG LEU A 79 0.940 3.042 14.239 1.00 0.57 H new ATOM 0 HD11 LEU A 79 2.811 4.743 14.242 1.00 0.62 H new ATOM 0 HD12 LEU A 79 1.926 4.782 12.699 1.00 0.62 H new ATOM 0 HD13 LEU A 79 1.622 6.030 13.931 1.00 0.62 H new ATOM 0 HD21 LEU A 79 1.661 4.127 16.334 1.00 0.66 H new ATOM 0 HD22 LEU A 79 0.519 5.460 16.039 1.00 0.66 H new ATOM 0 HD23 LEU A 79 -0.091 3.815 16.338 1.00 0.66 H new ATOM 734 N HIS A 80 -3.344 4.329 12.307 1.00 0.44 N ATOM 735 CA HIS A 80 -4.584 4.873 11.763 1.00 0.40 C ATOM 736 C HIS A 80 -5.809 3.959 11.975 1.00 0.44 C ATOM 737 O HIS A 80 -6.915 4.353 11.613 1.00 0.45 O ATOM 738 CB HIS A 80 -4.361 5.215 10.277 1.00 0.34 C ATOM 739 CG HIS A 80 -3.701 6.555 10.062 1.00 0.29 C ATOM 740 ND1 HIS A 80 -4.273 7.762 10.354 1.00 0.29 N ATOM 741 CD2 HIS A 80 -2.483 6.831 9.501 1.00 0.31 C ATOM 742 CE1 HIS A 80 -3.456 8.746 9.971 1.00 0.27 C ATOM 743 NE2 HIS A 80 -2.336 8.229 9.430 1.00 0.30 N ATOM 0 H HIS A 80 -2.704 4.000 11.584 1.00 0.44 H new ATOM 0 HA HIS A 80 -4.829 5.779 12.317 1.00 0.40 H new ATOM 0 HB2 HIS A 80 -3.746 4.439 9.822 1.00 0.34 H new ATOM 0 HB3 HIS A 80 -5.321 5.205 9.762 1.00 0.34 H new ATOM 0 HD1 HIS A 80 -5.183 7.891 10.796 1.00 0.29 H new ATOM 0 HD2 HIS A 80 -1.759 6.101 9.170 1.00 0.31 H new ATOM 0 HE1 HIS A 80 -3.663 9.801 10.079 1.00 0.27 H new ATOM 751 N GLY A 81 -5.668 2.774 12.580 1.00 0.48 N ATOM 752 CA GLY A 81 -6.782 1.838 12.775 1.00 0.57 C ATOM 753 C GLY A 81 -7.038 0.904 11.584 1.00 0.63 C ATOM 754 O GLY A 81 -8.109 0.298 11.482 1.00 0.91 O ATOM 0 H GLY A 81 -4.779 2.437 12.948 1.00 0.48 H new ATOM 0 HA2 GLY A 81 -6.582 1.233 13.660 1.00 0.57 H new ATOM 0 HA3 GLY A 81 -7.689 2.408 12.976 1.00 0.57 H new ATOM 758 N VAL A 82 -6.076 0.784 10.665 1.00 0.45 N ATOM 759 CA VAL A 82 -6.191 -0.006 9.434 1.00 0.42 C ATOM 760 C VAL A 82 -5.264 -1.219 9.503 1.00 0.40 C ATOM 761 O VAL A 82 -4.044 -1.102 9.442 1.00 0.48 O ATOM 762 CB VAL A 82 -5.946 0.867 8.189 1.00 0.41 C ATOM 763 CG1 VAL A 82 -6.292 0.081 6.923 1.00 0.43 C ATOM 764 CG2 VAL A 82 -6.818 2.134 8.192 1.00 0.45 C ATOM 0 H VAL A 82 -5.171 1.246 10.758 1.00 0.45 H new ATOM 0 HA VAL A 82 -7.210 -0.382 9.342 1.00 0.42 H new ATOM 0 HB VAL A 82 -4.894 1.151 8.208 1.00 0.41 H new ATOM 0 HG11 VAL A 82 -6.116 0.706 6.047 1.00 0.43 H new ATOM 0 HG12 VAL A 82 -5.666 -0.810 6.865 1.00 0.43 H new ATOM 0 HG13 VAL A 82 -7.341 -0.214 6.953 1.00 0.43 H new ATOM 0 HG21 VAL A 82 -6.612 2.719 7.296 1.00 0.45 H new ATOM 0 HG22 VAL A 82 -7.871 1.851 8.207 1.00 0.45 H new ATOM 0 HG23 VAL A 82 -6.590 2.730 9.075 1.00 0.45 H new ATOM 774 N ARG A 83 -5.855 -2.405 9.657 1.00 0.38 N ATOM 775 CA ARG A 83 -5.185 -3.679 9.932 1.00 0.63 C ATOM 776 C ARG A 83 -5.676 -4.840 9.067 1.00 0.80 C ATOM 777 O ARG A 83 -5.065 -5.907 9.046 1.00 1.14 O ATOM 778 CB ARG A 83 -5.313 -3.970 11.429 1.00 0.97 C ATOM 779 CG ARG A 83 -6.752 -4.232 11.889 1.00 0.89 C ATOM 780 CD ARG A 83 -7.072 -5.727 12.021 1.00 1.65 C ATOM 781 NE ARG A 83 -8.470 -5.940 12.431 1.00 2.11 N ATOM 782 CZ ARG A 83 -8.925 -6.163 13.650 1.00 2.93 C ATOM 783 NH1 ARG A 83 -8.163 -6.132 14.705 1.00 4.28 N ATOM 784 NH2 ARG A 83 -10.181 -6.428 13.841 1.00 3.46 N ATOM 0 H ARG A 83 -6.867 -2.509 9.590 1.00 0.38 H new ATOM 0 HA ARG A 83 -4.135 -3.581 9.658 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -4.700 -4.837 11.675 1.00 0.97 H new ATOM 0 HB3 ARG A 83 -4.911 -3.126 11.989 1.00 0.97 H new ATOM 0 HG2 ARG A 83 -6.916 -3.744 12.850 1.00 0.89 H new ATOM 0 HG3 ARG A 83 -7.444 -3.778 11.179 1.00 0.89 H new ATOM 0 HD2 ARG A 83 -6.890 -6.226 11.069 1.00 1.65 H new ATOM 0 HD3 ARG A 83 -6.403 -6.181 12.752 1.00 1.65 H new ATOM 0 HE ARG A 83 -9.167 -5.912 11.687 1.00 2.11 H new ATOM 0 HH11 ARG A 83 -7.168 -5.929 14.610 1.00 4.28 H new ATOM 0 HH12 ARG A 83 -8.561 -6.311 15.627 1.00 4.28 H new ATOM 0 HH21 ARG A 83 -10.821 -6.465 13.048 1.00 3.46 H new ATOM 0 HH22 ARG A 83 -10.528 -6.600 14.785 1.00 3.46 H new ATOM 798 N ASP A 84 -6.783 -4.618 8.363 1.00 0.81 N ATOM 799 CA ASP A 84 -7.458 -5.525 7.436 1.00 1.09 C ATOM 800 C ASP A 84 -7.178 -5.165 5.958 1.00 0.92 C ATOM 801 O ASP A 84 -8.016 -5.438 5.094 1.00 1.11 O ATOM 802 CB ASP A 84 -8.959 -5.627 7.782 1.00 1.60 C ATOM 803 CG ASP A 84 -9.243 -6.285 9.135 1.00 3.11 C ATOM 804 OD1 ASP A 84 -8.907 -7.483 9.318 1.00 4.38 O ATOM 805 OD2 ASP A 84 -9.866 -5.629 10.005 1.00 3.76 O ATOM 0 H ASP A 84 -7.272 -3.725 8.431 1.00 0.81 H new ATOM 0 HA ASP A 84 -7.040 -6.524 7.560 1.00 1.09 H new ATOM 0 HB2 ASP A 84 -9.391 -4.626 7.778 1.00 1.60 H new ATOM 0 HB3 ASP A 84 -9.464 -6.195 7.000 1.00 1.60 H new ATOM 810 N TYR A 85 -6.009 -4.581 5.636 1.00 0.63 N ATOM 811 CA TYR A 85 -5.555 -4.458 4.244 1.00 0.49 C ATOM 812 C TYR A 85 -5.338 -5.877 3.680 1.00 0.45 C ATOM 813 O TYR A 85 -5.219 -6.868 4.409 1.00 0.50 O ATOM 814 CB TYR A 85 -4.170 -3.743 4.141 1.00 0.43 C ATOM 815 CG TYR A 85 -3.206 -4.062 5.254 1.00 0.44 C ATOM 816 CD1 TYR A 85 -2.458 -5.239 5.136 1.00 1.53 C ATOM 817 CD2 TYR A 85 -3.119 -3.261 6.410 1.00 1.93 C ATOM 818 CE1 TYR A 85 -1.687 -5.687 6.228 1.00 1.51 C ATOM 819 CE2 TYR A 85 -2.302 -3.673 7.477 1.00 1.99 C ATOM 820 CZ TYR A 85 -1.619 -4.906 7.404 1.00 0.59 C ATOM 821 OH TYR A 85 -0.933 -5.342 8.489 1.00 0.72 O ATOM 0 H TYR A 85 -5.364 -4.188 6.322 1.00 0.63 H new ATOM 0 HA TYR A 85 -6.308 -3.885 3.703 1.00 0.49 H new ATOM 0 HB2 TYR A 85 -3.708 -4.013 3.191 1.00 0.43 H new ATOM 0 HB3 TYR A 85 -4.334 -2.666 4.120 1.00 0.43 H new ATOM 0 HD1 TYR A 85 -2.471 -5.801 4.214 1.00 1.53 H new ATOM 0 HD2 TYR A 85 -3.676 -2.338 6.476 1.00 1.93 H new ATOM 0 HE1 TYR A 85 -1.151 -6.623 6.166 1.00 1.51 H new ATOM 0 HE2 TYR A 85 -2.197 -3.047 8.351 1.00 1.99 H new ATOM 0 HH TYR A 85 -0.189 -5.911 8.199 1.00 0.72 H new ATOM 831 N ALA A 86 -5.187 -5.950 2.364 1.00 0.42 N ATOM 832 CA ALA A 86 -4.570 -7.100 1.719 1.00 0.39 C ATOM 833 C ALA A 86 -3.103 -6.754 1.472 1.00 0.42 C ATOM 834 O ALA A 86 -2.812 -5.867 0.668 1.00 0.44 O ATOM 835 CB ALA A 86 -5.361 -7.436 0.452 1.00 0.41 C ATOM 0 H ALA A 86 -5.486 -5.219 1.718 1.00 0.42 H new ATOM 0 HA ALA A 86 -4.593 -7.999 2.335 1.00 0.39 H new ATOM 0 HB1 ALA A 86 -4.909 -8.296 -0.042 1.00 0.41 H new ATOM 0 HB2 ALA A 86 -6.392 -7.670 0.718 1.00 0.41 H new ATOM 0 HB3 ALA A 86 -5.346 -6.581 -0.224 1.00 0.41 H new ATOM 841 N ALA A 87 -2.177 -7.387 2.203 1.00 0.45 N ATOM 842 CA ALA A 87 -0.752 -7.162 1.988 1.00 0.41 C ATOM 843 C ALA A 87 -0.293 -8.121 0.869 1.00 0.39 C ATOM 844 O ALA A 87 -0.157 -9.324 1.110 1.00 0.42 O ATOM 845 CB ALA A 87 0.058 -7.423 3.272 1.00 0.38 C ATOM 0 H ALA A 87 -2.393 -8.055 2.943 1.00 0.45 H new ATOM 0 HA ALA A 87 -0.583 -6.123 1.706 1.00 0.41 H new ATOM 0 HB1 ALA A 87 1.116 -7.246 3.077 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -0.283 -6.752 4.060 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -0.085 -8.456 3.589 1.00 0.38 H new ATOM 851 N TYR A 88 -0.067 -7.638 -0.346 1.00 0.39 N ATOM 852 CA TYR A 88 0.441 -8.420 -1.471 1.00 0.41 C ATOM 853 C TYR A 88 1.956 -8.545 -1.425 1.00 0.37 C ATOM 854 O TYR A 88 2.688 -7.576 -1.652 1.00 0.37 O ATOM 855 CB TYR A 88 -0.034 -7.832 -2.808 1.00 0.48 C ATOM 856 CG TYR A 88 -1.477 -8.163 -3.131 1.00 0.59 C ATOM 857 CD1 TYR A 88 -2.527 -7.487 -2.484 1.00 2.05 C ATOM 858 CD2 TYR A 88 -1.763 -9.159 -4.083 1.00 1.69 C ATOM 859 CE1 TYR A 88 -3.867 -7.836 -2.756 1.00 2.12 C ATOM 860 CE2 TYR A 88 -3.100 -9.482 -4.379 1.00 1.79 C ATOM 861 CZ TYR A 88 -4.155 -8.854 -3.686 1.00 0.98 C ATOM 862 OH TYR A 88 -5.440 -9.241 -3.903 1.00 1.23 O ATOM 0 H TYR A 88 -0.237 -6.661 -0.585 1.00 0.39 H new ATOM 0 HA TYR A 88 0.032 -9.427 -1.386 1.00 0.41 H new ATOM 0 HB2 TYR A 88 0.086 -6.749 -2.783 1.00 0.48 H new ATOM 0 HB3 TYR A 88 0.605 -8.205 -3.608 1.00 0.48 H new ATOM 0 HD1 TYR A 88 -2.307 -6.700 -1.778 1.00 2.05 H new ATOM 0 HD2 TYR A 88 -0.958 -9.674 -4.585 1.00 1.69 H new ATOM 0 HE1 TYR A 88 -4.672 -7.323 -2.251 1.00 2.12 H new ATOM 0 HE2 TYR A 88 -3.319 -10.215 -5.141 1.00 1.79 H new ATOM 0 HH TYR A 88 -5.458 -9.953 -4.576 1.00 1.23 H new ATOM 872 N ASN A 89 2.413 -9.781 -1.210 1.00 0.44 N ATOM 873 CA ASN A 89 3.760 -10.189 -1.470 1.00 0.42 C ATOM 874 C ASN A 89 3.992 -10.355 -2.972 1.00 0.54 C ATOM 875 O ASN A 89 3.449 -11.274 -3.598 1.00 0.78 O ATOM 876 CB ASN A 89 3.972 -11.500 -0.720 1.00 0.47 C ATOM 877 CG ASN A 89 5.434 -11.825 -0.631 1.00 1.09 C ATOM 878 OD1 ASN A 89 6.225 -11.538 -1.517 1.00 2.14 O ATOM 879 ND2 ASN A 89 5.827 -12.413 0.460 1.00 1.03 N ATOM 0 H ASN A 89 1.828 -10.530 -0.841 1.00 0.44 H new ATOM 0 HA ASN A 89 4.474 -9.439 -1.131 1.00 0.42 H new ATOM 0 HB2 ASN A 89 3.549 -11.425 0.282 1.00 0.47 H new ATOM 0 HB3 ASN A 89 3.445 -12.306 -1.230 1.00 0.47 H new ATOM 0 HD21 ASN A 89 6.812 -12.643 0.589 1.00 1.03 H new ATOM 0 HD22 ASN A 89 5.150 -12.644 1.187 1.00 1.03 H new ATOM 886 N VAL A 90 4.819 -9.484 -3.544 1.00 0.48 N ATOM 887 CA VAL A 90 5.173 -9.534 -4.973 1.00 0.65 C ATOM 888 C VAL A 90 6.352 -10.462 -5.302 1.00 0.79 C ATOM 889 O VAL A 90 6.783 -10.500 -6.445 1.00 1.00 O ATOM 890 CB VAL A 90 5.301 -8.133 -5.600 1.00 0.73 C ATOM 891 CG1 VAL A 90 4.036 -7.309 -5.307 1.00 0.70 C ATOM 892 CG2 VAL A 90 6.535 -7.354 -5.132 1.00 0.76 C ATOM 0 H VAL A 90 5.266 -8.721 -3.036 1.00 0.48 H new ATOM 0 HA VAL A 90 4.321 -10.008 -5.460 1.00 0.65 H new ATOM 0 HB VAL A 90 5.420 -8.293 -6.672 1.00 0.73 H new ATOM 0 HG11 VAL A 90 4.135 -6.320 -5.754 1.00 0.70 H new ATOM 0 HG12 VAL A 90 3.167 -7.813 -5.730 1.00 0.70 H new ATOM 0 HG13 VAL A 90 3.908 -7.209 -4.229 1.00 0.70 H new ATOM 0 HG21 VAL A 90 6.555 -6.378 -5.617 1.00 0.76 H new ATOM 0 HG22 VAL A 90 6.493 -7.221 -4.051 1.00 0.76 H new ATOM 0 HG23 VAL A 90 7.436 -7.908 -5.394 1.00 0.76 H new ATOM 902 N LEU A 91 6.857 -11.245 -4.342 1.00 0.77 N ATOM 903 CA LEU A 91 7.856 -12.302 -4.576 1.00 0.94 C ATOM 904 C LEU A 91 7.221 -13.668 -4.859 1.00 0.86 C ATOM 905 O LEU A 91 7.893 -14.570 -5.361 1.00 0.92 O ATOM 906 CB LEU A 91 8.786 -12.426 -3.360 1.00 1.02 C ATOM 907 CG LEU A 91 9.545 -11.150 -2.996 1.00 1.30 C ATOM 908 CD1 LEU A 91 10.336 -11.401 -1.718 1.00 1.44 C ATOM 909 CD2 LEU A 91 10.509 -10.733 -4.108 1.00 1.87 C ATOM 0 H LEU A 91 6.581 -11.163 -3.364 1.00 0.77 H new ATOM 0 HA LEU A 91 8.419 -12.008 -5.462 1.00 0.94 H new ATOM 0 HB2 LEU A 91 8.194 -12.737 -2.499 1.00 1.02 H new ATOM 0 HB3 LEU A 91 9.509 -13.218 -3.553 1.00 1.02 H new ATOM 0 HG LEU A 91 8.823 -10.346 -2.856 1.00 1.30 H new ATOM 0 HD11 LEU A 91 10.883 -10.499 -1.446 1.00 1.44 H new ATOM 0 HD12 LEU A 91 9.651 -11.667 -0.913 1.00 1.44 H new ATOM 0 HD13 LEU A 91 11.040 -12.217 -1.880 1.00 1.44 H new ATOM 0 HD21 LEU A 91 11.031 -9.822 -3.814 1.00 1.87 H new ATOM 0 HD22 LEU A 91 11.235 -11.528 -4.278 1.00 1.87 H new ATOM 0 HD23 LEU A 91 9.949 -10.551 -5.025 1.00 1.87 H new ATOM 921 N ASP A 92 5.935 -13.822 -4.547 1.00 0.84 N ATOM 922 CA ASP A 92 5.184 -15.077 -4.677 1.00 0.92 C ATOM 923 C ASP A 92 4.972 -15.471 -6.151 1.00 0.84 C ATOM 924 O ASP A 92 5.213 -16.616 -6.549 1.00 0.85 O ATOM 925 CB ASP A 92 3.856 -14.891 -3.948 1.00 1.10 C ATOM 926 CG ASP A 92 3.103 -16.188 -3.636 1.00 1.50 C ATOM 927 OD1 ASP A 92 3.722 -17.206 -3.242 1.00 1.49 O ATOM 928 OD2 ASP A 92 1.856 -16.190 -3.783 1.00 3.04 O ATOM 0 H ASP A 92 5.367 -13.056 -4.186 1.00 0.84 H new ATOM 0 HA ASP A 92 5.748 -15.897 -4.233 1.00 0.92 H new ATOM 0 HB2 ASP A 92 4.043 -14.363 -3.013 1.00 1.10 H new ATOM 0 HB3 ASP A 92 3.213 -14.251 -4.553 1.00 1.10 H new ATOM 933 N ASP A 93 4.609 -14.482 -6.972 1.00 0.83 N ATOM 934 CA ASP A 93 4.385 -14.587 -8.414 1.00 0.82 C ATOM 935 C ASP A 93 5.269 -13.610 -9.226 1.00 0.81 C ATOM 936 O ASP A 93 5.244 -12.398 -8.963 1.00 0.67 O ATOM 937 CB ASP A 93 2.910 -14.289 -8.702 1.00 1.02 C ATOM 938 CG ASP A 93 2.015 -15.513 -8.529 1.00 1.17 C ATOM 939 OD1 ASP A 93 1.953 -16.358 -9.454 1.00 2.28 O ATOM 940 OD2 ASP A 93 1.364 -15.648 -7.469 1.00 1.42 O ATOM 0 H ASP A 93 4.455 -13.534 -6.628 1.00 0.83 H new ATOM 0 HA ASP A 93 4.654 -15.598 -8.721 1.00 0.82 H new ATOM 0 HB2 ASP A 93 2.567 -13.497 -8.036 1.00 1.02 H new ATOM 0 HB3 ASP A 93 2.812 -13.914 -9.721 1.00 1.02 H new ATOM 945 N PRO A 94 5.960 -14.075 -10.289 1.00 1.00 N ATOM 946 CA PRO A 94 6.783 -13.203 -11.131 1.00 0.98 C ATOM 947 C PRO A 94 5.936 -12.163 -11.873 1.00 0.81 C ATOM 948 O PRO A 94 6.382 -11.042 -12.090 1.00 0.71 O ATOM 949 CB PRO A 94 7.511 -14.142 -12.096 1.00 1.31 C ATOM 950 CG PRO A 94 6.565 -15.334 -12.221 1.00 1.43 C ATOM 951 CD PRO A 94 5.961 -15.434 -10.821 1.00 1.27 C ATOM 0 HA PRO A 94 7.486 -12.619 -10.537 1.00 0.98 H new ATOM 0 HB2 PRO A 94 7.687 -13.667 -13.061 1.00 1.31 H new ATOM 0 HB3 PRO A 94 8.484 -14.442 -11.706 1.00 1.31 H new ATOM 0 HG2 PRO A 94 5.801 -15.166 -12.980 1.00 1.43 H new ATOM 0 HG3 PRO A 94 7.096 -16.245 -12.499 1.00 1.43 H new ATOM 0 HD2 PRO A 94 4.950 -15.839 -10.860 1.00 1.27 H new ATOM 0 HD3 PRO A 94 6.548 -16.101 -10.189 1.00 1.27 H new ATOM 959 N GLU A 95 4.680 -12.485 -12.189 1.00 0.86 N ATOM 960 CA GLU A 95 3.717 -11.575 -12.772 1.00 0.81 C ATOM 961 C GLU A 95 3.317 -10.440 -11.829 1.00 0.67 C ATOM 962 O GLU A 95 3.186 -9.304 -12.279 1.00 0.69 O ATOM 963 CB GLU A 95 2.490 -12.393 -13.140 1.00 1.03 C ATOM 964 CG GLU A 95 2.777 -13.583 -14.068 1.00 1.20 C ATOM 965 CD GLU A 95 3.724 -13.239 -15.228 1.00 2.22 C ATOM 966 OE1 GLU A 95 3.395 -12.358 -16.055 1.00 3.36 O ATOM 967 OE2 GLU A 95 4.827 -13.831 -15.316 1.00 3.12 O ATOM 0 H GLU A 95 4.302 -13.420 -12.037 1.00 0.86 H new ATOM 0 HA GLU A 95 4.169 -11.100 -13.643 1.00 0.81 H new ATOM 0 HB2 GLU A 95 2.028 -12.764 -12.225 1.00 1.03 H new ATOM 0 HB3 GLU A 95 1.763 -11.739 -13.622 1.00 1.03 H new ATOM 0 HG2 GLU A 95 3.211 -14.394 -13.483 1.00 1.20 H new ATOM 0 HG3 GLU A 95 1.836 -13.952 -14.475 1.00 1.20 H new ATOM 974 N LEU A 96 3.184 -10.723 -10.524 1.00 0.59 N ATOM 975 CA LEU A 96 2.998 -9.669 -9.522 1.00 0.50 C ATOM 976 C LEU A 96 4.244 -8.776 -9.498 1.00 0.45 C ATOM 977 O LEU A 96 4.130 -7.553 -9.562 1.00 0.43 O ATOM 978 CB LEU A 96 2.754 -10.224 -8.098 1.00 0.51 C ATOM 979 CG LEU A 96 1.352 -10.756 -7.758 1.00 0.54 C ATOM 980 CD1 LEU A 96 1.352 -11.297 -6.322 1.00 0.61 C ATOM 981 CD2 LEU A 96 0.285 -9.662 -7.826 1.00 0.66 C ATOM 0 H LEU A 96 3.202 -11.669 -10.142 1.00 0.59 H new ATOM 0 HA LEU A 96 2.109 -9.106 -9.809 1.00 0.50 H new ATOM 0 HB2 LEU A 96 3.467 -11.031 -7.928 1.00 0.51 H new ATOM 0 HB3 LEU A 96 2.992 -9.433 -7.387 1.00 0.51 H new ATOM 0 HG LEU A 96 1.118 -11.529 -8.490 1.00 0.54 H new ATOM 0 HD11 LEU A 96 0.360 -11.676 -6.076 1.00 0.61 H new ATOM 0 HD12 LEU A 96 2.080 -12.104 -6.237 1.00 0.61 H new ATOM 0 HD13 LEU A 96 1.616 -10.496 -5.631 1.00 0.61 H new ATOM 0 HD21 LEU A 96 -0.688 -10.087 -7.578 1.00 0.66 H new ATOM 0 HD22 LEU A 96 0.528 -8.872 -7.115 1.00 0.66 H new ATOM 0 HD23 LEU A 96 0.253 -9.247 -8.833 1.00 0.66 H new ATOM 993 N ARG A 97 5.428 -9.401 -9.444 1.00 0.49 N ATOM 994 CA ARG A 97 6.736 -8.727 -9.373 1.00 0.53 C ATOM 995 C ARG A 97 6.965 -7.766 -10.542 1.00 0.49 C ATOM 996 O ARG A 97 7.052 -6.546 -10.380 1.00 0.50 O ATOM 997 CB ARG A 97 7.812 -9.830 -9.306 1.00 0.67 C ATOM 998 CG ARG A 97 9.065 -9.428 -8.527 1.00 0.92 C ATOM 999 CD ARG A 97 9.859 -10.711 -8.276 1.00 1.23 C ATOM 1000 NE ARG A 97 11.096 -10.457 -7.529 1.00 2.01 N ATOM 1001 CZ ARG A 97 12.033 -11.349 -7.278 1.00 2.44 C ATOM 1002 NH1 ARG A 97 11.955 -12.582 -7.683 1.00 1.72 N ATOM 1003 NH2 ARG A 97 13.089 -11.044 -6.587 1.00 3.98 N ATOM 0 H ARG A 97 5.507 -10.418 -9.449 1.00 0.49 H new ATOM 0 HA ARG A 97 6.783 -8.097 -8.485 1.00 0.53 H new ATOM 0 HB2 ARG A 97 7.379 -10.718 -8.846 1.00 0.67 H new ATOM 0 HB3 ARG A 97 8.100 -10.105 -10.321 1.00 0.67 H new ATOM 0 HG2 ARG A 97 9.659 -8.710 -9.093 1.00 0.92 H new ATOM 0 HG3 ARG A 97 8.798 -8.948 -7.585 1.00 0.92 H new ATOM 0 HD2 ARG A 97 9.240 -11.417 -7.722 1.00 1.23 H new ATOM 0 HD3 ARG A 97 10.102 -11.179 -9.230 1.00 1.23 H new ATOM 0 HE ARG A 97 11.243 -9.512 -7.175 1.00 2.01 H new ATOM 0 HH11 ARG A 97 11.144 -12.893 -8.218 1.00 1.72 H new ATOM 0 HH12 ARG A 97 12.705 -13.239 -7.465 1.00 1.72 H new ATOM 0 HH21 ARG A 97 13.206 -10.097 -6.226 1.00 3.98 H new ATOM 0 HH22 ARG A 97 13.801 -11.751 -6.405 1.00 3.98 H new ATOM 1017 N GLN A 98 7.001 -8.313 -11.750 1.00 0.47 N ATOM 1018 CA GLN A 98 7.295 -7.559 -12.959 1.00 0.51 C ATOM 1019 C GLN A 98 6.117 -6.699 -13.396 1.00 0.55 C ATOM 1020 O GLN A 98 6.316 -5.600 -13.926 1.00 0.67 O ATOM 1021 CB GLN A 98 7.710 -8.534 -14.069 1.00 0.70 C ATOM 1022 CG GLN A 98 8.797 -7.929 -14.963 1.00 1.53 C ATOM 1023 CD GLN A 98 8.972 -8.739 -16.239 1.00 2.15 C ATOM 1024 OE1 GLN A 98 9.822 -9.620 -16.343 1.00 2.80 O ATOM 1025 NE2 GLN A 98 8.153 -8.499 -17.238 1.00 2.50 N ATOM 0 H GLN A 98 6.825 -9.303 -11.919 1.00 0.47 H new ATOM 0 HA GLN A 98 8.116 -6.873 -12.750 1.00 0.51 H new ATOM 0 HB2 GLN A 98 8.075 -9.460 -13.625 1.00 0.70 H new ATOM 0 HB3 GLN A 98 6.840 -8.792 -14.674 1.00 0.70 H new ATOM 0 HG2 GLN A 98 8.535 -6.901 -15.214 1.00 1.53 H new ATOM 0 HG3 GLN A 98 9.741 -7.893 -14.419 1.00 1.53 H new ATOM 0 HE21 GLN A 98 7.447 -7.768 -17.154 1.00 2.50 H new ATOM 0 HE22 GLN A 98 8.224 -9.044 -18.098 1.00 2.50 H new ATOM 1034 N GLY A 99 4.897 -7.164 -13.119 1.00 0.51 N ATOM 1035 CA GLY A 99 3.697 -6.376 -13.321 1.00 0.58 C ATOM 1036 C GLY A 99 3.720 -5.081 -12.513 1.00 0.55 C ATOM 1037 O GLY A 99 3.461 -4.031 -13.099 1.00 0.64 O ATOM 0 H GLY A 99 4.722 -8.098 -12.749 1.00 0.51 H new ATOM 0 HA2 GLY A 99 3.592 -6.141 -14.380 1.00 0.58 H new ATOM 0 HA3 GLY A 99 2.825 -6.965 -13.037 1.00 0.58 H new ATOM 1041 N ILE A 100 4.089 -5.113 -11.222 1.00 0.50 N ATOM 1042 CA ILE A 100 4.086 -3.917 -10.372 1.00 0.54 C ATOM 1043 C ILE A 100 5.289 -3.016 -10.639 1.00 0.56 C ATOM 1044 O ILE A 100 5.134 -1.790 -10.656 1.00 0.65 O ATOM 1045 CB ILE A 100 3.916 -4.279 -8.897 1.00 0.52 C ATOM 1046 CG1 ILE A 100 3.318 -3.106 -8.112 1.00 0.54 C ATOM 1047 CG2 ILE A 100 5.210 -4.715 -8.183 1.00 0.53 C ATOM 1048 CD1 ILE A 100 2.011 -2.463 -8.596 1.00 0.64 C ATOM 0 H ILE A 100 4.394 -5.961 -10.744 1.00 0.50 H new ATOM 0 HA ILE A 100 3.213 -3.323 -10.643 1.00 0.54 H new ATOM 0 HB ILE A 100 3.246 -5.138 -8.909 1.00 0.52 H new ATOM 0 HG12 ILE A 100 3.156 -3.446 -7.089 1.00 0.54 H new ATOM 0 HG13 ILE A 100 4.073 -2.321 -8.071 1.00 0.54 H new ATOM 0 HG21 ILE A 100 4.989 -4.951 -7.142 1.00 0.53 H new ATOM 0 HG22 ILE A 100 5.618 -5.597 -8.677 1.00 0.53 H new ATOM 0 HG23 ILE A 100 5.939 -3.906 -8.225 1.00 0.53 H new ATOM 0 HD11 ILE A 100 1.734 -1.651 -7.924 1.00 0.64 H new ATOM 0 HD12 ILE A 100 2.150 -2.069 -9.603 1.00 0.64 H new ATOM 0 HD13 ILE A 100 1.219 -3.212 -8.605 1.00 0.64 H new ATOM 1060 N LYS A 101 6.463 -3.616 -10.909 1.00 0.53 N ATOM 1061 CA LYS A 101 7.667 -2.873 -11.313 1.00 0.57 C ATOM 1062 C LYS A 101 7.403 -2.044 -12.572 1.00 0.60 C ATOM 1063 O LYS A 101 7.633 -0.837 -12.556 1.00 0.71 O ATOM 1064 CB LYS A 101 8.854 -3.839 -11.491 1.00 0.63 C ATOM 1065 CG LYS A 101 9.385 -4.341 -10.136 1.00 0.71 C ATOM 1066 CD LYS A 101 10.408 -5.479 -10.273 1.00 0.87 C ATOM 1067 CE LYS A 101 11.746 -4.984 -10.834 1.00 1.12 C ATOM 1068 NZ LYS A 101 12.737 -6.078 -10.925 1.00 1.38 N ATOM 0 H LYS A 101 6.602 -4.625 -10.853 1.00 0.53 H new ATOM 0 HA LYS A 101 7.930 -2.170 -10.523 1.00 0.57 H new ATOM 0 HB2 LYS A 101 8.544 -4.689 -12.098 1.00 0.63 H new ATOM 0 HB3 LYS A 101 9.655 -3.336 -12.032 1.00 0.63 H new ATOM 0 HG2 LYS A 101 9.845 -3.509 -9.602 1.00 0.71 H new ATOM 0 HG3 LYS A 101 8.547 -4.685 -9.529 1.00 0.71 H new ATOM 0 HD2 LYS A 101 10.571 -5.939 -9.298 1.00 0.87 H new ATOM 0 HD3 LYS A 101 10.005 -6.252 -10.927 1.00 0.87 H new ATOM 0 HE2 LYS A 101 11.589 -4.552 -11.822 1.00 1.12 H new ATOM 0 HE3 LYS A 101 12.137 -4.190 -10.197 1.00 1.12 H new ATOM 0 HZ1 LYS A 101 13.630 -5.707 -11.308 1.00 1.38 H new ATOM 0 HZ2 LYS A 101 12.905 -6.474 -9.978 1.00 1.38 H new ATOM 0 HZ3 LYS A 101 12.374 -6.824 -11.553 1.00 1.38 H new ATOM 1082 N ASP A 102 6.826 -2.652 -13.612 1.00 0.71 N ATOM 1083 CA ASP A 102 6.492 -1.949 -14.857 1.00 0.93 C ATOM 1084 C ASP A 102 5.364 -0.918 -14.677 1.00 1.03 C ATOM 1085 O ASP A 102 5.521 0.237 -15.074 1.00 1.20 O ATOM 1086 CB ASP A 102 6.135 -2.976 -15.937 1.00 1.06 C ATOM 1087 CG ASP A 102 5.957 -2.311 -17.301 1.00 1.30 C ATOM 1088 OD1 ASP A 102 4.839 -1.833 -17.607 1.00 1.42 O ATOM 1089 OD2 ASP A 102 6.943 -2.259 -18.073 1.00 2.43 O ATOM 0 H ASP A 102 6.577 -3.641 -13.617 1.00 0.71 H new ATOM 0 HA ASP A 102 7.369 -1.380 -15.166 1.00 0.93 H new ATOM 0 HB2 ASP A 102 6.920 -3.730 -15.998 1.00 1.06 H new ATOM 0 HB3 ASP A 102 5.216 -3.493 -15.660 1.00 1.06 H new ATOM 1094 N TYR A 103 4.255 -1.294 -14.030 1.00 0.97 N ATOM 1095 CA TYR A 103 3.102 -0.421 -13.770 1.00 1.04 C ATOM 1096 C TYR A 103 3.512 0.865 -13.031 1.00 1.23 C ATOM 1097 O TYR A 103 3.086 1.959 -13.406 1.00 1.48 O ATOM 1098 CB TYR A 103 2.105 -1.276 -12.975 1.00 0.91 C ATOM 1099 CG TYR A 103 0.733 -0.723 -12.656 1.00 0.79 C ATOM 1100 CD1 TYR A 103 0.540 0.059 -11.504 1.00 1.71 C ATOM 1101 CD2 TYR A 103 -0.373 -1.154 -13.412 1.00 1.95 C ATOM 1102 CE1 TYR A 103 -0.770 0.387 -11.091 1.00 1.82 C ATOM 1103 CE2 TYR A 103 -1.684 -0.844 -12.994 1.00 1.85 C ATOM 1104 CZ TYR A 103 -1.883 -0.077 -11.828 1.00 0.78 C ATOM 1105 OH TYR A 103 -3.155 0.195 -11.424 1.00 0.91 O ATOM 0 H TYR A 103 4.130 -2.237 -13.663 1.00 0.97 H new ATOM 0 HA TYR A 103 2.649 -0.066 -14.696 1.00 1.04 H new ATOM 0 HB2 TYR A 103 1.962 -2.206 -13.525 1.00 0.91 H new ATOM 0 HB3 TYR A 103 2.580 -1.535 -12.029 1.00 0.91 H new ATOM 0 HD1 TYR A 103 1.390 0.408 -10.937 1.00 1.71 H new ATOM 0 HD2 TYR A 103 -0.217 -1.724 -14.316 1.00 1.95 H new ATOM 0 HE1 TYR A 103 -0.922 0.994 -10.210 1.00 1.82 H new ATOM 0 HE2 TYR A 103 -2.532 -1.193 -13.565 1.00 1.85 H new ATOM 0 HH TYR A 103 -3.791 -0.204 -12.054 1.00 0.91 H new ATOM 1115 N SER A 104 4.416 0.750 -12.050 1.00 1.18 N ATOM 1116 CA SER A 104 4.979 1.877 -11.280 1.00 1.31 C ATOM 1117 C SER A 104 6.151 2.598 -11.971 1.00 1.43 C ATOM 1118 O SER A 104 6.608 3.644 -11.497 1.00 1.61 O ATOM 1119 CB SER A 104 5.483 1.369 -9.924 1.00 1.44 C ATOM 1120 OG SER A 104 4.531 0.534 -9.294 1.00 1.75 O ATOM 0 H SER A 104 4.789 -0.153 -11.758 1.00 1.18 H new ATOM 0 HA SER A 104 4.166 2.596 -11.181 1.00 1.31 H new ATOM 0 HB2 SER A 104 6.414 0.819 -10.064 1.00 1.44 H new ATOM 0 HB3 SER A 104 5.708 2.217 -9.278 1.00 1.44 H new ATOM 0 HG SER A 104 4.595 -0.372 -9.663 1.00 1.75 H new ATOM 1126 N ASN A 105 6.679 2.004 -13.045 1.00 1.37 N ATOM 1127 CA ASN A 105 7.984 2.287 -13.665 1.00 1.43 C ATOM 1128 C ASN A 105 9.178 2.333 -12.674 1.00 1.25 C ATOM 1129 O ASN A 105 10.090 3.154 -12.816 1.00 1.17 O ATOM 1130 CB ASN A 105 7.875 3.517 -14.586 1.00 1.85 C ATOM 1131 CG ASN A 105 8.799 3.404 -15.777 1.00 2.09 C ATOM 1132 OD1 ASN A 105 8.421 2.969 -16.853 1.00 2.37 O ATOM 1133 ND2 ASN A 105 10.048 3.741 -15.614 1.00 2.15 N ATOM 0 H ASN A 105 6.178 1.265 -13.539 1.00 1.37 H new ATOM 0 HA ASN A 105 8.238 1.429 -14.288 1.00 1.43 H new ATOM 0 HB2 ASN A 105 6.847 3.624 -14.931 1.00 1.85 H new ATOM 0 HB3 ASN A 105 8.117 4.418 -14.021 1.00 1.85 H new ATOM 0 HD21 ASN A 105 10.708 3.641 -16.385 1.00 2.15 H new ATOM 0 HD22 ASN A 105 10.365 4.105 -14.715 1.00 2.15 H new ATOM 1140 N TRP A 106 9.168 1.489 -11.638 1.00 1.22 N ATOM 1141 CA TRP A 106 10.123 1.502 -10.521 1.00 0.99 C ATOM 1142 C TRP A 106 10.784 0.125 -10.344 1.00 0.93 C ATOM 1143 O TRP A 106 10.152 -0.892 -10.637 1.00 1.31 O ATOM 1144 CB TRP A 106 9.415 1.964 -9.231 1.00 1.08 C ATOM 1145 CG TRP A 106 9.992 3.192 -8.592 1.00 1.05 C ATOM 1146 CD1 TRP A 106 10.609 3.245 -7.387 1.00 1.11 C ATOM 1147 CD2 TRP A 106 10.013 4.562 -9.107 1.00 1.15 C ATOM 1148 NE1 TRP A 106 11.020 4.537 -7.126 1.00 1.23 N ATOM 1149 CE2 TRP A 106 10.683 5.391 -8.154 1.00 1.21 C ATOM 1150 CE3 TRP A 106 9.545 5.191 -10.284 1.00 1.33 C ATOM 1151 CZ2 TRP A 106 10.888 6.763 -8.364 1.00 1.35 C ATOM 1152 CZ3 TRP A 106 9.760 6.565 -10.508 1.00 1.48 C ATOM 1153 CH2 TRP A 106 10.428 7.351 -9.554 1.00 1.45 C ATOM 0 H TRP A 106 8.470 0.750 -11.549 1.00 1.22 H new ATOM 0 HA TRP A 106 10.919 2.211 -10.746 1.00 0.99 H new ATOM 0 HB2 TRP A 106 8.365 2.151 -9.458 1.00 1.08 H new ATOM 0 HB3 TRP A 106 9.444 1.149 -8.508 1.00 1.08 H new ATOM 0 HD1 TRP A 106 10.757 2.402 -6.728 1.00 1.11 H new ATOM 0 HE1 TRP A 106 11.511 4.823 -6.279 1.00 1.23 H new ATOM 0 HE3 TRP A 106 9.014 4.609 -11.023 1.00 1.33 H new ATOM 0 HZ2 TRP A 106 11.394 7.360 -7.619 1.00 1.35 H new ATOM 0 HZ3 TRP A 106 9.408 7.019 -11.422 1.00 1.48 H new ATOM 0 HH2 TRP A 106 10.587 8.404 -9.735 1.00 1.45 H new ATOM 1164 N PRO A 107 12.033 0.055 -9.851 1.00 0.71 N ATOM 1165 CA PRO A 107 12.705 -1.216 -9.568 1.00 0.71 C ATOM 1166 C PRO A 107 12.222 -1.870 -8.261 1.00 0.67 C ATOM 1167 O PRO A 107 12.125 -3.094 -8.167 1.00 0.71 O ATOM 1168 CB PRO A 107 14.196 -0.858 -9.511 1.00 0.80 C ATOM 1169 CG PRO A 107 14.203 0.603 -9.054 1.00 1.09 C ATOM 1170 CD PRO A 107 12.942 1.180 -9.677 1.00 0.76 C ATOM 0 HA PRO A 107 12.485 -1.961 -10.332 1.00 0.71 H new ATOM 0 HB2 PRO A 107 14.735 -1.498 -8.813 1.00 0.80 H new ATOM 0 HB3 PRO A 107 14.673 -0.975 -10.484 1.00 0.80 H new ATOM 0 HG2 PRO A 107 14.186 0.683 -7.967 1.00 1.09 H new ATOM 0 HG3 PRO A 107 15.095 1.126 -9.398 1.00 1.09 H new ATOM 0 HD2 PRO A 107 12.502 1.942 -9.034 1.00 0.76 H new ATOM 0 HD3 PRO A 107 13.161 1.657 -10.632 1.00 0.76 H new ATOM 1178 N THR A 108 11.908 -1.070 -7.236 1.00 0.71 N ATOM 1179 CA THR A 108 11.542 -1.562 -5.896 1.00 0.87 C ATOM 1180 C THR A 108 10.856 -0.483 -5.059 1.00 0.93 C ATOM 1181 O THR A 108 11.300 0.665 -5.000 1.00 1.74 O ATOM 1182 CB THR A 108 12.759 -2.142 -5.149 1.00 1.22 C ATOM 1183 OG1 THR A 108 12.372 -2.565 -3.862 1.00 2.73 O ATOM 1184 CG2 THR A 108 13.942 -1.186 -5.014 1.00 2.20 C ATOM 0 H THR A 108 11.900 -0.053 -7.310 1.00 0.71 H new ATOM 0 HA THR A 108 10.825 -2.369 -6.046 1.00 0.87 H new ATOM 0 HB THR A 108 13.102 -2.975 -5.763 1.00 1.22 H new ATOM 0 HG1 THR A 108 13.148 -2.934 -3.392 1.00 2.73 H new ATOM 0 HG21 THR A 108 14.750 -1.681 -4.475 1.00 2.20 H new ATOM 0 HG22 THR A 108 14.291 -0.896 -6.005 1.00 2.20 H new ATOM 0 HG23 THR A 108 13.631 -0.297 -4.465 1.00 2.20 H new ATOM 1192 N ILE A 109 9.717 -0.839 -4.469 1.00 1.01 N ATOM 1193 CA ILE A 109 8.926 -0.024 -3.536 1.00 0.98 C ATOM 1194 C ILE A 109 8.315 -0.913 -2.433 1.00 1.05 C ATOM 1195 O ILE A 109 8.138 -2.117 -2.668 1.00 2.06 O ATOM 1196 CB ILE A 109 7.820 0.794 -4.249 1.00 1.94 C ATOM 1197 CG1 ILE A 109 7.884 0.886 -5.790 1.00 3.36 C ATOM 1198 CG2 ILE A 109 7.856 2.232 -3.699 1.00 1.47 C ATOM 1199 CD1 ILE A 109 7.311 -0.338 -6.521 1.00 5.66 C ATOM 0 H ILE A 109 9.294 -1.752 -4.635 1.00 1.01 H new ATOM 0 HA ILE A 109 9.608 0.695 -3.083 1.00 0.98 H new ATOM 0 HB ILE A 109 6.902 0.245 -4.037 1.00 1.94 H new ATOM 0 HG12 ILE A 109 7.340 1.774 -6.112 1.00 3.36 H new ATOM 0 HG13 ILE A 109 8.923 1.021 -6.091 1.00 3.36 H new ATOM 0 HG21 ILE A 109 7.085 2.828 -4.187 1.00 1.47 H new ATOM 0 HG22 ILE A 109 7.675 2.215 -2.624 1.00 1.47 H new ATOM 0 HG23 ILE A 109 8.833 2.672 -3.896 1.00 1.47 H new ATOM 0 HD11 ILE A 109 7.395 -0.191 -7.598 1.00 5.66 H new ATOM 0 HD12 ILE A 109 7.869 -1.229 -6.232 1.00 5.66 H new ATOM 0 HD13 ILE A 109 6.262 -0.464 -6.253 1.00 5.66 H new ATOM 1211 N PRO A 110 7.861 -0.328 -1.307 1.00 0.64 N ATOM 1212 CA PRO A 110 6.525 -0.661 -0.798 1.00 0.77 C ATOM 1213 C PRO A 110 5.487 0.385 -1.209 1.00 0.46 C ATOM 1214 O PRO A 110 5.799 1.571 -1.153 1.00 0.43 O ATOM 1215 CB PRO A 110 6.632 -0.779 0.723 1.00 1.18 C ATOM 1216 CG PRO A 110 8.126 -0.951 0.951 1.00 0.60 C ATOM 1217 CD PRO A 110 8.726 -0.097 -0.157 1.00 0.64 C ATOM 0 HA PRO A 110 6.184 -1.603 -1.227 1.00 0.77 H new ATOM 0 HB2 PRO A 110 6.247 0.109 1.224 1.00 1.18 H new ATOM 0 HB3 PRO A 110 6.066 -1.630 1.102 1.00 1.18 H new ATOM 0 HG2 PRO A 110 8.429 -0.605 1.939 1.00 0.60 H new ATOM 0 HG3 PRO A 110 8.432 -1.994 0.871 1.00 0.60 H new ATOM 0 HD2 PRO A 110 8.744 0.957 0.120 1.00 0.64 H new ATOM 0 HD3 PRO A 110 9.755 -0.388 -0.369 1.00 0.64 H new ATOM 1225 N GLN A 111 4.262 -0.010 -1.564 1.00 0.42 N ATOM 1226 CA GLN A 111 3.169 0.900 -1.936 1.00 0.42 C ATOM 1227 C GLN A 111 1.890 0.612 -1.143 1.00 0.41 C ATOM 1228 O GLN A 111 1.694 -0.495 -0.631 1.00 0.44 O ATOM 1229 CB GLN A 111 2.874 0.764 -3.441 1.00 0.71 C ATOM 1230 CG GLN A 111 3.883 1.491 -4.339 1.00 0.87 C ATOM 1231 CD GLN A 111 3.770 1.078 -5.805 1.00 1.37 C ATOM 1232 OE1 GLN A 111 3.155 0.090 -6.178 1.00 2.03 O ATOM 1233 NE2 GLN A 111 4.350 1.815 -6.715 1.00 2.30 N ATOM 0 H GLN A 111 3.993 -0.993 -1.603 1.00 0.42 H new ATOM 0 HA GLN A 111 3.490 1.915 -1.701 1.00 0.42 H new ATOM 0 HB2 GLN A 111 2.863 -0.293 -3.705 1.00 0.71 H new ATOM 0 HB3 GLN A 111 1.876 1.153 -3.643 1.00 0.71 H new ATOM 0 HG2 GLN A 111 3.729 2.567 -4.256 1.00 0.87 H new ATOM 0 HG3 GLN A 111 4.893 1.286 -3.984 1.00 0.87 H new ATOM 0 HE21 GLN A 111 4.872 2.647 -6.441 1.00 2.30 H new ATOM 0 HE22 GLN A 111 4.281 1.558 -7.700 1.00 2.30 H new ATOM 1242 N VAL A 112 0.969 1.581 -1.125 1.00 0.41 N ATOM 1243 CA VAL A 112 -0.444 1.329 -0.856 1.00 0.40 C ATOM 1244 C VAL A 112 -1.297 2.071 -1.880 1.00 0.43 C ATOM 1245 O VAL A 112 -1.003 3.215 -2.241 1.00 0.65 O ATOM 1246 CB VAL A 112 -0.801 1.647 0.606 1.00 0.40 C ATOM 1247 CG1 VAL A 112 -0.747 3.133 0.969 1.00 0.43 C ATOM 1248 CG2 VAL A 112 -2.180 1.097 0.986 1.00 0.39 C ATOM 0 H VAL A 112 1.186 2.563 -1.297 1.00 0.41 H new ATOM 0 HA VAL A 112 -0.660 0.267 -0.972 1.00 0.40 H new ATOM 0 HB VAL A 112 -0.021 1.147 1.180 1.00 0.40 H new ATOM 0 HG11 VAL A 112 -1.013 3.261 2.018 1.00 0.43 H new ATOM 0 HG12 VAL A 112 0.261 3.512 0.802 1.00 0.43 H new ATOM 0 HG13 VAL A 112 -1.450 3.686 0.346 1.00 0.43 H new ATOM 0 HG21 VAL A 112 -2.396 1.342 2.026 1.00 0.39 H new ATOM 0 HG22 VAL A 112 -2.939 1.543 0.343 1.00 0.39 H new ATOM 0 HG23 VAL A 112 -2.187 0.014 0.859 1.00 0.39 H new ATOM 1258 N TYR A 113 -2.339 1.397 -2.358 1.00 0.34 N ATOM 1259 CA TYR A 113 -3.366 1.981 -3.223 1.00 0.33 C ATOM 1260 C TYR A 113 -4.671 2.036 -2.433 1.00 0.34 C ATOM 1261 O TYR A 113 -5.080 1.030 -1.839 1.00 0.36 O ATOM 1262 CB TYR A 113 -3.528 1.172 -4.519 1.00 0.33 C ATOM 1263 CG TYR A 113 -2.293 1.148 -5.401 1.00 0.36 C ATOM 1264 CD1 TYR A 113 -1.189 0.369 -5.017 1.00 2.19 C ATOM 1265 CD2 TYR A 113 -2.243 1.874 -6.607 1.00 2.04 C ATOM 1266 CE1 TYR A 113 -0.033 0.319 -5.810 1.00 2.30 C ATOM 1267 CE2 TYR A 113 -1.088 1.823 -7.412 1.00 1.98 C ATOM 1268 CZ TYR A 113 0.027 1.056 -7.011 1.00 0.59 C ATOM 1269 OH TYR A 113 1.158 1.051 -7.766 1.00 0.77 O ATOM 0 H TYR A 113 -2.499 0.411 -2.153 1.00 0.34 H new ATOM 0 HA TYR A 113 -3.073 2.987 -3.523 1.00 0.33 H new ATOM 0 HB2 TYR A 113 -3.796 0.147 -4.262 1.00 0.33 H new ATOM 0 HB3 TYR A 113 -4.359 1.586 -5.090 1.00 0.33 H new ATOM 0 HD1 TYR A 113 -1.231 -0.199 -4.099 1.00 2.19 H new ATOM 0 HD2 TYR A 113 -3.090 2.470 -6.914 1.00 2.04 H new ATOM 0 HE1 TYR A 113 0.809 -0.283 -5.502 1.00 2.30 H new ATOM 0 HE2 TYR A 113 -1.056 2.374 -8.341 1.00 1.98 H new ATOM 0 HH TYR A 113 1.847 0.515 -7.320 1.00 0.77 H new ATOM 1279 N LEU A 114 -5.322 3.201 -2.423 1.00 0.36 N ATOM 1280 CA LEU A 114 -6.623 3.384 -1.780 1.00 0.38 C ATOM 1281 C LEU A 114 -7.713 3.517 -2.831 1.00 0.42 C ATOM 1282 O LEU A 114 -7.630 4.369 -3.717 1.00 0.46 O ATOM 1283 CB LEU A 114 -6.635 4.545 -0.771 1.00 0.40 C ATOM 1284 CG LEU A 114 -6.476 4.097 0.692 1.00 0.43 C ATOM 1285 CD1 LEU A 114 -5.109 3.504 0.990 1.00 0.43 C ATOM 1286 CD2 LEU A 114 -6.747 5.288 1.607 1.00 0.51 C ATOM 0 H LEU A 114 -4.959 4.047 -2.863 1.00 0.36 H new ATOM 0 HA LEU A 114 -6.828 2.491 -1.189 1.00 0.38 H new ATOM 0 HB2 LEU A 114 -5.831 5.238 -1.019 1.00 0.40 H new ATOM 0 HB3 LEU A 114 -7.571 5.094 -0.874 1.00 0.40 H new ATOM 0 HG LEU A 114 -7.198 3.301 0.873 1.00 0.43 H new ATOM 0 HD11 LEU A 114 -5.061 3.208 2.038 1.00 0.43 H new ATOM 0 HD12 LEU A 114 -4.946 2.631 0.359 1.00 0.43 H new ATOM 0 HD13 LEU A 114 -4.338 4.247 0.788 1.00 0.43 H new ATOM 0 HD21 LEU A 114 -6.637 4.980 2.647 1.00 0.51 H new ATOM 0 HD22 LEU A 114 -6.037 6.085 1.387 1.00 0.51 H new ATOM 0 HD23 LEU A 114 -7.762 5.651 1.442 1.00 0.51 H new ATOM 1298 N ASN A 115 -8.740 2.674 -2.716 1.00 0.42 N ATOM 1299 CA ASN A 115 -9.836 2.594 -3.690 1.00 0.46 C ATOM 1300 C ASN A 115 -9.353 2.308 -5.135 1.00 0.45 C ATOM 1301 O ASN A 115 -9.879 2.854 -6.104 1.00 0.53 O ATOM 1302 CB ASN A 115 -10.686 3.869 -3.565 1.00 0.52 C ATOM 1303 CG ASN A 115 -12.153 3.630 -3.837 1.00 0.62 C ATOM 1304 OD1 ASN A 115 -12.597 2.540 -4.170 1.00 0.65 O ATOM 1305 ND2 ASN A 115 -12.971 4.618 -3.609 1.00 0.76 N ATOM 0 H ASN A 115 -8.838 2.021 -1.939 1.00 0.42 H new ATOM 0 HA ASN A 115 -10.460 1.731 -3.458 1.00 0.46 H new ATOM 0 HB2 ASN A 115 -10.570 4.279 -2.562 1.00 0.52 H new ATOM 0 HB3 ASN A 115 -10.311 4.619 -4.261 1.00 0.52 H new ATOM 0 HD21 ASN A 115 -13.977 4.481 -3.708 1.00 0.76 H new ATOM 0 HD22 ASN A 115 -12.606 5.529 -3.331 1.00 0.76 H new ATOM 1312 N GLY A 116 -8.277 1.530 -5.274 1.00 0.43 N ATOM 1313 CA GLY A 116 -7.539 1.311 -6.517 1.00 0.46 C ATOM 1314 C GLY A 116 -6.665 2.469 -7.035 1.00 0.49 C ATOM 1315 O GLY A 116 -6.091 2.338 -8.119 1.00 0.63 O ATOM 0 H GLY A 116 -7.880 1.014 -4.489 1.00 0.43 H new ATOM 0 HA2 GLY A 116 -6.898 0.440 -6.379 1.00 0.46 H new ATOM 0 HA3 GLY A 116 -8.258 1.057 -7.296 1.00 0.46 H new ATOM 1319 N GLU A 117 -6.571 3.605 -6.336 1.00 0.47 N ATOM 1320 CA GLU A 117 -5.844 4.800 -6.782 1.00 0.53 C ATOM 1321 C GLU A 117 -4.506 4.934 -6.060 1.00 0.46 C ATOM 1322 O GLU A 117 -4.359 4.557 -4.896 1.00 0.39 O ATOM 1323 CB GLU A 117 -6.740 6.038 -6.643 1.00 0.63 C ATOM 1324 CG GLU A 117 -6.091 7.347 -7.064 1.00 0.82 C ATOM 1325 CD GLU A 117 -7.058 8.535 -7.006 1.00 1.12 C ATOM 1326 OE1 GLU A 117 -8.039 8.582 -7.787 1.00 1.59 O ATOM 1327 OE2 GLU A 117 -6.832 9.479 -6.214 1.00 1.86 O ATOM 0 H GLU A 117 -7.009 3.723 -5.422 1.00 0.47 H new ATOM 0 HA GLU A 117 -5.597 4.702 -7.839 1.00 0.53 H new ATOM 0 HB2 GLU A 117 -7.640 5.887 -7.240 1.00 0.63 H new ATOM 0 HB3 GLU A 117 -7.058 6.124 -5.604 1.00 0.63 H new ATOM 0 HG2 GLU A 117 -5.237 7.548 -6.418 1.00 0.82 H new ATOM 0 HG3 GLU A 117 -5.706 7.247 -8.079 1.00 0.82 H new ATOM 1334 N PHE A 118 -3.519 5.467 -6.775 1.00 0.53 N ATOM 1335 CA PHE A 118 -2.156 5.619 -6.296 1.00 0.50 C ATOM 1336 C PHE A 118 -1.941 6.904 -5.505 1.00 0.53 C ATOM 1337 O PHE A 118 -2.422 8.002 -5.805 1.00 0.67 O ATOM 1338 CB PHE A 118 -1.187 5.506 -7.468 1.00 0.55 C ATOM 1339 CG PHE A 118 0.274 5.759 -7.142 1.00 0.75 C ATOM 1340 CD1 PHE A 118 0.934 5.103 -6.079 1.00 1.66 C ATOM 1341 CD2 PHE A 118 0.985 6.659 -7.951 1.00 2.16 C ATOM 1342 CE1 PHE A 118 2.311 5.305 -5.879 1.00 1.76 C ATOM 1343 CE2 PHE A 118 2.353 6.884 -7.728 1.00 2.41 C ATOM 1344 CZ PHE A 118 3.019 6.201 -6.697 1.00 1.43 C ATOM 0 H PHE A 118 -3.652 5.812 -7.726 1.00 0.53 H new ATOM 0 HA PHE A 118 -1.959 4.811 -5.591 1.00 0.50 H new ATOM 0 HB2 PHE A 118 -1.277 4.507 -7.895 1.00 0.55 H new ATOM 0 HB3 PHE A 118 -1.495 6.211 -8.240 1.00 0.55 H new ATOM 0 HD1 PHE A 118 0.382 4.448 -5.421 1.00 1.66 H new ATOM 0 HD2 PHE A 118 0.478 7.181 -8.749 1.00 2.16 H new ATOM 0 HE1 PHE A 118 2.826 4.770 -5.095 1.00 1.76 H new ATOM 0 HE2 PHE A 118 2.893 7.583 -8.350 1.00 2.41 H new ATOM 0 HZ PHE A 118 4.074 6.365 -6.533 1.00 1.43 H new ATOM 1354 N VAL A 119 -1.213 6.677 -4.426 1.00 0.43 N ATOM 1355 CA VAL A 119 -1.521 7.192 -3.099 1.00 0.37 C ATOM 1356 C VAL A 119 -0.227 7.259 -2.308 1.00 0.50 C ATOM 1357 O VAL A 119 0.104 8.327 -1.799 1.00 0.70 O ATOM 1358 CB VAL A 119 -2.600 6.254 -2.531 1.00 0.54 C ATOM 1359 CG1 VAL A 119 -2.547 5.915 -1.061 1.00 0.75 C ATOM 1360 CG2 VAL A 119 -3.955 6.903 -2.818 1.00 1.55 C ATOM 0 H VAL A 119 -0.364 6.112 -4.447 1.00 0.43 H new ATOM 0 HA VAL A 119 -1.921 8.206 -3.076 1.00 0.37 H new ATOM 0 HB VAL A 119 -2.424 5.298 -3.024 1.00 0.54 H new ATOM 0 HG11 VAL A 119 -3.371 5.246 -0.812 1.00 0.75 H new ATOM 0 HG12 VAL A 119 -1.600 5.424 -0.835 1.00 0.75 H new ATOM 0 HG13 VAL A 119 -2.631 6.829 -0.473 1.00 0.75 H new ATOM 0 HG21 VAL A 119 -4.752 6.268 -2.430 1.00 1.55 H new ATOM 0 HG22 VAL A 119 -4.001 7.879 -2.335 1.00 1.55 H new ATOM 0 HG23 VAL A 119 -4.079 7.025 -3.894 1.00 1.55 H new ATOM 1370 N GLY A 120 0.601 6.215 -2.416 1.00 0.48 N ATOM 1371 CA GLY A 120 2.031 6.442 -2.579 1.00 0.55 C ATOM 1372 C GLY A 120 2.934 5.246 -2.292 1.00 0.39 C ATOM 1373 O GLY A 120 2.478 4.201 -1.822 1.00 0.38 O ATOM 0 H GLY A 120 0.314 5.236 -2.394 1.00 0.48 H new ATOM 0 HA2 GLY A 120 2.212 6.772 -3.602 1.00 0.55 H new ATOM 0 HA3 GLY A 120 2.326 7.261 -1.923 1.00 0.55 H new ATOM 1377 N GLY A 121 4.224 5.413 -2.597 1.00 0.42 N ATOM 1378 CA GLY A 121 5.298 4.544 -2.114 1.00 0.35 C ATOM 1379 C GLY A 121 5.756 4.905 -0.692 1.00 0.34 C ATOM 1380 O GLY A 121 5.347 5.932 -0.142 1.00 0.35 O ATOM 0 H GLY A 121 4.556 6.169 -3.196 1.00 0.42 H new ATOM 0 HA2 GLY A 121 4.958 3.509 -2.130 1.00 0.35 H new ATOM 0 HA3 GLY A 121 6.148 4.611 -2.793 1.00 0.35 H new ATOM 1384 N CYS A 122 6.602 4.074 -0.072 1.00 0.35 N ATOM 1385 CA CYS A 122 6.915 4.207 1.356 1.00 0.36 C ATOM 1386 C CYS A 122 7.636 5.512 1.758 1.00 0.43 C ATOM 1387 O CYS A 122 7.451 6.001 2.873 1.00 0.53 O ATOM 1388 CB CYS A 122 7.652 2.941 1.827 1.00 0.46 C ATOM 1389 SG CYS A 122 7.571 2.938 3.639 1.00 0.72 S ATOM 0 H CYS A 122 7.082 3.303 -0.536 1.00 0.35 H new ATOM 0 HA CYS A 122 5.965 4.295 1.883 1.00 0.36 H new ATOM 0 HB2 CYS A 122 7.185 2.046 1.417 1.00 0.46 H new ATOM 0 HB3 CYS A 122 8.687 2.946 1.485 1.00 0.46 H new ATOM 0 HG CYS A 122 7.797 1.737 4.081 1.00 0.72 H new ATOM 1395 N ASP A 123 8.389 6.138 0.851 1.00 0.45 N ATOM 1396 CA ASP A 123 8.949 7.480 1.098 1.00 0.52 C ATOM 1397 C ASP A 123 7.873 8.580 1.142 1.00 0.55 C ATOM 1398 O ASP A 123 7.945 9.482 1.980 1.00 0.75 O ATOM 1399 CB ASP A 123 10.003 7.821 0.038 1.00 0.63 C ATOM 1400 CG ASP A 123 11.258 6.976 0.209 1.00 2.04 C ATOM 1401 OD1 ASP A 123 11.896 7.071 1.287 1.00 2.78 O ATOM 1402 OD2 ASP A 123 11.616 6.227 -0.727 1.00 3.65 O ATOM 0 H ASP A 123 8.628 5.744 -0.059 1.00 0.45 H new ATOM 0 HA ASP A 123 9.413 7.448 2.084 1.00 0.52 H new ATOM 0 HB2 ASP A 123 9.587 7.659 -0.956 1.00 0.63 H new ATOM 0 HB3 ASP A 123 10.262 8.878 0.107 1.00 0.63 H new ATOM 1407 N ILE A 124 6.854 8.480 0.282 1.00 0.44 N ATOM 1408 CA ILE A 124 5.738 9.437 0.178 1.00 0.44 C ATOM 1409 C ILE A 124 4.806 9.309 1.379 1.00 0.40 C ATOM 1410 O ILE A 124 4.436 10.307 1.999 1.00 0.42 O ATOM 1411 CB ILE A 124 4.972 9.224 -1.141 1.00 0.46 C ATOM 1412 CG1 ILE A 124 5.897 9.375 -2.362 1.00 0.51 C ATOM 1413 CG2 ILE A 124 3.777 10.186 -1.235 1.00 0.49 C ATOM 1414 CD1 ILE A 124 6.698 10.680 -2.466 1.00 1.16 C ATOM 0 H ILE A 124 6.777 7.710 -0.382 1.00 0.44 H new ATOM 0 HA ILE A 124 6.145 10.448 0.176 1.00 0.44 H new ATOM 0 HB ILE A 124 4.592 8.202 -1.143 1.00 0.46 H new ATOM 0 HG12 ILE A 124 6.601 8.543 -2.359 1.00 0.51 H new ATOM 0 HG13 ILE A 124 5.290 9.276 -3.262 1.00 0.51 H new ATOM 0 HG21 ILE A 124 3.249 10.020 -2.174 1.00 0.49 H new ATOM 0 HG22 ILE A 124 3.099 10.007 -0.401 1.00 0.49 H new ATOM 0 HG23 ILE A 124 4.134 11.215 -1.197 1.00 0.49 H new ATOM 0 HD11 ILE A 124 7.309 10.661 -3.369 1.00 1.16 H new ATOM 0 HD12 ILE A 124 6.012 11.526 -2.510 1.00 1.16 H new ATOM 0 HD13 ILE A 124 7.343 10.781 -1.593 1.00 1.16 H new ATOM 1426 N LEU A 125 4.475 8.071 1.754 1.00 0.36 N ATOM 1427 CA LEU A 125 3.617 7.781 2.905 1.00 0.33 C ATOM 1428 C LEU A 125 4.150 8.428 4.199 1.00 0.36 C ATOM 1429 O LEU A 125 3.371 8.921 5.015 1.00 0.37 O ATOM 1430 CB LEU A 125 3.512 6.248 3.059 1.00 0.32 C ATOM 1431 CG LEU A 125 2.238 5.811 3.805 1.00 0.38 C ATOM 1432 CD1 LEU A 125 0.998 5.931 2.916 1.00 0.48 C ATOM 1433 CD2 LEU A 125 2.343 4.352 4.240 1.00 0.42 C ATOM 0 H LEU A 125 4.797 7.236 1.264 1.00 0.36 H new ATOM 0 HA LEU A 125 2.630 8.210 2.730 1.00 0.33 H new ATOM 0 HB2 LEU A 125 3.526 5.786 2.072 1.00 0.32 H new ATOM 0 HB3 LEU A 125 4.386 5.880 3.596 1.00 0.32 H new ATOM 0 HG LEU A 125 2.143 6.469 4.669 1.00 0.38 H new ATOM 0 HD11 LEU A 125 0.117 5.614 3.475 1.00 0.48 H new ATOM 0 HD12 LEU A 125 0.875 6.967 2.601 1.00 0.48 H new ATOM 0 HD13 LEU A 125 1.117 5.297 2.037 1.00 0.48 H new ATOM 0 HD21 LEU A 125 1.433 4.063 4.765 1.00 0.42 H new ATOM 0 HD22 LEU A 125 2.472 3.719 3.362 1.00 0.42 H new ATOM 0 HD23 LEU A 125 3.199 4.231 4.904 1.00 0.42 H new ATOM 1445 N LEU A 126 5.479 8.493 4.339 1.00 0.41 N ATOM 1446 CA LEU A 126 6.188 9.067 5.491 1.00 0.49 C ATOM 1447 C LEU A 126 6.050 10.601 5.558 1.00 0.54 C ATOM 1448 O LEU A 126 6.079 11.185 6.639 1.00 0.70 O ATOM 1449 CB LEU A 126 7.669 8.629 5.412 1.00 0.57 C ATOM 1450 CG LEU A 126 8.372 8.267 6.734 1.00 0.61 C ATOM 1451 CD1 LEU A 126 8.338 9.373 7.786 1.00 0.62 C ATOM 1452 CD2 LEU A 126 7.787 7.009 7.372 1.00 0.70 C ATOM 0 H LEU A 126 6.115 8.134 3.627 1.00 0.41 H new ATOM 0 HA LEU A 126 5.739 8.693 6.412 1.00 0.49 H new ATOM 0 HB2 LEU A 126 7.730 7.765 4.750 1.00 0.57 H new ATOM 0 HB3 LEU A 126 8.233 9.433 4.939 1.00 0.57 H new ATOM 0 HG LEU A 126 9.408 8.104 6.435 1.00 0.61 H new ATOM 0 HD11 LEU A 126 8.855 9.036 8.685 1.00 0.62 H new ATOM 0 HD12 LEU A 126 8.832 10.262 7.395 1.00 0.62 H new ATOM 0 HD13 LEU A 126 7.303 9.611 8.030 1.00 0.62 H new ATOM 0 HD21 LEU A 126 8.314 6.793 8.301 1.00 0.70 H new ATOM 0 HD22 LEU A 126 6.729 7.166 7.583 1.00 0.70 H new ATOM 0 HD23 LEU A 126 7.899 6.168 6.688 1.00 0.70 H new ATOM 1464 N GLN A 127 5.835 11.266 4.420 1.00 0.50 N ATOM 1465 CA GLN A 127 5.492 12.683 4.369 1.00 0.55 C ATOM 1466 C GLN A 127 4.018 12.909 4.733 1.00 0.52 C ATOM 1467 O GLN A 127 3.686 13.702 5.622 1.00 0.55 O ATOM 1468 CB GLN A 127 5.750 13.208 2.949 1.00 0.58 C ATOM 1469 CG GLN A 127 7.086 12.800 2.310 1.00 0.64 C ATOM 1470 CD GLN A 127 8.300 12.892 3.230 1.00 0.71 C ATOM 1471 OE1 GLN A 127 8.644 13.935 3.781 1.00 0.84 O ATOM 1472 NE2 GLN A 127 8.968 11.786 3.463 1.00 0.73 N ATOM 0 H GLN A 127 5.896 10.828 3.501 1.00 0.50 H new ATOM 0 HA GLN A 127 6.109 13.217 5.092 1.00 0.55 H new ATOM 0 HB2 GLN A 127 4.942 12.864 2.304 1.00 0.58 H new ATOM 0 HB3 GLN A 127 5.698 14.297 2.971 1.00 0.58 H new ATOM 0 HG2 GLN A 127 7.000 11.775 1.949 1.00 0.64 H new ATOM 0 HG3 GLN A 127 7.262 13.431 1.439 1.00 0.64 H new ATOM 0 HE21 GLN A 127 8.689 10.916 3.009 1.00 0.73 H new ATOM 0 HE22 GLN A 127 9.766 11.797 4.098 1.00 0.73 H new ATOM 1481 N MET A 128 3.128 12.183 4.049 1.00 0.49 N ATOM 1482 CA MET A 128 1.687 12.396 4.077 1.00 0.50 C ATOM 1483 C MET A 128 1.029 11.999 5.398 1.00 0.46 C ATOM 1484 O MET A 128 0.046 12.630 5.792 1.00 0.51 O ATOM 1485 CB MET A 128 1.080 11.557 2.960 1.00 0.50 C ATOM 1486 CG MET A 128 1.503 12.015 1.564 1.00 0.54 C ATOM 1487 SD MET A 128 0.589 11.192 0.242 1.00 0.60 S ATOM 1488 CE MET A 128 -1.018 11.955 0.540 1.00 0.69 C ATOM 0 H MET A 128 3.404 11.409 3.444 1.00 0.49 H new ATOM 0 HA MET A 128 1.508 13.464 3.952 1.00 0.50 H new ATOM 0 HB2 MET A 128 1.371 10.516 3.097 1.00 0.50 H new ATOM 0 HB3 MET A 128 -0.007 11.596 3.034 1.00 0.50 H new ATOM 0 HG2 MET A 128 1.358 13.092 1.482 1.00 0.54 H new ATOM 0 HG3 MET A 128 2.568 11.826 1.433 1.00 0.54 H new ATOM 0 HE1 MET A 128 -1.752 11.181 0.766 1.00 0.69 H new ATOM 0 HE2 MET A 128 -0.944 12.642 1.383 1.00 0.69 H new ATOM 0 HE3 MET A 128 -1.331 12.503 -0.349 1.00 0.69 H new ATOM 1498 N HIS A 129 1.578 10.994 6.091 1.00 0.40 N ATOM 1499 CA HIS A 129 1.147 10.595 7.453 1.00 0.39 C ATOM 1500 C HIS A 129 1.108 11.795 8.388 1.00 0.46 C ATOM 1501 O HIS A 129 0.151 12.043 9.122 1.00 0.46 O ATOM 1502 CB HIS A 129 2.159 9.622 8.064 1.00 0.41 C ATOM 1503 CG HIS A 129 1.786 9.065 9.415 1.00 0.43 C ATOM 1504 ND1 HIS A 129 0.576 8.575 9.856 1.00 0.42 N ATOM 1505 CD2 HIS A 129 2.648 8.975 10.464 1.00 0.50 C ATOM 1506 CE1 HIS A 129 0.733 8.161 11.124 1.00 0.49 C ATOM 1507 NE2 HIS A 129 1.985 8.400 11.555 1.00 0.54 N ATOM 0 H HIS A 129 2.341 10.424 5.726 1.00 0.40 H new ATOM 0 HA HIS A 129 0.159 10.145 7.351 1.00 0.39 H new ATOM 0 HB2 HIS A 129 2.301 8.791 7.374 1.00 0.41 H new ATOM 0 HB3 HIS A 129 3.119 10.131 8.152 1.00 0.41 H new ATOM 0 HD1 HIS A 129 -0.287 8.534 9.314 1.00 0.42 H new ATOM 0 HD2 HIS A 129 3.679 9.296 10.456 1.00 0.50 H new ATOM 0 HE1 HIS A 129 -0.042 7.698 11.718 1.00 0.49 H new ATOM 1515 N GLN A 130 2.233 12.495 8.332 1.00 0.54 N ATOM 1516 CA GLN A 130 2.713 13.396 9.352 1.00 0.64 C ATOM 1517 C GLN A 130 2.230 14.830 9.080 1.00 0.68 C ATOM 1518 O GLN A 130 2.102 15.643 9.992 1.00 0.80 O ATOM 1519 CB GLN A 130 4.231 13.214 9.406 1.00 0.70 C ATOM 1520 CG GLN A 130 4.638 11.759 9.596 1.00 0.69 C ATOM 1521 CD GLN A 130 5.937 11.605 10.372 1.00 0.81 C ATOM 1522 OE1 GLN A 130 5.954 11.410 11.582 1.00 1.00 O ATOM 1523 NE2 GLN A 130 7.063 11.715 9.705 1.00 0.82 N ATOM 0 H GLN A 130 2.862 12.442 7.531 1.00 0.54 H new ATOM 0 HA GLN A 130 2.310 13.175 10.341 1.00 0.64 H new ATOM 0 HB2 GLN A 130 4.672 13.594 8.484 1.00 0.70 H new ATOM 0 HB3 GLN A 130 4.636 13.811 10.223 1.00 0.70 H new ATOM 0 HG2 GLN A 130 3.842 11.230 10.120 1.00 0.69 H new ATOM 0 HG3 GLN A 130 4.746 11.286 8.620 1.00 0.69 H new ATOM 0 HE21 GLN A 130 7.046 11.877 8.698 1.00 0.82 H new ATOM 0 HE22 GLN A 130 7.955 11.638 10.194 1.00 0.82 H new ATOM 1532 N ASN A 131 1.888 15.116 7.815 1.00 0.63 N ATOM 1533 CA ASN A 131 1.083 16.255 7.405 1.00 0.69 C ATOM 1534 C ASN A 131 -0.438 16.018 7.589 1.00 0.71 C ATOM 1535 O ASN A 131 -1.156 16.955 7.946 1.00 0.89 O ATOM 1536 CB ASN A 131 1.500 16.581 5.977 1.00 0.72 C ATOM 1537 CG ASN A 131 0.676 17.709 5.412 1.00 1.25 C ATOM 1538 OD1 ASN A 131 0.484 18.750 6.031 1.00 2.60 O ATOM 1539 ND2 ASN A 131 0.123 17.498 4.250 1.00 0.92 N ATOM 0 H ASN A 131 2.179 14.535 7.029 1.00 0.63 H new ATOM 0 HA ASN A 131 1.266 17.117 8.046 1.00 0.69 H new ATOM 0 HB2 ASN A 131 2.555 16.853 5.957 1.00 0.72 H new ATOM 0 HB3 ASN A 131 1.387 15.696 5.351 1.00 0.72 H new ATOM 0 HD21 ASN A 131 -0.484 18.207 3.838 1.00 0.92 H new ATOM 0 HD22 ASN A 131 0.297 16.624 3.753 1.00 0.92 H new ATOM 1546 N GLY A 132 -0.930 14.779 7.424 1.00 0.61 N ATOM 1547 CA GLY A 132 -2.337 14.418 7.656 1.00 0.60 C ATOM 1548 C GLY A 132 -3.170 14.323 6.373 1.00 0.58 C ATOM 1549 O GLY A 132 -4.397 14.348 6.413 1.00 0.66 O ATOM 0 H GLY A 132 -0.355 13.992 7.123 1.00 0.61 H new ATOM 0 HA2 GLY A 132 -2.376 13.460 8.175 1.00 0.60 H new ATOM 0 HA3 GLY A 132 -2.788 15.158 8.317 1.00 0.60 H new ATOM 1553 N ASP A 133 -2.535 14.214 5.207 1.00 0.55 N ATOM 1554 CA ASP A 133 -3.226 14.075 3.915 1.00 0.58 C ATOM 1555 C ASP A 133 -3.716 12.647 3.628 1.00 0.51 C ATOM 1556 O ASP A 133 -4.541 12.459 2.733 1.00 0.60 O ATOM 1557 CB ASP A 133 -2.345 14.646 2.788 1.00 0.72 C ATOM 1558 CG ASP A 133 -2.730 16.077 2.398 1.00 1.00 C ATOM 1559 OD1 ASP A 133 -3.346 16.797 3.224 1.00 2.45 O ATOM 1560 OD2 ASP A 133 -2.423 16.482 1.251 1.00 1.49 O ATOM 0 H ASP A 133 -1.518 14.219 5.126 1.00 0.55 H new ATOM 0 HA ASP A 133 -4.142 14.663 3.966 1.00 0.58 H new ATOM 0 HB2 ASP A 133 -1.302 14.629 3.105 1.00 0.72 H new ATOM 0 HB3 ASP A 133 -2.422 14.003 1.912 1.00 0.72 H new ATOM 1565 N LEU A 134 -3.285 11.651 4.418 1.00 0.41 N ATOM 1566 CA LEU A 134 -3.803 10.275 4.320 1.00 0.38 C ATOM 1567 C LEU A 134 -5.215 10.162 4.908 1.00 0.36 C ATOM 1568 O LEU A 134 -5.983 9.262 4.596 1.00 0.35 O ATOM 1569 CB LEU A 134 -2.879 9.306 5.087 1.00 0.35 C ATOM 1570 CG LEU A 134 -1.415 9.275 4.630 1.00 0.38 C ATOM 1571 CD1 LEU A 134 -0.647 8.189 5.378 1.00 0.35 C ATOM 1572 CD2 LEU A 134 -1.282 9.015 3.135 1.00 0.46 C ATOM 0 H LEU A 134 -2.573 11.774 5.138 1.00 0.41 H new ATOM 0 HA LEU A 134 -3.836 10.016 3.262 1.00 0.38 H new ATOM 0 HB2 LEU A 134 -2.904 9.571 6.144 1.00 0.35 H new ATOM 0 HB3 LEU A 134 -3.288 8.299 5.001 1.00 0.35 H new ATOM 0 HG LEU A 134 -1.000 10.258 4.851 1.00 0.38 H new ATOM 0 HD11 LEU A 134 0.390 8.180 5.042 1.00 0.35 H new ATOM 0 HD12 LEU A 134 -0.680 8.392 6.448 1.00 0.35 H new ATOM 0 HD13 LEU A 134 -1.102 7.219 5.178 1.00 0.35 H new ATOM 0 HD21 LEU A 134 -0.227 9.002 2.860 1.00 0.46 H new ATOM 0 HD22 LEU A 134 -1.732 8.052 2.892 1.00 0.46 H new ATOM 0 HD23 LEU A 134 -1.792 9.804 2.582 1.00 0.46 H new ATOM 1584 N VAL A 135 -5.529 11.090 5.802 1.00 0.38 N ATOM 1585 CA VAL A 135 -6.652 11.080 6.740 1.00 0.35 C ATOM 1586 C VAL A 135 -7.921 11.517 6.015 1.00 0.40 C ATOM 1587 O VAL A 135 -8.972 10.897 6.157 1.00 0.42 O ATOM 1588 CB VAL A 135 -6.300 12.034 7.891 1.00 0.35 C ATOM 1589 CG1 VAL A 135 -7.154 11.782 9.117 1.00 0.37 C ATOM 1590 CG2 VAL A 135 -4.883 11.732 8.378 1.00 0.39 C ATOM 0 H VAL A 135 -4.965 11.934 5.901 1.00 0.38 H new ATOM 0 HA VAL A 135 -6.832 10.082 7.140 1.00 0.35 H new ATOM 0 HB VAL A 135 -6.438 13.043 7.503 1.00 0.35 H new ATOM 0 HG11 VAL A 135 -6.872 12.478 9.906 1.00 0.37 H new ATOM 0 HG12 VAL A 135 -8.205 11.926 8.865 1.00 0.37 H new ATOM 0 HG13 VAL A 135 -7.001 10.760 9.463 1.00 0.37 H new ATOM 0 HG21 VAL A 135 -4.628 12.406 9.195 1.00 0.39 H new ATOM 0 HG22 VAL A 135 -4.831 10.701 8.728 1.00 0.39 H new ATOM 0 HG23 VAL A 135 -4.179 11.873 7.558 1.00 0.39 H new ATOM 1600 N GLU A 136 -7.777 12.527 5.153 1.00 0.47 N ATOM 1601 CA GLU A 136 -8.772 12.987 4.178 1.00 0.53 C ATOM 1602 C GLU A 136 -9.018 11.933 3.094 1.00 0.51 C ATOM 1603 O GLU A 136 -10.164 11.668 2.732 1.00 0.57 O ATOM 1604 CB GLU A 136 -8.266 14.281 3.516 1.00 0.67 C ATOM 1605 CG GLU A 136 -7.927 15.386 4.520 1.00 1.19 C ATOM 1606 CD GLU A 136 -9.138 15.787 5.369 1.00 1.63 C ATOM 1607 OE1 GLU A 136 -10.088 16.394 4.818 1.00 2.52 O ATOM 1608 OE2 GLU A 136 -9.145 15.502 6.590 1.00 2.36 O ATOM 0 H GLU A 136 -6.918 13.076 5.114 1.00 0.47 H new ATOM 0 HA GLU A 136 -9.711 13.165 4.703 1.00 0.53 H new ATOM 0 HB2 GLU A 136 -7.380 14.054 2.923 1.00 0.67 H new ATOM 0 HB3 GLU A 136 -9.026 14.648 2.826 1.00 0.67 H new ATOM 0 HG2 GLU A 136 -7.123 15.047 5.174 1.00 1.19 H new ATOM 0 HG3 GLU A 136 -7.555 16.260 3.985 1.00 1.19 H new ATOM 1615 N GLU A 137 -7.945 11.289 2.624 1.00 0.53 N ATOM 1616 CA GLU A 137 -8.004 10.167 1.675 1.00 0.57 C ATOM 1617 C GLU A 137 -8.799 8.980 2.257 1.00 0.54 C ATOM 1618 O GLU A 137 -9.683 8.446 1.590 1.00 0.65 O ATOM 1619 CB GLU A 137 -6.572 9.749 1.275 1.00 0.63 C ATOM 1620 CG GLU A 137 -6.445 9.232 -0.170 1.00 0.82 C ATOM 1621 CD GLU A 137 -6.444 10.347 -1.231 1.00 1.01 C ATOM 1622 OE1 GLU A 137 -5.806 11.405 -1.027 1.00 2.06 O ATOM 1623 OE2 GLU A 137 -7.079 10.178 -2.302 1.00 1.44 O ATOM 0 H GLU A 137 -6.993 11.535 2.896 1.00 0.53 H new ATOM 0 HA GLU A 137 -8.534 10.492 0.780 1.00 0.57 H new ATOM 0 HB2 GLU A 137 -5.907 10.603 1.403 1.00 0.63 H new ATOM 0 HB3 GLU A 137 -6.228 8.972 1.958 1.00 0.63 H new ATOM 0 HG2 GLU A 137 -5.524 8.657 -0.260 1.00 0.82 H new ATOM 0 HG3 GLU A 137 -7.269 8.549 -0.375 1.00 0.82 H new ATOM 1630 N LEU A 138 -8.574 8.631 3.532 1.00 0.46 N ATOM 1631 CA LEU A 138 -9.339 7.610 4.259 1.00 0.45 C ATOM 1632 C LEU A 138 -10.823 7.997 4.412 1.00 0.45 C ATOM 1633 O LEU A 138 -11.702 7.146 4.243 1.00 0.48 O ATOM 1634 CB LEU A 138 -8.659 7.383 5.627 1.00 0.42 C ATOM 1635 CG LEU A 138 -7.401 6.494 5.586 1.00 0.42 C ATOM 1636 CD1 LEU A 138 -6.639 6.609 6.909 1.00 0.44 C ATOM 1637 CD2 LEU A 138 -7.740 5.017 5.377 1.00 0.42 C ATOM 0 H LEU A 138 -7.841 9.059 4.097 1.00 0.46 H new ATOM 0 HA LEU A 138 -9.337 6.681 3.689 1.00 0.45 H new ATOM 0 HB2 LEU A 138 -8.388 8.352 6.047 1.00 0.42 H new ATOM 0 HB3 LEU A 138 -9.383 6.932 6.306 1.00 0.42 H new ATOM 0 HG LEU A 138 -6.800 6.843 4.747 1.00 0.42 H new ATOM 0 HD11 LEU A 138 -5.751 5.978 6.873 1.00 0.44 H new ATOM 0 HD12 LEU A 138 -6.342 7.645 7.069 1.00 0.44 H new ATOM 0 HD13 LEU A 138 -7.281 6.285 7.728 1.00 0.44 H new ATOM 0 HD21 LEU A 138 -6.820 4.432 5.355 1.00 0.42 H new ATOM 0 HD22 LEU A 138 -8.372 4.670 6.194 1.00 0.42 H new ATOM 0 HD23 LEU A 138 -8.270 4.895 4.432 1.00 0.42 H new ATOM 1649 N LYS A 139 -11.127 9.284 4.646 1.00 0.47 N ATOM 1650 CA LYS A 139 -12.511 9.787 4.753 1.00 0.54 C ATOM 1651 C LYS A 139 -13.301 9.631 3.444 1.00 0.60 C ATOM 1652 O LYS A 139 -14.505 9.393 3.524 1.00 0.65 O ATOM 1653 CB LYS A 139 -12.530 11.242 5.270 1.00 0.68 C ATOM 1654 CG LYS A 139 -12.119 11.358 6.747 1.00 0.69 C ATOM 1655 CD LYS A 139 -11.752 12.802 7.129 1.00 0.59 C ATOM 1656 CE LYS A 139 -10.811 12.826 8.336 1.00 0.59 C ATOM 1657 NZ LYS A 139 -10.434 14.214 8.694 1.00 0.74 N ATOM 0 H LYS A 139 -10.420 10.009 4.767 1.00 0.47 H new ATOM 0 HA LYS A 139 -13.023 9.164 5.487 1.00 0.54 H new ATOM 0 HB2 LYS A 139 -11.857 11.847 4.662 1.00 0.68 H new ATOM 0 HB3 LYS A 139 -13.531 11.654 5.143 1.00 0.68 H new ATOM 0 HG2 LYS A 139 -12.936 11.012 7.379 1.00 0.69 H new ATOM 0 HG3 LYS A 139 -11.268 10.704 6.939 1.00 0.69 H new ATOM 0 HD2 LYS A 139 -11.276 13.297 6.282 1.00 0.59 H new ATOM 0 HD3 LYS A 139 -12.658 13.363 7.358 1.00 0.59 H new ATOM 0 HE2 LYS A 139 -11.295 12.347 9.187 1.00 0.59 H new ATOM 0 HE3 LYS A 139 -9.914 12.249 8.113 1.00 0.59 H new ATOM 0 HZ1 LYS A 139 -9.769 14.198 9.494 1.00 0.74 H new ATOM 0 HZ2 LYS A 139 -9.982 14.673 7.877 1.00 0.74 H new ATOM 0 HZ3 LYS A 139 -11.286 14.747 8.963 1.00 0.74 H new ATOM 1671 N LYS A 140 -12.669 9.633 2.255 1.00 0.63 N ATOM 1672 CA LYS A 140 -13.346 9.349 0.962 1.00 0.71 C ATOM 1673 C LYS A 140 -14.028 7.981 0.964 1.00 0.71 C ATOM 1674 O LYS A 140 -15.171 7.852 0.517 1.00 0.87 O ATOM 1675 CB LYS A 140 -12.355 9.390 -0.220 1.00 0.88 C ATOM 1676 CG LYS A 140 -11.644 10.736 -0.345 1.00 1.03 C ATOM 1677 CD LYS A 140 -10.611 10.773 -1.474 1.00 1.26 C ATOM 1678 CE LYS A 140 -9.851 12.091 -1.316 1.00 1.59 C ATOM 1679 NZ LYS A 140 -8.858 12.310 -2.388 1.00 1.79 N ATOM 0 H LYS A 140 -11.673 9.831 2.157 1.00 0.63 H new ATOM 0 HA LYS A 140 -14.097 10.130 0.841 1.00 0.71 H new ATOM 0 HB2 LYS A 140 -11.613 8.602 -0.094 1.00 0.88 H new ATOM 0 HB3 LYS A 140 -12.891 9.179 -1.146 1.00 0.88 H new ATOM 0 HG2 LYS A 140 -12.386 11.516 -0.515 1.00 1.03 H new ATOM 0 HG3 LYS A 140 -11.149 10.967 0.598 1.00 1.03 H new ATOM 0 HD2 LYS A 140 -9.932 9.922 -1.408 1.00 1.26 H new ATOM 0 HD3 LYS A 140 -11.097 10.719 -2.448 1.00 1.26 H new ATOM 0 HE2 LYS A 140 -10.562 12.917 -1.311 1.00 1.59 H new ATOM 0 HE3 LYS A 140 -9.345 12.100 -0.351 1.00 1.59 H new ATOM 0 HZ1 LYS A 140 -8.226 13.092 -2.121 1.00 1.79 H new ATOM 0 HZ2 LYS A 140 -8.299 11.444 -2.525 1.00 1.79 H new ATOM 0 HZ3 LYS A 140 -9.349 12.549 -3.273 1.00 1.79 H new ATOM 1693 N LEU A 141 -13.350 6.975 1.523 1.00 0.67 N ATOM 1694 CA LEU A 141 -13.842 5.609 1.629 1.00 0.71 C ATOM 1695 C LEU A 141 -14.899 5.431 2.732 1.00 0.75 C ATOM 1696 O LEU A 141 -15.603 4.420 2.735 1.00 1.01 O ATOM 1697 CB LEU A 141 -12.638 4.690 1.891 1.00 0.68 C ATOM 1698 CG LEU A 141 -11.773 4.258 0.696 1.00 0.61 C ATOM 1699 CD1 LEU A 141 -12.588 3.497 -0.348 1.00 1.33 C ATOM 1700 CD2 LEU A 141 -11.029 5.430 0.058 1.00 1.36 C ATOM 0 H LEU A 141 -12.420 7.097 1.923 1.00 0.67 H new ATOM 0 HA LEU A 141 -14.340 5.351 0.694 1.00 0.71 H new ATOM 0 HB2 LEU A 141 -11.987 5.192 2.607 1.00 0.68 H new ATOM 0 HB3 LEU A 141 -13.009 3.787 2.376 1.00 0.68 H new ATOM 0 HG LEU A 141 -11.020 3.579 1.096 1.00 0.61 H new ATOM 0 HD11 LEU A 141 -11.940 3.209 -1.176 1.00 1.33 H new ATOM 0 HD12 LEU A 141 -13.016 2.603 0.105 1.00 1.33 H new ATOM 0 HD13 LEU A 141 -13.390 4.135 -0.719 1.00 1.33 H new ATOM 0 HD21 LEU A 141 -10.433 5.070 -0.781 1.00 1.36 H new ATOM 0 HD22 LEU A 141 -11.749 6.167 -0.298 1.00 1.36 H new ATOM 0 HD23 LEU A 141 -10.373 5.891 0.797 1.00 1.36 H new ATOM 1712 N GLY A 142 -15.022 6.385 3.660 1.00 0.60 N ATOM 1713 CA GLY A 142 -15.759 6.220 4.918 1.00 0.63 C ATOM 1714 C GLY A 142 -14.930 5.560 6.029 1.00 0.67 C ATOM 1715 O GLY A 142 -15.502 4.997 6.965 1.00 1.07 O ATOM 0 H GLY A 142 -14.605 7.310 3.557 1.00 0.60 H new ATOM 0 HA2 GLY A 142 -16.100 7.197 5.261 1.00 0.63 H new ATOM 0 HA3 GLY A 142 -16.649 5.618 4.733 1.00 0.63 H new ATOM 1719 N ILE A 143 -13.593 5.584 5.928 1.00 0.48 N ATOM 1720 CA ILE A 143 -12.679 5.080 6.959 1.00 0.49 C ATOM 1721 C ILE A 143 -12.249 6.209 7.902 1.00 0.51 C ATOM 1722 O ILE A 143 -12.026 7.355 7.493 1.00 0.60 O ATOM 1723 CB ILE A 143 -11.456 4.342 6.366 1.00 0.55 C ATOM 1724 CG1 ILE A 143 -11.880 3.266 5.343 1.00 0.63 C ATOM 1725 CG2 ILE A 143 -10.670 3.711 7.536 1.00 0.61 C ATOM 1726 CD1 ILE A 143 -10.720 2.653 4.541 1.00 0.70 C ATOM 0 H ILE A 143 -13.110 5.961 5.113 1.00 0.48 H new ATOM 0 HA ILE A 143 -13.230 4.339 7.538 1.00 0.49 H new ATOM 0 HB ILE A 143 -10.828 5.051 5.826 1.00 0.55 H new ATOM 0 HG12 ILE A 143 -12.402 2.467 5.871 1.00 0.63 H new ATOM 0 HG13 ILE A 143 -12.593 3.707 4.646 1.00 0.63 H new ATOM 0 HG21 ILE A 143 -9.800 3.183 7.147 1.00 0.61 H new ATOM 0 HG22 ILE A 143 -10.343 4.495 8.219 1.00 0.61 H new ATOM 0 HG23 ILE A 143 -11.312 3.010 8.069 1.00 0.61 H new ATOM 0 HD11 ILE A 143 -11.111 1.908 3.848 1.00 0.70 H new ATOM 0 HD12 ILE A 143 -10.210 3.437 3.981 1.00 0.70 H new ATOM 0 HD13 ILE A 143 -10.016 2.179 5.225 1.00 0.70 H new ATOM 1738 N HIS A 144 -12.104 5.855 9.174 1.00 0.59 N ATOM 1739 CA HIS A 144 -11.821 6.761 10.277 1.00 0.59 C ATOM 1740 C HIS A 144 -10.457 6.479 10.915 1.00 0.42 C ATOM 1741 O HIS A 144 -10.271 5.461 11.597 1.00 0.57 O ATOM 1742 CB HIS A 144 -12.969 6.622 11.274 1.00 0.90 C ATOM 1743 CG HIS A 144 -13.219 7.880 12.062 1.00 1.49 C ATOM 1744 ND1 HIS A 144 -13.700 9.063 11.553 1.00 2.08 N ATOM 1745 CD2 HIS A 144 -13.002 8.075 13.398 1.00 1.87 C ATOM 1746 CE1 HIS A 144 -13.774 9.954 12.552 1.00 2.55 C ATOM 1747 NE2 HIS A 144 -13.386 9.387 13.712 1.00 2.45 N ATOM 0 H HIS A 144 -12.185 4.884 9.476 1.00 0.59 H new ATOM 0 HA HIS A 144 -11.757 7.789 9.920 1.00 0.59 H new ATOM 0 HB2 HIS A 144 -13.878 6.349 10.738 1.00 0.90 H new ATOM 0 HB3 HIS A 144 -12.748 5.806 11.963 1.00 0.90 H new ATOM 0 HD2 HIS A 144 -12.605 7.347 14.090 1.00 1.87 H new ATOM 0 HE1 HIS A 144 -14.098 10.979 12.443 1.00 2.55 H new ATOM 0 HE2 HIS A 144 -13.374 9.824 14.633 1.00 2.45 H new ATOM 1755 N SER A 145 -9.508 7.392 10.700 1.00 0.37 N ATOM 1756 CA SER A 145 -8.204 7.401 11.354 1.00 0.39 C ATOM 1757 C SER A 145 -8.341 7.450 12.880 1.00 0.43 C ATOM 1758 O SER A 145 -8.819 8.425 13.435 1.00 0.57 O ATOM 1759 CB SER A 145 -7.427 8.615 10.829 1.00 0.40 C ATOM 1760 OG SER A 145 -6.364 8.961 11.700 1.00 0.39 O ATOM 0 H SER A 145 -9.632 8.166 10.047 1.00 0.37 H new ATOM 0 HA SER A 145 -7.667 6.481 11.123 1.00 0.39 H new ATOM 0 HB2 SER A 145 -7.031 8.395 9.838 1.00 0.40 H new ATOM 0 HB3 SER A 145 -8.103 9.463 10.721 1.00 0.40 H new ATOM 0 HG SER A 145 -5.885 9.737 11.340 1.00 0.39 H new ATOM 1766 N ALA A 146 -7.850 6.434 13.583 1.00 0.44 N ATOM 1767 CA ALA A 146 -7.869 6.319 15.048 1.00 0.50 C ATOM 1768 C ALA A 146 -7.050 7.399 15.798 1.00 0.48 C ATOM 1769 O ALA A 146 -7.078 7.466 17.028 1.00 0.63 O ATOM 1770 CB ALA A 146 -7.413 4.899 15.403 1.00 0.65 C ATOM 0 H ALA A 146 -7.408 5.632 13.134 1.00 0.44 H new ATOM 0 HA ALA A 146 -8.888 6.502 15.389 1.00 0.50 H new ATOM 0 HB1 ALA A 146 -7.415 4.776 16.486 1.00 0.65 H new ATOM 0 HB2 ALA A 146 -8.094 4.175 14.955 1.00 0.65 H new ATOM 0 HB3 ALA A 146 -6.406 4.734 15.021 1.00 0.65 H new ATOM 1776 N LEU A 147 -6.342 8.274 15.075 1.00 0.46 N ATOM 1777 CA LEU A 147 -5.663 9.462 15.570 1.00 0.54 C ATOM 1778 C LEU A 147 -6.637 10.636 15.818 1.00 0.70 C ATOM 1779 O LEU A 147 -6.299 11.607 16.499 1.00 0.93 O ATOM 1780 CB LEU A 147 -4.610 9.779 14.501 1.00 0.51 C ATOM 1781 CG LEU A 147 -3.610 8.652 14.164 1.00 0.47 C ATOM 1782 CD1 LEU A 147 -2.421 9.208 13.384 1.00 0.52 C ATOM 1783 CD2 LEU A 147 -3.080 7.945 15.409 1.00 0.47 C ATOM 0 H LEU A 147 -6.225 8.158 14.068 1.00 0.46 H new ATOM 0 HA LEU A 147 -5.206 9.295 16.546 1.00 0.54 H new ATOM 0 HB2 LEU A 147 -5.128 10.061 13.584 1.00 0.51 H new ATOM 0 HB3 LEU A 147 -4.044 10.651 14.828 1.00 0.51 H new ATOM 0 HG LEU A 147 -4.159 7.927 13.563 1.00 0.47 H new ATOM 0 HD11 LEU A 147 -1.726 8.400 13.155 1.00 0.52 H new ATOM 0 HD12 LEU A 147 -2.773 9.658 12.456 1.00 0.52 H new ATOM 0 HD13 LEU A 147 -1.914 9.964 13.984 1.00 0.52 H new ATOM 0 HD21 LEU A 147 -2.381 7.162 15.113 1.00 0.47 H new ATOM 0 HD22 LEU A 147 -2.569 8.666 16.047 1.00 0.47 H new ATOM 0 HD23 LEU A 147 -3.911 7.501 15.957 1.00 0.47 H new ATOM 1795 N LEU A 148 -7.869 10.517 15.313 1.00 0.66 N ATOM 1796 CA LEU A 148 -9.017 11.372 15.621 1.00 0.92 C ATOM 1797 C LEU A 148 -9.474 11.232 17.081 1.00 1.32 C ATOM 1798 O LEU A 148 -9.921 12.204 17.691 1.00 1.79 O ATOM 1799 CB LEU A 148 -10.153 10.985 14.676 1.00 0.72 C ATOM 1800 CG LEU A 148 -10.105 11.681 13.304 1.00 0.94 C ATOM 1801 CD1 LEU A 148 -10.682 13.097 13.377 1.00 2.88 C ATOM 1802 CD2 LEU A 148 -8.736 11.753 12.625 1.00 2.93 C ATOM 0 H LEU A 148 -8.103 9.784 14.644 1.00 0.66 H new ATOM 0 HA LEU A 148 -8.728 12.414 15.485 1.00 0.92 H new ATOM 0 HB2 LEU A 148 -10.130 9.906 14.523 1.00 0.72 H new ATOM 0 HB3 LEU A 148 -11.104 11.219 15.155 1.00 0.72 H new ATOM 0 HG LEU A 148 -10.717 11.028 12.682 1.00 0.94 H new ATOM 0 HD11 LEU A 148 -10.633 13.561 12.392 1.00 2.88 H new ATOM 0 HD12 LEU A 148 -11.720 13.050 13.705 1.00 2.88 H new ATOM 0 HD13 LEU A 148 -10.104 13.689 14.086 1.00 2.88 H new ATOM 0 HD21 LEU A 148 -8.831 12.265 11.667 1.00 2.93 H new ATOM 0 HD22 LEU A 148 -8.042 12.301 13.262 1.00 2.93 H new ATOM 0 HD23 LEU A 148 -8.358 10.744 12.461 1.00 2.93 H new ATOM 1814 N ASP A 149 -9.354 10.030 17.653 1.00 1.47 N ATOM 1815 CA ASP A 149 -9.897 9.667 18.973 1.00 2.18 C ATOM 1816 C ASP A 149 -8.903 9.835 20.136 1.00 2.37 C ATOM 1817 O ASP A 149 -9.140 9.395 21.263 1.00 2.77 O ATOM 1818 CB ASP A 149 -10.538 8.272 18.878 1.00 2.60 C ATOM 1819 CG ASP A 149 -11.472 7.932 20.043 1.00 3.49 C ATOM 1820 OD1 ASP A 149 -12.367 8.750 20.370 1.00 3.30 O ATOM 1821 OD2 ASP A 149 -11.325 6.826 20.622 1.00 4.70 O ATOM 0 H ASP A 149 -8.863 9.259 17.201 1.00 1.47 H new ATOM 0 HA ASP A 149 -10.675 10.384 19.236 1.00 2.18 H new ATOM 0 HB2 ASP A 149 -11.098 8.204 17.946 1.00 2.60 H new ATOM 0 HB3 ASP A 149 -9.747 7.523 18.830 1.00 2.60 H new ATOM 1826 N GLU A 150 -7.805 10.530 19.860 1.00 2.21 N ATOM 1827 CA GLU A 150 -6.724 10.894 20.779 1.00 2.56 C ATOM 1828 C GLU A 150 -7.026 12.161 21.587 1.00 3.10 C ATOM 1829 O GLU A 150 -6.608 12.215 22.767 1.00 4.00 O ATOM 1830 CB GLU A 150 -5.438 11.061 19.954 1.00 2.47 C ATOM 1831 CG GLU A 150 -4.803 9.742 19.469 1.00 3.08 C ATOM 1832 CD GLU A 150 -4.073 8.957 20.576 1.00 3.99 C ATOM 1833 OE1 GLU A 150 -3.349 9.572 21.405 1.00 4.52 O ATOM 1834 OE2 GLU A 150 -4.170 7.707 20.617 1.00 4.90 O ATOM 0 H GLU A 150 -7.631 10.882 18.918 1.00 2.21 H new ATOM 0 HA GLU A 150 -6.610 10.099 21.516 1.00 2.56 H new ATOM 0 HB2 GLU A 150 -5.658 11.682 19.086 1.00 2.47 H new ATOM 0 HB3 GLU A 150 -4.706 11.601 20.554 1.00 2.47 H new ATOM 0 HG2 GLU A 150 -5.582 9.110 19.043 1.00 3.08 H new ATOM 0 HG3 GLU A 150 -4.098 9.963 18.668 1.00 3.08 H new TER 1841 GLU A 150