USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1149 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 ASN : amide:sc= 1.6 K(o=4,f=-10!) USER MOD Set 1.2: A 81 LYS NZ :NH3+ 163:sc= 2.42 (180deg=0.795) USER MOD Set 2.1: A 41 SER OG : rot -52:sc= 2.31 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 157:sc= 3.32 (180deg=2.33) USER MOD Set 3.1: A 20 HIS : no HE2:sc= 1.05 K(o=2.3,f=-12!) USER MOD Set 3.2: A 23 LYS NZ :NH3+ -139:sc= 1.24 (180deg=-3.44!) USER MOD Set 4.1: A 11 GLN : amide:sc= 1.92 K(o=3.1,f=0.027) USER MOD Set 4.2: A 21 SER OG : rot 127:sc= 1.14 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.335 (180deg=-0.155) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.23) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0734 USER MOD Single : A 8 THR OG1 : rot -131:sc= 0.654 USER MOD Single : A 12 THR OG1 : rot 42:sc= 1.92 USER MOD Single : A 14 GLN : amide:sc= 0.342 K(o=0.34,f=-4.8!) USER MOD Single : A 16 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.27) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 3.03 (180deg=-0.321) USER MOD Single : A 29 GLN : amide:sc= -0.0828 X(o=-0.083,f=0) USER MOD Single : A 39 HIS : no HE2:sc= 0.207 K(o=0.21,f=-4.7!) USER MOD Single : A 40 THR OG1 : rot 120:sc= -0.0129 USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= 1.44 (180deg=0.668) USER MOD Single : A 52 THR OG1 : rot -44:sc= 0.773 USER MOD Single : A 53 TYR OH : rot 125:sc= 0.152 USER MOD Single : A 56 THR OG1 : rot 27:sc= 0.124 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -132:sc= -0.129 (180deg=-0.757) USER MOD Single : A 68 THR OG1 : rot -88:sc= 1.08 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 31:sc= 1.09 USER MOD Single : A 77 GLN :FLIP amide:sc= -1.43 F(o=-3.3,f=-1.4) USER MOD Single : A 84 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.06) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 91 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.2) USER MOD Single : A 100 LYS NZ :NH3+ -151:sc= 0.951 (180deg=-1.27!) USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= 0.753 (180deg=0.614) USER MOD Single : A 106 HIS : no HE2:sc= -3.57 K(o=-3.6,f=-6.1!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 30:sc= -0.0472 USER MOD Single : A 116 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.0916 X(o=-0.092,f=-0.16) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 37:sc= 0.647 USER MOD Single : A 131 LYS NZ :NH3+ -119:sc= 1.23 (180deg=-0.0211) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.176 F(o=-0.68,f=-0.18) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ -168:sc= 1.11 (180deg=1.06) USER MOD Single : A 143 THR OG1 : rot 161:sc= -0.0978 USER MOD Single : A 145 ASN : amide:sc=0.000642 K(o=0.00064,f=-0.64) USER MOD Single : A 149 HIS : no HE2:sc= -0.698 K(o=-0.7,f=-5.5!) USER MOD Single : A 155 LYS NZ :NH3+ -117:sc= 1.16 (180deg=-0.159) USER MOD Single : A 156 GLN : amide:sc= -2.14! C(o=-2.1!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.780 -41.362 -3.230 1.00 53.47 N ATOM 2 CA MET A 1 22.297 -42.277 -2.182 1.00 53.62 C ATOM 3 C MET A 1 20.784 -42.377 -2.353 1.00 52.13 C ATOM 4 O MET A 1 20.286 -41.830 -3.336 1.00 51.47 O ATOM 5 CB MET A 1 22.701 -41.791 -0.781 1.00 54.55 C ATOM 6 CG MET A 1 24.222 -41.761 -0.577 1.00 55.87 C ATOM 7 SD MET A 1 24.723 -41.218 1.076 1.00 57.03 S ATOM 8 CE MET A 1 26.519 -41.338 0.922 1.00 58.61 C ATOM 0 H1 MET A 1 23.506 -41.840 -3.801 1.00 53.47 H new ATOM 0 H2 MET A 1 21.986 -41.085 -3.842 1.00 53.47 H new ATOM 0 H3 MET A 1 23.190 -40.514 -2.789 1.00 53.47 H new ATOM 0 HA MET A 1 22.750 -43.263 -2.281 1.00 53.62 H new ATOM 0 HB2 MET A 1 22.297 -40.792 -0.618 1.00 54.55 H new ATOM 0 HB3 MET A 1 22.251 -42.443 -0.032 1.00 54.55 H new ATOM 0 HG2 MET A 1 24.624 -42.757 -0.760 1.00 55.87 H new ATOM 0 HG3 MET A 1 24.666 -41.097 -1.318 1.00 55.87 H new ATOM 0 HE1 MET A 1 26.986 -41.037 1.860 1.00 58.61 H new ATOM 0 HE2 MET A 1 26.797 -42.367 0.693 1.00 58.61 H new ATOM 0 HE3 MET A 1 26.860 -40.683 0.120 1.00 58.61 H new ATOM 20 N GLN A 2 20.075 -43.058 -1.451 1.00 51.66 N ATOM 21 CA GLN A 2 18.621 -43.103 -1.482 1.00 50.26 C ATOM 22 C GLN A 2 18.066 -41.687 -1.289 1.00 48.99 C ATOM 23 O GLN A 2 18.634 -40.898 -0.536 1.00 49.57 O ATOM 24 CB GLN A 2 18.128 -44.059 -0.385 1.00 50.55 C ATOM 25 CG GLN A 2 16.605 -44.258 -0.408 1.00 49.71 C ATOM 26 CD GLN A 2 16.137 -45.260 0.647 1.00 50.40 C ATOM 27 OE1 GLN A 2 16.935 -45.827 1.384 1.00 51.43 O ATOM 28 NE2 GLN A 2 14.829 -45.486 0.730 1.00 49.92 N ATOM 0 H GLN A 2 20.493 -43.588 -0.686 1.00 51.66 H new ATOM 0 HA GLN A 2 18.268 -43.474 -2.444 1.00 50.26 H new ATOM 0 HB2 GLN A 2 18.618 -45.025 -0.505 1.00 50.55 H new ATOM 0 HB3 GLN A 2 18.424 -43.670 0.589 1.00 50.55 H new ATOM 0 HG2 GLN A 2 16.113 -43.300 -0.240 1.00 49.71 H new ATOM 0 HG3 GLN A 2 16.301 -44.604 -1.396 1.00 49.71 H new ATOM 0 HE21 GLN A 2 14.187 -45.000 0.104 1.00 49.92 H new ATOM 0 HE22 GLN A 2 14.468 -46.145 1.420 1.00 49.92 H new ATOM 37 N SER A 3 16.960 -41.368 -1.962 1.00 47.32 N ATOM 38 CA SER A 3 16.213 -40.137 -1.768 1.00 45.93 C ATOM 39 C SER A 3 14.821 -40.365 -2.358 1.00 44.25 C ATOM 40 O SER A 3 14.657 -41.261 -3.187 1.00 44.13 O ATOM 41 CB SER A 3 16.928 -38.963 -2.450 1.00 45.97 C ATOM 42 OG SER A 3 16.317 -37.741 -2.082 1.00 45.74 O ATOM 0 H SER A 3 16.554 -41.977 -2.673 1.00 47.32 H new ATOM 0 HA SER A 3 16.137 -39.883 -0.711 1.00 45.93 H new ATOM 0 HB2 SER A 3 17.980 -38.953 -2.165 1.00 45.97 H new ATOM 0 HB3 SER A 3 16.892 -39.085 -3.533 1.00 45.97 H new ATOM 0 HG SER A 3 16.781 -36.998 -2.521 1.00 45.74 H new ATOM 48 N HIS A 4 13.836 -39.586 -1.913 1.00 43.04 N ATOM 49 CA HIS A 4 12.448 -39.635 -2.344 1.00 41.36 C ATOM 50 C HIS A 4 11.738 -38.451 -1.688 1.00 40.28 C ATOM 51 O HIS A 4 12.200 -37.957 -0.660 1.00 41.07 O ATOM 52 CB HIS A 4 11.800 -40.965 -1.920 1.00 41.51 C ATOM 53 CG HIS A 4 10.314 -41.023 -2.169 1.00 40.72 C ATOM 54 ND1 HIS A 4 9.696 -41.042 -3.400 1.00 40.24 N ATOM 55 CD2 HIS A 4 9.333 -40.912 -1.218 1.00 40.42 C ATOM 56 CE1 HIS A 4 8.371 -40.954 -3.188 1.00 39.66 C ATOM 57 NE2 HIS A 4 8.102 -40.872 -1.875 1.00 39.74 N ATOM 0 H HIS A 4 13.997 -38.869 -1.206 1.00 43.04 H new ATOM 0 HA HIS A 4 12.373 -39.574 -3.430 1.00 41.36 H new ATOM 0 HB2 HIS A 4 12.282 -41.781 -2.458 1.00 41.51 H new ATOM 0 HB3 HIS A 4 11.988 -41.128 -0.859 1.00 41.51 H new ATOM 0 HD2 HIS A 4 9.485 -40.864 -0.150 1.00 40.42 H new ATOM 0 HE1 HIS A 4 7.624 -40.950 -3.968 1.00 39.66 H new ATOM 0 HE2 HIS A 4 7.181 -40.796 -1.443 1.00 39.74 H new ATOM 65 N SER A 5 10.623 -38.007 -2.269 1.00 38.56 N ATOM 66 CA SER A 5 9.660 -37.118 -1.646 1.00 37.35 C ATOM 67 C SER A 5 8.377 -37.206 -2.472 1.00 35.49 C ATOM 68 O SER A 5 8.379 -37.822 -3.540 1.00 35.18 O ATOM 69 CB SER A 5 10.195 -35.682 -1.570 1.00 37.48 C ATOM 70 OG SER A 5 9.275 -34.868 -0.864 1.00 37.05 O ATOM 0 H SER A 5 10.363 -38.270 -3.220 1.00 38.56 H new ATOM 0 HA SER A 5 9.466 -37.416 -0.615 1.00 37.35 H new ATOM 0 HB2 SER A 5 11.164 -35.670 -1.071 1.00 37.48 H new ATOM 0 HB3 SER A 5 10.349 -35.287 -2.574 1.00 37.48 H new ATOM 0 HG SER A 5 9.619 -33.952 -0.815 1.00 37.05 H new ATOM 76 N ALA A 6 7.304 -36.590 -1.978 1.00 34.35 N ATOM 77 CA ALA A 6 5.994 -36.534 -2.607 1.00 32.56 C ATOM 78 C ALA A 6 5.154 -35.514 -1.838 1.00 31.51 C ATOM 79 O ALA A 6 5.409 -35.276 -0.659 1.00 32.28 O ATOM 80 CB ALA A 6 5.326 -37.914 -2.574 1.00 32.63 C ATOM 0 H ALA A 6 7.330 -36.095 -1.087 1.00 34.35 H new ATOM 0 HA ALA A 6 6.086 -36.238 -3.652 1.00 32.56 H new ATOM 0 HB1 ALA A 6 4.346 -37.856 -3.048 1.00 32.63 H new ATOM 0 HB2 ALA A 6 5.947 -38.632 -3.110 1.00 32.63 H new ATOM 0 HB3 ALA A 6 5.209 -38.237 -1.540 1.00 32.63 H new ATOM 86 N LEU A 7 4.166 -34.906 -2.498 1.00 29.85 N ATOM 87 CA LEU A 7 3.249 -33.950 -1.929 1.00 28.71 C ATOM 88 C LEU A 7 1.934 -34.045 -2.695 1.00 27.03 C ATOM 89 O LEU A 7 1.907 -34.604 -3.792 1.00 26.79 O ATOM 90 CB LEU A 7 3.882 -32.558 -2.001 1.00 28.66 C ATOM 91 CG LEU A 7 4.341 -32.061 -3.387 1.00 28.01 C ATOM 92 CD1 LEU A 7 3.197 -31.455 -4.213 1.00 26.60 C ATOM 93 CD2 LEU A 7 5.408 -30.977 -3.189 1.00 28.62 C ATOM 0 H LEU A 7 3.986 -35.083 -3.486 1.00 29.85 H new ATOM 0 HA LEU A 7 3.041 -34.155 -0.879 1.00 28.71 H new ATOM 0 HB2 LEU A 7 3.164 -31.840 -1.606 1.00 28.66 H new ATOM 0 HB3 LEU A 7 4.745 -32.545 -1.335 1.00 28.66 H new ATOM 0 HG LEU A 7 4.726 -32.924 -3.930 1.00 28.01 H new ATOM 0 HD11 LEU A 7 3.581 -31.123 -5.178 1.00 26.60 H new ATOM 0 HD12 LEU A 7 2.423 -32.207 -4.369 1.00 26.60 H new ATOM 0 HD13 LEU A 7 2.774 -30.604 -3.679 1.00 26.60 H new ATOM 0 HD21 LEU A 7 5.743 -30.615 -4.161 1.00 28.62 H new ATOM 0 HD22 LEU A 7 4.985 -30.150 -2.620 1.00 28.62 H new ATOM 0 HD23 LEU A 7 6.255 -31.395 -2.646 1.00 28.62 H new ATOM 105 N THR A 8 0.842 -33.517 -2.133 1.00 26.00 N ATOM 106 CA THR A 8 -0.467 -33.525 -2.770 1.00 24.40 C ATOM 107 C THR A 8 -1.395 -32.538 -2.045 1.00 23.28 C ATOM 108 O THR A 8 -0.993 -31.398 -1.797 1.00 23.35 O ATOM 109 CB THR A 8 -1.006 -34.971 -2.904 1.00 24.64 C ATOM 110 OG1 THR A 8 -2.294 -34.975 -3.500 1.00 23.42 O ATOM 111 CG2 THR A 8 -1.042 -35.733 -1.572 1.00 25.62 C ATOM 0 H THR A 8 0.848 -33.070 -1.216 1.00 26.00 H new ATOM 0 HA THR A 8 -0.401 -33.168 -3.798 1.00 24.40 H new ATOM 0 HB THR A 8 -0.302 -35.496 -3.550 1.00 24.64 H new ATOM 0 HG1 THR A 8 -2.899 -35.531 -2.967 1.00 23.42 H new ATOM 0 HG21 THR A 8 -1.430 -36.738 -1.738 1.00 25.62 H new ATOM 0 HG22 THR A 8 -0.034 -35.796 -1.161 1.00 25.62 H new ATOM 0 HG23 THR A 8 -1.688 -35.207 -0.869 1.00 25.62 H new ATOM 119 N ALA A 9 -2.630 -32.961 -1.750 1.00 22.38 N ATOM 120 CA ALA A 9 -3.727 -32.195 -1.168 1.00 21.28 C ATOM 121 C ALA A 9 -4.209 -31.107 -2.129 1.00 19.47 C ATOM 122 O ALA A 9 -3.509 -30.757 -3.086 1.00 19.33 O ATOM 123 CB ALA A 9 -3.360 -31.650 0.217 1.00 22.06 C ATOM 0 H ALA A 9 -2.905 -33.927 -1.929 1.00 22.38 H new ATOM 0 HA ALA A 9 -4.569 -32.870 -1.014 1.00 21.28 H new ATOM 0 HB1 ALA A 9 -4.200 -31.085 0.620 1.00 22.06 H new ATOM 0 HB2 ALA A 9 -3.127 -32.480 0.884 1.00 22.06 H new ATOM 0 HB3 ALA A 9 -2.491 -30.997 0.133 1.00 22.06 H new ATOM 129 N PHE A 10 -5.402 -30.564 -1.885 1.00 18.29 N ATOM 130 CA PHE A 10 -6.067 -29.607 -2.756 1.00 16.58 C ATOM 131 C PHE A 10 -6.823 -28.583 -1.919 1.00 15.90 C ATOM 132 O PHE A 10 -7.111 -28.839 -0.749 1.00 16.58 O ATOM 133 CB PHE A 10 -7.020 -30.351 -3.703 1.00 16.02 C ATOM 134 CG PHE A 10 -8.057 -31.206 -3.000 1.00 16.47 C ATOM 135 CD1 PHE A 10 -7.795 -32.565 -2.740 1.00 17.45 C ATOM 136 CD2 PHE A 10 -9.268 -30.633 -2.566 1.00 16.25 C ATOM 137 CE1 PHE A 10 -8.732 -33.343 -2.039 1.00 18.19 C ATOM 138 CE2 PHE A 10 -10.202 -31.412 -1.861 1.00 17.05 C ATOM 139 CZ PHE A 10 -9.934 -32.766 -1.596 1.00 18.01 C ATOM 0 H PHE A 10 -5.944 -30.787 -1.050 1.00 18.29 H new ATOM 0 HA PHE A 10 -5.325 -29.078 -3.354 1.00 16.58 H new ATOM 0 HB2 PHE A 10 -7.532 -29.622 -4.331 1.00 16.02 H new ATOM 0 HB3 PHE A 10 -6.432 -30.985 -4.366 1.00 16.02 H new ATOM 0 HD1 PHE A 10 -6.872 -33.010 -3.080 1.00 17.45 H new ATOM 0 HD2 PHE A 10 -9.479 -29.595 -2.775 1.00 16.25 H new ATOM 0 HE1 PHE A 10 -8.528 -34.385 -1.841 1.00 18.19 H new ATOM 0 HE2 PHE A 10 -11.127 -30.969 -1.522 1.00 17.05 H new ATOM 0 HZ PHE A 10 -10.652 -33.363 -1.052 1.00 18.01 H new ATOM 149 N GLN A 11 -7.121 -27.435 -2.536 1.00 14.76 N ATOM 150 CA GLN A 11 -7.991 -26.378 -2.044 1.00 13.96 C ATOM 151 C GLN A 11 -7.904 -25.201 -3.015 1.00 12.38 C ATOM 152 O GLN A 11 -6.925 -25.084 -3.750 1.00 12.51 O ATOM 153 CB GLN A 11 -7.626 -25.955 -0.608 1.00 14.87 C ATOM 154 CG GLN A 11 -8.688 -26.440 0.392 1.00 15.78 C ATOM 155 CD GLN A 11 -8.089 -26.715 1.764 1.00 17.01 C ATOM 156 OE1 GLN A 11 -8.356 -26.006 2.730 1.00 17.28 O ATOM 157 NE2 GLN A 11 -7.278 -27.763 1.853 1.00 17.99 N ATOM 0 H GLN A 11 -6.732 -27.211 -3.452 1.00 14.76 H new ATOM 0 HA GLN A 11 -9.017 -26.744 -1.996 1.00 13.96 H new ATOM 0 HB2 GLN A 11 -6.653 -26.366 -0.339 1.00 14.87 H new ATOM 0 HB3 GLN A 11 -7.539 -24.870 -0.555 1.00 14.87 H new ATOM 0 HG2 GLN A 11 -9.473 -25.689 0.482 1.00 15.78 H new ATOM 0 HG3 GLN A 11 -9.158 -27.347 0.012 1.00 15.78 H new ATOM 0 HE21 GLN A 11 -7.081 -28.327 1.026 1.00 17.99 H new ATOM 0 HE22 GLN A 11 -6.852 -28.004 2.748 1.00 17.99 H new ATOM 166 N THR A 12 -8.938 -24.363 -3.012 1.00 11.17 N ATOM 167 CA THR A 12 -9.023 -23.066 -3.675 1.00 9.69 C ATOM 168 C THR A 12 -10.155 -22.334 -2.947 1.00 9.10 C ATOM 169 O THR A 12 -10.718 -22.896 -2.006 1.00 10.19 O ATOM 170 CB THR A 12 -9.221 -23.225 -5.198 1.00 9.35 C ATOM 171 OG1 THR A 12 -9.389 -21.994 -5.881 1.00 8.82 O ATOM 172 CG2 THR A 12 -10.424 -24.112 -5.535 1.00 9.51 C ATOM 0 H THR A 12 -9.797 -24.589 -2.511 1.00 11.17 H new ATOM 0 HA THR A 12 -8.105 -22.482 -3.610 1.00 9.69 H new ATOM 0 HB THR A 12 -8.297 -23.693 -5.537 1.00 9.35 H new ATOM 0 HG1 THR A 12 -8.758 -21.334 -5.526 1.00 8.82 H new ATOM 0 HG21 THR A 12 -10.523 -24.195 -6.617 1.00 9.51 H new ATOM 0 HG22 THR A 12 -10.276 -25.104 -5.107 1.00 9.51 H new ATOM 0 HG23 THR A 12 -11.330 -23.670 -5.120 1.00 9.51 H new ATOM 180 N GLU A 13 -10.471 -21.099 -3.321 1.00 7.77 N ATOM 181 CA GLU A 13 -11.371 -20.204 -2.606 1.00 7.47 C ATOM 182 C GLU A 13 -12.814 -20.725 -2.633 1.00 8.16 C ATOM 183 O GLU A 13 -13.656 -20.256 -3.395 1.00 7.86 O ATOM 184 CB GLU A 13 -11.242 -18.787 -3.177 1.00 6.04 C ATOM 185 CG GLU A 13 -9.771 -18.339 -3.151 1.00 5.68 C ATOM 186 CD GLU A 13 -9.077 -18.550 -4.485 1.00 5.48 C ATOM 187 OE1 GLU A 13 -8.715 -19.717 -4.767 1.00 6.31 O ATOM 188 OE2 GLU A 13 -8.970 -17.541 -5.211 1.00 5.32 O ATOM 0 H GLU A 13 -10.090 -20.677 -4.168 1.00 7.77 H new ATOM 0 HA GLU A 13 -11.086 -20.169 -1.554 1.00 7.47 H new ATOM 0 HB2 GLU A 13 -11.620 -18.763 -4.199 1.00 6.04 H new ATOM 0 HB3 GLU A 13 -11.851 -18.095 -2.595 1.00 6.04 H new ATOM 0 HG2 GLU A 13 -9.720 -17.284 -2.881 1.00 5.68 H new ATOM 0 HG3 GLU A 13 -9.239 -18.892 -2.377 1.00 5.68 H new ATOM 195 N GLN A 14 -13.071 -21.720 -1.786 1.00 9.49 N ATOM 196 CA GLN A 14 -14.364 -22.331 -1.537 1.00 10.74 C ATOM 197 C GLN A 14 -15.205 -21.381 -0.669 1.00 11.42 C ATOM 198 O GLN A 14 -14.877 -20.203 -0.541 1.00 11.20 O ATOM 199 CB GLN A 14 -14.095 -23.696 -0.877 1.00 12.25 C ATOM 200 CG GLN A 14 -13.410 -24.659 -1.869 1.00 12.46 C ATOM 201 CD GLN A 14 -12.415 -25.597 -1.190 1.00 13.81 C ATOM 202 OE1 GLN A 14 -11.256 -25.693 -1.588 1.00 14.00 O ATOM 203 NE2 GLN A 14 -12.862 -26.316 -0.162 1.00 15.07 N ATOM 0 H GLN A 14 -12.333 -22.143 -1.223 1.00 9.49 H new ATOM 0 HA GLN A 14 -14.939 -22.500 -2.448 1.00 10.74 H new ATOM 0 HB2 GLN A 14 -13.464 -23.562 0.001 1.00 12.25 H new ATOM 0 HB3 GLN A 14 -15.034 -24.129 -0.532 1.00 12.25 H new ATOM 0 HG2 GLN A 14 -14.171 -25.250 -2.378 1.00 12.46 H new ATOM 0 HG3 GLN A 14 -12.893 -24.079 -2.633 1.00 12.46 H new ATOM 0 HE21 GLN A 14 -13.829 -26.217 0.148 1.00 15.07 H new ATOM 0 HE22 GLN A 14 -12.238 -26.966 0.316 1.00 15.07 H new ATOM 212 N ILE A 15 -16.293 -21.879 -0.077 1.00 12.66 N ATOM 213 CA ILE A 15 -17.173 -21.127 0.809 1.00 13.86 C ATOM 214 C ILE A 15 -17.431 -22.021 2.022 1.00 15.08 C ATOM 215 O ILE A 15 -17.464 -23.240 1.858 1.00 14.97 O ATOM 216 CB ILE A 15 -18.472 -20.741 0.068 1.00 14.14 C ATOM 217 CG1 ILE A 15 -18.141 -19.885 -1.172 1.00 13.24 C ATOM 218 CG2 ILE A 15 -19.432 -19.986 1.001 1.00 15.59 C ATOM 219 CD1 ILE A 15 -19.372 -19.450 -1.973 1.00 13.79 C ATOM 0 H ILE A 15 -16.591 -22.846 -0.207 1.00 12.66 H new ATOM 0 HA ILE A 15 -16.725 -20.188 1.134 1.00 13.86 H new ATOM 0 HB ILE A 15 -18.967 -21.656 -0.257 1.00 14.14 H new ATOM 0 HG12 ILE A 15 -17.595 -18.997 -0.853 1.00 13.24 H new ATOM 0 HG13 ILE A 15 -17.476 -20.451 -1.825 1.00 13.24 H new ATOM 0 HG21 ILE A 15 -20.339 -19.725 0.456 1.00 15.59 H new ATOM 0 HG22 ILE A 15 -19.688 -20.620 1.850 1.00 15.59 H new ATOM 0 HG23 ILE A 15 -18.950 -19.077 1.360 1.00 15.59 H new ATOM 0 HD11 ILE A 15 -19.057 -18.852 -2.828 1.00 13.79 H new ATOM 0 HD12 ILE A 15 -19.908 -20.332 -2.324 1.00 13.79 H new ATOM 0 HD13 ILE A 15 -20.028 -18.856 -1.337 1.00 13.79 H new ATOM 231 N GLN A 16 -17.590 -21.419 3.206 1.00 16.46 N ATOM 232 CA GLN A 16 -17.874 -22.033 4.495 1.00 18.03 C ATOM 233 C GLN A 16 -16.570 -22.467 5.159 1.00 18.34 C ATOM 234 O GLN A 16 -16.279 -23.658 5.243 1.00 18.45 O ATOM 235 CB GLN A 16 -18.958 -23.131 4.426 1.00 18.80 C ATOM 236 CG GLN A 16 -19.337 -23.737 5.788 1.00 20.70 C ATOM 237 CD GLN A 16 -19.642 -22.688 6.853 1.00 21.86 C ATOM 238 OE1 GLN A 16 -20.771 -22.227 6.974 1.00 22.54 O ATOM 239 NE2 GLN A 16 -18.638 -22.304 7.639 1.00 22.37 N ATOM 0 H GLN A 16 -17.516 -20.405 3.287 1.00 16.46 H new ATOM 0 HA GLN A 16 -18.329 -21.283 5.142 1.00 18.03 H new ATOM 0 HB2 GLN A 16 -19.853 -22.712 3.967 1.00 18.80 H new ATOM 0 HB3 GLN A 16 -18.608 -23.929 3.772 1.00 18.80 H new ATOM 0 HG2 GLN A 16 -20.208 -24.380 5.662 1.00 20.70 H new ATOM 0 HG3 GLN A 16 -18.521 -24.370 6.135 1.00 20.70 H new ATOM 0 HE21 GLN A 16 -17.709 -22.707 7.513 1.00 22.37 H new ATOM 0 HE22 GLN A 16 -18.798 -21.607 8.367 1.00 22.37 H new ATOM 248 N ASP A 17 -15.807 -21.485 5.653 1.00 18.81 N ATOM 249 CA ASP A 17 -14.597 -21.629 6.470 1.00 19.68 C ATOM 250 C ASP A 17 -13.404 -22.072 5.622 1.00 18.44 C ATOM 251 O ASP A 17 -12.386 -21.380 5.555 1.00 18.27 O ATOM 252 CB ASP A 17 -14.819 -22.538 7.687 1.00 21.46 C ATOM 253 CG ASP A 17 -13.528 -22.681 8.478 1.00 22.58 C ATOM 254 OD1 ASP A 17 -13.319 -21.843 9.379 1.00 23.80 O ATOM 255 OD2 ASP A 17 -12.773 -23.623 8.155 1.00 22.35 O ATOM 0 H ASP A 17 -16.033 -20.505 5.481 1.00 18.81 H new ATOM 0 HA ASP A 17 -14.359 -20.644 6.871 1.00 19.68 H new ATOM 0 HB2 ASP A 17 -15.600 -22.122 8.323 1.00 21.46 H new ATOM 0 HB3 ASP A 17 -15.164 -23.519 7.359 1.00 21.46 H new ATOM 260 N SER A 18 -13.582 -23.166 4.876 1.00 17.71 N ATOM 261 CA SER A 18 -12.671 -23.629 3.842 1.00 16.54 C ATOM 262 C SER A 18 -12.262 -22.521 2.867 1.00 14.94 C ATOM 263 O SER A 18 -11.233 -22.634 2.212 1.00 14.25 O ATOM 264 CB SER A 18 -13.339 -24.773 3.079 1.00 16.24 C ATOM 265 OG SER A 18 -13.841 -25.730 3.992 1.00 17.89 O ATOM 0 H SER A 18 -14.396 -23.771 4.985 1.00 17.71 H new ATOM 0 HA SER A 18 -11.756 -23.966 4.329 1.00 16.54 H new ATOM 0 HB2 SER A 18 -14.150 -24.386 2.462 1.00 16.24 H new ATOM 0 HB3 SER A 18 -12.621 -25.241 2.406 1.00 16.24 H new ATOM 0 HG SER A 18 -14.270 -26.460 3.498 1.00 17.89 H new ATOM 271 N GLU A 19 -13.060 -21.457 2.751 1.00 14.56 N ATOM 272 CA GLU A 19 -12.690 -20.245 2.044 1.00 13.51 C ATOM 273 C GLU A 19 -11.319 -19.715 2.477 1.00 13.88 C ATOM 274 O GLU A 19 -10.487 -19.392 1.629 1.00 12.88 O ATOM 275 CB GLU A 19 -13.799 -19.203 2.236 1.00 14.02 C ATOM 276 CG GLU A 19 -14.095 -18.811 3.692 1.00 15.95 C ATOM 277 CD GLU A 19 -15.546 -18.384 3.843 1.00 16.76 C ATOM 278 OE1 GLU A 19 -16.357 -19.281 4.168 1.00 17.23 O ATOM 279 OE2 GLU A 19 -15.821 -17.194 3.592 1.00 17.11 O ATOM 0 H GLU A 19 -13.996 -21.420 3.155 1.00 14.56 H new ATOM 0 HA GLU A 19 -12.591 -20.470 0.982 1.00 13.51 H new ATOM 0 HB2 GLU A 19 -13.527 -18.303 1.684 1.00 14.02 H new ATOM 0 HB3 GLU A 19 -14.716 -19.587 1.788 1.00 14.02 H new ATOM 0 HG2 GLU A 19 -13.887 -19.654 4.351 1.00 15.95 H new ATOM 0 HG3 GLU A 19 -13.437 -17.998 3.997 1.00 15.95 H new ATOM 286 N HIS A 20 -11.078 -19.587 3.786 1.00 15.57 N ATOM 287 CA HIS A 20 -9.895 -18.893 4.274 1.00 16.42 C ATOM 288 C HIS A 20 -8.610 -19.688 4.030 1.00 16.11 C ATOM 289 O HIS A 20 -7.568 -19.095 3.759 1.00 16.00 O ATOM 290 CB HIS A 20 -10.043 -18.471 5.740 1.00 18.55 C ATOM 291 CG HIS A 20 -8.926 -17.544 6.160 1.00 19.95 C ATOM 292 ND1 HIS A 20 -7.858 -17.878 6.960 1.00 21.26 N ATOM 293 CD2 HIS A 20 -8.663 -16.311 5.621 1.00 20.23 C ATOM 294 CE1 HIS A 20 -6.980 -16.860 6.909 1.00 22.24 C ATOM 295 NE2 HIS A 20 -7.415 -15.884 6.093 1.00 21.70 N ATOM 0 H HIS A 20 -11.686 -19.954 4.518 1.00 15.57 H new ATOM 0 HA HIS A 20 -9.807 -17.978 3.688 1.00 16.42 H new ATOM 0 HB2 HIS A 20 -11.003 -17.975 5.883 1.00 18.55 H new ATOM 0 HB3 HIS A 20 -10.043 -19.355 6.377 1.00 18.55 H new ATOM 0 HD1 HIS A 20 -7.751 -18.740 7.494 1.00 21.26 H new ATOM 0 HD2 HIS A 20 -9.307 -15.763 4.949 1.00 20.23 H new ATOM 0 HE1 HIS A 20 -6.047 -16.831 7.453 1.00 22.24 H new ATOM 303 N SER A 21 -8.659 -21.017 4.137 1.00 16.30 N ATOM 304 CA SER A 21 -7.554 -21.860 3.704 1.00 16.24 C ATOM 305 C SER A 21 -7.485 -21.831 2.177 1.00 14.34 C ATOM 306 O SER A 21 -6.433 -21.579 1.593 1.00 14.24 O ATOM 307 CB SER A 21 -7.775 -23.276 4.236 1.00 17.28 C ATOM 308 OG SER A 21 -9.105 -23.677 3.973 1.00 17.29 O ATOM 0 H SER A 21 -9.454 -21.528 4.520 1.00 16.30 H new ATOM 0 HA SER A 21 -6.604 -21.497 4.095 1.00 16.24 H new ATOM 0 HB2 SER A 21 -7.076 -23.966 3.764 1.00 17.28 H new ATOM 0 HB3 SER A 21 -7.580 -23.308 5.308 1.00 17.28 H new ATOM 0 HG SER A 21 -9.101 -24.537 3.503 1.00 17.29 H new ATOM 314 N GLY A 22 -8.637 -22.070 1.546 1.00 13.11 N ATOM 315 CA GLY A 22 -8.899 -21.978 0.119 1.00 11.43 C ATOM 316 C GLY A 22 -8.125 -20.858 -0.564 1.00 10.59 C ATOM 317 O GLY A 22 -7.449 -21.088 -1.562 1.00 10.34 O ATOM 0 H GLY A 22 -9.469 -22.354 2.063 1.00 13.11 H new ATOM 0 HA2 GLY A 22 -8.643 -22.927 -0.352 1.00 11.43 H new ATOM 0 HA3 GLY A 22 -9.966 -21.821 -0.038 1.00 11.43 H new ATOM 321 N LYS A 23 -8.209 -19.659 0.017 1.00 10.70 N ATOM 322 CA LYS A 23 -7.457 -18.454 -0.279 1.00 10.62 C ATOM 323 C LYS A 23 -6.028 -18.688 -0.783 1.00 11.48 C ATOM 324 O LYS A 23 -5.518 -17.891 -1.570 1.00 11.39 O ATOM 325 CB LYS A 23 -7.449 -17.639 1.011 1.00 11.75 C ATOM 326 CG LYS A 23 -7.114 -16.179 0.738 1.00 12.29 C ATOM 327 CD LYS A 23 -7.144 -15.349 2.023 1.00 13.81 C ATOM 328 CE LYS A 23 -6.037 -15.749 3.010 1.00 15.52 C ATOM 329 NZ LYS A 23 -5.895 -14.754 4.091 1.00 16.87 N ATOM 0 H LYS A 23 -8.870 -19.501 0.777 1.00 10.70 H new ATOM 0 HA LYS A 23 -7.939 -17.937 -1.109 1.00 10.62 H new ATOM 0 HB2 LYS A 23 -8.424 -17.707 1.493 1.00 11.75 H new ATOM 0 HB3 LYS A 23 -6.720 -18.058 1.705 1.00 11.75 H new ATOM 0 HG2 LYS A 23 -6.127 -16.110 0.282 1.00 12.29 H new ATOM 0 HG3 LYS A 23 -7.826 -15.769 0.022 1.00 12.29 H new ATOM 0 HD2 LYS A 23 -7.038 -14.294 1.772 1.00 13.81 H new ATOM 0 HD3 LYS A 23 -8.115 -15.466 2.504 1.00 13.81 H new ATOM 0 HE2 LYS A 23 -6.265 -16.725 3.439 1.00 15.52 H new ATOM 0 HE3 LYS A 23 -5.091 -15.848 2.478 1.00 15.52 H new ATOM 0 HZ1 LYS A 23 -4.886 -14.600 4.291 1.00 16.87 H new ATOM 0 HZ2 LYS A 23 -6.330 -13.857 3.796 1.00 16.87 H new ATOM 0 HZ3 LYS A 23 -6.368 -15.103 4.949 1.00 16.87 H new ATOM 343 N MET A 24 -5.348 -19.730 -0.302 1.00 12.67 N ATOM 344 CA MET A 24 -3.997 -20.053 -0.724 1.00 13.82 C ATOM 345 C MET A 24 -3.996 -20.654 -2.134 1.00 13.83 C ATOM 346 O MET A 24 -3.771 -21.853 -2.332 1.00 14.22 O ATOM 347 CB MET A 24 -3.330 -20.957 0.311 1.00 14.75 C ATOM 348 CG MET A 24 -3.355 -20.302 1.700 1.00 14.97 C ATOM 349 SD MET A 24 -2.597 -21.274 3.023 1.00 16.66 S ATOM 350 CE MET A 24 -2.938 -20.189 4.427 1.00 17.50 C ATOM 0 H MET A 24 -5.726 -20.372 0.394 1.00 12.67 H new ATOM 0 HA MET A 24 -3.405 -19.139 -0.782 1.00 13.82 H new ATOM 0 HB2 MET A 24 -3.844 -21.918 0.347 1.00 14.75 H new ATOM 0 HB3 MET A 24 -2.300 -21.157 0.016 1.00 14.75 H new ATOM 0 HG2 MET A 24 -2.846 -19.340 1.640 1.00 14.97 H new ATOM 0 HG3 MET A 24 -4.391 -20.097 1.969 1.00 14.97 H new ATOM 0 HE1 MET A 24 -2.537 -20.635 5.337 1.00 17.50 H new ATOM 0 HE2 MET A 24 -2.468 -19.220 4.260 1.00 17.50 H new ATOM 0 HE3 MET A 24 -4.015 -20.057 4.532 1.00 17.50 H new ATOM 360 N VAL A 25 -4.188 -19.764 -3.111 1.00 13.79 N ATOM 361 CA VAL A 25 -3.958 -19.957 -4.535 1.00 14.29 C ATOM 362 C VAL A 25 -2.505 -20.405 -4.731 1.00 15.68 C ATOM 363 O VAL A 25 -1.611 -19.607 -5.006 1.00 16.81 O ATOM 364 CB VAL A 25 -4.258 -18.629 -5.251 1.00 14.49 C ATOM 365 CG1 VAL A 25 -3.982 -18.697 -6.762 1.00 15.36 C ATOM 366 CG2 VAL A 25 -5.731 -18.230 -5.087 1.00 13.46 C ATOM 0 H VAL A 25 -4.532 -18.826 -2.908 1.00 13.79 H new ATOM 0 HA VAL A 25 -4.607 -20.725 -4.955 1.00 14.29 H new ATOM 0 HB VAL A 25 -3.597 -17.897 -4.787 1.00 14.49 H new ATOM 0 HG11 VAL A 25 -4.211 -17.733 -7.217 1.00 15.36 H new ATOM 0 HG12 VAL A 25 -2.932 -18.938 -6.930 1.00 15.36 H new ATOM 0 HG13 VAL A 25 -4.607 -19.468 -7.212 1.00 15.36 H new ATOM 0 HG21 VAL A 25 -5.912 -17.288 -5.604 1.00 13.46 H new ATOM 0 HG22 VAL A 25 -6.368 -19.006 -5.513 1.00 13.46 H new ATOM 0 HG23 VAL A 25 -5.961 -18.113 -4.028 1.00 13.46 H new ATOM 376 N ALA A 26 -2.272 -21.696 -4.514 1.00 15.88 N ATOM 377 CA ALA A 26 -0.957 -22.308 -4.412 1.00 17.37 C ATOM 378 C ALA A 26 -1.108 -23.823 -4.324 1.00 17.26 C ATOM 379 O ALA A 26 -0.332 -24.558 -4.930 1.00 17.68 O ATOM 380 CB ALA A 26 -0.226 -21.785 -3.168 1.00 18.88 C ATOM 0 H ALA A 26 -3.029 -22.370 -4.400 1.00 15.88 H new ATOM 0 HA ALA A 26 -0.373 -22.051 -5.296 1.00 17.37 H new ATOM 0 HB1 ALA A 26 0.758 -22.250 -3.102 1.00 18.88 H new ATOM 0 HB2 ALA A 26 -0.112 -20.703 -3.241 1.00 18.88 H new ATOM 0 HB3 ALA A 26 -0.804 -22.030 -2.277 1.00 18.88 H new ATOM 386 N LYS A 27 -2.092 -24.299 -3.549 1.00 16.97 N ATOM 387 CA LYS A 27 -2.275 -25.725 -3.310 1.00 17.17 C ATOM 388 C LYS A 27 -2.303 -26.555 -4.592 1.00 16.70 C ATOM 389 O LYS A 27 -1.621 -27.582 -4.640 1.00 17.25 O ATOM 390 CB LYS A 27 -3.547 -25.987 -2.489 1.00 16.70 C ATOM 391 CG LYS A 27 -3.246 -26.125 -0.994 1.00 17.81 C ATOM 392 CD LYS A 27 -2.964 -27.571 -0.541 1.00 18.86 C ATOM 393 CE LYS A 27 -1.631 -28.204 -0.990 1.00 19.91 C ATOM 394 NZ LYS A 27 -1.680 -28.907 -2.294 1.00 20.17 N ATOM 0 H LYS A 27 -2.775 -23.707 -3.077 1.00 16.97 H new ATOM 0 HA LYS A 27 -1.402 -26.046 -2.742 1.00 17.17 H new ATOM 0 HB2 LYS A 27 -4.253 -25.171 -2.643 1.00 16.70 H new ATOM 0 HB3 LYS A 27 -4.029 -26.897 -2.847 1.00 16.70 H new ATOM 0 HG2 LYS A 27 -2.384 -25.504 -0.749 1.00 17.81 H new ATOM 0 HG3 LYS A 27 -4.091 -25.736 -0.426 1.00 17.81 H new ATOM 0 HD2 LYS A 27 -3.000 -27.597 0.548 1.00 18.86 H new ATOM 0 HD3 LYS A 27 -3.776 -28.202 -0.902 1.00 18.86 H new ATOM 0 HE2 LYS A 27 -0.874 -27.421 -1.044 1.00 19.91 H new ATOM 0 HE3 LYS A 27 -1.305 -28.910 -0.226 1.00 19.91 H new ATOM 0 HZ1 LYS A 27 -1.078 -29.754 -2.254 1.00 20.17 H new ATOM 0 HZ2 LYS A 27 -2.660 -29.188 -2.500 1.00 20.17 H new ATOM 0 HZ3 LYS A 27 -1.336 -28.273 -3.043 1.00 20.17 H new ATOM 408 N ARG A 28 -3.149 -26.183 -5.553 1.00 16.00 N ATOM 409 CA ARG A 28 -3.391 -26.912 -6.789 1.00 15.87 C ATOM 410 C ARG A 28 -3.911 -25.925 -7.830 1.00 15.07 C ATOM 411 O ARG A 28 -4.196 -24.775 -7.502 1.00 14.94 O ATOM 412 CB ARG A 28 -4.463 -27.998 -6.568 1.00 16.23 C ATOM 413 CG ARG A 28 -4.017 -29.212 -5.748 1.00 17.36 C ATOM 414 CD ARG A 28 -2.943 -30.042 -6.453 1.00 18.71 C ATOM 415 NE ARG A 28 -2.727 -31.331 -5.768 1.00 19.95 N ATOM 416 CZ ARG A 28 -2.147 -32.391 -6.364 1.00 21.17 C ATOM 417 NH1 ARG A 28 -1.625 -32.252 -7.588 1.00 21.39 N ATOM 418 NH2 ARG A 28 -2.075 -33.586 -5.766 1.00 22.37 N ATOM 0 H ARG A 28 -3.705 -25.330 -5.485 1.00 16.00 H new ATOM 0 HA ARG A 28 -2.466 -27.384 -7.119 1.00 15.87 H new ATOM 0 HB2 ARG A 28 -5.319 -27.542 -6.072 1.00 16.23 H new ATOM 0 HB3 ARG A 28 -4.807 -28.347 -7.542 1.00 16.23 H new ATOM 0 HG2 ARG A 28 -3.634 -28.873 -4.785 1.00 17.36 H new ATOM 0 HG3 ARG A 28 -4.881 -29.844 -5.543 1.00 17.36 H new ATOM 0 HD2 ARG A 28 -3.239 -30.222 -7.486 1.00 18.71 H new ATOM 0 HD3 ARG A 28 -2.008 -29.482 -6.482 1.00 18.71 H new ATOM 0 HE ARG A 28 -3.031 -31.424 -4.799 1.00 19.95 H new ATOM 0 HH11 ARG A 28 -1.668 -31.350 -8.061 1.00 21.39 H new ATOM 0 HH12 ARG A 28 -1.184 -33.048 -8.048 1.00 21.39 H new ATOM 0 HH21 ARG A 28 -2.466 -33.714 -4.833 1.00 22.37 H new ATOM 0 HH22 ARG A 28 -1.629 -34.369 -6.244 1.00 22.37 H new ATOM 432 N GLN A 29 -4.075 -26.419 -9.060 1.00 14.94 N ATOM 433 CA GLN A 29 -4.962 -25.844 -10.059 1.00 14.63 C ATOM 434 C GLN A 29 -5.697 -26.979 -10.773 1.00 14.61 C ATOM 435 O GLN A 29 -6.920 -26.973 -10.863 1.00 14.66 O ATOM 436 CB GLN A 29 -4.196 -24.986 -11.074 1.00 15.38 C ATOM 437 CG GLN A 29 -3.757 -23.644 -10.476 1.00 15.63 C ATOM 438 CD GLN A 29 -3.242 -22.700 -11.557 1.00 16.63 C ATOM 439 OE1 GLN A 29 -2.058 -22.380 -11.593 1.00 17.38 O ATOM 440 NE2 GLN A 29 -4.116 -22.251 -12.454 1.00 16.97 N ATOM 0 H GLN A 29 -3.581 -27.248 -9.390 1.00 14.94 H new ATOM 0 HA GLN A 29 -5.675 -25.188 -9.558 1.00 14.63 H new ATOM 0 HB2 GLN A 29 -3.319 -25.532 -11.422 1.00 15.38 H new ATOM 0 HB3 GLN A 29 -4.826 -24.806 -11.945 1.00 15.38 H new ATOM 0 HG2 GLN A 29 -4.597 -23.182 -9.957 1.00 15.63 H new ATOM 0 HG3 GLN A 29 -2.976 -23.812 -9.734 1.00 15.63 H new ATOM 0 HE21 GLN A 29 -5.094 -22.534 -12.399 1.00 16.97 H new ATOM 0 HE22 GLN A 29 -3.808 -21.624 -13.197 1.00 16.97 H new ATOM 449 N PHE A 30 -4.935 -27.956 -11.279 1.00 14.92 N ATOM 450 CA PHE A 30 -5.438 -28.986 -12.184 1.00 15.44 C ATOM 451 C PHE A 30 -5.947 -28.310 -13.463 1.00 15.35 C ATOM 452 O PHE A 30 -5.548 -27.186 -13.762 1.00 15.39 O ATOM 453 CB PHE A 30 -6.509 -29.859 -11.504 1.00 15.28 C ATOM 454 CG PHE A 30 -6.155 -30.372 -10.121 1.00 15.72 C ATOM 455 CD1 PHE A 30 -6.873 -29.907 -9.002 1.00 15.67 C ATOM 456 CD2 PHE A 30 -5.257 -31.446 -9.978 1.00 16.58 C ATOM 457 CE1 PHE A 30 -6.739 -30.556 -7.762 1.00 16.51 C ATOM 458 CE2 PHE A 30 -5.120 -32.091 -8.737 1.00 17.37 C ATOM 459 CZ PHE A 30 -5.873 -31.656 -7.632 1.00 17.35 C ATOM 0 H PHE A 30 -3.942 -28.051 -11.067 1.00 14.92 H new ATOM 0 HA PHE A 30 -4.632 -29.669 -12.452 1.00 15.44 H new ATOM 0 HB2 PHE A 30 -7.431 -29.282 -11.433 1.00 15.28 H new ATOM 0 HB3 PHE A 30 -6.717 -30.714 -12.147 1.00 15.28 H new ATOM 0 HD1 PHE A 30 -7.526 -29.052 -9.096 1.00 15.67 H new ATOM 0 HD2 PHE A 30 -4.672 -31.775 -10.824 1.00 16.58 H new ATOM 0 HE1 PHE A 30 -7.302 -30.209 -6.908 1.00 16.51 H new ATOM 0 HE2 PHE A 30 -4.437 -32.921 -8.632 1.00 17.37 H new ATOM 0 HZ PHE A 30 -5.786 -32.166 -6.684 1.00 17.35 H new ATOM 469 N ARG A 31 -6.827 -28.968 -14.225 1.00 15.65 N ATOM 470 CA ARG A 31 -7.485 -28.305 -15.343 1.00 16.04 C ATOM 471 C ARG A 31 -8.466 -27.255 -14.830 1.00 15.20 C ATOM 472 O ARG A 31 -8.599 -26.196 -15.442 1.00 15.47 O ATOM 473 CB ARG A 31 -8.153 -29.326 -16.279 1.00 17.32 C ATOM 474 CG ARG A 31 -9.011 -28.684 -17.385 1.00 18.26 C ATOM 475 CD ARG A 31 -8.246 -27.693 -18.279 1.00 19.18 C ATOM 476 NE ARG A 31 -9.157 -26.956 -19.172 1.00 19.98 N ATOM 477 CZ ARG A 31 -9.749 -25.775 -18.904 1.00 20.13 C ATOM 478 NH1 ARG A 31 -9.623 -25.191 -17.708 1.00 19.48 N ATOM 479 NH2 ARG A 31 -10.476 -25.174 -19.853 1.00 21.21 N ATOM 0 H ARG A 31 -7.093 -29.943 -14.088 1.00 15.65 H new ATOM 0 HA ARG A 31 -6.733 -27.787 -15.938 1.00 16.04 H new ATOM 0 HB2 ARG A 31 -7.381 -29.941 -16.741 1.00 17.32 H new ATOM 0 HB3 ARG A 31 -8.779 -29.993 -15.687 1.00 17.32 H new ATOM 0 HG2 ARG A 31 -9.428 -29.473 -18.010 1.00 18.26 H new ATOM 0 HG3 ARG A 31 -9.851 -28.166 -16.923 1.00 18.26 H new ATOM 0 HD2 ARG A 31 -7.697 -26.988 -17.655 1.00 19.18 H new ATOM 0 HD3 ARG A 31 -7.509 -28.232 -18.874 1.00 19.18 H new ATOM 0 HE ARG A 31 -9.359 -27.379 -20.078 1.00 19.98 H new ATOM 0 HH11 ARG A 31 -9.070 -25.639 -16.977 1.00 19.48 H new ATOM 0 HH12 ARG A 31 -10.079 -24.297 -17.526 1.00 19.48 H new ATOM 0 HH21 ARG A 31 -10.578 -25.610 -20.770 1.00 21.21 H new ATOM 0 HH22 ARG A 31 -10.928 -24.280 -19.660 1.00 21.21 H new ATOM 493 N ILE A 32 -9.177 -27.574 -13.750 1.00 14.55 N ATOM 494 CA ILE A 32 -10.093 -26.684 -13.061 1.00 13.91 C ATOM 495 C ILE A 32 -9.915 -26.983 -11.572 1.00 13.08 C ATOM 496 O ILE A 32 -9.868 -28.154 -11.190 1.00 13.70 O ATOM 497 CB ILE A 32 -11.539 -26.945 -13.536 1.00 14.82 C ATOM 498 CG1 ILE A 32 -11.765 -26.348 -14.938 1.00 15.83 C ATOM 499 CG2 ILE A 32 -12.573 -26.370 -12.551 1.00 14.41 C ATOM 500 CD1 ILE A 32 -13.150 -26.643 -15.519 1.00 16.99 C ATOM 0 H ILE A 32 -9.125 -28.497 -13.319 1.00 14.55 H new ATOM 0 HA ILE A 32 -9.890 -25.633 -13.267 1.00 13.91 H new ATOM 0 HB ILE A 32 -11.676 -28.025 -13.579 1.00 14.82 H new ATOM 0 HG12 ILE A 32 -11.624 -25.268 -14.890 1.00 15.83 H new ATOM 0 HG13 ILE A 32 -11.006 -26.739 -15.616 1.00 15.83 H new ATOM 0 HG21 ILE A 32 -13.579 -26.573 -12.919 1.00 14.41 H new ATOM 0 HG22 ILE A 32 -12.443 -26.836 -11.574 1.00 14.41 H new ATOM 0 HG23 ILE A 32 -12.430 -25.293 -12.461 1.00 14.41 H new ATOM 0 HD11 ILE A 32 -13.234 -26.191 -16.507 1.00 16.99 H new ATOM 0 HD12 ILE A 32 -13.288 -27.721 -15.601 1.00 16.99 H new ATOM 0 HD13 ILE A 32 -13.916 -26.228 -14.864 1.00 16.99 H new ATOM 512 N GLY A 33 -9.827 -25.932 -10.761 1.00 12.00 N ATOM 513 CA GLY A 33 -9.687 -25.990 -9.310 1.00 11.35 C ATOM 514 C GLY A 33 -8.778 -24.860 -8.835 1.00 10.16 C ATOM 515 O GLY A 33 -7.824 -25.094 -8.095 1.00 10.20 O ATOM 0 H GLY A 33 -9.853 -24.975 -11.113 1.00 12.00 H new ATOM 0 HA2 GLY A 33 -10.665 -25.906 -8.837 1.00 11.35 H new ATOM 0 HA3 GLY A 33 -9.271 -26.953 -9.013 1.00 11.35 H new ATOM 519 N ASP A 34 -9.067 -23.645 -9.306 1.00 9.44 N ATOM 520 CA ASP A 34 -8.081 -22.611 -9.562 1.00 8.90 C ATOM 521 C ASP A 34 -8.768 -21.244 -9.591 1.00 8.23 C ATOM 522 O ASP A 34 -8.664 -20.500 -10.566 1.00 8.80 O ATOM 523 CB ASP A 34 -7.397 -22.916 -10.909 1.00 10.00 C ATOM 524 CG ASP A 34 -8.348 -23.035 -12.100 1.00 11.14 C ATOM 525 OD1 ASP A 34 -7.865 -22.764 -13.220 1.00 12.06 O ATOM 526 OD2 ASP A 34 -9.504 -23.480 -11.890 1.00 11.50 O ATOM 0 H ASP A 34 -10.020 -23.353 -9.523 1.00 9.44 H new ATOM 0 HA ASP A 34 -7.328 -22.592 -8.774 1.00 8.90 H new ATOM 0 HB2 ASP A 34 -6.672 -22.129 -11.118 1.00 10.00 H new ATOM 0 HB3 ASP A 34 -6.838 -23.847 -10.814 1.00 10.00 H new ATOM 531 N ILE A 35 -9.471 -20.896 -8.512 1.00 7.41 N ATOM 532 CA ILE A 35 -10.019 -19.556 -8.359 1.00 6.87 C ATOM 533 C ILE A 35 -8.851 -18.587 -8.088 1.00 6.07 C ATOM 534 O ILE A 35 -7.725 -19.025 -7.847 1.00 6.51 O ATOM 535 CB ILE A 35 -11.132 -19.566 -7.288 1.00 6.86 C ATOM 536 CG1 ILE A 35 -12.150 -20.708 -7.498 1.00 8.33 C ATOM 537 CG2 ILE A 35 -11.876 -18.227 -7.206 1.00 6.85 C ATOM 538 CD1 ILE A 35 -12.852 -20.684 -8.859 1.00 9.82 C ATOM 0 H ILE A 35 -9.672 -21.525 -7.735 1.00 7.41 H new ATOM 0 HA ILE A 35 -10.510 -19.202 -9.266 1.00 6.87 H new ATOM 0 HB ILE A 35 -10.616 -19.736 -6.343 1.00 6.86 H new ATOM 0 HG12 ILE A 35 -11.636 -21.663 -7.384 1.00 8.33 H new ATOM 0 HG13 ILE A 35 -12.904 -20.656 -6.712 1.00 8.33 H new ATOM 0 HG21 ILE A 35 -12.648 -18.286 -6.439 1.00 6.85 H new ATOM 0 HG22 ILE A 35 -11.172 -17.435 -6.952 1.00 6.85 H new ATOM 0 HG23 ILE A 35 -12.338 -18.008 -8.169 1.00 6.85 H new ATOM 0 HD11 ILE A 35 -13.549 -21.519 -8.923 1.00 9.82 H new ATOM 0 HD12 ILE A 35 -13.397 -19.747 -8.971 1.00 9.82 H new ATOM 0 HD13 ILE A 35 -12.110 -20.769 -9.653 1.00 9.82 H new ATOM 550 N ALA A 36 -9.084 -17.276 -8.231 1.00 5.57 N ATOM 551 CA ALA A 36 -8.039 -16.266 -8.109 1.00 5.45 C ATOM 552 C ALA A 36 -8.581 -14.986 -7.464 1.00 4.24 C ATOM 553 O ALA A 36 -8.610 -13.930 -8.093 1.00 5.05 O ATOM 554 CB ALA A 36 -7.439 -16.000 -9.495 1.00 7.29 C ATOM 0 H ALA A 36 -10.006 -16.891 -8.435 1.00 5.57 H new ATOM 0 HA ALA A 36 -7.251 -16.633 -7.451 1.00 5.45 H new ATOM 0 HB1 ALA A 36 -6.656 -15.246 -9.414 1.00 7.29 H new ATOM 0 HB2 ALA A 36 -7.014 -16.923 -9.891 1.00 7.29 H new ATOM 0 HB3 ALA A 36 -8.219 -15.642 -10.167 1.00 7.29 H new ATOM 560 N GLY A 37 -9.008 -15.053 -6.204 1.00 2.93 N ATOM 561 CA GLY A 37 -9.462 -13.893 -5.447 1.00 1.92 C ATOM 562 C GLY A 37 -10.700 -13.265 -6.087 1.00 1.89 C ATOM 563 O GLY A 37 -10.681 -12.097 -6.488 1.00 2.35 O ATOM 0 H GLY A 37 -9.048 -15.925 -5.676 1.00 2.93 H new ATOM 0 HA2 GLY A 37 -9.690 -14.190 -4.423 1.00 1.92 H new ATOM 0 HA3 GLY A 37 -8.662 -13.154 -5.394 1.00 1.92 H new ATOM 567 N GLU A 38 -11.769 -14.063 -6.177 1.00 1.88 N ATOM 568 CA GLU A 38 -13.039 -13.744 -6.824 1.00 2.03 C ATOM 569 C GLU A 38 -13.439 -12.279 -6.670 1.00 1.47 C ATOM 570 O GLU A 38 -13.609 -11.572 -7.660 1.00 1.41 O ATOM 571 CB GLU A 38 -14.187 -14.660 -6.347 1.00 2.74 C ATOM 572 CG GLU A 38 -13.869 -15.680 -5.241 1.00 2.56 C ATOM 573 CD GLU A 38 -13.679 -15.108 -3.844 1.00 3.01 C ATOM 574 OE1 GLU A 38 -13.772 -15.900 -2.887 1.00 3.77 O ATOM 575 OE2 GLU A 38 -13.435 -13.888 -3.669 1.00 3.83 O ATOM 0 H GLU A 38 -11.768 -15.001 -5.777 1.00 1.88 H new ATOM 0 HA GLU A 38 -12.870 -13.928 -7.885 1.00 2.03 H new ATOM 0 HB2 GLU A 38 -15.000 -14.025 -5.995 1.00 2.74 H new ATOM 0 HB3 GLU A 38 -14.562 -15.208 -7.212 1.00 2.74 H new ATOM 0 HG2 GLU A 38 -14.676 -16.412 -5.206 1.00 2.56 H new ATOM 0 HG3 GLU A 38 -12.962 -16.217 -5.519 1.00 2.56 H new ATOM 582 N HIS A 39 -13.619 -11.824 -5.431 1.00 1.39 N ATOM 583 CA HIS A 39 -14.193 -10.518 -5.168 1.00 1.29 C ATOM 584 C HIS A 39 -13.275 -9.388 -5.617 1.00 1.10 C ATOM 585 O HIS A 39 -13.767 -8.296 -5.881 1.00 1.47 O ATOM 586 CB HIS A 39 -14.598 -10.403 -3.699 1.00 1.79 C ATOM 587 CG HIS A 39 -15.800 -11.263 -3.411 1.00 2.56 C ATOM 588 ND1 HIS A 39 -15.799 -12.629 -3.261 1.00 3.48 N ATOM 589 CD2 HIS A 39 -17.105 -10.860 -3.484 1.00 3.38 C ATOM 590 CE1 HIS A 39 -17.080 -13.033 -3.209 1.00 4.22 C ATOM 591 NE2 HIS A 39 -17.914 -11.988 -3.343 1.00 4.27 N ATOM 0 H HIS A 39 -13.372 -12.349 -4.592 1.00 1.39 H new ATOM 0 HA HIS A 39 -15.098 -10.415 -5.767 1.00 1.29 H new ATOM 0 HB2 HIS A 39 -13.767 -10.706 -3.062 1.00 1.79 H new ATOM 0 HB3 HIS A 39 -14.822 -9.364 -3.458 1.00 1.79 H new ATOM 0 HD1 HIS A 39 -14.976 -13.228 -3.200 1.00 3.48 H new ATOM 0 HD2 HIS A 39 -17.449 -9.846 -3.626 1.00 3.38 H new ATOM 0 HE1 HIS A 39 -17.396 -14.057 -3.078 1.00 4.22 H new ATOM 599 N THR A 40 -11.963 -9.625 -5.705 1.00 1.09 N ATOM 600 CA THR A 40 -11.079 -8.710 -6.406 1.00 1.10 C ATOM 601 C THR A 40 -11.253 -8.825 -7.917 1.00 1.04 C ATOM 602 O THR A 40 -11.497 -7.836 -8.600 1.00 1.31 O ATOM 603 CB THR A 40 -9.627 -8.915 -5.975 1.00 1.42 C ATOM 604 OG1 THR A 40 -9.572 -9.154 -4.589 1.00 2.26 O ATOM 605 CG2 THR A 40 -8.813 -7.668 -6.339 1.00 2.65 C ATOM 0 H THR A 40 -11.499 -10.438 -5.301 1.00 1.09 H new ATOM 0 HA THR A 40 -11.355 -7.692 -6.132 1.00 1.10 H new ATOM 0 HB THR A 40 -9.206 -9.778 -6.491 1.00 1.42 H new ATOM 0 HG1 THR A 40 -9.173 -10.034 -4.424 1.00 2.26 H new ATOM 0 HG21 THR A 40 -7.776 -7.808 -6.034 1.00 2.65 H new ATOM 0 HG22 THR A 40 -8.856 -7.507 -7.416 1.00 2.65 H new ATOM 0 HG23 THR A 40 -9.228 -6.800 -5.826 1.00 2.65 H new ATOM 613 N SER A 41 -11.106 -10.044 -8.443 1.00 1.01 N ATOM 614 CA SER A 41 -11.222 -10.308 -9.878 1.00 1.13 C ATOM 615 C SER A 41 -12.489 -9.697 -10.475 1.00 1.22 C ATOM 616 O SER A 41 -12.448 -9.206 -11.601 1.00 1.25 O ATOM 617 CB SER A 41 -11.130 -11.807 -10.190 1.00 1.54 C ATOM 618 OG SER A 41 -9.802 -12.129 -10.551 1.00 2.10 O ATOM 0 H SER A 41 -10.903 -10.874 -7.886 1.00 1.01 H new ATOM 0 HA SER A 41 -10.372 -9.819 -10.354 1.00 1.13 H new ATOM 0 HB2 SER A 41 -11.434 -12.390 -9.321 1.00 1.54 H new ATOM 0 HB3 SER A 41 -11.812 -12.064 -11.001 1.00 1.54 H new ATOM 0 HG SER A 41 -9.500 -11.524 -11.260 1.00 2.10 H new ATOM 624 N PHE A 42 -13.578 -9.699 -9.703 1.00 1.52 N ATOM 625 CA PHE A 42 -14.827 -8.995 -9.955 1.00 2.11 C ATOM 626 C PHE A 42 -14.604 -7.619 -10.590 1.00 2.19 C ATOM 627 O PHE A 42 -15.247 -7.275 -11.578 1.00 2.51 O ATOM 628 CB PHE A 42 -15.561 -8.841 -8.616 1.00 2.72 C ATOM 629 CG PHE A 42 -16.980 -8.337 -8.740 1.00 2.94 C ATOM 630 CD1 PHE A 42 -17.225 -6.970 -8.960 1.00 4.32 C ATOM 631 CD2 PHE A 42 -18.046 -9.255 -8.768 1.00 2.34 C ATOM 632 CE1 PHE A 42 -18.532 -6.523 -9.211 1.00 4.49 C ATOM 633 CE2 PHE A 42 -19.360 -8.798 -8.952 1.00 2.54 C ATOM 634 CZ PHE A 42 -19.605 -7.431 -9.174 1.00 3.35 C ATOM 0 H PHE A 42 -13.608 -10.227 -8.831 1.00 1.52 H new ATOM 0 HA PHE A 42 -15.418 -9.574 -10.665 1.00 2.11 H new ATOM 0 HB2 PHE A 42 -15.573 -9.806 -8.109 1.00 2.72 H new ATOM 0 HB3 PHE A 42 -14.998 -8.155 -7.983 1.00 2.72 H new ATOM 0 HD1 PHE A 42 -16.408 -6.264 -8.936 1.00 4.32 H new ATOM 0 HD2 PHE A 42 -17.853 -10.311 -8.648 1.00 2.34 H new ATOM 0 HE1 PHE A 42 -18.713 -5.482 -9.433 1.00 4.49 H new ATOM 0 HE2 PHE A 42 -20.183 -9.496 -8.923 1.00 2.54 H new ATOM 0 HZ PHE A 42 -20.616 -7.079 -9.316 1.00 3.35 H new ATOM 644 N ASP A 43 -13.694 -6.823 -10.017 1.00 2.15 N ATOM 645 CA ASP A 43 -13.394 -5.467 -10.459 1.00 2.68 C ATOM 646 C ASP A 43 -12.714 -5.421 -11.828 1.00 2.82 C ATOM 647 O ASP A 43 -12.505 -4.330 -12.356 1.00 4.03 O ATOM 648 CB ASP A 43 -12.594 -4.707 -9.400 1.00 2.70 C ATOM 649 CG ASP A 43 -13.455 -4.374 -8.196 1.00 2.52 C ATOM 650 OD1 ASP A 43 -14.416 -3.601 -8.394 1.00 2.82 O ATOM 651 OD2 ASP A 43 -13.152 -4.919 -7.115 1.00 3.47 O ATOM 0 H ASP A 43 -13.136 -7.116 -9.215 1.00 2.15 H new ATOM 0 HA ASP A 43 -14.351 -4.960 -10.585 1.00 2.68 H new ATOM 0 HB2 ASP A 43 -11.740 -5.307 -9.085 1.00 2.70 H new ATOM 0 HB3 ASP A 43 -12.196 -3.788 -9.831 1.00 2.70 H new ATOM 656 N LYS A 44 -12.367 -6.579 -12.393 1.00 1.81 N ATOM 657 CA LYS A 44 -11.754 -6.801 -13.689 1.00 1.93 C ATOM 658 C LYS A 44 -10.238 -6.750 -13.543 1.00 1.99 C ATOM 659 O LYS A 44 -9.549 -5.938 -14.158 1.00 2.45 O ATOM 660 CB LYS A 44 -12.357 -5.951 -14.820 1.00 2.24 C ATOM 661 CG LYS A 44 -13.833 -6.326 -15.072 1.00 2.39 C ATOM 662 CD LYS A 44 -14.927 -5.461 -14.425 1.00 2.37 C ATOM 663 CE LYS A 44 -14.846 -3.958 -14.746 1.00 3.09 C ATOM 664 NZ LYS A 44 -14.604 -3.172 -13.521 1.00 3.91 N ATOM 0 H LYS A 44 -12.525 -7.460 -11.905 1.00 1.81 H new ATOM 0 HA LYS A 44 -11.999 -7.806 -14.034 1.00 1.93 H new ATOM 0 HB2 LYS A 44 -12.286 -4.894 -14.562 1.00 2.24 H new ATOM 0 HB3 LYS A 44 -11.781 -6.095 -15.734 1.00 2.24 H new ATOM 0 HG2 LYS A 44 -13.998 -6.319 -16.149 1.00 2.39 H new ATOM 0 HG3 LYS A 44 -13.977 -7.352 -14.734 1.00 2.39 H new ATOM 0 HD2 LYS A 44 -15.900 -5.833 -14.746 1.00 2.37 H new ATOM 0 HD3 LYS A 44 -14.878 -5.589 -13.344 1.00 2.37 H new ATOM 0 HE2 LYS A 44 -14.045 -3.778 -15.463 1.00 3.09 H new ATOM 0 HE3 LYS A 44 -15.774 -3.631 -15.215 1.00 3.09 H new ATOM 0 HZ1 LYS A 44 -14.069 -2.313 -13.760 1.00 3.91 H new ATOM 0 HZ2 LYS A 44 -15.514 -2.905 -13.094 1.00 3.91 H new ATOM 0 HZ3 LYS A 44 -14.058 -3.743 -12.844 1.00 3.91 H new ATOM 678 N LEU A 45 -9.747 -7.681 -12.721 1.00 1.70 N ATOM 679 CA LEU A 45 -8.336 -7.973 -12.512 1.00 1.88 C ATOM 680 C LEU A 45 -8.114 -9.463 -12.835 1.00 1.75 C ATOM 681 O LEU A 45 -8.627 -10.298 -12.089 1.00 2.26 O ATOM 682 CB LEU A 45 -7.911 -7.642 -11.071 1.00 2.07 C ATOM 683 CG LEU A 45 -7.991 -6.136 -10.748 1.00 2.19 C ATOM 684 CD1 LEU A 45 -9.332 -5.758 -10.114 1.00 1.61 C ATOM 685 CD2 LEU A 45 -6.883 -5.749 -9.762 1.00 3.32 C ATOM 0 H LEU A 45 -10.355 -8.277 -12.159 1.00 1.70 H new ATOM 0 HA LEU A 45 -7.721 -7.355 -13.166 1.00 1.88 H new ATOM 0 HB2 LEU A 45 -8.546 -8.191 -10.376 1.00 2.07 H new ATOM 0 HB3 LEU A 45 -6.890 -7.988 -10.911 1.00 2.07 H new ATOM 0 HG LEU A 45 -7.878 -5.604 -11.693 1.00 2.19 H new ATOM 0 HD11 LEU A 45 -9.346 -4.689 -9.903 1.00 1.61 H new ATOM 0 HD12 LEU A 45 -10.141 -6.003 -10.802 1.00 1.61 H new ATOM 0 HD13 LEU A 45 -9.465 -6.313 -9.185 1.00 1.61 H new ATOM 0 HD21 LEU A 45 -6.949 -4.684 -9.541 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -7.001 -6.319 -8.840 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -5.911 -5.969 -10.203 1.00 3.32 H new ATOM 697 N PRO A 46 -7.435 -9.810 -13.945 1.00 1.49 N ATOM 698 CA PRO A 46 -7.390 -11.172 -14.484 1.00 1.61 C ATOM 699 C PRO A 46 -6.678 -12.226 -13.613 1.00 1.90 C ATOM 700 O PRO A 46 -6.518 -12.070 -12.405 1.00 2.05 O ATOM 701 CB PRO A 46 -6.813 -11.044 -15.907 1.00 1.96 C ATOM 702 CG PRO A 46 -6.212 -9.646 -15.997 1.00 2.03 C ATOM 703 CD PRO A 46 -6.957 -8.851 -14.931 1.00 1.72 C ATOM 0 HA PRO A 46 -8.399 -11.584 -14.496 1.00 1.61 H new ATOM 0 HB2 PRO A 46 -6.055 -11.806 -16.090 1.00 1.96 H new ATOM 0 HB3 PRO A 46 -7.592 -11.182 -16.657 1.00 1.96 H new ATOM 0 HG2 PRO A 46 -5.139 -9.660 -15.806 1.00 2.03 H new ATOM 0 HG3 PRO A 46 -6.354 -9.214 -16.988 1.00 2.03 H new ATOM 0 HD2 PRO A 46 -6.299 -8.116 -14.467 1.00 1.72 H new ATOM 0 HD3 PRO A 46 -7.790 -8.302 -15.370 1.00 1.72 H new ATOM 711 N GLU A 47 -6.294 -13.339 -14.243 1.00 2.50 N ATOM 712 CA GLU A 47 -5.660 -14.504 -13.642 1.00 3.23 C ATOM 713 C GLU A 47 -4.322 -14.189 -12.962 1.00 3.13 C ATOM 714 O GLU A 47 -3.996 -14.778 -11.938 1.00 3.98 O ATOM 715 CB GLU A 47 -5.492 -15.560 -14.743 1.00 3.93 C ATOM 716 CG GLU A 47 -4.616 -15.081 -15.917 1.00 3.88 C ATOM 717 CD GLU A 47 -4.821 -15.958 -17.142 1.00 4.89 C ATOM 718 OE1 GLU A 47 -3.937 -16.803 -17.396 1.00 5.85 O ATOM 719 OE2 GLU A 47 -5.867 -15.757 -17.795 1.00 5.34 O ATOM 0 H GLU A 47 -6.428 -13.453 -15.248 1.00 2.50 H new ATOM 0 HA GLU A 47 -6.298 -14.875 -12.840 1.00 3.23 H new ATOM 0 HB2 GLU A 47 -5.050 -16.458 -14.311 1.00 3.93 H new ATOM 0 HB3 GLU A 47 -6.475 -15.839 -15.122 1.00 3.93 H new ATOM 0 HG2 GLU A 47 -4.861 -14.047 -16.160 1.00 3.88 H new ATOM 0 HG3 GLU A 47 -3.566 -15.099 -15.624 1.00 3.88 H new ATOM 726 N GLY A 48 -3.528 -13.284 -13.539 1.00 2.65 N ATOM 727 CA GLY A 48 -2.186 -12.970 -13.065 1.00 2.94 C ATOM 728 C GLY A 48 -1.737 -11.649 -13.674 1.00 1.74 C ATOM 729 O GLY A 48 -2.267 -11.254 -14.712 1.00 2.58 O ATOM 0 H GLY A 48 -3.806 -12.744 -14.358 1.00 2.65 H new ATOM 0 HA2 GLY A 48 -2.178 -12.904 -11.977 1.00 2.94 H new ATOM 0 HA3 GLY A 48 -1.494 -13.766 -13.342 1.00 2.94 H new ATOM 733 N GLY A 49 -0.794 -10.947 -13.032 1.00 1.46 N ATOM 734 CA GLY A 49 -0.292 -9.685 -13.555 1.00 1.59 C ATOM 735 C GLY A 49 0.370 -8.829 -12.488 1.00 1.28 C ATOM 736 O GLY A 49 1.141 -9.344 -11.690 1.00 1.88 O ATOM 0 H GLY A 49 -0.369 -11.237 -12.152 1.00 1.46 H new ATOM 0 HA2 GLY A 49 0.426 -9.886 -14.350 1.00 1.59 H new ATOM 0 HA3 GLY A 49 -1.116 -9.128 -14.002 1.00 1.59 H new ATOM 740 N ARG A 50 0.120 -7.520 -12.523 1.00 1.00 N ATOM 741 CA ARG A 50 0.436 -6.510 -11.521 1.00 1.18 C ATOM 742 C ARG A 50 -0.526 -5.360 -11.813 1.00 1.04 C ATOM 743 O ARG A 50 -0.874 -5.156 -12.976 1.00 1.23 O ATOM 744 CB ARG A 50 1.911 -6.067 -11.549 1.00 1.48 C ATOM 745 CG ARG A 50 2.607 -6.114 -12.922 1.00 1.71 C ATOM 746 CD ARG A 50 3.871 -6.988 -12.904 1.00 2.26 C ATOM 747 NE ARG A 50 3.625 -8.342 -12.364 1.00 3.31 N ATOM 748 CZ ARG A 50 4.449 -9.395 -12.487 1.00 4.15 C ATOM 749 NH1 ARG A 50 5.499 -9.339 -13.314 1.00 4.62 N ATOM 750 NH2 ARG A 50 4.222 -10.498 -11.775 1.00 5.18 N ATOM 0 H ARG A 50 -0.351 -7.106 -13.327 1.00 1.00 H new ATOM 0 HA ARG A 50 0.311 -6.901 -10.511 1.00 1.18 H new ATOM 0 HB2 ARG A 50 1.970 -5.047 -11.169 1.00 1.48 H new ATOM 0 HB3 ARG A 50 2.472 -6.697 -10.859 1.00 1.48 H new ATOM 0 HG2 ARG A 50 1.911 -6.500 -13.667 1.00 1.71 H new ATOM 0 HG3 ARG A 50 2.872 -5.102 -13.228 1.00 1.71 H new ATOM 0 HD2 ARG A 50 4.263 -7.072 -13.917 1.00 2.26 H new ATOM 0 HD3 ARG A 50 4.638 -6.497 -12.305 1.00 2.26 H new ATOM 0 HE ARG A 50 2.754 -8.489 -11.854 1.00 3.31 H new ATOM 0 HH11 ARG A 50 5.677 -8.493 -13.855 1.00 4.62 H new ATOM 0 HH12 ARG A 50 6.121 -10.142 -13.403 1.00 4.62 H new ATOM 0 HH21 ARG A 50 3.425 -10.540 -11.140 1.00 5.18 H new ATOM 0 HH22 ARG A 50 4.845 -11.300 -11.865 1.00 5.18 H new ATOM 764 N ALA A 51 -0.954 -4.606 -10.797 1.00 1.06 N ATOM 765 CA ALA A 51 -1.823 -3.454 -11.015 1.00 0.98 C ATOM 766 C ALA A 51 -0.991 -2.303 -11.577 1.00 0.64 C ATOM 767 O ALA A 51 0.215 -2.443 -11.746 1.00 1.02 O ATOM 768 CB ALA A 51 -2.489 -3.036 -9.705 1.00 1.40 C ATOM 0 H ALA A 51 -0.712 -4.774 -9.820 1.00 1.06 H new ATOM 0 HA ALA A 51 -2.606 -3.718 -11.725 1.00 0.98 H new ATOM 0 HB1 ALA A 51 -3.134 -2.176 -9.883 1.00 1.40 H new ATOM 0 HB2 ALA A 51 -3.085 -3.863 -9.320 1.00 1.40 H new ATOM 0 HB3 ALA A 51 -1.723 -2.771 -8.976 1.00 1.40 H new ATOM 774 N THR A 52 -1.630 -1.176 -11.902 1.00 0.62 N ATOM 775 CA THR A 52 -0.959 -0.058 -12.548 1.00 0.74 C ATOM 776 C THR A 52 -1.271 1.247 -11.809 1.00 1.02 C ATOM 777 O THR A 52 -1.691 2.223 -12.429 1.00 1.80 O ATOM 778 CB THR A 52 -1.412 -0.034 -14.024 1.00 1.20 C ATOM 779 OG1 THR A 52 -0.890 1.091 -14.699 1.00 1.72 O ATOM 780 CG2 THR A 52 -2.945 -0.051 -14.186 1.00 1.17 C ATOM 0 H THR A 52 -2.622 -1.019 -11.724 1.00 0.62 H new ATOM 0 HA THR A 52 0.125 -0.170 -12.515 1.00 0.74 H new ATOM 0 HB THR A 52 -1.018 -0.949 -14.467 1.00 1.20 H new ATOM 0 HG1 THR A 52 -0.990 1.886 -14.135 1.00 1.72 H new ATOM 0 HG21 THR A 52 -3.199 -0.033 -15.246 1.00 1.17 H new ATOM 0 HG22 THR A 52 -3.349 -0.956 -13.731 1.00 1.17 H new ATOM 0 HG23 THR A 52 -3.372 0.823 -13.695 1.00 1.17 H new ATOM 788 N TYR A 53 -1.002 1.286 -10.499 1.00 1.07 N ATOM 789 CA TYR A 53 -1.290 2.445 -9.661 1.00 1.53 C ATOM 790 C TYR A 53 -0.123 3.384 -9.351 1.00 1.35 C ATOM 791 O TYR A 53 1.035 2.978 -9.278 1.00 1.75 O ATOM 792 CB TYR A 53 -2.118 2.079 -8.431 1.00 2.14 C ATOM 793 CG TYR A 53 -1.582 1.025 -7.482 1.00 1.62 C ATOM 794 CD1 TYR A 53 -2.336 -0.147 -7.299 1.00 2.04 C ATOM 795 CD2 TYR A 53 -0.573 1.351 -6.555 1.00 2.89 C ATOM 796 CE1 TYR A 53 -2.146 -0.940 -6.157 1.00 2.48 C ATOM 797 CE2 TYR A 53 -0.329 0.506 -5.455 1.00 3.80 C ATOM 798 CZ TYR A 53 -1.132 -0.624 -5.239 1.00 3.28 C ATOM 799 OH TYR A 53 -0.963 -1.383 -4.121 1.00 4.44 O ATOM 0 H TYR A 53 -0.577 0.509 -9.993 1.00 1.07 H new ATOM 0 HA TYR A 53 -1.911 3.069 -10.305 1.00 1.53 H new ATOM 0 HB2 TYR A 53 -2.278 2.991 -7.856 1.00 2.14 H new ATOM 0 HB3 TYR A 53 -3.096 1.745 -8.778 1.00 2.14 H new ATOM 0 HD1 TYR A 53 -3.065 -0.439 -8.041 1.00 2.04 H new ATOM 0 HD2 TYR A 53 0.013 2.248 -6.688 1.00 2.89 H new ATOM 0 HE1 TYR A 53 -2.782 -1.796 -5.984 1.00 2.48 H new ATOM 0 HE2 TYR A 53 0.480 0.729 -4.775 1.00 3.80 H new ATOM 0 HH TYR A 53 -0.038 -1.705 -4.081 1.00 4.44 H new ATOM 809 N ARG A 54 -0.459 4.666 -9.185 1.00 1.18 N ATOM 810 CA ARG A 54 0.464 5.773 -8.977 1.00 1.08 C ATOM 811 C ARG A 54 -0.062 6.588 -7.799 1.00 0.98 C ATOM 812 O ARG A 54 -1.201 7.047 -7.845 1.00 1.11 O ATOM 813 CB ARG A 54 0.468 6.647 -10.238 1.00 1.31 C ATOM 814 CG ARG A 54 0.901 5.891 -11.504 1.00 1.40 C ATOM 815 CD ARG A 54 2.362 5.432 -11.455 1.00 1.81 C ATOM 816 NE ARG A 54 2.797 4.966 -12.782 1.00 2.55 N ATOM 817 CZ ARG A 54 3.996 4.428 -13.055 1.00 3.90 C ATOM 818 NH1 ARG A 54 4.862 4.197 -12.062 1.00 4.79 N ATOM 819 NH2 ARG A 54 4.322 4.124 -14.317 1.00 4.93 N ATOM 0 H ARG A 54 -1.433 4.970 -9.193 1.00 1.18 H new ATOM 0 HA ARG A 54 1.475 5.417 -8.777 1.00 1.08 H new ATOM 0 HB2 ARG A 54 -0.531 7.055 -10.391 1.00 1.31 H new ATOM 0 HB3 ARG A 54 1.137 7.493 -10.082 1.00 1.31 H new ATOM 0 HG2 ARG A 54 0.257 5.022 -11.640 1.00 1.40 H new ATOM 0 HG3 ARG A 54 0.757 6.534 -12.372 1.00 1.40 H new ATOM 0 HD2 ARG A 54 2.997 6.254 -11.125 1.00 1.81 H new ATOM 0 HD3 ARG A 54 2.474 4.630 -10.726 1.00 1.81 H new ATOM 0 HE ARG A 54 2.136 5.059 -13.553 1.00 2.55 H new ATOM 0 HH11 ARG A 54 4.610 4.430 -11.101 1.00 4.79 H new ATOM 0 HH12 ARG A 54 5.774 3.788 -12.266 1.00 4.79 H new ATOM 0 HH21 ARG A 54 3.659 4.301 -15.072 1.00 4.93 H new ATOM 0 HH22 ARG A 54 5.233 3.715 -14.524 1.00 4.93 H new ATOM 833 N GLY A 55 0.729 6.751 -6.737 1.00 0.95 N ATOM 834 CA GLY A 55 0.236 7.372 -5.521 1.00 0.90 C ATOM 835 C GLY A 55 1.356 7.705 -4.556 1.00 0.67 C ATOM 836 O GLY A 55 2.533 7.545 -4.882 1.00 0.65 O ATOM 0 H GLY A 55 1.706 6.462 -6.700 1.00 0.95 H new ATOM 0 HA2 GLY A 55 -0.307 8.283 -5.774 1.00 0.90 H new ATOM 0 HA3 GLY A 55 -0.474 6.703 -5.035 1.00 0.90 H new ATOM 840 N THR A 56 0.978 8.134 -3.352 1.00 0.70 N ATOM 841 CA THR A 56 1.903 8.426 -2.276 1.00 0.91 C ATOM 842 C THR A 56 1.344 7.925 -0.949 1.00 0.85 C ATOM 843 O THR A 56 0.126 7.812 -0.772 1.00 0.89 O ATOM 844 CB THR A 56 2.270 9.919 -2.265 1.00 1.43 C ATOM 845 OG1 THR A 56 3.261 10.135 -1.284 1.00 3.62 O ATOM 846 CG2 THR A 56 1.062 10.821 -1.997 1.00 2.27 C ATOM 0 H THR A 56 0.002 8.289 -3.101 1.00 0.70 H new ATOM 0 HA THR A 56 2.837 7.889 -2.440 1.00 0.91 H new ATOM 0 HB THR A 56 2.643 10.182 -3.255 1.00 1.43 H new ATOM 0 HG1 THR A 56 3.781 9.314 -1.157 1.00 3.62 H new ATOM 0 HG21 THR A 56 1.379 11.864 -2.000 1.00 2.27 H new ATOM 0 HG22 THR A 56 0.313 10.667 -2.774 1.00 2.27 H new ATOM 0 HG23 THR A 56 0.633 10.575 -1.026 1.00 2.27 H new ATOM 854 N ALA A 57 2.268 7.605 -0.043 1.00 0.90 N ATOM 855 CA ALA A 57 2.020 7.233 1.332 1.00 0.93 C ATOM 856 C ALA A 57 2.476 8.422 2.169 1.00 0.98 C ATOM 857 O ALA A 57 3.561 8.401 2.744 1.00 1.24 O ATOM 858 CB ALA A 57 2.813 5.960 1.634 1.00 0.93 C ATOM 0 H ALA A 57 3.262 7.601 -0.271 1.00 0.90 H new ATOM 0 HA ALA A 57 0.974 7.016 1.548 1.00 0.93 H new ATOM 0 HB1 ALA A 57 2.641 5.661 2.668 1.00 0.93 H new ATOM 0 HB2 ALA A 57 2.488 5.162 0.966 1.00 0.93 H new ATOM 0 HB3 ALA A 57 3.876 6.149 1.484 1.00 0.93 H new ATOM 864 N PHE A 58 1.663 9.479 2.189 1.00 0.86 N ATOM 865 CA PHE A 58 2.030 10.775 2.744 1.00 0.86 C ATOM 866 C PHE A 58 1.827 10.764 4.255 1.00 0.81 C ATOM 867 O PHE A 58 0.829 10.255 4.759 1.00 0.81 O ATOM 868 CB PHE A 58 1.266 11.899 2.033 1.00 0.97 C ATOM 869 CG PHE A 58 -0.217 11.979 2.343 1.00 1.06 C ATOM 870 CD1 PHE A 58 -1.156 11.254 1.584 1.00 2.15 C ATOM 871 CD2 PHE A 58 -0.657 12.774 3.418 1.00 1.86 C ATOM 872 CE1 PHE A 58 -2.524 11.327 1.898 1.00 2.34 C ATOM 873 CE2 PHE A 58 -2.022 12.833 3.742 1.00 1.88 C ATOM 874 CZ PHE A 58 -2.959 12.119 2.974 1.00 1.44 C ATOM 0 H PHE A 58 0.715 9.454 1.813 1.00 0.86 H new ATOM 0 HA PHE A 58 3.088 10.971 2.568 1.00 0.86 H new ATOM 0 HB2 PHE A 58 1.726 12.851 2.297 1.00 0.97 H new ATOM 0 HB3 PHE A 58 1.388 11.774 0.957 1.00 0.97 H new ATOM 0 HD1 PHE A 58 -0.824 10.641 0.759 1.00 2.15 H new ATOM 0 HD2 PHE A 58 0.058 13.341 3.996 1.00 1.86 H new ATOM 0 HE1 PHE A 58 -3.242 10.773 1.311 1.00 2.34 H new ATOM 0 HE2 PHE A 58 -2.352 13.427 4.581 1.00 1.88 H new ATOM 0 HZ PHE A 58 -4.011 12.179 3.211 1.00 1.44 H new ATOM 884 N GLY A 59 2.788 11.317 4.989 1.00 0.83 N ATOM 885 CA GLY A 59 2.736 11.358 6.437 1.00 0.84 C ATOM 886 C GLY A 59 1.788 12.459 6.890 1.00 0.89 C ATOM 887 O GLY A 59 1.544 13.409 6.151 1.00 0.94 O ATOM 0 H GLY A 59 3.623 11.748 4.591 1.00 0.83 H new ATOM 0 HA2 GLY A 59 2.402 10.396 6.825 1.00 0.84 H new ATOM 0 HA3 GLY A 59 3.733 11.536 6.841 1.00 0.84 H new ATOM 891 N SER A 60 1.328 12.406 8.142 1.00 0.99 N ATOM 892 CA SER A 60 0.766 13.591 8.786 1.00 1.09 C ATOM 893 C SER A 60 1.744 14.778 8.708 1.00 1.06 C ATOM 894 O SER A 60 1.306 15.925 8.701 1.00 1.23 O ATOM 895 CB SER A 60 0.397 13.275 10.238 1.00 1.23 C ATOM 896 OG SER A 60 -0.381 14.321 10.789 1.00 1.83 O ATOM 0 H SER A 60 1.334 11.567 8.722 1.00 0.99 H new ATOM 0 HA SER A 60 -0.141 13.878 8.254 1.00 1.09 H new ATOM 0 HB2 SER A 60 -0.158 12.338 10.283 1.00 1.23 H new ATOM 0 HB3 SER A 60 1.303 13.137 10.828 1.00 1.23 H new ATOM 0 HG SER A 60 -0.610 14.104 11.717 1.00 1.83 H new ATOM 902 N ASP A 61 3.052 14.493 8.673 1.00 0.97 N ATOM 903 CA ASP A 61 4.132 15.467 8.524 1.00 1.05 C ATOM 904 C ASP A 61 4.479 15.730 7.042 1.00 0.98 C ATOM 905 O ASP A 61 5.392 16.491 6.739 1.00 1.02 O ATOM 906 CB ASP A 61 5.341 14.884 9.273 1.00 1.18 C ATOM 907 CG ASP A 61 6.530 15.834 9.350 1.00 1.45 C ATOM 908 OD1 ASP A 61 7.629 15.399 8.940 1.00 2.16 O ATOM 909 OD2 ASP A 61 6.331 16.948 9.878 1.00 2.19 O ATOM 0 H ASP A 61 3.397 13.536 8.751 1.00 0.97 H new ATOM 0 HA ASP A 61 3.832 16.432 8.932 1.00 1.05 H new ATOM 0 HB2 ASP A 61 5.036 14.615 10.284 1.00 1.18 H new ATOM 0 HB3 ASP A 61 5.654 13.964 8.780 1.00 1.18 H new ATOM 914 N ASP A 62 3.799 15.042 6.115 1.00 0.96 N ATOM 915 CA ASP A 62 4.250 14.742 4.765 1.00 0.98 C ATOM 916 C ASP A 62 5.758 14.528 4.655 1.00 0.98 C ATOM 917 O ASP A 62 6.448 15.056 3.786 1.00 1.16 O ATOM 918 CB ASP A 62 3.655 15.655 3.691 1.00 1.22 C ATOM 919 CG ASP A 62 3.817 15.028 2.307 1.00 1.58 C ATOM 920 OD1 ASP A 62 4.024 13.793 2.256 1.00 2.37 O ATOM 921 OD2 ASP A 62 3.688 15.785 1.322 1.00 2.38 O ATOM 0 H ASP A 62 2.871 14.663 6.305 1.00 0.96 H new ATOM 0 HA ASP A 62 3.824 13.765 4.538 1.00 0.98 H new ATOM 0 HB2 ASP A 62 2.599 15.828 3.897 1.00 1.22 H new ATOM 0 HB3 ASP A 62 4.149 16.627 3.717 1.00 1.22 H new ATOM 926 N ALA A 63 6.245 13.655 5.534 1.00 0.90 N ATOM 927 CA ALA A 63 7.520 12.985 5.388 1.00 0.91 C ATOM 928 C ALA A 63 7.198 11.545 5.005 1.00 0.77 C ATOM 929 O ALA A 63 7.592 10.604 5.690 1.00 0.83 O ATOM 930 CB ALA A 63 8.251 13.077 6.725 1.00 1.06 C ATOM 0 H ALA A 63 5.747 13.393 6.385 1.00 0.90 H new ATOM 0 HA ALA A 63 8.163 13.427 4.627 1.00 0.91 H new ATOM 0 HB1 ALA A 63 9.218 12.580 6.646 1.00 1.06 H new ATOM 0 HB2 ALA A 63 8.402 14.125 6.986 1.00 1.06 H new ATOM 0 HB3 ALA A 63 7.656 12.593 7.499 1.00 1.06 H new ATOM 936 N GLY A 64 6.460 11.388 3.907 1.00 0.72 N ATOM 937 CA GLY A 64 5.908 10.120 3.480 1.00 0.70 C ATOM 938 C GLY A 64 6.115 9.962 1.980 1.00 0.78 C ATOM 939 O GLY A 64 5.649 10.777 1.189 1.00 1.95 O ATOM 0 H GLY A 64 6.229 12.160 3.282 1.00 0.72 H new ATOM 0 HA2 GLY A 64 6.391 9.302 4.014 1.00 0.70 H new ATOM 0 HA3 GLY A 64 4.846 10.074 3.719 1.00 0.70 H new ATOM 943 N GLY A 65 6.886 8.945 1.598 1.00 0.90 N ATOM 944 CA GLY A 65 7.330 8.731 0.241 1.00 1.04 C ATOM 945 C GLY A 65 6.258 8.094 -0.644 1.00 0.67 C ATOM 946 O GLY A 65 5.125 7.823 -0.247 1.00 1.01 O ATOM 0 H GLY A 65 7.222 8.235 2.248 1.00 0.90 H new ATOM 0 HA2 GLY A 65 7.631 9.685 -0.192 1.00 1.04 H new ATOM 0 HA3 GLY A 65 8.213 8.092 0.250 1.00 1.04 H new ATOM 950 N LYS A 66 6.653 7.903 -1.898 1.00 0.77 N ATOM 951 CA LYS A 66 5.784 7.570 -3.008 1.00 0.75 C ATOM 952 C LYS A 66 5.412 6.094 -2.984 1.00 0.73 C ATOM 953 O LYS A 66 6.244 5.267 -2.628 1.00 1.01 O ATOM 954 CB LYS A 66 6.556 7.802 -4.297 1.00 0.92 C ATOM 955 CG LYS A 66 7.229 9.168 -4.353 1.00 1.12 C ATOM 956 CD LYS A 66 7.878 9.314 -5.735 1.00 1.65 C ATOM 957 CE LYS A 66 8.878 8.199 -6.092 1.00 2.64 C ATOM 958 NZ LYS A 66 8.265 7.088 -6.852 1.00 4.19 N ATOM 0 H LYS A 66 7.632 7.981 -2.175 1.00 0.77 H new ATOM 0 HA LYS A 66 4.884 8.182 -2.939 1.00 0.75 H new ATOM 0 HB2 LYS A 66 7.314 7.026 -4.405 1.00 0.92 H new ATOM 0 HB3 LYS A 66 5.876 7.703 -5.143 1.00 0.92 H new ATOM 0 HG2 LYS A 66 6.499 9.961 -4.188 1.00 1.12 H new ATOM 0 HG3 LYS A 66 7.979 9.257 -3.567 1.00 1.12 H new ATOM 0 HD2 LYS A 66 7.093 9.336 -6.491 1.00 1.65 H new ATOM 0 HD3 LYS A 66 8.392 10.274 -5.781 1.00 1.65 H new ATOM 0 HE2 LYS A 66 9.693 8.625 -6.677 1.00 2.64 H new ATOM 0 HE3 LYS A 66 9.316 7.805 -5.175 1.00 2.64 H new ATOM 0 HZ1 LYS A 66 8.544 6.181 -6.427 1.00 4.19 H new ATOM 0 HZ2 LYS A 66 7.229 7.179 -6.825 1.00 4.19 H new ATOM 0 HZ3 LYS A 66 8.590 7.122 -7.839 1.00 4.19 H new ATOM 972 N LEU A 67 4.213 5.759 -3.453 1.00 0.66 N ATOM 973 CA LEU A 67 3.783 4.379 -3.586 1.00 0.66 C ATOM 974 C LEU A 67 4.217 3.834 -4.950 1.00 0.73 C ATOM 975 O LEU A 67 4.536 4.600 -5.862 1.00 1.62 O ATOM 976 CB LEU A 67 2.261 4.328 -3.401 1.00 0.70 C ATOM 977 CG LEU A 67 1.715 2.929 -3.072 1.00 0.78 C ATOM 978 CD1 LEU A 67 2.284 2.401 -1.746 1.00 0.97 C ATOM 979 CD2 LEU A 67 0.190 3.026 -2.995 1.00 1.01 C ATOM 0 H LEU A 67 3.515 6.441 -3.751 1.00 0.66 H new ATOM 0 HA LEU A 67 4.245 3.750 -2.826 1.00 0.66 H new ATOM 0 HB2 LEU A 67 1.980 5.013 -2.601 1.00 0.70 H new ATOM 0 HB3 LEU A 67 1.783 4.688 -4.312 1.00 0.70 H new ATOM 0 HG LEU A 67 2.017 2.228 -3.850 1.00 0.78 H new ATOM 0 HD11 LEU A 67 1.877 1.410 -1.544 1.00 0.97 H new ATOM 0 HD12 LEU A 67 3.370 2.340 -1.815 1.00 0.97 H new ATOM 0 HD13 LEU A 67 2.009 3.078 -0.937 1.00 0.97 H new ATOM 0 HD21 LEU A 67 -0.226 2.046 -2.762 1.00 1.01 H new ATOM 0 HD22 LEU A 67 -0.091 3.734 -2.215 1.00 1.01 H new ATOM 0 HD23 LEU A 67 -0.202 3.368 -3.953 1.00 1.01 H new ATOM 991 N THR A 68 4.219 2.507 -5.095 1.00 0.75 N ATOM 992 CA THR A 68 4.476 1.805 -6.341 1.00 0.88 C ATOM 993 C THR A 68 3.446 0.694 -6.505 1.00 1.03 C ATOM 994 O THR A 68 2.992 0.129 -5.516 1.00 1.21 O ATOM 995 CB THR A 68 5.913 1.264 -6.340 1.00 1.02 C ATOM 996 OG1 THR A 68 6.229 0.661 -5.098 1.00 2.24 O ATOM 997 CG2 THR A 68 6.903 2.401 -6.607 1.00 1.37 C ATOM 0 H THR A 68 4.034 1.875 -4.316 1.00 0.75 H new ATOM 0 HA THR A 68 4.382 2.482 -7.190 1.00 0.88 H new ATOM 0 HB THR A 68 5.987 0.514 -7.127 1.00 1.02 H new ATOM 0 HG1 THR A 68 6.581 1.340 -4.485 1.00 2.24 H new ATOM 0 HG21 THR A 68 7.919 2.007 -6.604 1.00 1.37 H new ATOM 0 HG22 THR A 68 6.690 2.848 -7.578 1.00 1.37 H new ATOM 0 HG23 THR A 68 6.806 3.158 -5.829 1.00 1.37 H new ATOM 1005 N TYR A 69 3.064 0.382 -7.745 1.00 1.06 N ATOM 1006 CA TYR A 69 2.092 -0.658 -7.998 1.00 1.13 C ATOM 1007 C TYR A 69 2.700 -2.045 -7.836 1.00 1.11 C ATOM 1008 O TYR A 69 3.722 -2.360 -8.440 1.00 1.17 O ATOM 1009 CB TYR A 69 1.507 -0.450 -9.393 1.00 1.25 C ATOM 1010 CG TYR A 69 2.448 -0.469 -10.594 1.00 1.27 C ATOM 1011 CD1 TYR A 69 2.901 -1.694 -11.124 1.00 2.56 C ATOM 1012 CD2 TYR A 69 2.676 0.716 -11.324 1.00 1.66 C ATOM 1013 CE1 TYR A 69 3.594 -1.733 -12.345 1.00 2.69 C ATOM 1014 CE2 TYR A 69 3.323 0.671 -12.571 1.00 1.77 C ATOM 1015 CZ TYR A 69 3.780 -0.555 -13.082 1.00 1.64 C ATOM 1016 OH TYR A 69 4.369 -0.615 -14.309 1.00 1.96 O ATOM 0 H TYR A 69 3.419 0.841 -8.584 1.00 1.06 H new ATOM 0 HA TYR A 69 1.291 -0.594 -7.262 1.00 1.13 H new ATOM 0 HB2 TYR A 69 0.752 -1.220 -9.553 1.00 1.25 H new ATOM 0 HB3 TYR A 69 0.989 0.509 -9.394 1.00 1.25 H new ATOM 0 HD1 TYR A 69 2.713 -2.611 -10.586 1.00 2.56 H new ATOM 0 HD2 TYR A 69 2.351 1.664 -10.922 1.00 1.66 H new ATOM 0 HE1 TYR A 69 3.983 -2.670 -12.716 1.00 2.69 H new ATOM 0 HE2 TYR A 69 3.469 1.579 -13.137 1.00 1.77 H new ATOM 0 HH TYR A 69 4.423 0.286 -14.690 1.00 1.96 H new ATOM 1026 N THR A 70 2.074 -2.872 -7.000 1.00 1.12 N ATOM 1027 CA THR A 70 2.284 -4.309 -6.930 1.00 1.21 C ATOM 1028 C THR A 70 1.023 -4.920 -6.307 1.00 1.23 C ATOM 1029 O THR A 70 0.849 -4.874 -5.092 1.00 1.32 O ATOM 1030 CB THR A 70 3.564 -4.601 -6.127 1.00 1.33 C ATOM 1031 OG1 THR A 70 4.720 -4.361 -6.905 1.00 1.57 O ATOM 1032 CG2 THR A 70 3.671 -6.050 -5.636 1.00 1.73 C ATOM 0 H THR A 70 1.381 -2.542 -6.329 1.00 1.12 H new ATOM 0 HA THR A 70 2.435 -4.756 -7.913 1.00 1.21 H new ATOM 0 HB THR A 70 3.500 -3.933 -5.268 1.00 1.33 H new ATOM 0 HG1 THR A 70 4.540 -3.640 -7.544 1.00 1.57 H new ATOM 0 HG21 THR A 70 4.599 -6.178 -5.079 1.00 1.73 H new ATOM 0 HG22 THR A 70 2.825 -6.278 -4.988 1.00 1.73 H new ATOM 0 HG23 THR A 70 3.666 -6.725 -6.492 1.00 1.73 H new ATOM 1040 N ILE A 71 0.121 -5.464 -7.128 1.00 1.22 N ATOM 1041 CA ILE A 71 -0.887 -6.422 -6.693 1.00 1.23 C ATOM 1042 C ILE A 71 -1.023 -7.388 -7.859 1.00 1.20 C ATOM 1043 O ILE A 71 -1.491 -6.979 -8.920 1.00 1.61 O ATOM 1044 CB ILE A 71 -2.238 -5.794 -6.252 1.00 1.32 C ATOM 1045 CG1 ILE A 71 -3.463 -6.198 -7.095 1.00 1.75 C ATOM 1046 CG2 ILE A 71 -2.218 -4.267 -6.111 1.00 1.40 C ATOM 1047 CD1 ILE A 71 -4.793 -5.804 -6.452 1.00 2.30 C ATOM 0 H ILE A 71 0.073 -5.246 -8.123 1.00 1.22 H new ATOM 0 HA ILE A 71 -0.574 -6.922 -5.776 1.00 1.23 H new ATOM 0 HB ILE A 71 -2.355 -6.235 -5.262 1.00 1.32 H new ATOM 0 HG12 ILE A 71 -3.390 -5.732 -8.077 1.00 1.75 H new ATOM 0 HG13 ILE A 71 -3.448 -7.277 -7.252 1.00 1.75 H new ATOM 0 HG21 ILE A 71 -3.202 -3.917 -5.800 1.00 1.40 H new ATOM 0 HG22 ILE A 71 -1.478 -3.980 -5.364 1.00 1.40 H new ATOM 0 HG23 ILE A 71 -1.959 -3.816 -7.069 1.00 1.40 H new ATOM 0 HD11 ILE A 71 -5.615 -6.117 -7.096 1.00 2.30 H new ATOM 0 HD12 ILE A 71 -4.886 -6.291 -5.481 1.00 2.30 H new ATOM 0 HD13 ILE A 71 -4.827 -4.723 -6.320 1.00 2.30 H new ATOM 1059 N ASP A 72 -0.569 -8.629 -7.695 1.00 0.78 N ATOM 1060 CA ASP A 72 -0.409 -9.535 -8.814 1.00 0.57 C ATOM 1061 C ASP A 72 -1.551 -10.536 -8.797 1.00 1.09 C ATOM 1062 O ASP A 72 -1.883 -11.131 -7.767 1.00 1.38 O ATOM 1063 CB ASP A 72 0.964 -10.202 -8.800 1.00 1.07 C ATOM 1064 CG ASP A 72 2.123 -9.217 -8.970 1.00 2.83 C ATOM 1065 OD1 ASP A 72 3.127 -9.647 -9.579 1.00 3.77 O ATOM 1066 OD2 ASP A 72 1.998 -8.052 -8.529 1.00 3.99 O ATOM 0 H ASP A 72 -0.307 -9.024 -6.792 1.00 0.78 H new ATOM 0 HA ASP A 72 -0.453 -8.979 -9.751 1.00 0.57 H new ATOM 0 HB2 ASP A 72 1.089 -10.739 -7.860 1.00 1.07 H new ATOM 0 HB3 ASP A 72 1.007 -10.943 -9.598 1.00 1.07 H new ATOM 1071 N PHE A 73 -2.217 -10.659 -9.941 1.00 1.47 N ATOM 1072 CA PHE A 73 -3.619 -11.032 -9.967 1.00 1.75 C ATOM 1073 C PHE A 73 -3.909 -12.505 -9.669 1.00 1.99 C ATOM 1074 O PHE A 73 -5.073 -12.891 -9.706 1.00 2.42 O ATOM 1075 CB PHE A 73 -4.278 -10.555 -11.260 1.00 1.66 C ATOM 1076 CG PHE A 73 -3.920 -9.168 -11.749 1.00 1.80 C ATOM 1077 CD1 PHE A 73 -3.877 -8.923 -13.132 1.00 2.92 C ATOM 1078 CD2 PHE A 73 -3.763 -8.099 -10.850 1.00 2.13 C ATOM 1079 CE1 PHE A 73 -3.671 -7.622 -13.617 1.00 3.06 C ATOM 1080 CE2 PHE A 73 -3.556 -6.798 -11.334 1.00 2.24 C ATOM 1081 CZ PHE A 73 -3.548 -6.553 -12.717 1.00 2.13 C ATOM 0 H PHE A 73 -1.804 -10.505 -10.861 1.00 1.47 H new ATOM 0 HA PHE A 73 -4.077 -10.511 -9.126 1.00 1.75 H new ATOM 0 HB2 PHE A 73 -4.029 -11.266 -12.048 1.00 1.66 H new ATOM 0 HB3 PHE A 73 -5.359 -10.596 -11.123 1.00 1.66 H new ATOM 0 HD1 PHE A 73 -4.003 -9.741 -13.826 1.00 2.92 H new ATOM 0 HD2 PHE A 73 -3.802 -8.279 -9.786 1.00 2.13 H new ATOM 0 HE1 PHE A 73 -3.607 -7.444 -14.680 1.00 3.06 H new ATOM 0 HE2 PHE A 73 -3.403 -5.984 -10.642 1.00 2.24 H new ATOM 0 HZ PHE A 73 -3.447 -5.543 -13.087 1.00 2.13 H new ATOM 1091 N ALA A 74 -2.907 -13.305 -9.297 1.00 1.93 N ATOM 1092 CA ALA A 74 -3.150 -14.641 -8.768 1.00 2.13 C ATOM 1093 C ALA A 74 -3.966 -14.532 -7.480 1.00 1.79 C ATOM 1094 O ALA A 74 -5.023 -15.142 -7.346 1.00 1.76 O ATOM 1095 CB ALA A 74 -1.815 -15.352 -8.528 1.00 2.31 C ATOM 0 H ALA A 74 -1.922 -13.047 -9.354 1.00 1.93 H new ATOM 0 HA ALA A 74 -3.719 -15.232 -9.486 1.00 2.13 H new ATOM 0 HB1 ALA A 74 -2.001 -16.351 -8.132 1.00 2.31 H new ATOM 0 HB2 ALA A 74 -1.270 -15.430 -9.469 1.00 2.31 H new ATOM 0 HB3 ALA A 74 -1.223 -14.782 -7.812 1.00 2.31 H new ATOM 1101 N ALA A 75 -3.476 -13.721 -6.539 1.00 1.58 N ATOM 1102 CA ALA A 75 -4.077 -13.555 -5.217 1.00 1.38 C ATOM 1103 C ALA A 75 -4.149 -12.085 -4.800 1.00 1.18 C ATOM 1104 O ALA A 75 -4.534 -11.786 -3.675 1.00 1.31 O ATOM 1105 CB ALA A 75 -3.270 -14.369 -4.202 1.00 1.40 C ATOM 0 H ALA A 75 -2.639 -13.154 -6.678 1.00 1.58 H new ATOM 0 HA ALA A 75 -5.104 -13.919 -5.253 1.00 1.38 H new ATOM 0 HB1 ALA A 75 -3.709 -14.253 -3.211 1.00 1.40 H new ATOM 0 HB2 ALA A 75 -3.286 -15.422 -4.485 1.00 1.40 H new ATOM 0 HB3 ALA A 75 -2.240 -14.013 -4.186 1.00 1.40 H new ATOM 1111 N LYS A 76 -3.747 -11.164 -5.686 1.00 1.08 N ATOM 1112 CA LYS A 76 -3.801 -9.735 -5.469 1.00 1.05 C ATOM 1113 C LYS A 76 -3.053 -9.266 -4.212 1.00 0.93 C ATOM 1114 O LYS A 76 -3.642 -8.755 -3.268 1.00 1.08 O ATOM 1115 CB LYS A 76 -5.254 -9.286 -5.564 1.00 1.23 C ATOM 1116 CG LYS A 76 -5.801 -9.378 -7.002 1.00 2.83 C ATOM 1117 CD LYS A 76 -6.366 -10.750 -7.408 1.00 4.85 C ATOM 1118 CE LYS A 76 -7.192 -10.602 -8.702 1.00 5.99 C ATOM 1119 NZ LYS A 76 -7.488 -11.892 -9.360 1.00 7.66 N ATOM 0 H LYS A 76 -3.365 -11.414 -6.598 1.00 1.08 H new ATOM 0 HA LYS A 76 -3.243 -9.230 -6.257 1.00 1.05 H new ATOM 0 HB2 LYS A 76 -5.866 -9.901 -4.905 1.00 1.23 H new ATOM 0 HB3 LYS A 76 -5.338 -8.258 -5.210 1.00 1.23 H new ATOM 0 HG2 LYS A 76 -6.586 -8.631 -7.122 1.00 2.83 H new ATOM 0 HG3 LYS A 76 -5.001 -9.114 -7.694 1.00 2.83 H new ATOM 0 HD2 LYS A 76 -5.553 -11.459 -7.562 1.00 4.85 H new ATOM 0 HD3 LYS A 76 -6.990 -11.149 -6.609 1.00 4.85 H new ATOM 0 HE2 LYS A 76 -8.130 -10.097 -8.470 1.00 5.99 H new ATOM 0 HE3 LYS A 76 -6.650 -9.963 -9.399 1.00 5.99 H new ATOM 0 HZ1 LYS A 76 -8.329 -11.789 -9.963 1.00 7.66 H new ATOM 0 HZ2 LYS A 76 -6.677 -12.178 -9.944 1.00 7.66 H new ATOM 0 HZ3 LYS A 76 -7.667 -12.618 -8.637 1.00 7.66 H new ATOM 1133 N GLN A 77 -1.720 -9.383 -4.233 1.00 0.85 N ATOM 1134 CA GLN A 77 -0.862 -9.153 -3.075 1.00 0.88 C ATOM 1135 C GLN A 77 -0.593 -7.657 -2.909 1.00 0.97 C ATOM 1136 O GLN A 77 0.547 -7.215 -3.015 1.00 1.57 O ATOM 1137 CB GLN A 77 0.474 -9.918 -3.159 1.00 1.05 C ATOM 1138 CG GLN A 77 0.409 -11.439 -3.338 1.00 1.47 C ATOM 1139 CD GLN A 77 0.194 -11.799 -4.802 1.00 1.28 C ATOM 1140 OE1 GLN A 77 -1.067 -11.896 -5.194 1.00 2.70 O flip ATOM 1141 NE2 GLN A 77 1.133 -11.913 -5.577 1.00 1.03 N flip ATOM 0 H GLN A 77 -1.203 -9.645 -5.072 1.00 0.85 H new ATOM 0 HA GLN A 77 -1.397 -9.535 -2.205 1.00 0.88 H new ATOM 0 HB2 GLN A 77 1.046 -9.506 -3.990 1.00 1.05 H new ATOM 0 HB3 GLN A 77 1.038 -9.710 -2.250 1.00 1.05 H new ATOM 0 HG2 GLN A 77 1.333 -11.892 -2.979 1.00 1.47 H new ATOM 0 HG3 GLN A 77 -0.402 -11.847 -2.735 1.00 1.47 H new ATOM 0 HE21 GLN A 77 2.090 -11.831 -5.234 1.00 1.03 H new ATOM 0 HE22 GLN A 77 0.959 -12.090 -6.566 1.00 1.03 H new ATOM 1150 N GLY A 78 -1.655 -6.879 -2.701 1.00 1.20 N ATOM 1151 CA GLY A 78 -1.616 -5.422 -2.653 1.00 1.42 C ATOM 1152 C GLY A 78 -0.455 -4.868 -1.828 1.00 1.23 C ATOM 1153 O GLY A 78 -0.368 -5.109 -0.624 1.00 1.80 O ATOM 0 H GLY A 78 -2.591 -7.258 -2.558 1.00 1.20 H new ATOM 0 HA2 GLY A 78 -1.546 -5.035 -3.670 1.00 1.42 H new ATOM 0 HA3 GLY A 78 -2.554 -5.055 -2.237 1.00 1.42 H new ATOM 1157 N ASN A 79 0.446 -4.116 -2.467 1.00 0.96 N ATOM 1158 CA ASN A 79 1.654 -3.618 -1.843 1.00 0.78 C ATOM 1159 C ASN A 79 2.260 -2.521 -2.704 1.00 1.11 C ATOM 1160 O ASN A 79 2.008 -2.468 -3.906 1.00 2.02 O ATOM 1161 CB ASN A 79 2.657 -4.770 -1.692 1.00 0.92 C ATOM 1162 CG ASN A 79 3.103 -4.959 -0.262 1.00 1.59 C ATOM 1163 OD1 ASN A 79 4.296 -4.879 0.013 1.00 3.14 O ATOM 1164 ND2 ASN A 79 2.150 -5.218 0.628 1.00 1.31 N ATOM 0 H ASN A 79 0.347 -3.838 -3.443 1.00 0.96 H new ATOM 0 HA ASN A 79 1.416 -3.210 -0.861 1.00 0.78 H new ATOM 0 HB2 ASN A 79 2.204 -5.693 -2.054 1.00 0.92 H new ATOM 0 HB3 ASN A 79 3.527 -4.575 -2.319 1.00 0.92 H new ATOM 0 HD21 ASN A 79 2.393 -5.364 1.608 1.00 1.31 H new ATOM 0 HD22 ASN A 79 1.176 -5.271 0.331 1.00 1.31 H new ATOM 1171 N GLY A 80 3.086 -1.675 -2.091 1.00 0.70 N ATOM 1172 CA GLY A 80 3.904 -0.722 -2.809 1.00 0.78 C ATOM 1173 C GLY A 80 5.098 -0.338 -1.955 1.00 0.66 C ATOM 1174 O GLY A 80 4.941 -0.046 -0.776 1.00 0.86 O ATOM 0 H GLY A 80 3.201 -1.638 -1.078 1.00 0.70 H new ATOM 0 HA2 GLY A 80 4.241 -1.153 -3.752 1.00 0.78 H new ATOM 0 HA3 GLY A 80 3.319 0.164 -3.055 1.00 0.78 H new ATOM 1178 N LYS A 81 6.290 -0.389 -2.542 1.00 0.70 N ATOM 1179 CA LYS A 81 7.538 -0.032 -1.885 1.00 0.76 C ATOM 1180 C LYS A 81 7.751 1.484 -2.009 1.00 0.87 C ATOM 1181 O LYS A 81 7.262 2.088 -2.969 1.00 1.03 O ATOM 1182 CB LYS A 81 8.689 -0.808 -2.539 1.00 1.12 C ATOM 1183 CG LYS A 81 8.667 -2.301 -2.180 1.00 2.23 C ATOM 1184 CD LYS A 81 7.628 -3.167 -2.917 1.00 3.66 C ATOM 1185 CE LYS A 81 6.492 -3.663 -2.000 1.00 5.68 C ATOM 1186 NZ LYS A 81 6.916 -4.722 -1.058 1.00 6.65 N ATOM 0 H LYS A 81 6.415 -0.687 -3.510 1.00 0.70 H new ATOM 0 HA LYS A 81 7.504 -0.292 -0.827 1.00 0.76 H new ATOM 0 HB2 LYS A 81 8.630 -0.697 -3.622 1.00 1.12 H new ATOM 0 HB3 LYS A 81 9.639 -0.376 -2.226 1.00 1.12 H new ATOM 0 HG2 LYS A 81 9.657 -2.714 -2.376 1.00 2.23 H new ATOM 0 HG3 LYS A 81 8.490 -2.392 -1.108 1.00 2.23 H new ATOM 0 HD2 LYS A 81 7.199 -2.590 -3.737 1.00 3.66 H new ATOM 0 HD3 LYS A 81 8.130 -4.027 -3.361 1.00 3.66 H new ATOM 0 HE2 LYS A 81 6.098 -2.819 -1.433 1.00 5.68 H new ATOM 0 HE3 LYS A 81 5.676 -4.041 -2.617 1.00 5.68 H new ATOM 0 HZ1 LYS A 81 6.215 -4.808 -0.295 1.00 6.65 H new ATOM 0 HZ2 LYS A 81 6.990 -5.628 -1.564 1.00 6.65 H new ATOM 0 HZ3 LYS A 81 7.841 -4.476 -0.652 1.00 6.65 H new ATOM 1200 N ILE A 82 8.455 2.092 -1.045 1.00 1.13 N ATOM 1201 CA ILE A 82 8.619 3.541 -0.913 1.00 1.29 C ATOM 1202 C ILE A 82 10.113 3.873 -0.773 1.00 1.23 C ATOM 1203 O ILE A 82 10.709 3.631 0.273 1.00 1.42 O ATOM 1204 CB ILE A 82 7.843 4.007 0.340 1.00 1.35 C ATOM 1205 CG1 ILE A 82 6.322 3.772 0.245 1.00 1.70 C ATOM 1206 CG2 ILE A 82 8.118 5.493 0.582 1.00 1.98 C ATOM 1207 CD1 ILE A 82 5.657 3.739 1.624 1.00 1.95 C ATOM 0 H ILE A 82 8.940 1.571 -0.314 1.00 1.13 H new ATOM 0 HA ILE A 82 8.231 4.053 -1.793 1.00 1.29 H new ATOM 0 HB ILE A 82 8.199 3.403 1.174 1.00 1.35 H new ATOM 0 HG12 ILE A 82 5.870 4.561 -0.356 1.00 1.70 H new ATOM 0 HG13 ILE A 82 6.133 2.831 -0.271 1.00 1.70 H new ATOM 0 HG21 ILE A 82 7.572 5.825 1.465 1.00 1.98 H new ATOM 0 HG22 ILE A 82 9.186 5.645 0.737 1.00 1.98 H new ATOM 0 HG23 ILE A 82 7.792 6.069 -0.284 1.00 1.98 H new ATOM 0 HD11 ILE A 82 4.586 3.571 1.508 1.00 1.95 H new ATOM 0 HD12 ILE A 82 6.088 2.932 2.217 1.00 1.95 H new ATOM 0 HD13 ILE A 82 5.822 4.690 2.130 1.00 1.95 H new ATOM 1219 N GLU A 83 10.715 4.482 -1.802 1.00 1.18 N ATOM 1220 CA GLU A 83 12.089 4.945 -1.778 1.00 1.13 C ATOM 1221 C GLU A 83 12.241 6.157 -2.705 1.00 1.47 C ATOM 1222 O GLU A 83 12.482 6.016 -3.901 1.00 2.14 O ATOM 1223 CB GLU A 83 13.026 3.795 -2.155 1.00 1.30 C ATOM 1224 CG GLU A 83 14.468 4.262 -1.976 1.00 1.48 C ATOM 1225 CD GLU A 83 15.434 3.087 -1.962 1.00 2.14 C ATOM 1226 OE1 GLU A 83 15.614 2.526 -0.860 1.00 3.34 O ATOM 1227 OE2 GLU A 83 15.955 2.769 -3.052 1.00 2.66 O ATOM 0 H GLU A 83 10.243 4.666 -2.687 1.00 1.18 H new ATOM 0 HA GLU A 83 12.362 5.269 -0.774 1.00 1.13 H new ATOM 0 HB2 GLU A 83 12.829 2.926 -1.527 1.00 1.30 H new ATOM 0 HB3 GLU A 83 12.853 3.489 -3.187 1.00 1.30 H new ATOM 0 HG2 GLU A 83 14.734 4.944 -2.783 1.00 1.48 H new ATOM 0 HG3 GLU A 83 14.558 4.820 -1.044 1.00 1.48 H new ATOM 1234 N HIS A 84 12.029 7.356 -2.157 1.00 1.36 N ATOM 1235 CA HIS A 84 12.364 8.626 -2.794 1.00 1.54 C ATOM 1236 C HIS A 84 12.451 9.677 -1.691 1.00 1.70 C ATOM 1237 O HIS A 84 11.488 10.406 -1.462 1.00 2.27 O ATOM 1238 CB HIS A 84 11.314 8.963 -3.855 1.00 1.94 C ATOM 1239 CG HIS A 84 11.421 10.348 -4.437 1.00 2.47 C ATOM 1240 ND1 HIS A 84 12.467 10.843 -5.184 1.00 3.39 N ATOM 1241 CD2 HIS A 84 10.474 11.331 -4.339 1.00 3.04 C ATOM 1242 CE1 HIS A 84 12.143 12.100 -5.538 1.00 4.38 C ATOM 1243 NE2 HIS A 84 10.935 12.437 -5.058 1.00 4.25 N ATOM 0 H HIS A 84 11.609 7.470 -1.235 1.00 1.36 H new ATOM 0 HA HIS A 84 13.321 8.583 -3.313 1.00 1.54 H new ATOM 0 HB2 HIS A 84 11.391 8.238 -4.665 1.00 1.94 H new ATOM 0 HB3 HIS A 84 10.324 8.845 -3.415 1.00 1.94 H new ATOM 0 HD2 HIS A 84 9.539 11.264 -3.803 1.00 3.04 H new ATOM 0 HE1 HIS A 84 12.770 12.751 -6.129 1.00 4.38 H new ATOM 0 HE2 HIS A 84 10.450 13.324 -5.192 1.00 4.25 H new ATOM 1251 N LEU A 85 13.543 9.669 -0.926 1.00 2.04 N ATOM 1252 CA LEU A 85 13.557 10.236 0.416 1.00 1.75 C ATOM 1253 C LEU A 85 14.868 10.950 0.719 1.00 2.06 C ATOM 1254 O LEU A 85 15.808 10.931 -0.071 1.00 2.95 O ATOM 1255 CB LEU A 85 13.282 9.104 1.417 1.00 1.84 C ATOM 1256 CG LEU A 85 11.787 8.825 1.546 1.00 1.56 C ATOM 1257 CD1 LEU A 85 11.556 7.370 1.941 1.00 1.89 C ATOM 1258 CD2 LEU A 85 11.097 9.800 2.510 1.00 1.64 C ATOM 0 H LEU A 85 14.435 9.271 -1.220 1.00 2.04 H new ATOM 0 HA LEU A 85 12.780 10.996 0.497 1.00 1.75 H new ATOM 0 HB2 LEU A 85 13.796 8.198 1.095 1.00 1.84 H new ATOM 0 HB3 LEU A 85 13.689 9.372 2.392 1.00 1.84 H new ATOM 0 HG LEU A 85 11.327 8.990 0.572 1.00 1.56 H new ATOM 0 HD11 LEU A 85 10.486 7.183 2.030 1.00 1.89 H new ATOM 0 HD12 LEU A 85 11.977 6.715 1.178 1.00 1.89 H new ATOM 0 HD13 LEU A 85 12.040 7.171 2.897 1.00 1.89 H new ATOM 0 HD21 LEU A 85 10.035 9.562 2.569 1.00 1.64 H new ATOM 0 HD22 LEU A 85 11.545 9.711 3.500 1.00 1.64 H new ATOM 0 HD23 LEU A 85 11.221 10.820 2.146 1.00 1.64 H new ATOM 1270 N LYS A 86 14.887 11.597 1.886 1.00 1.54 N ATOM 1271 CA LYS A 86 15.966 12.442 2.366 1.00 1.80 C ATOM 1272 C LYS A 86 16.944 11.648 3.235 1.00 1.75 C ATOM 1273 O LYS A 86 18.022 12.145 3.550 1.00 2.08 O ATOM 1274 CB LYS A 86 15.391 13.664 3.113 1.00 2.02 C ATOM 1275 CG LYS A 86 14.552 13.345 4.367 1.00 1.77 C ATOM 1276 CD LYS A 86 13.050 13.138 4.090 1.00 2.98 C ATOM 1277 CE LYS A 86 12.189 14.381 4.377 1.00 3.97 C ATOM 1278 NZ LYS A 86 11.959 14.608 5.822 1.00 4.10 N ATOM 0 H LYS A 86 14.112 11.539 2.547 1.00 1.54 H new ATOM 0 HA LYS A 86 16.532 12.809 1.510 1.00 1.80 H new ATOM 0 HB2 LYS A 86 16.218 14.310 3.406 1.00 2.02 H new ATOM 0 HB3 LYS A 86 14.772 14.233 2.419 1.00 2.02 H new ATOM 0 HG2 LYS A 86 14.950 12.446 4.837 1.00 1.77 H new ATOM 0 HG3 LYS A 86 14.669 14.158 5.084 1.00 1.77 H new ATOM 0 HD2 LYS A 86 12.919 12.849 3.047 1.00 2.98 H new ATOM 0 HD3 LYS A 86 12.689 12.309 4.698 1.00 2.98 H new ATOM 0 HE2 LYS A 86 12.675 15.258 3.950 1.00 3.97 H new ATOM 0 HE3 LYS A 86 11.228 14.273 3.875 1.00 3.97 H new ATOM 0 HZ1 LYS A 86 11.374 15.458 5.951 1.00 4.10 H new ATOM 0 HZ2 LYS A 86 11.470 13.786 6.229 1.00 4.10 H new ATOM 0 HZ3 LYS A 86 12.872 14.740 6.302 1.00 4.10 H new ATOM 1292 N SER A 87 16.557 10.444 3.669 1.00 1.56 N ATOM 1293 CA SER A 87 17.305 9.683 4.660 1.00 1.57 C ATOM 1294 C SER A 87 17.101 8.180 4.452 1.00 1.36 C ATOM 1295 O SER A 87 16.150 7.785 3.771 1.00 1.62 O ATOM 1296 CB SER A 87 16.838 10.115 6.060 1.00 1.74 C ATOM 1297 OG SER A 87 15.437 10.334 6.079 1.00 2.44 O ATOM 0 H SER A 87 15.714 9.974 3.339 1.00 1.56 H new ATOM 0 HA SER A 87 18.371 9.883 4.555 1.00 1.57 H new ATOM 0 HB2 SER A 87 17.100 9.348 6.788 1.00 1.74 H new ATOM 0 HB3 SER A 87 17.357 11.027 6.356 1.00 1.74 H new ATOM 0 HG SER A 87 15.161 10.606 6.979 1.00 2.44 H new ATOM 1303 N PRO A 88 17.978 7.343 5.038 1.00 1.20 N ATOM 1304 CA PRO A 88 17.726 5.920 5.218 1.00 1.33 C ATOM 1305 C PRO A 88 16.612 5.716 6.250 1.00 1.76 C ATOM 1306 O PRO A 88 16.112 6.693 6.804 1.00 3.53 O ATOM 1307 CB PRO A 88 19.060 5.334 5.690 1.00 1.75 C ATOM 1308 CG PRO A 88 19.676 6.493 6.472 1.00 1.88 C ATOM 1309 CD PRO A 88 19.237 7.716 5.670 1.00 1.46 C ATOM 0 HA PRO A 88 17.389 5.429 4.305 1.00 1.33 H new ATOM 0 HB2 PRO A 88 18.917 4.453 6.316 1.00 1.75 H new ATOM 0 HB3 PRO A 88 19.688 5.031 4.853 1.00 1.75 H new ATOM 0 HG2 PRO A 88 19.309 6.529 7.498 1.00 1.88 H new ATOM 0 HG3 PRO A 88 20.762 6.413 6.525 1.00 1.88 H new ATOM 0 HD2 PRO A 88 19.108 8.583 6.318 1.00 1.46 H new ATOM 0 HD3 PRO A 88 19.985 7.984 4.924 1.00 1.46 H new ATOM 1317 N GLU A 89 16.229 4.450 6.477 1.00 1.23 N ATOM 1318 CA GLU A 89 15.206 3.916 7.386 1.00 1.38 C ATOM 1319 C GLU A 89 13.786 4.340 7.005 1.00 1.33 C ATOM 1320 O GLU A 89 12.894 3.502 6.895 1.00 1.76 O ATOM 1321 CB GLU A 89 15.553 4.039 8.879 1.00 1.56 C ATOM 1322 CG GLU A 89 15.746 5.452 9.433 1.00 2.42 C ATOM 1323 CD GLU A 89 15.835 5.417 10.950 1.00 3.13 C ATOM 1324 OE1 GLU A 89 14.775 5.612 11.582 1.00 4.35 O ATOM 1325 OE2 GLU A 89 16.953 5.176 11.451 1.00 3.64 O ATOM 0 H GLU A 89 16.682 3.690 5.969 1.00 1.23 H new ATOM 0 HA GLU A 89 15.215 2.837 7.232 1.00 1.38 H new ATOM 0 HB2 GLU A 89 14.761 3.556 9.452 1.00 1.56 H new ATOM 0 HB3 GLU A 89 16.468 3.476 9.062 1.00 1.56 H new ATOM 0 HG2 GLU A 89 16.653 5.891 9.019 1.00 2.42 H new ATOM 0 HG3 GLU A 89 14.915 6.087 9.125 1.00 2.42 H new ATOM 1332 N LEU A 90 13.609 5.617 6.682 1.00 1.15 N ATOM 1333 CA LEU A 90 12.471 6.156 5.959 1.00 1.17 C ATOM 1334 C LEU A 90 12.142 5.346 4.698 1.00 0.96 C ATOM 1335 O LEU A 90 11.004 5.396 4.234 1.00 1.21 O ATOM 1336 CB LEU A 90 12.780 7.612 5.563 1.00 1.27 C ATOM 1337 CG LEU A 90 12.578 8.684 6.643 1.00 1.60 C ATOM 1338 CD1 LEU A 90 11.089 8.854 6.934 1.00 1.79 C ATOM 1339 CD2 LEU A 90 13.348 8.424 7.941 1.00 2.06 C ATOM 0 H LEU A 90 14.289 6.335 6.931 1.00 1.15 H new ATOM 0 HA LEU A 90 11.602 6.104 6.615 1.00 1.17 H new ATOM 0 HB2 LEU A 90 13.816 7.660 5.228 1.00 1.27 H new ATOM 0 HB3 LEU A 90 12.156 7.871 4.708 1.00 1.27 H new ATOM 0 HG LEU A 90 12.993 9.606 6.235 1.00 1.60 H new ATOM 0 HD11 LEU A 90 10.953 9.616 7.701 1.00 1.79 H new ATOM 0 HD12 LEU A 90 10.573 9.159 6.024 1.00 1.79 H new ATOM 0 HD13 LEU A 90 10.677 7.908 7.285 1.00 1.79 H new ATOM 0 HD21 LEU A 90 13.149 9.228 8.649 1.00 2.06 H new ATOM 0 HD22 LEU A 90 13.027 7.475 8.370 1.00 2.06 H new ATOM 0 HD23 LEU A 90 14.416 8.383 7.728 1.00 2.06 H new ATOM 1351 N ASN A 91 13.123 4.654 4.098 1.00 0.68 N ATOM 1352 CA ASN A 91 12.955 3.921 2.842 1.00 0.70 C ATOM 1353 C ASN A 91 12.119 2.669 3.109 1.00 0.75 C ATOM 1354 O ASN A 91 12.643 1.557 3.205 1.00 1.07 O ATOM 1355 CB ASN A 91 14.306 3.577 2.182 1.00 0.82 C ATOM 1356 CG ASN A 91 15.327 4.711 2.170 1.00 1.22 C ATOM 1357 OD1 ASN A 91 16.522 4.472 2.294 1.00 2.84 O ATOM 1358 ND2 ASN A 91 14.876 5.961 2.122 1.00 0.86 N ATOM 0 H ASN A 91 14.067 4.590 4.480 1.00 0.68 H new ATOM 0 HA ASN A 91 12.432 4.559 2.129 1.00 0.70 H new ATOM 0 HB2 ASN A 91 14.740 2.723 2.702 1.00 0.82 H new ATOM 0 HB3 ASN A 91 14.122 3.264 1.154 1.00 0.82 H new ATOM 0 HD21 ASN A 91 15.529 6.742 2.189 1.00 0.86 H new ATOM 0 HD22 ASN A 91 13.877 6.139 2.018 1.00 0.86 H new ATOM 1365 N VAL A 92 10.820 2.882 3.304 1.00 0.67 N ATOM 1366 CA VAL A 92 9.881 1.861 3.710 1.00 0.69 C ATOM 1367 C VAL A 92 9.679 0.837 2.597 1.00 0.66 C ATOM 1368 O VAL A 92 9.436 1.187 1.442 1.00 0.88 O ATOM 1369 CB VAL A 92 8.561 2.514 4.158 1.00 0.82 C ATOM 1370 CG1 VAL A 92 7.387 1.532 4.209 1.00 0.98 C ATOM 1371 CG2 VAL A 92 8.713 3.085 5.565 1.00 1.10 C ATOM 0 H VAL A 92 10.388 3.797 3.178 1.00 0.67 H new ATOM 0 HA VAL A 92 10.285 1.316 4.563 1.00 0.69 H new ATOM 0 HB VAL A 92 8.349 3.285 3.417 1.00 0.82 H new ATOM 0 HG11 VAL A 92 6.488 2.056 4.532 1.00 0.98 H new ATOM 0 HG12 VAL A 92 7.224 1.108 3.218 1.00 0.98 H new ATOM 0 HG13 VAL A 92 7.613 0.731 4.913 1.00 0.98 H new ATOM 0 HG21 VAL A 92 7.775 3.545 5.874 1.00 1.10 H new ATOM 0 HG22 VAL A 92 8.969 2.283 6.257 1.00 1.10 H new ATOM 0 HG23 VAL A 92 9.504 3.835 5.570 1.00 1.10 H new ATOM 1381 N ASP A 93 9.694 -0.437 2.983 1.00 0.53 N ATOM 1382 CA ASP A 93 9.148 -1.514 2.178 1.00 0.48 C ATOM 1383 C ASP A 93 7.948 -2.067 2.947 1.00 0.49 C ATOM 1384 O ASP A 93 7.787 -1.797 4.141 1.00 0.68 O ATOM 1385 CB ASP A 93 10.216 -2.592 1.949 1.00 0.50 C ATOM 1386 CG ASP A 93 9.940 -3.437 0.717 1.00 1.10 C ATOM 1387 OD1 ASP A 93 10.849 -3.576 -0.125 1.00 1.65 O ATOM 1388 OD2 ASP A 93 8.785 -3.895 0.587 1.00 2.32 O ATOM 0 H ASP A 93 10.089 -0.747 3.870 1.00 0.53 H new ATOM 0 HA ASP A 93 8.837 -1.165 1.193 1.00 0.48 H new ATOM 0 HB2 ASP A 93 11.191 -2.116 1.847 1.00 0.50 H new ATOM 0 HB3 ASP A 93 10.267 -3.239 2.825 1.00 0.50 H new ATOM 1393 N LEU A 94 7.101 -2.833 2.268 1.00 0.64 N ATOM 1394 CA LEU A 94 6.060 -3.618 2.917 1.00 0.94 C ATOM 1395 C LEU A 94 6.046 -5.085 2.490 1.00 0.92 C ATOM 1396 O LEU A 94 6.507 -5.451 1.410 1.00 1.00 O ATOM 1397 CB LEU A 94 4.667 -2.966 2.828 1.00 1.33 C ATOM 1398 CG LEU A 94 4.484 -1.796 1.847 1.00 1.05 C ATOM 1399 CD1 LEU A 94 3.008 -1.667 1.466 1.00 1.57 C ATOM 1400 CD2 LEU A 94 4.874 -0.457 2.478 1.00 1.78 C ATOM 0 H LEU A 94 7.118 -2.926 1.252 1.00 0.64 H new ATOM 0 HA LEU A 94 6.328 -3.621 3.974 1.00 0.94 H new ATOM 0 HB2 LEU A 94 3.950 -3.742 2.561 1.00 1.33 H new ATOM 0 HB3 LEU A 94 4.398 -2.613 3.824 1.00 1.33 H new ATOM 0 HG LEU A 94 5.119 -2.009 0.987 1.00 1.05 H new ATOM 0 HD11 LEU A 94 2.883 -0.837 0.771 1.00 1.57 H new ATOM 0 HD12 LEU A 94 2.672 -2.590 0.993 1.00 1.57 H new ATOM 0 HD13 LEU A 94 2.416 -1.482 2.362 1.00 1.57 H new ATOM 0 HD21 LEU A 94 4.730 0.343 1.752 1.00 1.78 H new ATOM 0 HD22 LEU A 94 4.249 -0.271 3.352 1.00 1.78 H new ATOM 0 HD23 LEU A 94 5.921 -0.488 2.780 1.00 1.78 H new ATOM 1412 N ALA A 95 5.492 -5.929 3.361 1.00 0.93 N ATOM 1413 CA ALA A 95 5.312 -7.345 3.116 1.00 0.93 C ATOM 1414 C ALA A 95 4.080 -7.537 2.233 1.00 0.79 C ATOM 1415 O ALA A 95 3.019 -6.980 2.515 1.00 0.96 O ATOM 1416 CB ALA A 95 5.145 -8.077 4.450 1.00 1.08 C ATOM 0 H ALA A 95 5.151 -5.632 4.275 1.00 0.93 H new ATOM 0 HA ALA A 95 6.183 -7.757 2.606 1.00 0.93 H new ATOM 0 HB1 ALA A 95 5.009 -9.143 4.266 1.00 1.08 H new ATOM 0 HB2 ALA A 95 6.034 -7.925 5.062 1.00 1.08 H new ATOM 0 HB3 ALA A 95 4.273 -7.685 4.973 1.00 1.08 H new ATOM 1422 N ALA A 96 4.227 -8.338 1.174 1.00 0.75 N ATOM 1423 CA ALA A 96 3.183 -8.622 0.205 1.00 0.78 C ATOM 1424 C ALA A 96 2.211 -9.634 0.815 1.00 0.83 C ATOM 1425 O ALA A 96 2.531 -10.816 0.925 1.00 1.57 O ATOM 1426 CB ALA A 96 3.848 -9.153 -1.070 1.00 1.19 C ATOM 0 H ALA A 96 5.104 -8.817 0.968 1.00 0.75 H new ATOM 0 HA ALA A 96 2.614 -7.729 -0.052 1.00 0.78 H new ATOM 0 HB1 ALA A 96 3.083 -9.374 -1.814 1.00 1.19 H new ATOM 0 HB2 ALA A 96 4.531 -8.401 -1.464 1.00 1.19 H new ATOM 0 HB3 ALA A 96 4.403 -10.062 -0.839 1.00 1.19 H new ATOM 1432 N ALA A 97 1.044 -9.150 1.251 1.00 0.58 N ATOM 1433 CA ALA A 97 0.044 -9.905 1.997 1.00 0.77 C ATOM 1434 C ALA A 97 -1.225 -10.067 1.165 1.00 0.81 C ATOM 1435 O ALA A 97 -1.404 -9.370 0.169 1.00 1.08 O ATOM 1436 CB ALA A 97 -0.267 -9.166 3.296 1.00 1.13 C ATOM 0 H ALA A 97 0.763 -8.183 1.085 1.00 0.58 H new ATOM 0 HA ALA A 97 0.431 -10.898 2.225 1.00 0.77 H new ATOM 0 HB1 ALA A 97 -1.014 -9.723 3.861 1.00 1.13 H new ATOM 0 HB2 ALA A 97 0.643 -9.074 3.889 1.00 1.13 H new ATOM 0 HB3 ALA A 97 -0.652 -8.172 3.066 1.00 1.13 H new ATOM 1442 N ASP A 98 -2.097 -10.992 1.573 1.00 0.88 N ATOM 1443 CA ASP A 98 -3.280 -11.372 0.818 1.00 1.01 C ATOM 1444 C ASP A 98 -4.448 -10.416 1.069 1.00 0.89 C ATOM 1445 O ASP A 98 -4.366 -9.511 1.904 1.00 1.11 O ATOM 1446 CB ASP A 98 -3.664 -12.821 1.158 1.00 1.35 C ATOM 1447 CG ASP A 98 -4.295 -12.973 2.534 1.00 2.79 C ATOM 1448 OD1 ASP A 98 -5.479 -12.603 2.698 1.00 3.89 O ATOM 1449 OD2 ASP A 98 -3.671 -13.608 3.414 1.00 3.88 O ATOM 0 H ASP A 98 -1.994 -11.502 2.450 1.00 0.88 H new ATOM 0 HA ASP A 98 -3.046 -11.306 -0.244 1.00 1.01 H new ATOM 0 HB2 ASP A 98 -4.360 -13.191 0.405 1.00 1.35 H new ATOM 0 HB3 ASP A 98 -2.773 -13.447 1.104 1.00 1.35 H new ATOM 1454 N ILE A 99 -5.540 -10.644 0.331 1.00 0.97 N ATOM 1455 CA ILE A 99 -6.824 -10.003 0.545 1.00 0.90 C ATOM 1456 C ILE A 99 -7.874 -11.089 0.802 1.00 1.18 C ATOM 1457 O ILE A 99 -7.867 -12.111 0.122 1.00 1.94 O ATOM 1458 CB ILE A 99 -7.170 -9.047 -0.627 1.00 0.91 C ATOM 1459 CG1 ILE A 99 -8.391 -9.393 -1.510 1.00 1.51 C ATOM 1460 CG2 ILE A 99 -5.981 -8.817 -1.571 1.00 1.23 C ATOM 1461 CD1 ILE A 99 -9.363 -8.225 -1.552 1.00 1.76 C ATOM 0 H ILE A 99 -5.546 -11.299 -0.451 1.00 0.97 H new ATOM 0 HA ILE A 99 -6.796 -9.362 1.426 1.00 0.90 H new ATOM 0 HB ILE A 99 -7.440 -8.151 -0.068 1.00 0.91 H new ATOM 0 HG12 ILE A 99 -8.060 -9.636 -2.520 1.00 1.51 H new ATOM 0 HG13 ILE A 99 -8.892 -10.278 -1.118 1.00 1.51 H new ATOM 0 HG21 ILE A 99 -6.278 -8.141 -2.373 1.00 1.23 H new ATOM 0 HG22 ILE A 99 -5.154 -8.378 -1.014 1.00 1.23 H new ATOM 0 HG23 ILE A 99 -5.666 -9.769 -1.998 1.00 1.23 H new ATOM 0 HD11 ILE A 99 -10.217 -8.485 -2.178 1.00 1.76 H new ATOM 0 HD12 ILE A 99 -9.707 -8.002 -0.542 1.00 1.76 H new ATOM 0 HD13 ILE A 99 -8.862 -7.350 -1.966 1.00 1.76 H new ATOM 1473 N LYS A 100 -8.791 -10.814 1.737 1.00 1.50 N ATOM 1474 CA LYS A 100 -10.086 -11.438 2.005 1.00 1.96 C ATOM 1475 C LYS A 100 -10.789 -10.721 3.178 1.00 2.52 C ATOM 1476 O LYS A 100 -11.148 -11.357 4.164 1.00 3.63 O ATOM 1477 CB LYS A 100 -9.944 -12.960 2.239 1.00 2.25 C ATOM 1478 CG LYS A 100 -10.882 -13.768 1.337 1.00 3.84 C ATOM 1479 CD LYS A 100 -10.410 -13.669 -0.120 1.00 5.00 C ATOM 1480 CE LYS A 100 -11.099 -14.699 -1.028 1.00 6.54 C ATOM 1481 NZ LYS A 100 -12.538 -14.437 -1.220 1.00 7.76 N ATOM 0 H LYS A 100 -8.619 -10.059 2.401 1.00 1.50 H new ATOM 0 HA LYS A 100 -10.718 -11.325 1.124 1.00 1.96 H new ATOM 0 HB2 LYS A 100 -8.913 -13.261 2.053 1.00 2.25 H new ATOM 0 HB3 LYS A 100 -10.159 -13.188 3.283 1.00 2.25 H new ATOM 0 HG2 LYS A 100 -10.898 -14.811 1.654 1.00 3.84 H new ATOM 0 HG3 LYS A 100 -11.901 -13.392 1.426 1.00 3.84 H new ATOM 0 HD2 LYS A 100 -10.609 -12.666 -0.497 1.00 5.00 H new ATOM 0 HD3 LYS A 100 -9.331 -13.817 -0.161 1.00 5.00 H new ATOM 0 HE2 LYS A 100 -10.605 -14.705 -2.000 1.00 6.54 H new ATOM 0 HE3 LYS A 100 -10.972 -15.693 -0.600 1.00 6.54 H new ATOM 0 HZ1 LYS A 100 -13.035 -15.335 -1.389 1.00 7.76 H new ATOM 0 HZ2 LYS A 100 -12.925 -13.982 -0.368 1.00 7.76 H new ATOM 0 HZ3 LYS A 100 -12.670 -13.809 -2.038 1.00 7.76 H new ATOM 1495 N PRO A 101 -11.005 -9.395 3.113 1.00 3.33 N ATOM 1496 CA PRO A 101 -11.652 -8.681 4.203 1.00 4.31 C ATOM 1497 C PRO A 101 -13.153 -8.962 4.227 1.00 3.04 C ATOM 1498 O PRO A 101 -13.734 -9.156 5.291 1.00 3.67 O ATOM 1499 CB PRO A 101 -11.387 -7.204 3.921 1.00 6.26 C ATOM 1500 CG PRO A 101 -11.318 -7.140 2.394 1.00 6.39 C ATOM 1501 CD PRO A 101 -10.685 -8.482 2.021 1.00 4.74 C ATOM 0 HA PRO A 101 -11.266 -8.991 5.174 1.00 4.31 H new ATOM 0 HB2 PRO A 101 -12.183 -6.571 4.314 1.00 6.26 H new ATOM 0 HB3 PRO A 101 -10.457 -6.868 4.379 1.00 6.26 H new ATOM 0 HG2 PRO A 101 -12.307 -7.023 1.950 1.00 6.39 H new ATOM 0 HG3 PRO A 101 -10.713 -6.300 2.052 1.00 6.39 H new ATOM 0 HD2 PRO A 101 -11.082 -8.851 1.075 1.00 4.74 H new ATOM 0 HD3 PRO A 101 -9.606 -8.384 1.898 1.00 4.74 H new ATOM 1509 N ASP A 102 -13.776 -8.919 3.047 1.00 2.05 N ATOM 1510 CA ASP A 102 -15.209 -8.882 2.846 1.00 1.99 C ATOM 1511 C ASP A 102 -15.453 -9.068 1.348 1.00 1.55 C ATOM 1512 O ASP A 102 -14.557 -8.809 0.542 1.00 2.76 O ATOM 1513 CB ASP A 102 -15.751 -7.527 3.319 1.00 3.42 C ATOM 1514 CG ASP A 102 -17.228 -7.351 3.004 1.00 5.03 C ATOM 1515 OD1 ASP A 102 -17.946 -8.372 2.962 1.00 6.00 O ATOM 1516 OD2 ASP A 102 -17.605 -6.183 2.766 1.00 5.84 O ATOM 0 H ASP A 102 -13.260 -8.909 2.167 1.00 2.05 H new ATOM 0 HA ASP A 102 -15.716 -9.664 3.412 1.00 1.99 H new ATOM 0 HB2 ASP A 102 -15.598 -7.433 4.394 1.00 3.42 H new ATOM 0 HB3 ASP A 102 -15.183 -6.726 2.845 1.00 3.42 H new ATOM 1521 N GLY A 103 -16.658 -9.481 0.962 1.00 2.15 N ATOM 1522 CA GLY A 103 -17.027 -9.702 -0.426 1.00 2.73 C ATOM 1523 C GLY A 103 -17.423 -8.394 -1.106 1.00 2.47 C ATOM 1524 O GLY A 103 -18.467 -8.313 -1.760 1.00 3.68 O ATOM 0 H GLY A 103 -17.414 -9.673 1.619 1.00 2.15 H new ATOM 0 HA2 GLY A 103 -16.191 -10.154 -0.960 1.00 2.73 H new ATOM 0 HA3 GLY A 103 -17.857 -10.407 -0.477 1.00 2.73 H new ATOM 1528 N LYS A 104 -16.575 -7.370 -0.975 1.00 1.66 N ATOM 1529 CA LYS A 104 -16.850 -6.012 -1.416 1.00 1.94 C ATOM 1530 C LYS A 104 -15.655 -5.479 -2.200 1.00 2.26 C ATOM 1531 O LYS A 104 -14.784 -4.850 -1.609 1.00 3.28 O ATOM 1532 CB LYS A 104 -17.223 -5.134 -0.208 1.00 1.97 C ATOM 1533 CG LYS A 104 -17.558 -3.696 -0.634 1.00 3.01 C ATOM 1534 CD LYS A 104 -18.245 -2.857 0.456 1.00 3.27 C ATOM 1535 CE LYS A 104 -17.374 -2.622 1.701 1.00 4.03 C ATOM 1536 NZ LYS A 104 -17.569 -3.658 2.736 1.00 4.40 N ATOM 0 H LYS A 104 -15.655 -7.472 -0.547 1.00 1.66 H new ATOM 0 HA LYS A 104 -17.707 -5.995 -2.090 1.00 1.94 H new ATOM 0 HB2 LYS A 104 -18.078 -5.569 0.308 1.00 1.97 H new ATOM 0 HB3 LYS A 104 -16.396 -5.120 0.501 1.00 1.97 H new ATOM 0 HG2 LYS A 104 -16.638 -3.195 -0.936 1.00 3.01 H new ATOM 0 HG3 LYS A 104 -18.204 -3.731 -1.511 1.00 3.01 H new ATOM 0 HD2 LYS A 104 -18.527 -1.892 0.035 1.00 3.27 H new ATOM 0 HD3 LYS A 104 -19.166 -3.355 0.758 1.00 3.27 H new ATOM 0 HE2 LYS A 104 -16.325 -2.601 1.407 1.00 4.03 H new ATOM 0 HE3 LYS A 104 -17.606 -1.644 2.123 1.00 4.03 H new ATOM 0 HZ1 LYS A 104 -16.717 -3.720 3.330 1.00 4.40 H new ATOM 0 HZ2 LYS A 104 -18.386 -3.407 3.328 1.00 4.40 H new ATOM 0 HZ3 LYS A 104 -17.741 -4.577 2.280 1.00 4.40 H new ATOM 1550 N ARG A 105 -15.649 -5.722 -3.518 1.00 2.10 N ATOM 1551 CA ARG A 105 -14.796 -5.087 -4.526 1.00 2.32 C ATOM 1552 C ARG A 105 -13.415 -4.690 -3.983 1.00 2.29 C ATOM 1553 O ARG A 105 -13.058 -3.515 -3.996 1.00 2.99 O ATOM 1554 CB ARG A 105 -15.517 -3.874 -5.154 1.00 2.36 C ATOM 1555 CG ARG A 105 -16.666 -4.211 -6.120 1.00 3.10 C ATOM 1556 CD ARG A 105 -17.923 -4.829 -5.485 1.00 3.22 C ATOM 1557 NE ARG A 105 -18.077 -6.246 -5.868 1.00 4.70 N ATOM 1558 CZ ARG A 105 -18.630 -7.227 -5.139 1.00 6.03 C ATOM 1559 NH1 ARG A 105 -19.150 -6.955 -3.940 1.00 6.46 N ATOM 1560 NH2 ARG A 105 -18.643 -8.476 -5.610 1.00 7.60 N ATOM 0 H ARG A 105 -16.279 -6.409 -3.932 1.00 2.10 H new ATOM 0 HA ARG A 105 -14.613 -5.832 -5.301 1.00 2.32 H new ATOM 0 HB2 ARG A 105 -15.912 -3.253 -4.350 1.00 2.36 H new ATOM 0 HB3 ARG A 105 -14.781 -3.273 -5.689 1.00 2.36 H new ATOM 0 HG2 ARG A 105 -16.957 -3.298 -6.639 1.00 3.10 H new ATOM 0 HG3 ARG A 105 -16.289 -4.900 -6.875 1.00 3.10 H new ATOM 0 HD2 ARG A 105 -17.862 -4.748 -4.400 1.00 3.22 H new ATOM 0 HD3 ARG A 105 -18.804 -4.268 -5.797 1.00 3.22 H new ATOM 0 HE ARG A 105 -17.724 -6.508 -6.788 1.00 4.70 H new ATOM 0 HH11 ARG A 105 -19.127 -6.002 -3.578 1.00 6.46 H new ATOM 0 HH12 ARG A 105 -19.571 -7.701 -3.385 1.00 6.46 H new ATOM 0 HH21 ARG A 105 -18.233 -8.682 -6.521 1.00 7.60 H new ATOM 0 HH22 ARG A 105 -19.063 -9.225 -5.059 1.00 7.60 H new ATOM 1574 N HIS A 106 -12.668 -5.669 -3.453 1.00 2.23 N ATOM 1575 CA HIS A 106 -11.348 -5.471 -2.854 1.00 2.27 C ATOM 1576 C HIS A 106 -11.285 -4.186 -2.008 1.00 2.22 C ATOM 1577 O HIS A 106 -10.443 -3.302 -2.188 1.00 3.46 O ATOM 1578 CB HIS A 106 -10.293 -5.680 -3.952 1.00 2.79 C ATOM 1579 CG HIS A 106 -8.882 -5.158 -3.758 1.00 4.00 C ATOM 1580 ND1 HIS A 106 -8.084 -4.675 -4.771 1.00 5.22 N ATOM 1581 CD2 HIS A 106 -8.184 -5.007 -2.588 1.00 4.86 C ATOM 1582 CE1 HIS A 106 -6.943 -4.232 -4.220 1.00 6.19 C ATOM 1583 NE2 HIS A 106 -6.954 -4.422 -2.896 1.00 6.02 N ATOM 0 H HIS A 106 -12.975 -6.641 -3.430 1.00 2.23 H new ATOM 0 HA HIS A 106 -11.116 -6.217 -2.093 1.00 2.27 H new ATOM 0 HB2 HIS A 106 -10.220 -6.753 -4.131 1.00 2.79 H new ATOM 0 HB3 HIS A 106 -10.682 -5.230 -4.865 1.00 2.79 H new ATOM 0 HD1 HIS A 106 -8.318 -4.657 -5.764 1.00 5.22 H new ATOM 0 HD2 HIS A 106 -8.525 -5.290 -1.603 1.00 4.86 H new ATOM 0 HE1 HIS A 106 -6.128 -3.784 -4.770 1.00 6.19 H new ATOM 1591 N ALA A 107 -12.194 -4.148 -1.028 1.00 1.37 N ATOM 1592 CA ALA A 107 -12.315 -3.125 -0.006 1.00 1.79 C ATOM 1593 C ALA A 107 -10.960 -2.748 0.589 1.00 1.47 C ATOM 1594 O ALA A 107 -10.678 -1.561 0.732 1.00 1.76 O ATOM 1595 CB ALA A 107 -13.261 -3.628 1.091 1.00 2.56 C ATOM 0 H ALA A 107 -12.901 -4.876 -0.929 1.00 1.37 H new ATOM 0 HA ALA A 107 -12.721 -2.224 -0.465 1.00 1.79 H new ATOM 0 HB1 ALA A 107 -13.359 -2.866 1.864 1.00 2.56 H new ATOM 0 HB2 ALA A 107 -14.240 -3.835 0.660 1.00 2.56 H new ATOM 0 HB3 ALA A 107 -12.857 -4.540 1.530 1.00 2.56 H new ATOM 1601 N VAL A 108 -10.148 -3.751 0.951 1.00 1.19 N ATOM 1602 CA VAL A 108 -8.806 -3.573 1.486 1.00 0.90 C ATOM 1603 C VAL A 108 -7.966 -4.842 1.288 1.00 0.96 C ATOM 1604 O VAL A 108 -8.510 -5.919 1.047 1.00 1.45 O ATOM 1605 CB VAL A 108 -8.827 -3.228 2.989 1.00 0.83 C ATOM 1606 CG1 VAL A 108 -9.420 -1.860 3.327 1.00 1.08 C ATOM 1607 CG2 VAL A 108 -9.523 -4.311 3.823 1.00 1.08 C ATOM 0 H VAL A 108 -10.421 -4.731 0.875 1.00 1.19 H new ATOM 0 HA VAL A 108 -8.361 -2.742 0.938 1.00 0.90 H new ATOM 0 HB VAL A 108 -7.771 -3.183 3.256 1.00 0.83 H new ATOM 0 HG11 VAL A 108 -9.392 -1.708 4.406 1.00 1.08 H new ATOM 0 HG12 VAL A 108 -8.839 -1.080 2.835 1.00 1.08 H new ATOM 0 HG13 VAL A 108 -10.453 -1.816 2.981 1.00 1.08 H new ATOM 0 HG21 VAL A 108 -9.513 -4.023 4.874 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -10.554 -4.422 3.487 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -8.997 -5.258 3.701 1.00 1.08 H new ATOM 1617 N ILE A 109 -6.652 -4.704 1.481 1.00 0.75 N ATOM 1618 CA ILE A 109 -5.689 -5.744 1.819 1.00 0.78 C ATOM 1619 C ILE A 109 -5.188 -5.489 3.246 1.00 0.81 C ATOM 1620 O ILE A 109 -5.593 -4.499 3.855 1.00 0.97 O ATOM 1621 CB ILE A 109 -4.566 -5.815 0.773 1.00 1.02 C ATOM 1622 CG1 ILE A 109 -3.545 -4.690 0.862 1.00 1.69 C ATOM 1623 CG2 ILE A 109 -5.131 -5.739 -0.641 1.00 2.51 C ATOM 1624 CD1 ILE A 109 -2.461 -4.926 1.897 1.00 2.96 C ATOM 0 H ILE A 109 -6.204 -3.791 1.398 1.00 0.75 H new ATOM 0 HA ILE A 109 -6.157 -6.728 1.798 1.00 0.78 H new ATOM 0 HB ILE A 109 -4.076 -6.765 0.987 1.00 1.02 H new ATOM 0 HG12 ILE A 109 -3.079 -4.557 -0.114 1.00 1.69 H new ATOM 0 HG13 ILE A 109 -4.063 -3.760 1.097 1.00 1.69 H new ATOM 0 HG21 ILE A 109 -4.315 -5.791 -1.362 1.00 2.51 H new ATOM 0 HG22 ILE A 109 -5.814 -6.572 -0.805 1.00 2.51 H new ATOM 0 HG23 ILE A 109 -5.668 -4.799 -0.768 1.00 2.51 H new ATOM 0 HD11 ILE A 109 -1.772 -4.082 1.901 1.00 2.96 H new ATOM 0 HD12 ILE A 109 -2.915 -5.029 2.883 1.00 2.96 H new ATOM 0 HD13 ILE A 109 -1.916 -5.838 1.652 1.00 2.96 H new ATOM 1636 N SER A 110 -4.330 -6.356 3.799 1.00 0.91 N ATOM 1637 CA SER A 110 -3.760 -6.164 5.136 1.00 0.98 C ATOM 1638 C SER A 110 -2.263 -6.499 5.147 1.00 0.94 C ATOM 1639 O SER A 110 -1.905 -7.627 5.482 1.00 1.17 O ATOM 1640 CB SER A 110 -4.543 -7.036 6.126 1.00 1.23 C ATOM 1641 OG SER A 110 -3.998 -6.947 7.428 1.00 1.90 O ATOM 0 H SER A 110 -4.013 -7.206 3.333 1.00 0.91 H new ATOM 0 HA SER A 110 -3.847 -5.118 5.432 1.00 0.98 H new ATOM 0 HB2 SER A 110 -5.587 -6.723 6.144 1.00 1.23 H new ATOM 0 HB3 SER A 110 -4.527 -8.074 5.792 1.00 1.23 H new ATOM 0 HG SER A 110 -4.517 -7.511 8.039 1.00 1.90 H new ATOM 1647 N GLY A 111 -1.389 -5.541 4.813 1.00 0.77 N ATOM 1648 CA GLY A 111 0.055 -5.748 4.791 1.00 0.76 C ATOM 1649 C GLY A 111 0.733 -5.203 6.050 1.00 0.64 C ATOM 1650 O GLY A 111 0.198 -4.317 6.715 1.00 0.72 O ATOM 0 H GLY A 111 -1.671 -4.597 4.550 1.00 0.77 H new ATOM 0 HA2 GLY A 111 0.267 -6.813 4.698 1.00 0.76 H new ATOM 0 HA3 GLY A 111 0.477 -5.261 3.912 1.00 0.76 H new ATOM 1654 N SER A 112 1.925 -5.727 6.359 1.00 0.71 N ATOM 1655 CA SER A 112 2.836 -5.186 7.367 1.00 0.64 C ATOM 1656 C SER A 112 3.874 -4.327 6.646 1.00 0.48 C ATOM 1657 O SER A 112 4.199 -4.637 5.499 1.00 0.62 O ATOM 1658 CB SER A 112 3.496 -6.330 8.142 1.00 0.87 C ATOM 1659 OG SER A 112 2.484 -7.137 8.717 1.00 1.36 O ATOM 0 H SER A 112 2.290 -6.562 5.901 1.00 0.71 H new ATOM 0 HA SER A 112 2.298 -4.573 8.090 1.00 0.64 H new ATOM 0 HB2 SER A 112 4.120 -6.926 7.476 1.00 0.87 H new ATOM 0 HB3 SER A 112 4.148 -5.932 8.919 1.00 0.87 H new ATOM 0 HG SER A 112 2.896 -7.874 9.214 1.00 1.36 H new ATOM 1665 N VAL A 113 4.365 -3.249 7.268 1.00 0.46 N ATOM 1666 CA VAL A 113 5.355 -2.363 6.660 1.00 0.49 C ATOM 1667 C VAL A 113 6.533 -2.179 7.600 1.00 0.65 C ATOM 1668 O VAL A 113 6.344 -2.232 8.817 1.00 0.80 O ATOM 1669 CB VAL A 113 4.754 -1.016 6.203 1.00 0.64 C ATOM 1670 CG1 VAL A 113 3.240 -1.077 5.971 1.00 0.74 C ATOM 1671 CG2 VAL A 113 5.033 0.148 7.155 1.00 0.89 C ATOM 0 H VAL A 113 4.085 -2.969 8.208 1.00 0.46 H new ATOM 0 HA VAL A 113 5.714 -2.840 5.748 1.00 0.49 H new ATOM 0 HB VAL A 113 5.266 -0.830 5.259 1.00 0.64 H new ATOM 0 HG11 VAL A 113 2.881 -0.099 5.652 1.00 0.74 H new ATOM 0 HG12 VAL A 113 3.020 -1.814 5.199 1.00 0.74 H new ATOM 0 HG13 VAL A 113 2.741 -1.362 6.897 1.00 0.74 H new ATOM 0 HG21 VAL A 113 4.577 1.057 6.762 1.00 0.89 H new ATOM 0 HG22 VAL A 113 4.611 -0.075 8.135 1.00 0.89 H new ATOM 0 HG23 VAL A 113 6.109 0.293 7.247 1.00 0.89 H new ATOM 1681 N LEU A 114 7.725 -1.924 7.045 1.00 0.79 N ATOM 1682 CA LEU A 114 8.910 -1.713 7.865 1.00 1.07 C ATOM 1683 C LEU A 114 9.716 -0.494 7.450 1.00 0.97 C ATOM 1684 O LEU A 114 9.878 -0.223 6.262 1.00 0.93 O ATOM 1685 CB LEU A 114 9.745 -3.002 7.976 1.00 1.34 C ATOM 1686 CG LEU A 114 10.773 -3.320 6.884 1.00 1.01 C ATOM 1687 CD1 LEU A 114 11.464 -4.642 7.237 1.00 1.37 C ATOM 1688 CD2 LEU A 114 10.164 -3.448 5.492 1.00 2.34 C ATOM 0 H LEU A 114 7.887 -1.861 6.040 1.00 0.79 H new ATOM 0 HA LEU A 114 8.568 -1.476 8.873 1.00 1.07 H new ATOM 0 HB2 LEU A 114 10.276 -2.969 8.927 1.00 1.34 H new ATOM 0 HB3 LEU A 114 9.050 -3.840 8.028 1.00 1.34 H new ATOM 0 HG LEU A 114 11.473 -2.485 6.850 1.00 1.01 H new ATOM 0 HD11 LEU A 114 12.200 -4.884 6.470 1.00 1.37 H new ATOM 0 HD12 LEU A 114 11.963 -4.545 8.201 1.00 1.37 H new ATOM 0 HD13 LEU A 114 10.721 -5.438 7.291 1.00 1.37 H new ATOM 0 HD21 LEU A 114 10.949 -3.673 4.771 1.00 2.34 H new ATOM 0 HD22 LEU A 114 9.428 -4.252 5.490 1.00 2.34 H new ATOM 0 HD23 LEU A 114 9.679 -2.511 5.219 1.00 2.34 H new ATOM 1700 N TYR A 115 10.265 0.216 8.444 1.00 1.10 N ATOM 1701 CA TYR A 115 11.190 1.320 8.236 1.00 1.21 C ATOM 1702 C TYR A 115 12.544 0.697 7.910 1.00 1.14 C ATOM 1703 O TYR A 115 13.456 0.656 8.742 1.00 1.28 O ATOM 1704 CB TYR A 115 11.210 2.249 9.467 1.00 1.59 C ATOM 1705 CG TYR A 115 10.451 3.545 9.273 1.00 2.28 C ATOM 1706 CD1 TYR A 115 9.127 3.512 8.803 1.00 3.60 C ATOM 1707 CD2 TYR A 115 11.078 4.784 9.508 1.00 2.85 C ATOM 1708 CE1 TYR A 115 8.468 4.706 8.466 1.00 4.98 C ATOM 1709 CE2 TYR A 115 10.393 5.977 9.222 1.00 3.97 C ATOM 1710 CZ TYR A 115 9.109 5.936 8.657 1.00 4.96 C ATOM 1711 OH TYR A 115 8.444 7.090 8.362 1.00 6.35 O ATOM 0 H TYR A 115 10.071 0.031 9.428 1.00 1.10 H new ATOM 0 HA TYR A 115 10.889 1.962 7.409 1.00 1.21 H new ATOM 0 HB2 TYR A 115 10.787 1.716 10.318 1.00 1.59 H new ATOM 0 HB3 TYR A 115 12.245 2.480 9.718 1.00 1.59 H new ATOM 0 HD1 TYR A 115 8.615 2.567 8.701 1.00 3.60 H new ATOM 0 HD2 TYR A 115 12.081 4.817 9.906 1.00 2.85 H new ATOM 0 HE1 TYR A 115 7.468 4.675 8.060 1.00 4.98 H new ATOM 0 HE2 TYR A 115 10.856 6.929 9.438 1.00 3.97 H new ATOM 0 HH TYR A 115 7.483 6.958 8.500 1.00 6.35 H new ATOM 1721 N ASN A 116 12.600 0.139 6.695 1.00 1.07 N ATOM 1722 CA ASN A 116 13.689 -0.571 6.035 1.00 1.24 C ATOM 1723 C ASN A 116 14.111 -1.851 6.765 1.00 1.11 C ATOM 1724 O ASN A 116 14.093 -2.928 6.179 1.00 1.30 O ATOM 1725 CB ASN A 116 14.848 0.377 5.718 1.00 1.68 C ATOM 1726 CG ASN A 116 15.631 -0.121 4.511 1.00 2.59 C ATOM 1727 OD1 ASN A 116 16.722 -0.663 4.653 1.00 3.04 O ATOM 1728 ND2 ASN A 116 15.082 0.074 3.316 1.00 3.63 N ATOM 0 H ASN A 116 11.784 0.183 6.084 1.00 1.07 H new ATOM 0 HA ASN A 116 13.310 -0.931 5.078 1.00 1.24 H new ATOM 0 HB2 ASN A 116 14.463 1.378 5.521 1.00 1.68 H new ATOM 0 HB3 ASN A 116 15.509 0.454 6.581 1.00 1.68 H new ATOM 0 HD21 ASN A 116 15.571 -0.231 2.474 1.00 3.63 H new ATOM 0 HD22 ASN A 116 14.172 0.529 3.241 1.00 3.63 H new ATOM 1735 N GLN A 117 14.428 -1.738 8.057 1.00 1.00 N ATOM 1736 CA GLN A 117 14.572 -2.833 9.004 1.00 1.07 C ATOM 1737 C GLN A 117 13.439 -2.850 10.047 1.00 1.22 C ATOM 1738 O GLN A 117 13.050 -3.916 10.518 1.00 1.72 O ATOM 1739 CB GLN A 117 15.951 -2.771 9.682 1.00 1.19 C ATOM 1740 CG GLN A 117 16.287 -1.454 10.404 1.00 1.85 C ATOM 1741 CD GLN A 117 16.924 -0.409 9.490 1.00 1.39 C ATOM 1742 OE1 GLN A 117 18.089 -0.534 9.130 1.00 2.07 O ATOM 1743 NE2 GLN A 117 16.198 0.642 9.116 1.00 1.85 N ATOM 0 H GLN A 117 14.599 -0.830 8.488 1.00 1.00 H new ATOM 0 HA GLN A 117 14.498 -3.767 8.446 1.00 1.07 H new ATOM 0 HB2 GLN A 117 16.016 -3.585 10.404 1.00 1.19 H new ATOM 0 HB3 GLN A 117 16.715 -2.953 8.926 1.00 1.19 H new ATOM 0 HG2 GLN A 117 15.375 -1.041 10.836 1.00 1.85 H new ATOM 0 HG3 GLN A 117 16.965 -1.664 11.232 1.00 1.85 H new ATOM 0 HE21 GLN A 117 15.230 0.729 9.425 1.00 1.85 H new ATOM 0 HE22 GLN A 117 16.610 1.360 8.520 1.00 1.85 H new ATOM 1752 N ALA A 118 12.935 -1.684 10.468 1.00 1.17 N ATOM 1753 CA ALA A 118 12.102 -1.604 11.667 1.00 1.40 C ATOM 1754 C ALA A 118 10.629 -1.876 11.354 1.00 1.12 C ATOM 1755 O ALA A 118 9.873 -0.956 11.037 1.00 1.44 O ATOM 1756 CB ALA A 118 12.305 -0.251 12.350 1.00 1.84 C ATOM 0 H ALA A 118 13.089 -0.792 9.999 1.00 1.17 H new ATOM 0 HA ALA A 118 12.414 -2.386 12.360 1.00 1.40 H new ATOM 0 HB1 ALA A 118 11.682 -0.197 13.243 1.00 1.84 H new ATOM 0 HB2 ALA A 118 13.352 -0.139 12.631 1.00 1.84 H new ATOM 0 HB3 ALA A 118 12.026 0.549 11.664 1.00 1.84 H new ATOM 1762 N GLU A 119 10.215 -3.143 11.447 1.00 0.95 N ATOM 1763 CA GLU A 119 8.850 -3.563 11.144 1.00 0.94 C ATOM 1764 C GLU A 119 7.914 -3.261 12.308 1.00 0.92 C ATOM 1765 O GLU A 119 7.511 -4.170 13.030 1.00 1.40 O ATOM 1766 CB GLU A 119 8.803 -5.031 10.686 1.00 1.39 C ATOM 1767 CG GLU A 119 7.432 -5.354 10.060 1.00 1.71 C ATOM 1768 CD GLU A 119 7.405 -6.672 9.299 1.00 2.61 C ATOM 1769 OE1 GLU A 119 8.220 -7.553 9.647 1.00 3.18 O ATOM 1770 OE2 GLU A 119 6.561 -6.767 8.382 1.00 3.48 O ATOM 0 H GLU A 119 10.824 -3.908 11.737 1.00 0.95 H new ATOM 0 HA GLU A 119 8.487 -2.976 10.300 1.00 0.94 H new ATOM 0 HB2 GLU A 119 9.595 -5.218 9.960 1.00 1.39 H new ATOM 0 HB3 GLU A 119 8.987 -5.690 11.535 1.00 1.39 H new ATOM 0 HG2 GLU A 119 6.680 -5.384 10.848 1.00 1.71 H new ATOM 0 HG3 GLU A 119 7.152 -4.547 9.383 1.00 1.71 H new ATOM 1777 N LYS A 120 7.550 -1.984 12.483 1.00 0.63 N ATOM 1778 CA LYS A 120 6.460 -1.561 13.354 1.00 0.63 C ATOM 1779 C LYS A 120 5.498 -0.656 12.605 1.00 0.66 C ATOM 1780 O LYS A 120 5.255 0.501 12.954 1.00 0.94 O ATOM 1781 CB LYS A 120 6.980 -0.957 14.659 1.00 0.89 C ATOM 1782 CG LYS A 120 7.672 -2.012 15.526 1.00 1.49 C ATOM 1783 CD LYS A 120 6.795 -3.209 15.880 1.00 1.79 C ATOM 1784 CE LYS A 120 5.610 -2.878 16.790 1.00 2.39 C ATOM 1785 NZ LYS A 120 4.912 -4.109 17.221 1.00 3.04 N ATOM 0 H LYS A 120 8.016 -1.208 12.013 1.00 0.63 H new ATOM 0 HA LYS A 120 5.890 -2.441 13.652 1.00 0.63 H new ATOM 0 HB2 LYS A 120 7.680 -0.152 14.436 1.00 0.89 H new ATOM 0 HB3 LYS A 120 6.152 -0.515 15.213 1.00 0.89 H new ATOM 0 HG2 LYS A 120 8.560 -2.369 15.004 1.00 1.49 H new ATOM 0 HG3 LYS A 120 8.013 -1.541 16.448 1.00 1.49 H new ATOM 0 HD2 LYS A 120 6.417 -3.652 14.959 1.00 1.79 H new ATOM 0 HD3 LYS A 120 7.412 -3.964 16.367 1.00 1.79 H new ATOM 0 HE2 LYS A 120 5.960 -2.329 17.664 1.00 2.39 H new ATOM 0 HE3 LYS A 120 4.913 -2.226 16.263 1.00 2.39 H new ATOM 0 HZ1 LYS A 120 4.113 -3.857 17.837 1.00 3.04 H new ATOM 0 HZ2 LYS A 120 4.559 -4.618 16.386 1.00 3.04 H new ATOM 0 HZ3 LYS A 120 5.573 -4.718 17.744 1.00 3.04 H new ATOM 1799 N GLY A 121 4.891 -1.261 11.595 1.00 0.56 N ATOM 1800 CA GLY A 121 3.758 -0.661 10.928 1.00 0.60 C ATOM 1801 C GLY A 121 2.890 -1.678 10.203 1.00 0.55 C ATOM 1802 O GLY A 121 3.331 -2.786 9.901 1.00 0.63 O ATOM 0 H GLY A 121 5.169 -2.169 11.223 1.00 0.56 H new ATOM 0 HA2 GLY A 121 3.151 -0.130 11.661 1.00 0.60 H new ATOM 0 HA3 GLY A 121 4.115 0.080 10.213 1.00 0.60 H new ATOM 1806 N SER A 122 1.656 -1.271 9.913 1.00 0.63 N ATOM 1807 CA SER A 122 0.687 -2.004 9.119 1.00 0.67 C ATOM 1808 C SER A 122 0.073 -1.061 8.086 1.00 0.63 C ATOM 1809 O SER A 122 0.122 0.159 8.250 1.00 0.70 O ATOM 1810 CB SER A 122 -0.367 -2.613 10.046 1.00 0.85 C ATOM 1811 OG SER A 122 -0.937 -1.611 10.870 1.00 1.05 O ATOM 0 H SER A 122 1.293 -0.377 10.244 1.00 0.63 H new ATOM 0 HA SER A 122 1.165 -2.822 8.581 1.00 0.67 H new ATOM 0 HB2 SER A 122 -1.146 -3.094 9.455 1.00 0.85 H new ATOM 0 HB3 SER A 122 0.087 -3.387 10.665 1.00 0.85 H new ATOM 0 HG SER A 122 -1.611 -2.014 11.457 1.00 1.05 H new ATOM 1817 N TYR A 123 -0.482 -1.617 7.009 1.00 0.68 N ATOM 1818 CA TYR A 123 -1.065 -0.849 5.921 1.00 0.74 C ATOM 1819 C TYR A 123 -2.277 -1.599 5.378 1.00 0.79 C ATOM 1820 O TYR A 123 -2.211 -2.803 5.123 1.00 1.10 O ATOM 1821 CB TYR A 123 0.011 -0.568 4.857 1.00 0.88 C ATOM 1822 CG TYR A 123 -0.363 -0.663 3.385 1.00 0.89 C ATOM 1823 CD1 TYR A 123 -0.319 -1.921 2.752 1.00 2.30 C ATOM 1824 CD2 TYR A 123 -0.401 0.502 2.595 1.00 2.09 C ATOM 1825 CE1 TYR A 123 -0.278 -2.012 1.350 1.00 2.55 C ATOM 1826 CE2 TYR A 123 -0.348 0.404 1.192 1.00 2.34 C ATOM 1827 CZ TYR A 123 -0.290 -0.849 0.570 1.00 1.77 C ATOM 1828 OH TYR A 123 -0.221 -0.926 -0.790 1.00 2.27 O ATOM 0 H TYR A 123 -0.537 -2.626 6.871 1.00 0.68 H new ATOM 0 HA TYR A 123 -1.419 0.122 6.268 1.00 0.74 H new ATOM 0 HB2 TYR A 123 0.395 0.437 5.035 1.00 0.88 H new ATOM 0 HB3 TYR A 123 0.835 -1.259 5.032 1.00 0.88 H new ATOM 0 HD1 TYR A 123 -0.317 -2.822 3.348 1.00 2.30 H new ATOM 0 HD2 TYR A 123 -0.471 1.471 3.066 1.00 2.09 H new ATOM 0 HE1 TYR A 123 -0.237 -2.980 0.874 1.00 2.55 H new ATOM 0 HE2 TYR A 123 -0.352 1.301 0.591 1.00 2.34 H new ATOM 0 HH TYR A 123 -0.242 -0.023 -1.170 1.00 2.27 H new ATOM 1838 N SER A 124 -3.381 -0.868 5.220 1.00 0.61 N ATOM 1839 CA SER A 124 -4.646 -1.358 4.717 1.00 0.68 C ATOM 1840 C SER A 124 -4.992 -0.493 3.513 1.00 0.59 C ATOM 1841 O SER A 124 -5.296 0.688 3.690 1.00 0.76 O ATOM 1842 CB SER A 124 -5.705 -1.246 5.819 1.00 0.83 C ATOM 1843 OG SER A 124 -5.726 0.069 6.345 1.00 1.56 O ATOM 0 H SER A 124 -3.410 0.125 5.452 1.00 0.61 H new ATOM 0 HA SER A 124 -4.599 -2.406 4.422 1.00 0.68 H new ATOM 0 HB2 SER A 124 -6.686 -1.501 5.418 1.00 0.83 H new ATOM 0 HB3 SER A 124 -5.490 -1.960 6.614 1.00 0.83 H new ATOM 0 HG SER A 124 -5.570 0.713 5.623 1.00 1.56 H new ATOM 1849 N LEU A 125 -4.895 -1.066 2.315 1.00 0.62 N ATOM 1850 CA LEU A 125 -5.073 -0.388 1.037 1.00 0.60 C ATOM 1851 C LEU A 125 -6.045 -1.204 0.204 1.00 0.68 C ATOM 1852 O LEU A 125 -6.002 -2.425 0.275 1.00 0.79 O ATOM 1853 CB LEU A 125 -3.690 -0.272 0.386 1.00 0.68 C ATOM 1854 CG LEU A 125 -3.600 0.122 -1.092 1.00 0.67 C ATOM 1855 CD1 LEU A 125 -3.806 -1.049 -2.058 1.00 0.73 C ATOM 1856 CD2 LEU A 125 -4.421 1.355 -1.454 1.00 0.76 C ATOM 0 H LEU A 125 -4.681 -2.057 2.206 1.00 0.62 H new ATOM 0 HA LEU A 125 -5.488 0.614 1.141 1.00 0.60 H new ATOM 0 HB2 LEU A 125 -3.117 0.458 0.957 1.00 0.68 H new ATOM 0 HB3 LEU A 125 -3.189 -1.233 0.502 1.00 0.68 H new ATOM 0 HG LEU A 125 -2.562 0.424 -1.229 1.00 0.67 H new ATOM 0 HD11 LEU A 125 -3.728 -0.692 -3.085 1.00 0.73 H new ATOM 0 HD12 LEU A 125 -3.044 -1.807 -1.879 1.00 0.73 H new ATOM 0 HD13 LEU A 125 -4.793 -1.483 -1.899 1.00 0.73 H new ATOM 0 HD21 LEU A 125 -4.306 1.570 -2.516 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -5.472 1.170 -1.233 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -4.073 2.208 -0.871 1.00 0.76 H new ATOM 1868 N GLY A 126 -6.918 -0.553 -0.562 1.00 0.70 N ATOM 1869 CA GLY A 126 -7.931 -1.221 -1.375 1.00 0.82 C ATOM 1870 C GLY A 126 -8.213 -0.448 -2.658 1.00 0.71 C ATOM 1871 O GLY A 126 -7.759 0.690 -2.819 1.00 1.11 O ATOM 0 H GLY A 126 -6.942 0.464 -0.636 1.00 0.70 H new ATOM 0 HA2 GLY A 126 -7.596 -2.228 -1.622 1.00 0.82 H new ATOM 0 HA3 GLY A 126 -8.852 -1.323 -0.800 1.00 0.82 H new ATOM 1875 N ILE A 127 -8.945 -1.086 -3.575 1.00 0.71 N ATOM 1876 CA ILE A 127 -9.215 -0.553 -4.914 1.00 0.80 C ATOM 1877 C ILE A 127 -10.496 0.265 -4.932 1.00 0.83 C ATOM 1878 O ILE A 127 -11.460 -0.115 -4.272 1.00 1.03 O ATOM 1879 CB ILE A 127 -9.265 -1.678 -5.968 1.00 1.28 C ATOM 1880 CG1 ILE A 127 -9.370 -1.148 -7.414 1.00 1.78 C ATOM 1881 CG2 ILE A 127 -10.385 -2.689 -5.692 1.00 1.67 C ATOM 1882 CD1 ILE A 127 -10.797 -1.085 -7.980 1.00 3.19 C ATOM 0 H ILE A 127 -9.372 -1.997 -3.407 1.00 0.71 H new ATOM 0 HA ILE A 127 -8.390 0.110 -5.174 1.00 0.80 H new ATOM 0 HB ILE A 127 -8.309 -2.194 -5.876 1.00 1.28 H new ATOM 0 HG12 ILE A 127 -8.936 -0.149 -7.451 1.00 1.78 H new ATOM 0 HG13 ILE A 127 -8.766 -1.782 -8.062 1.00 1.78 H new ATOM 0 HG21 ILE A 127 -10.377 -3.460 -6.462 1.00 1.67 H new ATOM 0 HG22 ILE A 127 -10.228 -3.149 -4.716 1.00 1.67 H new ATOM 0 HG23 ILE A 127 -11.347 -2.177 -5.701 1.00 1.67 H new ATOM 0 HD11 ILE A 127 -10.767 -0.700 -8.999 1.00 3.19 H new ATOM 0 HD12 ILE A 127 -11.232 -2.084 -7.982 1.00 3.19 H new ATOM 0 HD13 ILE A 127 -11.405 -0.425 -7.361 1.00 3.19 H new ATOM 1894 N PHE A 128 -10.532 1.344 -5.730 1.00 0.86 N ATOM 1895 CA PHE A 128 -11.766 2.079 -5.942 1.00 1.12 C ATOM 1896 C PHE A 128 -11.962 2.496 -7.395 1.00 1.56 C ATOM 1897 O PHE A 128 -11.075 2.363 -8.244 1.00 1.57 O ATOM 1898 CB PHE A 128 -11.862 3.258 -4.956 1.00 2.00 C ATOM 1899 CG PHE A 128 -11.782 2.841 -3.498 1.00 3.32 C ATOM 1900 CD1 PHE A 128 -10.532 2.786 -2.851 1.00 4.88 C ATOM 1901 CD2 PHE A 128 -12.913 2.285 -2.869 1.00 4.13 C ATOM 1902 CE1 PHE A 128 -10.403 2.125 -1.615 1.00 6.74 C ATOM 1903 CE2 PHE A 128 -12.784 1.635 -1.630 1.00 5.84 C ATOM 1904 CZ PHE A 128 -11.526 1.537 -1.011 1.00 7.06 C ATOM 0 H PHE A 128 -9.724 1.715 -6.230 1.00 0.86 H new ATOM 0 HA PHE A 128 -12.598 1.407 -5.731 1.00 1.12 H new ATOM 0 HB2 PHE A 128 -11.059 3.964 -5.168 1.00 2.00 H new ATOM 0 HB3 PHE A 128 -12.801 3.785 -5.123 1.00 2.00 H new ATOM 0 HD1 PHE A 128 -9.670 3.252 -3.305 1.00 4.88 H new ATOM 0 HD2 PHE A 128 -13.882 2.358 -3.340 1.00 4.13 H new ATOM 0 HE1 PHE A 128 -9.439 2.070 -1.131 1.00 6.74 H new ATOM 0 HE2 PHE A 128 -13.654 1.209 -1.152 1.00 5.84 H new ATOM 0 HZ PHE A 128 -11.423 1.011 -0.073 1.00 7.06 H new ATOM 1914 N GLY A 129 -13.199 2.893 -7.703 1.00 2.44 N ATOM 1915 CA GLY A 129 -13.622 3.274 -9.040 1.00 3.24 C ATOM 1916 C GLY A 129 -13.990 2.051 -9.881 1.00 2.31 C ATOM 1917 O GLY A 129 -14.905 2.114 -10.697 1.00 2.73 O ATOM 0 H GLY A 129 -13.945 2.958 -7.011 1.00 2.44 H new ATOM 0 HA2 GLY A 129 -14.480 3.943 -8.974 1.00 3.24 H new ATOM 0 HA3 GLY A 129 -12.822 3.828 -9.532 1.00 3.24 H new ATOM 1921 N GLY A 130 -13.284 0.930 -9.699 1.00 1.55 N ATOM 1922 CA GLY A 130 -13.621 -0.322 -10.361 1.00 1.62 C ATOM 1923 C GLY A 130 -12.950 -0.416 -11.729 1.00 1.64 C ATOM 1924 O GLY A 130 -13.465 -1.060 -12.644 1.00 2.36 O ATOM 0 H GLY A 130 -12.468 0.871 -9.090 1.00 1.55 H new ATOM 0 HA2 GLY A 130 -13.308 -1.161 -9.740 1.00 1.62 H new ATOM 0 HA3 GLY A 130 -14.702 -0.397 -10.477 1.00 1.62 H new ATOM 1928 N LYS A 131 -11.782 0.218 -11.859 1.00 1.56 N ATOM 1929 CA LYS A 131 -10.848 0.003 -12.957 1.00 1.58 C ATOM 1930 C LYS A 131 -9.399 -0.073 -12.443 1.00 1.22 C ATOM 1931 O LYS A 131 -8.480 -0.178 -13.256 1.00 1.42 O ATOM 1932 CB LYS A 131 -11.077 1.110 -14.010 1.00 2.20 C ATOM 1933 CG LYS A 131 -10.077 1.234 -15.171 1.00 1.98 C ATOM 1934 CD LYS A 131 -9.925 -0.038 -16.021 1.00 2.59 C ATOM 1935 CE LYS A 131 -8.528 -0.092 -16.657 1.00 4.39 C ATOM 1936 NZ LYS A 131 -7.500 -0.511 -15.677 1.00 5.85 N ATOM 0 H LYS A 131 -11.456 0.911 -11.185 1.00 1.56 H new ATOM 0 HA LYS A 131 -11.028 -0.959 -13.436 1.00 1.58 H new ATOM 0 HB2 LYS A 131 -12.067 0.959 -14.440 1.00 2.20 H new ATOM 0 HB3 LYS A 131 -11.098 2.066 -13.487 1.00 2.20 H new ATOM 0 HG2 LYS A 131 -10.391 2.053 -15.818 1.00 1.98 H new ATOM 0 HG3 LYS A 131 -9.102 1.504 -14.766 1.00 1.98 H new ATOM 0 HD2 LYS A 131 -10.083 -0.919 -15.400 1.00 2.59 H new ATOM 0 HD3 LYS A 131 -10.687 -0.056 -16.800 1.00 2.59 H new ATOM 0 HE2 LYS A 131 -8.536 -0.787 -17.497 1.00 4.39 H new ATOM 0 HE3 LYS A 131 -8.272 0.889 -17.058 1.00 4.39 H new ATOM 0 HZ1 LYS A 131 -6.795 0.246 -15.568 1.00 5.85 H new ATOM 0 HZ2 LYS A 131 -7.951 -0.698 -14.759 1.00 5.85 H new ATOM 0 HZ3 LYS A 131 -7.030 -1.375 -16.015 1.00 5.85 H new ATOM 1950 N ALA A 132 -9.165 -0.011 -11.121 1.00 1.06 N ATOM 1951 CA ALA A 132 -7.845 0.264 -10.570 1.00 1.01 C ATOM 1952 C ALA A 132 -7.388 1.602 -11.145 1.00 1.11 C ATOM 1953 O ALA A 132 -6.409 1.701 -11.883 1.00 1.47 O ATOM 1954 CB ALA A 132 -6.877 -0.901 -10.792 1.00 1.03 C ATOM 0 H ALA A 132 -9.888 -0.151 -10.415 1.00 1.06 H new ATOM 0 HA ALA A 132 -7.876 0.352 -9.484 1.00 1.01 H new ATOM 0 HB1 ALA A 132 -5.905 -0.653 -10.365 1.00 1.03 H new ATOM 0 HB2 ALA A 132 -7.268 -1.796 -10.308 1.00 1.03 H new ATOM 0 HB3 ALA A 132 -6.768 -1.085 -11.861 1.00 1.03 H new ATOM 1960 N GLN A 133 -8.184 2.620 -10.818 1.00 0.97 N ATOM 1961 CA GLN A 133 -8.077 3.991 -11.295 1.00 1.03 C ATOM 1962 C GLN A 133 -7.717 4.883 -10.111 1.00 0.92 C ATOM 1963 O GLN A 133 -6.804 5.696 -10.227 1.00 1.09 O ATOM 1964 CB GLN A 133 -9.363 4.421 -12.019 1.00 1.29 C ATOM 1965 CG GLN A 133 -10.633 4.332 -11.162 1.00 1.54 C ATOM 1966 CD GLN A 133 -11.880 4.655 -11.977 1.00 1.96 C ATOM 1967 OE1 GLN A 133 -12.668 3.640 -12.321 1.00 2.48 O flip ATOM 1968 NE2 GLN A 133 -12.150 5.810 -12.283 1.00 2.68 N flip ATOM 0 H GLN A 133 -8.966 2.498 -10.175 1.00 0.97 H new ATOM 0 HA GLN A 133 -7.285 4.082 -12.038 1.00 1.03 H new ATOM 0 HB2 GLN A 133 -9.244 5.448 -12.366 1.00 1.29 H new ATOM 0 HB3 GLN A 133 -9.492 3.799 -12.904 1.00 1.29 H new ATOM 0 HG2 GLN A 133 -10.721 3.330 -10.742 1.00 1.54 H new ATOM 0 HG3 GLN A 133 -10.556 5.023 -10.323 1.00 1.54 H new ATOM 0 HE21 GLN A 133 -11.528 6.570 -12.006 1.00 2.68 H new ATOM 0 HE22 GLN A 133 -12.997 6.012 -12.814 1.00 2.68 H new ATOM 1977 N GLU A 134 -8.375 4.653 -8.966 1.00 0.85 N ATOM 1978 CA GLU A 134 -7.897 5.061 -7.661 1.00 0.79 C ATOM 1979 C GLU A 134 -7.607 3.793 -6.851 1.00 0.82 C ATOM 1980 O GLU A 134 -8.342 2.808 -6.973 1.00 1.28 O ATOM 1981 CB GLU A 134 -8.943 5.932 -6.943 1.00 0.97 C ATOM 1982 CG GLU A 134 -9.571 7.037 -7.807 1.00 1.23 C ATOM 1983 CD GLU A 134 -10.387 8.004 -6.952 1.00 1.80 C ATOM 1984 OE1 GLU A 134 -10.098 9.224 -7.009 1.00 2.05 O ATOM 1985 OE2 GLU A 134 -11.278 7.502 -6.239 1.00 3.15 O ATOM 0 H GLU A 134 -9.271 4.167 -8.933 1.00 0.85 H new ATOM 0 HA GLU A 134 -6.992 5.660 -7.765 1.00 0.79 H new ATOM 0 HB2 GLU A 134 -9.738 5.286 -6.571 1.00 0.97 H new ATOM 0 HB3 GLU A 134 -8.475 6.393 -6.074 1.00 0.97 H new ATOM 0 HG2 GLU A 134 -8.787 7.583 -8.332 1.00 1.23 H new ATOM 0 HG3 GLU A 134 -10.211 6.589 -8.567 1.00 1.23 H new ATOM 1992 N VAL A 135 -6.572 3.823 -6.005 1.00 0.65 N ATOM 1993 CA VAL A 135 -6.496 2.938 -4.847 1.00 0.64 C ATOM 1994 C VAL A 135 -6.276 3.834 -3.628 1.00 0.75 C ATOM 1995 O VAL A 135 -5.609 4.865 -3.738 1.00 1.20 O ATOM 1996 CB VAL A 135 -5.462 1.795 -4.986 1.00 0.76 C ATOM 1997 CG1 VAL A 135 -5.678 0.943 -6.239 1.00 0.98 C ATOM 1998 CG2 VAL A 135 -3.986 2.196 -4.976 1.00 1.03 C ATOM 0 H VAL A 135 -5.776 4.453 -6.104 1.00 0.65 H new ATOM 0 HA VAL A 135 -7.427 2.382 -4.742 1.00 0.64 H new ATOM 0 HB VAL A 135 -5.659 1.234 -4.073 1.00 0.76 H new ATOM 0 HG11 VAL A 135 -4.922 0.159 -6.280 1.00 0.98 H new ATOM 0 HG12 VAL A 135 -6.669 0.490 -6.205 1.00 0.98 H new ATOM 0 HG13 VAL A 135 -5.597 1.572 -7.125 1.00 0.98 H new ATOM 0 HG21 VAL A 135 -3.366 1.305 -5.080 1.00 1.03 H new ATOM 0 HG22 VAL A 135 -3.788 2.875 -5.805 1.00 1.03 H new ATOM 0 HG23 VAL A 135 -3.751 2.694 -4.035 1.00 1.03 H new ATOM 2008 N ALA A 136 -6.884 3.489 -2.492 1.00 0.66 N ATOM 2009 CA ALA A 136 -6.863 4.330 -1.301 1.00 0.83 C ATOM 2010 C ALA A 136 -6.686 3.450 -0.073 1.00 0.67 C ATOM 2011 O ALA A 136 -7.118 2.294 -0.074 1.00 0.69 O ATOM 2012 CB ALA A 136 -8.140 5.170 -1.214 1.00 1.13 C ATOM 0 H ALA A 136 -7.404 2.619 -2.375 1.00 0.66 H new ATOM 0 HA ALA A 136 -6.025 5.025 -1.355 1.00 0.83 H new ATOM 0 HB1 ALA A 136 -8.107 5.791 -0.319 1.00 1.13 H new ATOM 0 HB2 ALA A 136 -8.217 5.807 -2.095 1.00 1.13 H new ATOM 0 HB3 ALA A 136 -9.007 4.511 -1.166 1.00 1.13 H new ATOM 2018 N GLY A 137 -5.972 3.962 0.929 1.00 0.63 N ATOM 2019 CA GLY A 137 -5.595 3.195 2.096 1.00 0.65 C ATOM 2020 C GLY A 137 -5.274 4.078 3.293 1.00 0.68 C ATOM 2021 O GLY A 137 -5.234 5.307 3.194 1.00 0.71 O ATOM 0 H GLY A 137 -5.641 4.927 0.946 1.00 0.63 H new ATOM 0 HA2 GLY A 137 -6.405 2.514 2.357 1.00 0.65 H new ATOM 0 HA3 GLY A 137 -4.727 2.580 1.858 1.00 0.65 H new ATOM 2025 N SER A 138 -4.959 3.411 4.399 1.00 0.74 N ATOM 2026 CA SER A 138 -4.353 4.008 5.573 1.00 0.89 C ATOM 2027 C SER A 138 -3.134 3.157 5.910 1.00 0.67 C ATOM 2028 O SER A 138 -3.213 1.932 5.793 1.00 0.68 O ATOM 2029 CB SER A 138 -5.353 3.987 6.733 1.00 1.25 C ATOM 2030 OG SER A 138 -6.521 4.702 6.379 1.00 1.91 O ATOM 0 H SER A 138 -5.126 2.410 4.501 1.00 0.74 H new ATOM 0 HA SER A 138 -4.067 5.045 5.395 1.00 0.89 H new ATOM 0 HB2 SER A 138 -5.609 2.958 6.984 1.00 1.25 H new ATOM 0 HB3 SER A 138 -4.901 4.429 7.621 1.00 1.25 H new ATOM 0 HG SER A 138 -7.156 4.682 7.126 1.00 1.91 H new ATOM 2036 N ALA A 139 -2.031 3.785 6.322 1.00 0.70 N ATOM 2037 CA ALA A 139 -0.917 3.089 6.941 1.00 0.59 C ATOM 2038 C ALA A 139 -0.672 3.630 8.345 1.00 0.59 C ATOM 2039 O ALA A 139 -0.646 4.843 8.559 1.00 0.68 O ATOM 2040 CB ALA A 139 0.337 3.173 6.075 1.00 0.70 C ATOM 0 H ALA A 139 -1.891 4.791 6.233 1.00 0.70 H new ATOM 0 HA ALA A 139 -1.173 2.033 7.027 1.00 0.59 H new ATOM 0 HB1 ALA A 139 1.154 2.643 6.565 1.00 0.70 H new ATOM 0 HB2 ALA A 139 0.140 2.718 5.104 1.00 0.70 H new ATOM 0 HB3 ALA A 139 0.614 4.218 5.937 1.00 0.70 H new ATOM 2046 N GLU A 140 -0.487 2.699 9.284 1.00 0.73 N ATOM 2047 CA GLU A 140 0.041 2.986 10.609 1.00 0.91 C ATOM 2048 C GLU A 140 1.521 2.612 10.580 1.00 0.79 C ATOM 2049 O GLU A 140 1.817 1.434 10.411 1.00 1.12 O ATOM 2050 CB GLU A 140 -0.706 2.201 11.704 1.00 1.28 C ATOM 2051 CG GLU A 140 -0.026 2.468 13.058 1.00 1.73 C ATOM 2052 CD GLU A 140 -0.807 1.974 14.265 1.00 2.03 C ATOM 2053 OE1 GLU A 140 -0.593 0.803 14.645 1.00 3.05 O ATOM 2054 OE2 GLU A 140 -1.475 2.812 14.908 1.00 2.50 O ATOM 0 H GLU A 140 -0.704 1.713 9.138 1.00 0.73 H new ATOM 0 HA GLU A 140 -0.094 4.040 10.851 1.00 0.91 H new ATOM 0 HB2 GLU A 140 -1.752 2.506 11.740 1.00 1.28 H new ATOM 0 HB3 GLU A 140 -0.693 1.135 11.479 1.00 1.28 H new ATOM 0 HG2 GLU A 140 0.955 1.993 13.057 1.00 1.73 H new ATOM 0 HG3 GLU A 140 0.139 3.540 13.162 1.00 1.73 H new ATOM 2061 N VAL A 141 2.448 3.563 10.743 1.00 0.76 N ATOM 2062 CA VAL A 141 3.879 3.253 10.764 1.00 0.73 C ATOM 2063 C VAL A 141 4.577 4.025 11.878 1.00 0.72 C ATOM 2064 O VAL A 141 4.952 5.181 11.696 1.00 1.15 O ATOM 2065 CB VAL A 141 4.535 3.519 9.400 1.00 0.89 C ATOM 2066 CG1 VAL A 141 5.838 2.715 9.314 1.00 1.52 C ATOM 2067 CG2 VAL A 141 3.621 3.163 8.220 1.00 2.10 C ATOM 0 H VAL A 141 2.231 4.553 10.862 1.00 0.76 H new ATOM 0 HA VAL A 141 3.990 2.188 10.969 1.00 0.73 H new ATOM 0 HB VAL A 141 4.734 4.588 9.328 1.00 0.89 H new ATOM 0 HG11 VAL A 141 6.314 2.895 8.350 1.00 1.52 H new ATOM 0 HG12 VAL A 141 6.510 3.025 10.114 1.00 1.52 H new ATOM 0 HG13 VAL A 141 5.617 1.653 9.417 1.00 1.52 H new ATOM 0 HG21 VAL A 141 4.138 3.372 7.283 1.00 2.10 H new ATOM 0 HG22 VAL A 141 3.365 2.104 8.265 1.00 2.10 H new ATOM 0 HG23 VAL A 141 2.710 3.759 8.273 1.00 2.10 H new ATOM 2077 N LYS A 142 4.750 3.398 13.045 1.00 0.80 N ATOM 2078 CA LYS A 142 5.336 4.071 14.193 1.00 0.81 C ATOM 2079 C LYS A 142 6.801 3.666 14.299 1.00 0.95 C ATOM 2080 O LYS A 142 7.133 2.481 14.273 1.00 1.30 O ATOM 2081 CB LYS A 142 4.528 3.761 15.460 1.00 0.92 C ATOM 2082 CG LYS A 142 4.745 2.329 15.968 1.00 1.06 C ATOM 2083 CD LYS A 142 3.542 1.807 16.768 1.00 1.39 C ATOM 2084 CE LYS A 142 2.408 1.384 15.815 1.00 2.59 C ATOM 2085 NZ LYS A 142 1.211 0.886 16.524 1.00 3.20 N ATOM 0 H LYS A 142 4.491 2.426 13.213 1.00 0.80 H new ATOM 0 HA LYS A 142 5.299 5.153 14.070 1.00 0.81 H new ATOM 0 HB2 LYS A 142 4.805 4.466 16.244 1.00 0.92 H new ATOM 0 HB3 LYS A 142 3.468 3.913 15.256 1.00 0.92 H new ATOM 0 HG2 LYS A 142 4.929 1.669 15.120 1.00 1.06 H new ATOM 0 HG3 LYS A 142 5.636 2.299 16.595 1.00 1.06 H new ATOM 0 HD2 LYS A 142 3.845 0.959 17.382 1.00 1.39 H new ATOM 0 HD3 LYS A 142 3.185 2.581 17.448 1.00 1.39 H new ATOM 0 HE2 LYS A 142 2.127 2.234 15.194 1.00 2.59 H new ATOM 0 HE3 LYS A 142 2.776 0.607 15.145 1.00 2.59 H new ATOM 0 HZ1 LYS A 142 0.569 0.431 15.844 1.00 3.20 H new ATOM 0 HZ2 LYS A 142 1.498 0.194 17.246 1.00 3.20 H new ATOM 0 HZ3 LYS A 142 0.723 1.682 16.982 1.00 3.20 H new ATOM 2099 N THR A 143 7.700 4.635 14.419 1.00 0.99 N ATOM 2100 CA THR A 143 9.098 4.356 14.713 1.00 1.15 C ATOM 2101 C THR A 143 9.620 5.554 15.500 1.00 1.14 C ATOM 2102 O THR A 143 8.934 6.575 15.560 1.00 1.06 O ATOM 2103 CB THR A 143 9.880 4.067 13.412 1.00 1.27 C ATOM 2104 OG1 THR A 143 9.117 3.251 12.544 1.00 2.50 O ATOM 2105 CG2 THR A 143 11.216 3.353 13.643 1.00 2.17 C ATOM 0 H THR A 143 7.483 5.626 14.316 1.00 0.99 H new ATOM 0 HA THR A 143 9.226 3.456 15.315 1.00 1.15 H new ATOM 0 HB THR A 143 10.079 5.047 12.978 1.00 1.27 H new ATOM 0 HG1 THR A 143 9.471 3.321 11.633 1.00 2.50 H new ATOM 0 HG21 THR A 143 11.708 3.183 12.685 1.00 2.17 H new ATOM 0 HG22 THR A 143 11.854 3.971 14.275 1.00 2.17 H new ATOM 0 HG23 THR A 143 11.037 2.396 14.133 1.00 2.17 H new ATOM 2113 N VAL A 144 10.826 5.449 16.067 1.00 1.31 N ATOM 2114 CA VAL A 144 11.526 6.540 16.747 1.00 1.43 C ATOM 2115 C VAL A 144 11.422 7.847 15.947 1.00 1.38 C ATOM 2116 O VAL A 144 11.353 8.928 16.525 1.00 1.53 O ATOM 2117 CB VAL A 144 12.994 6.136 16.989 1.00 1.58 C ATOM 2118 CG1 VAL A 144 13.794 7.266 17.652 1.00 1.95 C ATOM 2119 CG2 VAL A 144 13.083 4.896 17.891 1.00 2.11 C ATOM 0 H VAL A 144 11.356 4.577 16.065 1.00 1.31 H new ATOM 0 HA VAL A 144 11.053 6.722 17.712 1.00 1.43 H new ATOM 0 HB VAL A 144 13.418 5.919 16.009 1.00 1.58 H new ATOM 0 HG11 VAL A 144 14.823 6.942 17.805 1.00 1.95 H new ATOM 0 HG12 VAL A 144 13.783 8.146 17.008 1.00 1.95 H new ATOM 0 HG13 VAL A 144 13.345 7.514 18.614 1.00 1.95 H new ATOM 0 HG21 VAL A 144 14.129 4.633 18.045 1.00 2.11 H new ATOM 0 HG22 VAL A 144 12.617 5.111 18.853 1.00 2.11 H new ATOM 0 HG23 VAL A 144 12.566 4.063 17.416 1.00 2.11 H new ATOM 2129 N ASN A 145 11.380 7.734 14.616 1.00 1.28 N ATOM 2130 CA ASN A 145 11.008 8.828 13.729 1.00 1.31 C ATOM 2131 C ASN A 145 10.207 8.236 12.570 1.00 1.18 C ATOM 2132 O ASN A 145 10.521 8.452 11.407 1.00 1.35 O ATOM 2133 CB ASN A 145 12.257 9.600 13.260 1.00 1.66 C ATOM 2134 CG ASN A 145 13.187 8.778 12.363 1.00 1.58 C ATOM 2135 OD1 ASN A 145 13.446 9.146 11.221 1.00 2.65 O ATOM 2136 ND2 ASN A 145 13.700 7.671 12.886 1.00 1.68 N ATOM 0 H ASN A 145 11.607 6.870 14.124 1.00 1.28 H new ATOM 0 HA ASN A 145 10.388 9.558 14.249 1.00 1.31 H new ATOM 0 HB2 ASN A 145 11.940 10.492 12.720 1.00 1.66 H new ATOM 0 HB3 ASN A 145 12.814 9.938 14.134 1.00 1.66 H new ATOM 0 HD21 ASN A 145 14.334 7.093 12.335 1.00 1.68 H new ATOM 0 HD22 ASN A 145 13.460 7.399 13.839 1.00 1.68 H new ATOM 2143 N GLY A 146 9.128 7.521 12.906 1.00 1.03 N ATOM 2144 CA GLY A 146 8.214 6.928 11.949 1.00 1.02 C ATOM 2145 C GLY A 146 6.870 7.598 12.130 1.00 0.79 C ATOM 2146 O GLY A 146 6.350 7.649 13.246 1.00 0.84 O ATOM 0 H GLY A 146 8.868 7.340 13.876 1.00 1.03 H new ATOM 0 HA2 GLY A 146 8.579 7.069 10.932 1.00 1.02 H new ATOM 0 HA3 GLY A 146 8.132 5.853 12.112 1.00 1.02 H new ATOM 2150 N ILE A 147 6.342 8.158 11.044 1.00 0.70 N ATOM 2151 CA ILE A 147 5.166 8.987 11.102 1.00 0.72 C ATOM 2152 C ILE A 147 3.972 8.052 11.214 1.00 0.86 C ATOM 2153 O ILE A 147 3.556 7.477 10.213 1.00 1.19 O ATOM 2154 CB ILE A 147 5.085 9.884 9.858 1.00 0.81 C ATOM 2155 CG1 ILE A 147 6.332 10.769 9.698 1.00 2.21 C ATOM 2156 CG2 ILE A 147 3.869 10.800 10.026 1.00 2.07 C ATOM 2157 CD1 ILE A 147 7.507 10.101 8.968 1.00 1.65 C ATOM 0 H ILE A 147 6.725 8.043 10.106 1.00 0.70 H new ATOM 0 HA ILE A 147 5.190 9.658 11.961 1.00 0.72 H new ATOM 0 HB ILE A 147 5.009 9.247 8.977 1.00 0.81 H new ATOM 0 HG12 ILE A 147 6.052 11.672 9.156 1.00 2.21 H new ATOM 0 HG13 ILE A 147 6.668 11.082 10.687 1.00 2.21 H new ATOM 0 HG21 ILE A 147 3.782 11.452 9.157 1.00 2.07 H new ATOM 0 HG22 ILE A 147 2.967 10.195 10.117 1.00 2.07 H new ATOM 0 HG23 ILE A 147 3.991 11.406 10.924 1.00 2.07 H new ATOM 0 HD11 ILE A 147 8.340 10.801 8.903 1.00 1.65 H new ATOM 0 HD12 ILE A 147 7.820 9.214 9.518 1.00 1.65 H new ATOM 0 HD13 ILE A 147 7.195 9.814 7.964 1.00 1.65 H new ATOM 2169 N ARG A 148 3.445 7.907 12.434 1.00 0.96 N ATOM 2170 CA ARG A 148 2.370 6.968 12.728 1.00 1.15 C ATOM 2171 C ARG A 148 1.291 7.040 11.650 1.00 1.19 C ATOM 2172 O ARG A 148 1.078 6.072 10.928 1.00 1.53 O ATOM 2173 CB ARG A 148 1.774 7.193 14.129 1.00 1.23 C ATOM 2174 CG ARG A 148 0.722 6.103 14.398 1.00 1.35 C ATOM 2175 CD ARG A 148 -0.158 6.358 15.622 1.00 1.51 C ATOM 2176 NE ARG A 148 -1.217 5.335 15.659 1.00 1.82 N ATOM 2177 CZ ARG A 148 -2.492 5.449 16.053 1.00 2.06 C ATOM 2178 NH1 ARG A 148 -3.033 6.634 16.356 1.00 2.19 N ATOM 2179 NH2 ARG A 148 -3.222 4.334 16.116 1.00 2.86 N ATOM 0 H ARG A 148 3.757 8.442 13.245 1.00 0.96 H new ATOM 0 HA ARG A 148 2.797 5.965 12.725 1.00 1.15 H new ATOM 0 HB2 ARG A 148 2.559 7.155 14.884 1.00 1.23 H new ATOM 0 HB3 ARG A 148 1.319 8.181 14.192 1.00 1.23 H new ATOM 0 HG2 ARG A 148 0.083 6.009 13.520 1.00 1.35 H new ATOM 0 HG3 ARG A 148 1.232 5.148 14.525 1.00 1.35 H new ATOM 0 HD2 ARG A 148 0.439 6.318 16.533 1.00 1.51 H new ATOM 0 HD3 ARG A 148 -0.596 7.355 15.572 1.00 1.51 H new ATOM 0 HE ARG A 148 -0.940 4.407 15.339 1.00 1.82 H new ATOM 0 HH11 ARG A 148 -2.471 7.483 16.290 1.00 2.19 H new ATOM 0 HH12 ARG A 148 -4.007 6.689 16.653 1.00 2.19 H new ATOM 0 HH21 ARG A 148 -2.805 3.437 15.869 1.00 2.86 H new ATOM 0 HH22 ARG A 148 -4.197 4.379 16.412 1.00 2.86 H new ATOM 2193 N HIS A 149 0.594 8.175 11.579 1.00 1.09 N ATOM 2194 CA HIS A 149 -0.500 8.372 10.649 1.00 1.16 C ATOM 2195 C HIS A 149 0.070 8.697 9.271 1.00 1.12 C ATOM 2196 O HIS A 149 0.502 9.829 9.038 1.00 1.34 O ATOM 2197 CB HIS A 149 -1.415 9.489 11.165 1.00 1.22 C ATOM 2198 CG HIS A 149 -2.172 9.105 12.412 1.00 1.29 C ATOM 2199 ND1 HIS A 149 -3.453 8.607 12.454 1.00 2.28 N ATOM 2200 CD2 HIS A 149 -1.701 9.149 13.697 1.00 1.55 C ATOM 2201 CE1 HIS A 149 -3.743 8.355 13.741 1.00 2.09 C ATOM 2202 NE2 HIS A 149 -2.701 8.650 14.540 1.00 1.32 N ATOM 0 H HIS A 149 0.780 8.984 12.172 1.00 1.09 H new ATOM 0 HA HIS A 149 -1.099 7.465 10.564 1.00 1.16 H new ATOM 0 HB2 HIS A 149 -0.816 10.376 11.370 1.00 1.22 H new ATOM 0 HB3 HIS A 149 -2.126 9.758 10.384 1.00 1.22 H new ATOM 0 HD1 HIS A 149 -4.069 8.457 11.655 1.00 2.28 H new ATOM 0 HD2 HIS A 149 -0.729 9.506 14.006 1.00 1.55 H new ATOM 0 HE1 HIS A 149 -4.689 7.966 14.089 1.00 2.09 H new ATOM 2210 N ILE A 150 0.051 7.710 8.368 1.00 0.95 N ATOM 2211 CA ILE A 150 0.357 7.898 6.961 1.00 0.87 C ATOM 2212 C ILE A 150 -0.926 7.665 6.155 1.00 0.96 C ATOM 2213 O ILE A 150 -1.527 6.590 6.216 1.00 1.12 O ATOM 2214 CB ILE A 150 1.535 6.991 6.559 1.00 0.85 C ATOM 2215 CG1 ILE A 150 2.860 7.667 6.956 1.00 1.03 C ATOM 2216 CG2 ILE A 150 1.553 6.724 5.050 1.00 1.11 C ATOM 2217 CD1 ILE A 150 4.006 6.669 7.120 1.00 1.48 C ATOM 0 H ILE A 150 -0.182 6.746 8.607 1.00 0.95 H new ATOM 0 HA ILE A 150 0.687 8.915 6.748 1.00 0.87 H new ATOM 0 HB ILE A 150 1.415 6.040 7.078 1.00 0.85 H new ATOM 0 HG12 ILE A 150 3.130 8.402 6.198 1.00 1.03 H new ATOM 0 HG13 ILE A 150 2.720 8.210 7.891 1.00 1.03 H new ATOM 0 HG21 ILE A 150 2.398 6.081 4.804 1.00 1.11 H new ATOM 0 HG22 ILE A 150 0.625 6.233 4.756 1.00 1.11 H new ATOM 0 HG23 ILE A 150 1.648 7.669 4.514 1.00 1.11 H new ATOM 0 HD11 ILE A 150 4.915 7.201 7.400 1.00 1.48 H new ATOM 0 HD12 ILE A 150 3.753 5.949 7.898 1.00 1.48 H new ATOM 0 HD13 ILE A 150 4.169 6.144 6.179 1.00 1.48 H new ATOM 2229 N GLY A 151 -1.351 8.686 5.409 1.00 0.94 N ATOM 2230 CA GLY A 151 -2.464 8.604 4.484 1.00 1.03 C ATOM 2231 C GLY A 151 -1.953 8.022 3.171 1.00 0.93 C ATOM 2232 O GLY A 151 -0.896 8.420 2.682 1.00 1.13 O ATOM 0 H GLY A 151 -0.917 9.609 5.437 1.00 0.94 H new ATOM 0 HA2 GLY A 151 -3.254 7.976 4.896 1.00 1.03 H new ATOM 0 HA3 GLY A 151 -2.895 9.592 4.319 1.00 1.03 H new ATOM 2236 N LEU A 152 -2.681 7.053 2.613 1.00 0.79 N ATOM 2237 CA LEU A 152 -2.265 6.336 1.424 1.00 0.92 C ATOM 2238 C LEU A 152 -3.267 6.655 0.320 1.00 0.78 C ATOM 2239 O LEU A 152 -4.433 6.275 0.422 1.00 0.79 O ATOM 2240 CB LEU A 152 -2.220 4.852 1.792 1.00 1.25 C ATOM 2241 CG LEU A 152 -1.579 3.905 0.786 1.00 0.83 C ATOM 2242 CD1 LEU A 152 -2.258 3.922 -0.586 1.00 0.72 C ATOM 2243 CD2 LEU A 152 -0.078 4.164 0.660 1.00 0.75 C ATOM 0 H LEU A 152 -3.581 6.748 2.982 1.00 0.79 H new ATOM 0 HA LEU A 152 -1.278 6.623 1.061 1.00 0.92 H new ATOM 0 HB2 LEU A 152 -1.685 4.754 2.737 1.00 1.25 H new ATOM 0 HB3 LEU A 152 -3.242 4.516 1.968 1.00 1.25 H new ATOM 0 HG LEU A 152 -1.726 2.901 1.184 1.00 0.83 H new ATOM 0 HD11 LEU A 152 -1.750 3.225 -1.252 1.00 0.72 H new ATOM 0 HD12 LEU A 152 -3.302 3.627 -0.479 1.00 0.72 H new ATOM 0 HD13 LEU A 152 -2.206 4.927 -1.005 1.00 0.72 H new ATOM 0 HD21 LEU A 152 0.351 3.472 -0.065 1.00 0.75 H new ATOM 0 HD22 LEU A 152 0.088 5.188 0.327 1.00 0.75 H new ATOM 0 HD23 LEU A 152 0.399 4.016 1.629 1.00 0.75 H new ATOM 2255 N ALA A 153 -2.827 7.367 -0.721 1.00 0.80 N ATOM 2256 CA ALA A 153 -3.697 7.781 -1.812 1.00 0.83 C ATOM 2257 C ALA A 153 -2.981 7.563 -3.138 1.00 0.71 C ATOM 2258 O ALA A 153 -1.850 8.023 -3.302 1.00 0.80 O ATOM 2259 CB ALA A 153 -4.072 9.254 -1.629 1.00 1.12 C ATOM 0 H ALA A 153 -1.859 7.669 -0.826 1.00 0.80 H new ATOM 0 HA ALA A 153 -4.611 7.187 -1.810 1.00 0.83 H new ATOM 0 HB1 ALA A 153 -4.724 9.568 -2.445 1.00 1.12 H new ATOM 0 HB2 ALA A 153 -4.592 9.382 -0.679 1.00 1.12 H new ATOM 0 HB3 ALA A 153 -3.168 9.863 -1.633 1.00 1.12 H new ATOM 2265 N ALA A 154 -3.632 6.871 -4.078 1.00 0.82 N ATOM 2266 CA ALA A 154 -3.137 6.687 -5.431 1.00 0.72 C ATOM 2267 C ALA A 154 -4.248 6.946 -6.425 1.00 0.82 C ATOM 2268 O ALA A 154 -5.368 6.490 -6.193 1.00 1.18 O ATOM 2269 CB ALA A 154 -2.689 5.242 -5.618 1.00 0.89 C ATOM 0 H ALA A 154 -4.531 6.419 -3.910 1.00 0.82 H new ATOM 0 HA ALA A 154 -2.308 7.377 -5.592 1.00 0.72 H new ATOM 0 HB1 ALA A 154 -2.318 5.105 -6.634 1.00 0.89 H new ATOM 0 HB2 ALA A 154 -1.895 5.012 -4.907 1.00 0.89 H new ATOM 0 HB3 ALA A 154 -3.533 4.574 -5.447 1.00 0.89 H new ATOM 2275 N LYS A 155 -3.922 7.606 -7.539 1.00 0.96 N ATOM 2276 CA LYS A 155 -4.743 7.520 -8.728 1.00 1.00 C ATOM 2277 C LYS A 155 -3.990 7.846 -10.009 1.00 1.34 C ATOM 2278 O LYS A 155 -3.052 8.642 -10.013 1.00 1.94 O ATOM 2279 CB LYS A 155 -6.044 8.300 -8.604 1.00 1.98 C ATOM 2280 CG LYS A 155 -5.926 9.768 -8.193 1.00 2.13 C ATOM 2281 CD LYS A 155 -7.369 10.104 -7.807 1.00 3.14 C ATOM 2282 CE LYS A 155 -7.702 11.530 -7.378 1.00 3.76 C ATOM 2283 NZ LYS A 155 -9.167 11.633 -7.193 1.00 4.52 N ATOM 0 H LYS A 155 -3.098 8.200 -7.633 1.00 0.96 H new ATOM 0 HA LYS A 155 -5.020 6.469 -8.809 1.00 1.00 H new ATOM 0 HB2 LYS A 155 -6.561 8.255 -9.563 1.00 1.98 H new ATOM 0 HB3 LYS A 155 -6.677 7.792 -7.876 1.00 1.98 H new ATOM 0 HG2 LYS A 155 -5.238 9.905 -7.359 1.00 2.13 H new ATOM 0 HG3 LYS A 155 -5.565 10.393 -9.010 1.00 2.13 H new ATOM 0 HD2 LYS A 155 -8.004 9.859 -8.658 1.00 3.14 H new ATOM 0 HD3 LYS A 155 -7.656 9.439 -6.993 1.00 3.14 H new ATOM 0 HE2 LYS A 155 -7.185 11.778 -6.451 1.00 3.76 H new ATOM 0 HE3 LYS A 155 -7.364 12.241 -8.132 1.00 3.76 H new ATOM 0 HZ1 LYS A 155 -9.556 12.316 -7.874 1.00 4.52 H new ATOM 0 HZ2 LYS A 155 -9.603 10.702 -7.350 1.00 4.52 H new ATOM 0 HZ3 LYS A 155 -9.373 11.953 -6.225 1.00 4.52 H new ATOM 2297 N GLN A 156 -4.424 7.175 -11.073 1.00 1.34 N ATOM 2298 CA GLN A 156 -3.905 7.202 -12.408 1.00 1.89 C ATOM 2299 C GLN A 156 -4.546 8.328 -13.220 1.00 2.68 C ATOM 2300 O GLN A 156 -3.906 8.733 -14.215 1.00 3.17 O ATOM 2301 CB GLN A 156 -4.274 5.831 -12.975 1.00 1.97 C ATOM 2302 CG GLN A 156 -3.560 4.702 -12.215 1.00 2.18 C ATOM 2303 CD GLN A 156 -3.912 4.426 -10.750 1.00 2.85 C ATOM 2304 OE1 GLN A 156 -3.276 4.954 -9.837 1.00 4.37 O ATOM 2305 NE2 GLN A 156 -4.836 3.512 -10.483 1.00 2.42 N ATOM 0 H GLN A 156 -5.223 6.545 -10.999 1.00 1.34 H new ATOM 0 HA GLN A 156 -2.832 7.390 -12.439 1.00 1.89 H new ATOM 0 HB2 GLN A 156 -5.353 5.688 -12.914 1.00 1.97 H new ATOM 0 HB3 GLN A 156 -4.006 5.788 -14.031 1.00 1.97 H new ATOM 0 HG2 GLN A 156 -3.731 3.779 -12.769 1.00 2.18 H new ATOM 0 HG3 GLN A 156 -2.490 4.907 -12.259 1.00 2.18 H new ATOM 0 HE21 GLN A 156 -5.359 3.078 -11.244 1.00 2.42 H new ATOM 0 HE22 GLN A 156 -5.023 3.243 -9.517 1.00 2.42 H new TER 2314 GLN A 156