USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1234 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 56 LYS NZ :NH3+ 145:sc= -0.3 (180deg=-1.4!) USER MOD Set 1.2: B 75 ASN : amide:sc= 0.129 K(o=-0.17,f=-2.1) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 151:sc= 0.939 (180deg=0.395) USER MOD Set 2.2: B 65 ASN : amide:sc= -1.15 K(o=-0.21,f=-2.2!) USER MOD Set 3.1: B 11 LYS NZ :NH3+ 150:sc= -3.06! (180deg=-4.38!) USER MOD Set 3.2: B 14 THR OG1 : rot 170:sc= -0.635 USER MOD Set 4.1: B 5 LYS NZ :NH3+ 177:sc= -6.72! (180deg=-6.35!) USER MOD Set 4.2: B 7 HIS : no HD1:sc= -4.85 K(o=-12,f=-18!) USER MOD Set 4.3: B 8 THR OG1 : rot 180:sc= -0.0101 USER MOD Set 5.1: A 1 MET N :NH3+ -175:sc= -0.934 (180deg=-1.06) USER MOD Set 5.2: A 5 LYS NZ :NH3+ 147:sc= -8.35! (180deg=-10.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -69:sc= 0.873 USER MOD Single : A 7 HIS : no HD1:sc= -5.53! C(o=-5.5!,f=-7.5!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -6.74! (180deg=-8.16!) USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= -1.94! (180deg=-2.5) USER MOD Single : A 13 MET CE :methyl -146:sc= -1.15! (180deg=-2.77!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 18 ASN :FLIP amide:sc= -4.89! C(o=-5.9!,f=-4.9!) USER MOD Single : A 26 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0442 USER MOD Single : A 33 LYS NZ :NH3+ -145:sc= 1.25 (180deg=1.01) USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0.263 (180deg=0.256) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 40 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.7) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 47 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -50:sc= -0.0486 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0737 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00558 USER MOD Single : A 65 ASN : amide:sc= 0.024 X(o=0.024,f=0.0064) USER MOD Single : A 66 GLN : amide:sc= -0.072 K(o=-0.072,f=-1.2) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= 0.13 (180deg=0.0846) USER MOD Single : A 75 ASN : amide:sc= 0.342 X(o=0.34,f=-0.1) USER MOD Single : B 1 MET CE :methyl -172:sc= -0.715 (180deg=-0.775) USER MOD Single : B 1 MET N :NH3+ -172:sc= -0.728 (180deg=-0.897) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0576 USER MOD Single : B 9 SER OG : rot 180:sc= -0.456 USER MOD Single : B 12 LYS NZ :NH3+ -121:sc= -1.47 (180deg=-6.8!) USER MOD Single : B 13 MET CE :methyl -157:sc= -0.0686 (180deg=-0.906) USER MOD Single : B 18 ASN : amide:sc= -2.53 K(o=-2.5,f=-17!) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0.1 USER MOD Single : B 30 SER OG : rot 180:sc=0.000448 USER MOD Single : B 31 SER OG : rot -69:sc= 0.62 USER MOD Single : B 33 LYS NZ :NH3+ -168:sc= -3.97! (180deg=-4.77!) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 ASN :FLIP amide:sc= -0.0316 F(o=-1.4!,f=-0.032) USER MOD Single : B 40 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.35) USER MOD Single : B 45 LYS NZ :NH3+ -174:sc= 0.246 (180deg=0.236) USER MOD Single : B 46 HIS : no HD1:sc= -0.018 X(o=-0.018,f=-0.094) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot 79:sc= -3.04! USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 THR OG1 : rot 166:sc= -0.439 USER MOD Single : B 59 SER OG : rot 180:sc= 0.116 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : B 66 GLN : amide:sc= -0.0788 X(o=-0.079,f=-0.46) USER MOD Single : B 70 ASN : amide:sc= -0.0175 K(o=-0.018,f=-0.99) USER MOD Single : B 73 LYS NZ :NH3+ -130:sc= -0.377 (180deg=-2.07) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -36.133 51.462 -12.436 1.00 52.69 N ATOM 2 CA MET A 1 -37.437 51.008 -12.983 1.00 52.68 C ATOM 3 C MET A 1 -37.481 49.495 -13.097 1.00 52.43 C ATOM 4 O MET A 1 -36.451 48.838 -13.012 1.00 52.55 O ATOM 5 CB MET A 1 -37.635 51.636 -14.363 1.00 52.98 C ATOM 6 CG MET A 1 -39.060 51.532 -14.882 1.00 53.17 C ATOM 7 SD MET A 1 -39.340 50.040 -15.854 1.00 53.83 S ATOM 8 CE MET A 1 -40.915 50.411 -16.612 1.00 54.20 C ATOM 0 H1 MET A 1 -36.158 52.491 -12.288 1.00 52.69 H new ATOM 0 H2 MET A 1 -35.952 50.986 -11.529 1.00 52.69 H new ATOM 0 H3 MET A 1 -35.374 51.227 -13.107 1.00 52.69 H new ATOM 0 HA MET A 1 -38.234 51.319 -12.308 1.00 52.68 H new ATOM 0 HB2 MET A 1 -37.350 52.687 -14.319 1.00 52.98 H new ATOM 0 HB3 MET A 1 -36.963 51.153 -15.072 1.00 52.98 H new ATOM 0 HG2 MET A 1 -39.751 51.547 -14.039 1.00 53.17 H new ATOM 0 HG3 MET A 1 -39.284 52.406 -15.493 1.00 53.17 H new ATOM 0 HE1 MET A 1 -41.219 49.578 -17.245 1.00 54.20 H new ATOM 0 HE2 MET A 1 -41.664 50.570 -15.836 1.00 54.20 H new ATOM 0 HE3 MET A 1 -40.824 51.312 -17.218 1.00 54.20 H new ATOM 20 N SER A 2 -38.679 48.958 -13.309 1.00 52.13 N ATOM 21 CA SER A 2 -38.863 47.522 -13.458 1.00 51.92 C ATOM 22 C SER A 2 -37.767 46.939 -14.336 1.00 51.30 C ATOM 23 O SER A 2 -37.271 45.845 -14.081 1.00 50.91 O ATOM 24 CB SER A 2 -40.228 47.225 -14.071 1.00 51.94 C ATOM 25 OG SER A 2 -40.111 46.961 -15.457 1.00 52.25 O ATOM 0 H SER A 2 -39.540 49.501 -13.381 1.00 52.13 H new ATOM 0 HA SER A 2 -38.809 47.062 -12.471 1.00 51.92 H new ATOM 0 HB2 SER A 2 -40.678 46.368 -13.570 1.00 51.94 H new ATOM 0 HB3 SER A 2 -40.895 48.073 -13.913 1.00 51.94 H new ATOM 0 HG SER A 2 -39.860 47.784 -15.927 1.00 52.25 H new ATOM 31 N LEU A 3 -37.378 47.695 -15.358 1.00 51.24 N ATOM 32 CA LEU A 3 -36.323 47.268 -16.255 1.00 50.73 C ATOM 33 C LEU A 3 -35.043 47.108 -15.465 1.00 49.93 C ATOM 34 O LEU A 3 -34.417 46.055 -15.490 1.00 49.72 O ATOM 35 CB LEU A 3 -36.124 48.281 -17.380 1.00 50.73 C ATOM 36 CG LEU A 3 -36.190 49.746 -16.954 1.00 51.38 C ATOM 37 CD1 LEU A 3 -34.794 50.304 -16.740 1.00 51.29 C ATOM 38 CD2 LEU A 3 -36.936 50.565 -17.992 1.00 51.81 C ATOM 0 H LEU A 3 -37.781 48.605 -15.581 1.00 51.24 H new ATOM 0 HA LEU A 3 -36.601 46.316 -16.707 1.00 50.73 H new ATOM 0 HB2 LEU A 3 -35.156 48.098 -17.845 1.00 50.73 H new ATOM 0 HB3 LEU A 3 -36.883 48.106 -18.143 1.00 50.73 H new ATOM 0 HG LEU A 3 -36.731 49.806 -16.010 1.00 51.38 H new ATOM 0 HD11 LEU A 3 -34.862 51.349 -16.437 1.00 51.29 H new ATOM 0 HD12 LEU A 3 -34.289 49.733 -15.961 1.00 51.29 H new ATOM 0 HD13 LEU A 3 -34.227 50.232 -17.668 1.00 51.29 H new ATOM 0 HD21 LEU A 3 -36.975 51.607 -17.674 1.00 51.81 H new ATOM 0 HD22 LEU A 3 -36.419 50.497 -18.949 1.00 51.81 H new ATOM 0 HD23 LEU A 3 -37.950 50.180 -18.099 1.00 51.81 H new ATOM 50 N GLU A 4 -34.679 48.153 -14.731 1.00 49.54 N ATOM 51 CA GLU A 4 -33.494 48.110 -13.903 1.00 48.79 C ATOM 52 C GLU A 4 -33.581 46.899 -13.004 1.00 48.08 C ATOM 53 O GLU A 4 -32.621 46.157 -12.853 1.00 47.64 O ATOM 54 CB GLU A 4 -33.360 49.389 -13.073 1.00 48.81 C ATOM 55 CG GLU A 4 -32.443 49.250 -11.866 1.00 49.11 C ATOM 56 CD GLU A 4 -31.119 48.594 -12.206 1.00 49.00 C ATOM 57 OE1 GLU A 4 -30.353 49.182 -12.992 1.00 48.89 O ATOM 58 OE2 GLU A 4 -30.850 47.496 -11.682 1.00 49.07 O ATOM 0 H GLU A 4 -35.190 49.035 -14.697 1.00 49.54 H new ATOM 0 HA GLU A 4 -32.609 48.039 -14.536 1.00 48.79 H new ATOM 0 HB2 GLU A 4 -32.983 50.187 -13.713 1.00 48.81 H new ATOM 0 HB3 GLU A 4 -34.349 49.694 -12.732 1.00 48.81 H new ATOM 0 HG2 GLU A 4 -32.256 50.237 -11.442 1.00 49.11 H new ATOM 0 HG3 GLU A 4 -32.947 48.663 -11.098 1.00 49.11 H new ATOM 65 N LYS A 5 -34.758 46.689 -12.437 1.00 48.00 N ATOM 66 CA LYS A 5 -34.988 45.547 -11.580 1.00 47.39 C ATOM 67 C LYS A 5 -34.635 44.290 -12.332 1.00 46.83 C ATOM 68 O LYS A 5 -33.973 43.401 -11.800 1.00 46.53 O ATOM 69 CB LYS A 5 -36.443 45.496 -11.137 1.00 47.60 C ATOM 70 CG LYS A 5 -37.006 46.852 -10.764 1.00 48.09 C ATOM 71 CD LYS A 5 -36.558 47.274 -9.377 1.00 48.48 C ATOM 72 CE LYS A 5 -35.235 48.018 -9.417 1.00 49.07 C ATOM 73 NZ LYS A 5 -35.133 48.899 -10.610 1.00 49.26 N ATOM 0 H LYS A 5 -35.567 47.298 -12.558 1.00 48.00 H new ATOM 0 HA LYS A 5 -34.363 45.634 -10.691 1.00 47.39 H new ATOM 0 HB2 LYS A 5 -37.045 45.069 -11.939 1.00 47.60 H new ATOM 0 HB3 LYS A 5 -36.531 44.826 -10.282 1.00 47.60 H new ATOM 0 HG2 LYS A 5 -36.684 47.595 -11.494 1.00 48.09 H new ATOM 0 HG3 LYS A 5 -38.095 46.819 -10.802 1.00 48.09 H new ATOM 0 HD2 LYS A 5 -37.320 47.910 -8.926 1.00 48.48 H new ATOM 0 HD3 LYS A 5 -36.461 46.393 -8.742 1.00 48.48 H new ATOM 0 HE2 LYS A 5 -35.127 48.617 -8.513 1.00 49.07 H new ATOM 0 HE3 LYS A 5 -34.415 47.300 -9.424 1.00 49.07 H new ATOM 0 HZ1 LYS A 5 -34.577 49.745 -10.370 1.00 49.26 H new ATOM 0 HZ2 LYS A 5 -34.664 48.384 -11.383 1.00 49.26 H new ATOM 0 HZ3 LYS A 5 -36.086 49.185 -10.913 1.00 49.26 H new ATOM 87 N ALA A 6 -35.060 44.237 -13.589 1.00 46.75 N ATOM 88 CA ALA A 6 -34.763 43.101 -14.432 1.00 46.29 C ATOM 89 C ALA A 6 -33.271 42.859 -14.407 1.00 45.95 C ATOM 90 O ALA A 6 -32.811 41.753 -14.138 1.00 46.32 O ATOM 91 CB ALA A 6 -35.246 43.345 -15.852 1.00 46.58 C ATOM 0 H ALA A 6 -35.609 44.969 -14.040 1.00 46.75 H new ATOM 0 HA ALA A 6 -35.283 42.219 -14.057 1.00 46.29 H new ATOM 0 HB1 ALA A 6 -35.013 42.478 -16.470 1.00 46.58 H new ATOM 0 HB2 ALA A 6 -36.324 43.507 -15.847 1.00 46.58 H new ATOM 0 HB3 ALA A 6 -34.749 44.225 -16.259 1.00 46.58 H new ATOM 97 N HIS A 7 -32.520 43.920 -14.646 1.00 45.30 N ATOM 98 CA HIS A 7 -31.079 43.837 -14.608 1.00 44.97 C ATOM 99 C HIS A 7 -30.577 44.445 -13.313 1.00 44.39 C ATOM 100 O HIS A 7 -29.622 45.216 -13.305 1.00 43.96 O ATOM 101 CB HIS A 7 -30.448 44.533 -15.814 1.00 44.96 C ATOM 102 CG HIS A 7 -30.837 45.967 -15.966 1.00 45.01 C ATOM 103 ND1 HIS A 7 -30.112 47.006 -15.426 1.00 44.94 N ATOM 104 CD2 HIS A 7 -31.870 46.534 -16.624 1.00 45.18 C ATOM 105 CE1 HIS A 7 -30.684 48.150 -15.748 1.00 45.06 C ATOM 106 NE2 HIS A 7 -31.753 47.890 -16.474 1.00 45.21 N ATOM 0 H HIS A 7 -32.888 44.845 -14.868 1.00 45.30 H new ATOM 0 HA HIS A 7 -30.787 42.788 -14.653 1.00 44.97 H new ATOM 0 HB2 HIS A 7 -29.363 44.469 -15.729 1.00 44.96 H new ATOM 0 HB3 HIS A 7 -30.729 43.994 -16.719 1.00 44.96 H new ATOM 0 HD2 HIS A 7 -32.645 46.015 -17.168 1.00 45.18 H new ATOM 0 HE1 HIS A 7 -30.336 49.132 -15.465 1.00 45.06 H new ATOM 0 HE2 HIS A 7 -32.390 48.586 -16.861 1.00 45.21 H new ATOM 115 N THR A 8 -31.236 44.084 -12.211 1.00 44.44 N ATOM 116 CA THR A 8 -30.847 44.585 -10.904 1.00 43.96 C ATOM 117 C THR A 8 -29.392 44.252 -10.676 1.00 43.67 C ATOM 118 O THR A 8 -28.675 44.949 -9.963 1.00 43.66 O ATOM 119 CB THR A 8 -31.698 43.982 -9.779 1.00 44.29 C ATOM 120 OG1 THR A 8 -31.451 44.681 -8.556 1.00 44.86 O ATOM 121 CG2 THR A 8 -31.393 42.505 -9.598 1.00 43.97 C ATOM 0 H THR A 8 -32.035 43.451 -12.203 1.00 44.44 H new ATOM 0 HA THR A 8 -31.006 45.663 -10.887 1.00 43.96 H new ATOM 0 HB THR A 8 -32.748 44.084 -10.052 1.00 44.29 H new ATOM 0 HG1 THR A 8 -31.998 44.293 -7.841 1.00 44.86 H new ATOM 0 HG21 THR A 8 -32.010 42.102 -8.795 1.00 43.97 H new ATOM 0 HG22 THR A 8 -31.610 41.973 -10.524 1.00 43.97 H new ATOM 0 HG23 THR A 8 -30.340 42.379 -9.345 1.00 43.97 H new ATOM 129 N SER A 9 -28.965 43.193 -11.351 1.00 43.50 N ATOM 130 CA SER A 9 -27.591 42.745 -11.311 1.00 43.27 C ATOM 131 C SER A 9 -26.784 43.596 -12.271 1.00 42.89 C ATOM 132 O SER A 9 -25.775 43.159 -12.816 1.00 42.78 O ATOM 133 CB SER A 9 -27.511 41.282 -11.724 1.00 43.30 C ATOM 134 OG SER A 9 -28.286 41.048 -12.887 1.00 43.56 O ATOM 0 H SER A 9 -29.569 42.622 -11.942 1.00 43.50 H new ATOM 0 HA SER A 9 -27.195 42.842 -10.300 1.00 43.27 H new ATOM 0 HB2 SER A 9 -26.473 41.008 -11.911 1.00 43.30 H new ATOM 0 HB3 SER A 9 -27.866 40.649 -10.911 1.00 43.30 H new ATOM 0 HG SER A 9 -28.221 40.103 -13.139 1.00 43.56 H new ATOM 140 N VAL A 10 -27.279 44.811 -12.484 1.00 42.75 N ATOM 141 CA VAL A 10 -26.667 45.767 -13.386 1.00 42.43 C ATOM 142 C VAL A 10 -25.155 45.738 -13.271 1.00 41.60 C ATOM 143 O VAL A 10 -24.477 45.207 -14.148 1.00 41.43 O ATOM 144 CB VAL A 10 -27.197 47.192 -13.110 1.00 42.78 C ATOM 145 CG1 VAL A 10 -27.365 47.428 -11.617 1.00 43.09 C ATOM 146 CG2 VAL A 10 -26.286 48.243 -13.726 1.00 43.59 C ATOM 0 H VAL A 10 -28.123 45.158 -12.029 1.00 42.75 H new ATOM 0 HA VAL A 10 -26.936 45.484 -14.404 1.00 42.43 H new ATOM 0 HB VAL A 10 -28.177 47.282 -13.579 1.00 42.78 H new ATOM 0 HG11 VAL A 10 -27.739 48.438 -11.448 1.00 43.09 H new ATOM 0 HG12 VAL A 10 -28.074 46.706 -11.212 1.00 43.09 H new ATOM 0 HG13 VAL A 10 -26.402 47.310 -11.119 1.00 43.09 H new ATOM 0 HG21 VAL A 10 -26.683 49.236 -13.516 1.00 43.59 H new ATOM 0 HG22 VAL A 10 -25.287 48.154 -13.299 1.00 43.59 H new ATOM 0 HG23 VAL A 10 -26.235 48.093 -14.804 1.00 43.59 H new ATOM 156 N LYS A 11 -24.636 46.298 -12.187 1.00 41.14 N ATOM 157 CA LYS A 11 -23.201 46.318 -11.964 1.00 40.38 C ATOM 158 C LYS A 11 -22.632 44.950 -12.268 1.00 39.65 C ATOM 159 O LYS A 11 -21.594 44.830 -12.913 1.00 39.62 O ATOM 160 CB LYS A 11 -22.879 46.710 -10.517 1.00 40.21 C ATOM 161 CG LYS A 11 -24.099 46.826 -9.614 1.00 40.53 C ATOM 162 CD LYS A 11 -24.593 45.463 -9.166 1.00 40.45 C ATOM 163 CE LYS A 11 -26.053 45.510 -8.753 1.00 40.17 C ATOM 164 NZ LYS A 11 -26.565 44.167 -8.368 1.00 40.27 N ATOM 0 H LYS A 11 -25.186 46.742 -11.452 1.00 41.14 H new ATOM 0 HA LYS A 11 -22.751 47.060 -12.624 1.00 40.38 H new ATOM 0 HB2 LYS A 11 -22.198 45.971 -10.095 1.00 40.21 H new ATOM 0 HB3 LYS A 11 -22.351 47.664 -10.520 1.00 40.21 H new ATOM 0 HG2 LYS A 11 -23.850 47.429 -8.741 1.00 40.53 H new ATOM 0 HG3 LYS A 11 -24.897 47.347 -10.144 1.00 40.53 H new ATOM 0 HD2 LYS A 11 -24.465 44.744 -9.975 1.00 40.45 H new ATOM 0 HD3 LYS A 11 -23.988 45.112 -8.330 1.00 40.45 H new ATOM 0 HE2 LYS A 11 -26.171 46.197 -7.915 1.00 40.17 H new ATOM 0 HE3 LYS A 11 -26.650 45.904 -9.575 1.00 40.17 H new ATOM 0 HZ1 LYS A 11 -27.605 44.182 -8.356 1.00 40.27 H new ATOM 0 HZ2 LYS A 11 -26.237 43.460 -9.057 1.00 40.27 H new ATOM 0 HZ3 LYS A 11 -26.212 43.919 -7.422 1.00 40.27 H new ATOM 178 N LYS A 12 -23.360 43.941 -11.792 1.00 39.13 N ATOM 179 CA LYS A 12 -23.032 42.526 -11.959 1.00 38.46 C ATOM 180 C LYS A 12 -23.479 41.783 -10.719 1.00 37.88 C ATOM 181 O LYS A 12 -23.156 40.622 -10.533 1.00 37.85 O ATOM 182 CB LYS A 12 -21.531 42.283 -12.186 1.00 38.37 C ATOM 183 CG LYS A 12 -20.700 42.249 -10.911 1.00 38.40 C ATOM 184 CD LYS A 12 -20.764 43.559 -10.147 1.00 38.58 C ATOM 185 CE LYS A 12 -19.562 44.432 -10.441 1.00 38.68 C ATOM 186 NZ LYS A 12 -19.918 45.873 -10.450 1.00 38.69 N ATOM 0 H LYS A 12 -24.220 44.090 -11.264 1.00 39.13 H new ATOM 0 HA LYS A 12 -23.549 42.165 -12.848 1.00 38.46 H new ATOM 0 HB2 LYS A 12 -21.404 41.338 -12.713 1.00 38.37 H new ATOM 0 HB3 LYS A 12 -21.143 43.066 -12.837 1.00 38.37 H new ATOM 0 HG2 LYS A 12 -21.053 41.440 -10.271 1.00 38.40 H new ATOM 0 HG3 LYS A 12 -19.663 42.027 -11.162 1.00 38.40 H new ATOM 0 HD2 LYS A 12 -21.676 44.093 -10.413 1.00 38.58 H new ATOM 0 HD3 LYS A 12 -20.814 43.356 -9.077 1.00 38.58 H new ATOM 0 HE2 LYS A 12 -18.790 44.253 -9.692 1.00 38.68 H new ATOM 0 HE3 LYS A 12 -19.139 44.156 -11.407 1.00 38.68 H new ATOM 0 HZ1 LYS A 12 -19.050 46.445 -10.417 1.00 38.69 H new ATOM 0 HZ2 LYS A 12 -20.446 46.095 -11.318 1.00 38.69 H new ATOM 0 HZ3 LYS A 12 -20.508 46.090 -9.621 1.00 38.69 H new ATOM 200 N MET A 13 -24.199 42.493 -9.855 1.00 37.50 N ATOM 201 CA MET A 13 -24.676 41.939 -8.594 1.00 36.98 C ATOM 202 C MET A 13 -23.506 41.375 -7.807 1.00 36.15 C ATOM 203 O MET A 13 -23.685 40.604 -6.867 1.00 35.91 O ATOM 204 CB MET A 13 -25.749 40.867 -8.834 1.00 37.36 C ATOM 205 CG MET A 13 -25.211 39.455 -9.011 1.00 37.17 C ATOM 206 SD MET A 13 -25.343 38.874 -10.711 1.00 37.20 S ATOM 207 CE MET A 13 -25.669 37.136 -10.449 1.00 36.92 C ATOM 0 H MET A 13 -24.467 43.465 -10.009 1.00 37.50 H new ATOM 0 HA MET A 13 -25.138 42.737 -8.012 1.00 36.98 H new ATOM 0 HB2 MET A 13 -26.444 40.874 -7.994 1.00 37.36 H new ATOM 0 HB3 MET A 13 -26.320 41.137 -9.722 1.00 37.36 H new ATOM 0 HG2 MET A 13 -24.166 39.426 -8.701 1.00 37.17 H new ATOM 0 HG3 MET A 13 -25.757 38.777 -8.355 1.00 37.17 H new ATOM 0 HE1 MET A 13 -25.205 36.555 -11.245 1.00 36.92 H new ATOM 0 HE2 MET A 13 -25.256 36.829 -9.488 1.00 36.92 H new ATOM 0 HE3 MET A 13 -26.745 36.963 -10.454 1.00 36.92 H new ATOM 217 N THR A 14 -22.304 41.765 -8.219 1.00 35.77 N ATOM 218 CA THR A 14 -21.081 41.301 -7.590 1.00 35.01 C ATOM 219 C THR A 14 -21.145 39.802 -7.372 1.00 34.25 C ATOM 220 O THR A 14 -20.503 39.265 -6.470 1.00 34.26 O ATOM 221 CB THR A 14 -20.813 42.011 -6.258 1.00 35.04 C ATOM 222 OG1 THR A 14 -22.039 42.498 -5.704 1.00 35.67 O ATOM 223 CG2 THR A 14 -19.848 43.168 -6.461 1.00 35.17 C ATOM 0 H THR A 14 -22.155 42.409 -8.996 1.00 35.77 H new ATOM 0 HA THR A 14 -20.257 41.540 -8.262 1.00 35.01 H new ATOM 0 HB THR A 14 -20.368 41.295 -5.568 1.00 35.04 H new ATOM 0 HG1 THR A 14 -21.857 42.948 -4.853 1.00 35.67 H new ATOM 0 HG21 THR A 14 -19.667 43.663 -5.507 1.00 35.17 H new ATOM 0 HG22 THR A 14 -18.906 42.791 -6.858 1.00 35.17 H new ATOM 0 HG23 THR A 14 -20.278 43.882 -7.164 1.00 35.17 H new ATOM 231 N PHE A 15 -21.930 39.147 -8.231 1.00 33.64 N ATOM 232 CA PHE A 15 -22.118 37.700 -8.207 1.00 32.92 C ATOM 233 C PHE A 15 -20.857 37.013 -7.733 1.00 32.10 C ATOM 234 O PHE A 15 -20.881 36.072 -6.942 1.00 31.56 O ATOM 235 CB PHE A 15 -22.430 37.221 -9.627 1.00 32.71 C ATOM 236 CG PHE A 15 -21.302 37.489 -10.591 1.00 32.75 C ATOM 237 CD1 PHE A 15 -21.031 38.776 -11.023 1.00 32.99 C ATOM 238 CD2 PHE A 15 -20.494 36.458 -11.038 1.00 32.63 C ATOM 239 CE1 PHE A 15 -19.986 39.031 -11.885 1.00 33.10 C ATOM 240 CE2 PHE A 15 -19.443 36.708 -11.897 1.00 32.74 C ATOM 241 CZ PHE A 15 -19.190 37.995 -12.321 1.00 32.99 C ATOM 0 H PHE A 15 -22.457 39.614 -8.969 1.00 33.64 H new ATOM 0 HA PHE A 15 -22.935 37.458 -7.528 1.00 32.92 H new ATOM 0 HB2 PHE A 15 -22.640 36.152 -9.608 1.00 32.71 H new ATOM 0 HB3 PHE A 15 -23.333 37.717 -9.983 1.00 32.71 H new ATOM 0 HD1 PHE A 15 -21.648 39.593 -10.679 1.00 32.99 H new ATOM 0 HD2 PHE A 15 -20.688 35.447 -10.711 1.00 32.63 H new ATOM 0 HE1 PHE A 15 -19.792 40.040 -12.217 1.00 33.10 H new ATOM 0 HE2 PHE A 15 -18.819 35.895 -12.237 1.00 32.74 H new ATOM 0 HZ PHE A 15 -18.369 38.191 -12.994 1.00 32.99 H new ATOM 251 N GLY A 16 -19.764 37.510 -8.256 1.00 32.07 N ATOM 252 CA GLY A 16 -18.464 37.001 -7.960 1.00 31.38 C ATOM 253 C GLY A 16 -17.473 37.656 -8.872 1.00 30.74 C ATOM 254 O GLY A 16 -16.433 37.095 -9.187 1.00 30.29 O ATOM 0 H GLY A 16 -19.761 38.293 -8.910 1.00 32.07 H new ATOM 0 HA2 GLY A 16 -18.208 37.200 -6.919 1.00 31.38 H new ATOM 0 HA3 GLY A 16 -18.442 35.919 -8.093 1.00 31.38 H new ATOM 258 N GLU A 17 -17.824 38.861 -9.310 1.00 30.74 N ATOM 259 CA GLU A 17 -16.975 39.619 -10.204 1.00 30.20 C ATOM 260 C GLU A 17 -15.616 39.797 -9.574 1.00 29.71 C ATOM 261 O GLU A 17 -14.589 39.496 -10.178 1.00 29.63 O ATOM 262 CB GLU A 17 -17.590 40.982 -10.507 1.00 30.52 C ATOM 263 CG GLU A 17 -17.266 41.482 -11.900 1.00 30.95 C ATOM 264 CD GLU A 17 -15.964 40.912 -12.422 1.00 31.17 C ATOM 265 OE1 GLU A 17 -15.993 39.817 -13.021 1.00 31.29 O ATOM 266 OE2 GLU A 17 -14.913 41.550 -12.212 1.00 31.28 O ATOM 0 H GLU A 17 -18.694 39.329 -9.056 1.00 30.74 H new ATOM 0 HA GLU A 17 -16.875 39.072 -11.142 1.00 30.20 H new ATOM 0 HB2 GLU A 17 -18.672 40.920 -10.392 1.00 30.52 H new ATOM 0 HB3 GLU A 17 -17.233 41.706 -9.775 1.00 30.52 H new ATOM 0 HG2 GLU A 17 -18.076 41.214 -12.578 1.00 30.95 H new ATOM 0 HG3 GLU A 17 -17.206 42.570 -11.889 1.00 30.95 H new ATOM 273 N ASN A 18 -15.621 40.257 -8.337 1.00 29.45 N ATOM 274 CA ASN A 18 -14.394 40.437 -7.601 1.00 29.03 C ATOM 275 C ASN A 18 -13.800 39.071 -7.324 1.00 28.24 C ATOM 276 O ASN A 18 -12.628 38.943 -6.999 1.00 28.03 O ATOM 277 CB ASN A 18 -14.667 41.151 -6.286 1.00 29.10 C ATOM 278 CG ASN A 18 -15.245 40.207 -5.257 1.00 28.93 C ATOM 279 OD1 ASN A 18 -16.346 39.558 -5.611 1.00 28.81 O flip ATOM 280 ND2 ASN A 18 -14.704 40.055 -4.166 1.00 29.02 N flip ATOM 0 H ASN A 18 -16.465 40.512 -7.824 1.00 29.45 H new ATOM 0 HA ASN A 18 -13.700 41.042 -8.185 1.00 29.03 H new ATOM 0 HB2 ASN A 18 -13.742 41.584 -5.906 1.00 29.10 H new ATOM 0 HB3 ASN A 18 -15.359 41.976 -6.455 1.00 29.10 H new ATOM 0 HD21 ASN A 18 -13.858 40.577 -3.939 1.00 29.02 H new ATOM 0 HD22 ASN A 18 -15.101 39.406 -3.486 1.00 29.02 H new ATOM 287 N ARG A 19 -14.641 38.051 -7.457 1.00 27.89 N ATOM 288 CA ARG A 19 -14.225 36.678 -7.231 1.00 27.19 C ATOM 289 C ARG A 19 -13.739 36.055 -8.516 1.00 26.47 C ATOM 290 O ARG A 19 -13.164 34.972 -8.509 1.00 26.25 O ATOM 291 CB ARG A 19 -15.372 35.846 -6.661 1.00 27.23 C ATOM 292 CG ARG A 19 -16.069 36.497 -5.483 1.00 27.00 C ATOM 293 CD ARG A 19 -15.269 36.335 -4.204 1.00 27.20 C ATOM 294 NE ARG A 19 -14.063 37.157 -4.202 1.00 27.45 N ATOM 295 CZ ARG A 19 -12.855 36.698 -4.508 1.00 27.94 C ATOM 296 NH1 ARG A 19 -12.694 35.435 -4.874 1.00 28.23 N ATOM 297 NH2 ARG A 19 -11.811 37.509 -4.466 1.00 28.23 N ATOM 0 H ARG A 19 -15.621 38.154 -7.722 1.00 27.89 H new ATOM 0 HA ARG A 19 -13.410 36.692 -6.508 1.00 27.19 H new ATOM 0 HB2 ARG A 19 -16.103 35.663 -7.449 1.00 27.23 H new ATOM 0 HB3 ARG A 19 -14.986 34.874 -6.352 1.00 27.23 H new ATOM 0 HG2 ARG A 19 -16.218 37.557 -5.688 1.00 27.00 H new ATOM 0 HG3 ARG A 19 -17.057 36.055 -5.354 1.00 27.00 H new ATOM 0 HD2 ARG A 19 -15.892 36.604 -3.351 1.00 27.20 H new ATOM 0 HD3 ARG A 19 -14.993 35.288 -4.080 1.00 27.20 H new ATOM 0 HE ARG A 19 -14.153 38.141 -3.951 1.00 27.45 H new ATOM 0 HH11 ARG A 19 -13.500 34.811 -4.922 1.00 28.23 H new ATOM 0 HH12 ARG A 19 -11.764 35.086 -5.108 1.00 28.23 H new ATOM 0 HH21 ARG A 19 -11.934 38.486 -4.199 1.00 28.23 H new ATOM 0 HH22 ARG A 19 -10.883 37.158 -4.701 1.00 28.23 H new ATOM 311 N ASP A 20 -13.979 36.747 -9.620 1.00 26.17 N ATOM 312 CA ASP A 20 -13.566 36.256 -10.917 1.00 25.54 C ATOM 313 C ASP A 20 -12.080 35.967 -10.916 1.00 24.65 C ATOM 314 O ASP A 20 -11.628 35.040 -11.587 1.00 24.53 O ATOM 315 CB ASP A 20 -13.883 37.261 -12.012 1.00 26.03 C ATOM 316 CG ASP A 20 -12.889 37.170 -13.145 1.00 25.70 C ATOM 317 OD1 ASP A 20 -12.867 36.125 -13.826 1.00 25.72 O ATOM 318 OD2 ASP A 20 -12.119 38.131 -13.338 1.00 25.48 O ATOM 0 H ASP A 20 -14.457 37.648 -9.639 1.00 26.17 H new ATOM 0 HA ASP A 20 -14.119 35.338 -11.117 1.00 25.54 H new ATOM 0 HB2 ASP A 20 -14.889 37.082 -12.393 1.00 26.03 H new ATOM 0 HB3 ASP A 20 -13.874 38.269 -11.597 1.00 26.03 H new ATOM 323 N LEU A 21 -11.326 36.759 -10.150 1.00 24.13 N ATOM 324 CA LEU A 21 -9.883 36.573 -10.051 1.00 23.35 C ATOM 325 C LEU A 21 -9.588 35.101 -9.879 1.00 22.33 C ATOM 326 O LEU A 21 -8.531 34.604 -10.260 1.00 21.99 O ATOM 327 CB LEU A 21 -9.320 37.357 -8.868 1.00 23.63 C ATOM 328 CG LEU A 21 -10.281 37.544 -7.696 1.00 23.70 C ATOM 329 CD1 LEU A 21 -10.586 36.214 -7.028 1.00 24.80 C ATOM 330 CD2 LEU A 21 -9.707 38.523 -6.688 1.00 23.44 C ATOM 0 H LEU A 21 -11.692 37.531 -9.593 1.00 24.13 H new ATOM 0 HA LEU A 21 -9.411 36.942 -10.961 1.00 23.35 H new ATOM 0 HB2 LEU A 21 -8.427 36.847 -8.507 1.00 23.63 H new ATOM 0 HB3 LEU A 21 -9.006 38.340 -9.220 1.00 23.63 H new ATOM 0 HG LEU A 21 -11.214 37.952 -8.085 1.00 23.70 H new ATOM 0 HD11 LEU A 21 -11.272 36.373 -6.196 1.00 24.80 H new ATOM 0 HD12 LEU A 21 -11.044 35.540 -7.752 1.00 24.80 H new ATOM 0 HD13 LEU A 21 -9.661 35.773 -6.656 1.00 24.80 H new ATOM 0 HD21 LEU A 21 -10.405 38.644 -5.860 1.00 23.44 H new ATOM 0 HD22 LEU A 21 -8.758 38.142 -6.310 1.00 23.44 H new ATOM 0 HD23 LEU A 21 -9.545 39.487 -7.169 1.00 23.44 H new ATOM 342 N GLU A 22 -10.567 34.416 -9.318 1.00 21.92 N ATOM 343 CA GLU A 22 -10.486 33.000 -9.096 1.00 21.00 C ATOM 344 C GLU A 22 -9.252 32.630 -8.319 1.00 20.38 C ATOM 345 O GLU A 22 -8.316 32.045 -8.860 1.00 20.63 O ATOM 346 CB GLU A 22 -10.516 32.255 -10.426 1.00 21.11 C ATOM 347 CG GLU A 22 -11.923 31.926 -10.887 1.00 21.38 C ATOM 348 CD GLU A 22 -12.835 31.576 -9.731 1.00 21.67 C ATOM 349 OE1 GLU A 22 -12.876 30.390 -9.348 1.00 21.86 O ATOM 350 OE2 GLU A 22 -13.498 32.490 -9.200 1.00 21.81 O ATOM 0 H GLU A 22 -11.442 34.836 -9.005 1.00 21.92 H new ATOM 0 HA GLU A 22 -11.352 32.707 -8.502 1.00 21.00 H new ATOM 0 HB2 GLU A 22 -10.022 32.860 -11.187 1.00 21.11 H new ATOM 0 HB3 GLU A 22 -9.945 31.332 -10.332 1.00 21.11 H new ATOM 0 HG2 GLU A 22 -12.335 32.778 -11.428 1.00 21.38 H new ATOM 0 HG3 GLU A 22 -11.889 31.091 -11.586 1.00 21.38 H new ATOM 357 N ARG A 23 -9.270 32.932 -7.031 1.00 19.67 N ATOM 358 CA ARG A 23 -8.161 32.573 -6.173 1.00 19.08 C ATOM 359 C ARG A 23 -8.035 31.063 -6.180 1.00 18.24 C ATOM 360 O ARG A 23 -7.073 30.501 -5.664 1.00 17.96 O ATOM 361 CB ARG A 23 -8.361 33.082 -4.745 1.00 19.09 C ATOM 362 CG ARG A 23 -9.600 33.937 -4.566 1.00 19.33 C ATOM 363 CD ARG A 23 -10.814 33.085 -4.250 1.00 19.75 C ATOM 364 NE ARG A 23 -11.435 32.554 -5.457 1.00 20.13 N ATOM 365 CZ ARG A 23 -11.479 31.263 -5.751 1.00 20.90 C ATOM 366 NH1 ARG A 23 -10.956 30.373 -4.917 1.00 21.36 N ATOM 367 NH2 ARG A 23 -12.046 30.860 -6.876 1.00 21.30 N ATOM 0 H ARG A 23 -10.034 33.420 -6.563 1.00 19.67 H new ATOM 0 HA ARG A 23 -7.250 33.038 -6.550 1.00 19.08 H new ATOM 0 HB2 ARG A 23 -8.420 32.228 -4.070 1.00 19.09 H new ATOM 0 HB3 ARG A 23 -7.486 33.661 -4.450 1.00 19.09 H new ATOM 0 HG2 ARG A 23 -9.437 34.654 -3.762 1.00 19.33 H new ATOM 0 HG3 ARG A 23 -9.782 34.512 -5.474 1.00 19.33 H new ATOM 0 HD2 ARG A 23 -10.520 32.261 -3.600 1.00 19.75 H new ATOM 0 HD3 ARG A 23 -11.542 33.681 -3.699 1.00 19.75 H new ATOM 0 HE ARG A 23 -11.859 33.212 -6.111 1.00 20.13 H new ATOM 0 HH11 ARG A 23 -10.520 30.683 -4.049 1.00 21.36 H new ATOM 0 HH12 ARG A 23 -10.990 29.379 -5.144 1.00 21.36 H new ATOM 0 HH21 ARG A 23 -12.449 31.543 -7.517 1.00 21.30 H new ATOM 0 HH22 ARG A 23 -12.080 29.866 -7.102 1.00 21.30 H new ATOM 381 N VAL A 24 -9.023 30.415 -6.808 1.00 17.96 N ATOM 382 CA VAL A 24 -9.047 28.973 -6.941 1.00 17.23 C ATOM 383 C VAL A 24 -7.768 28.517 -7.602 1.00 16.44 C ATOM 384 O VAL A 24 -7.406 27.341 -7.544 1.00 16.45 O ATOM 385 CB VAL A 24 -10.263 28.499 -7.763 1.00 17.51 C ATOM 386 CG1 VAL A 24 -9.867 28.122 -9.186 1.00 16.96 C ATOM 387 CG2 VAL A 24 -10.942 27.336 -7.067 1.00 18.40 C ATOM 0 H VAL A 24 -9.822 30.884 -7.234 1.00 17.96 H new ATOM 0 HA VAL A 24 -9.132 28.536 -5.946 1.00 17.23 H new ATOM 0 HB VAL A 24 -10.967 29.328 -7.832 1.00 17.51 H new ATOM 0 HG11 VAL A 24 -10.750 27.793 -9.734 1.00 16.96 H new ATOM 0 HG12 VAL A 24 -9.432 28.988 -9.684 1.00 16.96 H new ATOM 0 HG13 VAL A 24 -9.135 27.314 -9.158 1.00 16.96 H new ATOM 0 HG21 VAL A 24 -11.799 27.010 -7.656 1.00 18.40 H new ATOM 0 HG22 VAL A 24 -10.237 26.511 -6.965 1.00 18.40 H new ATOM 0 HG23 VAL A 24 -11.279 27.650 -6.079 1.00 18.40 H new ATOM 397 N VAL A 25 -7.070 29.483 -8.202 1.00 15.87 N ATOM 398 CA VAL A 25 -5.797 29.227 -8.843 1.00 15.18 C ATOM 399 C VAL A 25 -4.957 28.398 -7.907 1.00 14.49 C ATOM 400 O VAL A 25 -4.083 27.647 -8.326 1.00 14.22 O ATOM 401 CB VAL A 25 -5.064 30.535 -9.161 1.00 15.12 C ATOM 402 CG1 VAL A 25 -5.654 31.179 -10.401 1.00 15.22 C ATOM 403 CG2 VAL A 25 -5.135 31.482 -7.972 1.00 15.32 C ATOM 0 H VAL A 25 -7.376 30.455 -8.253 1.00 15.87 H new ATOM 0 HA VAL A 25 -5.969 28.701 -9.782 1.00 15.18 H new ATOM 0 HB VAL A 25 -4.015 30.313 -9.358 1.00 15.12 H new ATOM 0 HG11 VAL A 25 -5.124 32.107 -10.616 1.00 15.22 H new ATOM 0 HG12 VAL A 25 -5.553 30.499 -11.247 1.00 15.22 H new ATOM 0 HG13 VAL A 25 -6.709 31.394 -10.232 1.00 15.22 H new ATOM 0 HG21 VAL A 25 -4.610 32.407 -8.212 1.00 15.32 H new ATOM 0 HG22 VAL A 25 -6.178 31.704 -7.746 1.00 15.32 H new ATOM 0 HG23 VAL A 25 -4.668 31.014 -7.106 1.00 15.32 H new ATOM 413 N THR A 26 -5.286 28.524 -6.627 1.00 14.33 N ATOM 414 CA THR A 26 -4.635 27.771 -5.590 1.00 13.78 C ATOM 415 C THR A 26 -4.922 26.306 -5.807 1.00 13.06 C ATOM 416 O THR A 26 -5.793 25.733 -5.150 1.00 13.24 O ATOM 417 CB THR A 26 -5.150 28.169 -4.197 1.00 14.30 C ATOM 418 OG1 THR A 26 -5.065 29.587 -4.029 1.00 15.24 O ATOM 419 CG2 THR A 26 -4.357 27.467 -3.108 1.00 14.19 C ATOM 0 H THR A 26 -6.014 29.155 -6.290 1.00 14.33 H new ATOM 0 HA THR A 26 -3.566 27.977 -5.635 1.00 13.78 H new ATOM 0 HB THR A 26 -6.193 27.861 -4.115 1.00 14.30 H new ATOM 0 HG1 THR A 26 -5.798 30.019 -4.516 1.00 15.24 H new ATOM 0 HG21 THR A 26 -4.739 27.764 -2.131 1.00 14.19 H new ATOM 0 HG22 THR A 26 -4.456 26.388 -3.224 1.00 14.19 H new ATOM 0 HG23 THR A 26 -3.306 27.745 -3.186 1.00 14.19 H new ATOM 427 N ALA A 27 -4.200 25.704 -6.741 1.00 12.38 N ATOM 428 CA ALA A 27 -4.389 24.304 -7.039 1.00 11.72 C ATOM 429 C ALA A 27 -4.419 23.538 -5.738 1.00 10.95 C ATOM 430 O ALA A 27 -3.879 24.012 -4.741 1.00 10.49 O ATOM 431 CB ALA A 27 -3.282 23.793 -7.947 1.00 11.52 C ATOM 0 H ALA A 27 -3.483 26.166 -7.300 1.00 12.38 H new ATOM 0 HA ALA A 27 -5.332 24.162 -7.568 1.00 11.72 H new ATOM 0 HB1 ALA A 27 -3.444 22.736 -8.159 1.00 11.52 H new ATOM 0 HB2 ALA A 27 -3.289 24.355 -8.881 1.00 11.52 H new ATOM 0 HB3 ALA A 27 -2.319 23.921 -7.453 1.00 11.52 H new ATOM 437 N PRO A 28 -5.050 22.361 -5.704 1.00 10.96 N ATOM 438 CA PRO A 28 -5.129 21.566 -4.494 1.00 10.40 C ATOM 439 C PRO A 28 -3.819 21.585 -3.727 1.00 9.29 C ATOM 440 O PRO A 28 -3.810 21.426 -2.509 1.00 9.03 O ATOM 441 CB PRO A 28 -5.431 20.149 -5.003 1.00 11.01 C ATOM 442 CG PRO A 28 -5.553 20.253 -6.494 1.00 11.79 C ATOM 443 CD PRO A 28 -5.734 21.707 -6.818 1.00 11.72 C ATOM 0 HA PRO A 28 -5.882 21.944 -3.803 1.00 10.40 H new ATOM 0 HB2 PRO A 28 -4.635 19.458 -4.726 1.00 11.01 H new ATOM 0 HB3 PRO A 28 -6.352 19.766 -4.563 1.00 11.01 H new ATOM 0 HG2 PRO A 28 -4.663 19.857 -6.983 1.00 11.79 H new ATOM 0 HG3 PRO A 28 -6.400 19.669 -6.853 1.00 11.79 H new ATOM 0 HD2 PRO A 28 -5.289 21.968 -7.778 1.00 11.72 H new ATOM 0 HD3 PRO A 28 -6.787 21.985 -6.868 1.00 11.72 H new ATOM 451 N VAL A 29 -2.719 21.779 -4.463 1.00 8.79 N ATOM 452 CA VAL A 29 -1.380 21.809 -3.887 1.00 7.84 C ATOM 453 C VAL A 29 -0.982 20.396 -3.526 1.00 7.19 C ATOM 454 O VAL A 29 0.016 19.874 -4.015 1.00 7.22 O ATOM 455 CB VAL A 29 -1.283 22.711 -2.644 1.00 7.91 C ATOM 456 CG1 VAL A 29 0.097 22.604 -2.021 1.00 7.97 C ATOM 457 CG2 VAL A 29 -1.593 24.154 -3.001 1.00 8.51 C ATOM 0 H VAL A 29 -2.737 21.919 -5.473 1.00 8.79 H new ATOM 0 HA VAL A 29 -0.704 22.230 -4.631 1.00 7.84 H new ATOM 0 HB VAL A 29 -2.021 22.373 -1.917 1.00 7.91 H new ATOM 0 HG11 VAL A 29 0.151 23.248 -1.143 1.00 7.97 H new ATOM 0 HG12 VAL A 29 0.284 21.571 -1.726 1.00 7.97 H new ATOM 0 HG13 VAL A 29 0.849 22.916 -2.746 1.00 7.97 H new ATOM 0 HG21 VAL A 29 -1.519 24.774 -2.108 1.00 8.51 H new ATOM 0 HG22 VAL A 29 -0.880 24.505 -3.747 1.00 8.51 H new ATOM 0 HG23 VAL A 29 -2.603 24.220 -3.405 1.00 8.51 H new ATOM 467 N SER A 30 -1.818 19.756 -2.718 1.00 6.88 N ATOM 468 CA SER A 30 -1.610 18.378 -2.343 1.00 6.51 C ATOM 469 C SER A 30 -1.736 17.533 -3.597 1.00 5.49 C ATOM 470 O SER A 30 -1.498 16.330 -3.590 1.00 5.34 O ATOM 471 CB SER A 30 -2.656 17.948 -1.320 1.00 7.14 C ATOM 472 OG SER A 30 -3.965 18.158 -1.821 1.00 8.11 O ATOM 0 H SER A 30 -2.651 20.181 -2.311 1.00 6.88 H new ATOM 0 HA SER A 30 -0.624 18.253 -1.895 1.00 6.51 H new ATOM 0 HB2 SER A 30 -2.520 16.895 -1.075 1.00 7.14 H new ATOM 0 HB3 SER A 30 -2.521 18.510 -0.396 1.00 7.14 H new ATOM 0 HG SER A 30 -4.621 17.875 -1.151 1.00 8.11 H new ATOM 478 N SER A 31 -2.119 18.207 -4.672 1.00 5.13 N ATOM 479 CA SER A 31 -2.293 17.592 -5.969 1.00 4.45 C ATOM 480 C SER A 31 -1.097 16.731 -6.340 1.00 3.89 C ATOM 481 O SER A 31 0.045 17.186 -6.293 1.00 4.19 O ATOM 482 CB SER A 31 -2.477 18.682 -7.019 1.00 4.99 C ATOM 483 OG SER A 31 -1.787 19.863 -6.643 1.00 5.80 O ATOM 0 H SER A 31 -2.319 19.207 -4.662 1.00 5.13 H new ATOM 0 HA SER A 31 -3.173 16.950 -5.929 1.00 4.45 H new ATOM 0 HB2 SER A 31 -2.109 18.331 -7.983 1.00 4.99 H new ATOM 0 HB3 SER A 31 -3.538 18.899 -7.143 1.00 4.99 H new ATOM 0 HG SER A 31 -1.916 20.550 -7.330 1.00 5.80 H new ATOM 489 N GLY A 32 -1.377 15.492 -6.721 1.00 3.41 N ATOM 490 CA GLY A 32 -0.331 14.571 -7.122 1.00 3.15 C ATOM 491 C GLY A 32 0.765 14.392 -6.090 1.00 2.12 C ATOM 492 O GLY A 32 1.752 13.709 -6.353 1.00 2.44 O ATOM 0 H GLY A 32 -2.320 15.105 -6.760 1.00 3.41 H new ATOM 0 HA2 GLY A 32 -0.778 13.600 -7.333 1.00 3.15 H new ATOM 0 HA3 GLY A 32 0.114 14.926 -8.051 1.00 3.15 H new ATOM 496 N LYS A 33 0.604 14.989 -4.915 1.00 1.50 N ATOM 497 CA LYS A 33 1.607 14.864 -3.865 1.00 0.87 C ATOM 498 C LYS A 33 1.756 13.410 -3.444 1.00 0.73 C ATOM 499 O LYS A 33 2.690 13.050 -2.731 1.00 0.87 O ATOM 500 CB LYS A 33 1.239 15.727 -2.662 1.00 1.50 C ATOM 501 CG LYS A 33 1.468 17.208 -2.894 1.00 2.21 C ATOM 502 CD LYS A 33 2.947 17.537 -2.970 1.00 3.19 C ATOM 503 CE LYS A 33 3.171 19.031 -3.108 1.00 4.16 C ATOM 504 NZ LYS A 33 2.603 19.559 -4.378 1.00 4.98 N ATOM 0 H LYS A 33 -0.204 15.560 -4.667 1.00 1.50 H new ATOM 0 HA LYS A 33 2.561 15.213 -4.261 1.00 0.87 H new ATOM 0 HB2 LYS A 33 0.191 15.563 -2.413 1.00 1.50 H new ATOM 0 HB3 LYS A 33 1.825 15.406 -1.801 1.00 1.50 H new ATOM 0 HG2 LYS A 33 0.979 17.512 -3.819 1.00 2.21 H new ATOM 0 HG3 LYS A 33 1.008 17.779 -2.087 1.00 2.21 H new ATOM 0 HD2 LYS A 33 3.450 17.173 -2.074 1.00 3.19 H new ATOM 0 HD3 LYS A 33 3.394 17.020 -3.819 1.00 3.19 H new ATOM 0 HE2 LYS A 33 2.714 19.547 -2.263 1.00 4.16 H new ATOM 0 HE3 LYS A 33 4.239 19.243 -3.071 1.00 4.16 H new ATOM 0 HZ1 LYS A 33 3.210 20.323 -4.739 1.00 4.98 H new ATOM 0 HZ2 LYS A 33 2.554 18.794 -5.081 1.00 4.98 H new ATOM 0 HZ3 LYS A 33 1.647 19.930 -4.203 1.00 4.98 H new ATOM 518 N ILE A 34 0.828 12.581 -3.902 1.00 0.64 N ATOM 519 CA ILE A 34 0.843 11.161 -3.593 1.00 0.59 C ATOM 520 C ILE A 34 0.801 10.339 -4.877 1.00 0.52 C ATOM 521 O ILE A 34 -0.196 10.345 -5.598 1.00 0.59 O ATOM 522 CB ILE A 34 -0.344 10.781 -2.686 1.00 0.65 C ATOM 523 CG1 ILE A 34 -0.195 11.450 -1.321 1.00 1.10 C ATOM 524 CG2 ILE A 34 -0.443 9.274 -2.528 1.00 1.06 C ATOM 525 CD1 ILE A 34 -1.224 12.527 -1.058 1.00 1.67 C ATOM 0 H ILE A 34 0.050 12.872 -4.494 1.00 0.64 H new ATOM 0 HA ILE A 34 1.768 10.942 -3.059 1.00 0.59 H new ATOM 0 HB ILE A 34 -1.263 11.134 -3.155 1.00 0.65 H new ATOM 0 HG12 ILE A 34 -0.270 10.690 -0.543 1.00 1.10 H new ATOM 0 HG13 ILE A 34 0.801 11.885 -1.246 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -1.288 9.030 -1.884 1.00 1.06 H new ATOM 0 HG22 ILE A 34 -0.588 8.814 -3.506 1.00 1.06 H new ATOM 0 HG23 ILE A 34 0.476 8.894 -2.081 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -1.056 12.957 -0.071 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -1.135 13.307 -1.814 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -2.223 12.094 -1.100 1.00 1.67 H new ATOM 537 N LYS A 35 1.899 9.648 -5.165 1.00 0.50 N ATOM 538 CA LYS A 35 1.995 8.835 -6.373 1.00 0.49 C ATOM 539 C LYS A 35 2.191 7.361 -6.038 1.00 0.44 C ATOM 540 O LYS A 35 3.029 7.009 -5.208 1.00 0.47 O ATOM 541 CB LYS A 35 3.160 9.320 -7.245 1.00 0.59 C ATOM 542 CG LYS A 35 3.598 10.746 -6.953 1.00 0.92 C ATOM 543 CD LYS A 35 3.956 11.491 -8.227 1.00 1.10 C ATOM 544 CE LYS A 35 2.715 12.009 -8.935 1.00 1.08 C ATOM 545 NZ LYS A 35 3.057 12.813 -10.140 1.00 1.27 N ATOM 0 H LYS A 35 2.734 9.634 -4.580 1.00 0.50 H new ATOM 0 HA LYS A 35 1.058 8.942 -6.919 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.010 8.653 -7.102 1.00 0.59 H new ATOM 0 HB3 LYS A 35 2.871 9.247 -8.293 1.00 0.59 H new ATOM 0 HG2 LYS A 35 2.798 11.274 -6.434 1.00 0.92 H new ATOM 0 HG3 LYS A 35 4.458 10.734 -6.284 1.00 0.92 H new ATOM 0 HD2 LYS A 35 4.616 12.325 -7.989 1.00 1.10 H new ATOM 0 HD3 LYS A 35 4.508 10.829 -8.894 1.00 1.10 H new ATOM 0 HE2 LYS A 35 2.086 11.168 -9.227 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.132 12.619 -8.245 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 2.184 13.090 -10.632 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 3.578 13.666 -9.852 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 3.649 12.245 -10.780 1.00 1.27 H new ATOM 559 N ARG A 36 1.426 6.501 -6.704 1.00 0.52 N ATOM 560 CA ARG A 36 1.532 5.061 -6.493 1.00 0.53 C ATOM 561 C ARG A 36 2.686 4.507 -7.318 1.00 0.56 C ATOM 562 O ARG A 36 3.247 5.216 -8.154 1.00 0.76 O ATOM 563 CB ARG A 36 0.227 4.365 -6.879 1.00 0.64 C ATOM 564 CG ARG A 36 -0.937 4.708 -5.965 1.00 1.17 C ATOM 565 CD ARG A 36 -1.746 5.870 -6.510 1.00 1.51 C ATOM 566 NE ARG A 36 -2.233 5.607 -7.859 1.00 2.02 N ATOM 567 CZ ARG A 36 -2.935 6.482 -8.570 1.00 2.75 C ATOM 568 NH1 ARG A 36 -3.229 7.669 -8.060 1.00 2.99 N ATOM 569 NH2 ARG A 36 -3.345 6.169 -9.790 1.00 3.65 N ATOM 0 H ARG A 36 0.727 6.776 -7.394 1.00 0.52 H new ATOM 0 HA ARG A 36 1.722 4.872 -5.436 1.00 0.53 H new ATOM 0 HB2 ARG A 36 -0.032 4.638 -7.902 1.00 0.64 H new ATOM 0 HB3 ARG A 36 0.383 3.286 -6.867 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -1.581 3.836 -5.851 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -0.561 4.958 -4.973 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -2.591 6.065 -5.850 1.00 1.51 H new ATOM 0 HD3 ARG A 36 -1.131 6.770 -6.515 1.00 1.51 H new ATOM 0 HE ARG A 36 -2.023 4.702 -8.280 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -2.916 7.912 -7.120 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -3.768 8.340 -8.607 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -3.122 5.255 -10.184 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -3.884 6.842 -10.335 1.00 3.65 H new ATOM 583 N VAL A 37 3.052 3.250 -7.087 1.00 0.49 N ATOM 584 CA VAL A 37 4.153 2.656 -7.832 1.00 0.56 C ATOM 585 C VAL A 37 3.954 1.161 -8.090 1.00 0.53 C ATOM 586 O VAL A 37 4.310 0.671 -9.157 1.00 0.55 O ATOM 587 CB VAL A 37 5.503 2.900 -7.117 1.00 0.69 C ATOM 588 CG1 VAL A 37 5.795 1.817 -6.090 1.00 1.04 C ATOM 589 CG2 VAL A 37 6.632 2.997 -8.131 1.00 1.26 C ATOM 0 H VAL A 37 2.611 2.634 -6.403 1.00 0.49 H new ATOM 0 HA VAL A 37 4.169 3.152 -8.803 1.00 0.56 H new ATOM 0 HB VAL A 37 5.430 3.848 -6.584 1.00 0.69 H new ATOM 0 HG11 VAL A 37 6.751 2.021 -5.608 1.00 1.04 H new ATOM 0 HG12 VAL A 37 5.005 1.805 -5.339 1.00 1.04 H new ATOM 0 HG13 VAL A 37 5.839 0.847 -6.586 1.00 1.04 H new ATOM 0 HG21 VAL A 37 7.574 3.169 -7.611 1.00 1.26 H new ATOM 0 HG22 VAL A 37 6.694 2.067 -8.697 1.00 1.26 H new ATOM 0 HG23 VAL A 37 6.438 3.825 -8.813 1.00 1.26 H new ATOM 599 N ASN A 38 3.389 0.440 -7.120 1.00 0.55 N ATOM 600 CA ASN A 38 3.161 -1.001 -7.269 1.00 0.56 C ATOM 601 C ASN A 38 4.474 -1.731 -7.558 1.00 0.49 C ATOM 602 O ASN A 38 4.995 -1.675 -8.672 1.00 0.57 O ATOM 603 CB ASN A 38 2.155 -1.271 -8.391 1.00 0.74 C ATOM 604 CG ASN A 38 1.917 -2.752 -8.610 1.00 0.81 C ATOM 605 OD1 ASN A 38 2.646 -3.406 -9.356 1.00 1.53 O ATOM 606 ND2 ASN A 38 0.891 -3.289 -7.961 1.00 1.00 N ATOM 0 H ASN A 38 3.082 0.826 -6.227 1.00 0.55 H new ATOM 0 HA ASN A 38 2.753 -1.377 -6.331 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.209 -0.785 -8.152 1.00 0.74 H new ATOM 0 HB3 ASN A 38 2.518 -0.823 -9.316 1.00 0.74 H new ATOM 0 HD21 ASN A 38 0.681 -4.281 -8.071 1.00 1.00 H new ATOM 0 HD22 ASN A 38 0.313 -2.710 -7.353 1.00 1.00 H new ATOM 613 N VAL A 39 5.011 -2.408 -6.547 1.00 0.41 N ATOM 614 CA VAL A 39 6.273 -3.127 -6.703 1.00 0.44 C ATOM 615 C VAL A 39 6.101 -4.635 -6.555 1.00 0.42 C ATOM 616 O VAL A 39 5.038 -5.123 -6.170 1.00 0.48 O ATOM 617 CB VAL A 39 7.318 -2.653 -5.676 1.00 0.61 C ATOM 618 CG1 VAL A 39 8.719 -2.746 -6.262 1.00 1.24 C ATOM 619 CG2 VAL A 39 7.019 -1.236 -5.215 1.00 0.63 C ATOM 0 H VAL A 39 4.596 -2.474 -5.617 1.00 0.41 H new ATOM 0 HA VAL A 39 6.619 -2.908 -7.713 1.00 0.44 H new ATOM 0 HB VAL A 39 7.265 -3.308 -4.806 1.00 0.61 H new ATOM 0 HG11 VAL A 39 9.446 -2.407 -5.523 1.00 1.24 H new ATOM 0 HG12 VAL A 39 8.932 -3.780 -6.533 1.00 1.24 H new ATOM 0 HG13 VAL A 39 8.784 -2.117 -7.150 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.770 -0.923 -4.490 1.00 0.63 H new ATOM 0 HG22 VAL A 39 7.039 -0.563 -6.072 1.00 0.63 H new ATOM 0 HG23 VAL A 39 6.033 -1.205 -4.752 1.00 0.63 H new ATOM 629 N ASN A 40 7.174 -5.363 -6.862 1.00 0.46 N ATOM 630 CA ASN A 40 7.185 -6.817 -6.767 1.00 0.51 C ATOM 631 C ASN A 40 8.162 -7.267 -5.686 1.00 0.44 C ATOM 632 O ASN A 40 9.349 -6.941 -5.740 1.00 0.56 O ATOM 633 CB ASN A 40 7.584 -7.431 -8.111 1.00 0.67 C ATOM 634 CG ASN A 40 6.492 -8.298 -8.704 1.00 1.45 C ATOM 635 OD1 ASN A 40 5.930 -9.158 -8.027 1.00 2.02 O ATOM 636 ND2 ASN A 40 6.189 -8.077 -9.977 1.00 2.13 N ATOM 0 H ASN A 40 8.055 -4.961 -7.182 1.00 0.46 H new ATOM 0 HA ASN A 40 6.183 -7.155 -6.504 1.00 0.51 H new ATOM 0 HB2 ASN A 40 7.830 -6.633 -8.812 1.00 0.67 H new ATOM 0 HB3 ASN A 40 8.486 -8.029 -7.979 1.00 0.67 H new ATOM 0 HD21 ASN A 40 5.464 -8.631 -10.432 1.00 2.13 H new ATOM 0 HD22 ASN A 40 6.681 -7.353 -10.500 1.00 2.13 H new ATOM 643 N PHE A 41 7.664 -8.009 -4.703 1.00 0.40 N ATOM 644 CA PHE A 41 8.505 -8.490 -3.612 1.00 0.45 C ATOM 645 C PHE A 41 8.623 -10.008 -3.629 1.00 0.45 C ATOM 646 O PHE A 41 7.628 -10.719 -3.760 1.00 0.56 O ATOM 647 CB PHE A 41 7.946 -8.027 -2.264 1.00 0.62 C ATOM 648 CG PHE A 41 7.943 -6.534 -2.086 1.00 0.54 C ATOM 649 CD1 PHE A 41 8.980 -5.756 -2.578 1.00 0.98 C ATOM 650 CD2 PHE A 41 6.902 -5.910 -1.421 1.00 1.14 C ATOM 651 CE1 PHE A 41 8.975 -4.386 -2.412 1.00 1.10 C ATOM 652 CE2 PHE A 41 6.892 -4.539 -1.251 1.00 1.16 C ATOM 653 CZ PHE A 41 7.930 -3.775 -1.746 1.00 0.75 C ATOM 0 H PHE A 41 6.686 -8.290 -4.639 1.00 0.40 H new ATOM 0 HA PHE A 41 9.501 -8.069 -3.752 1.00 0.45 H new ATOM 0 HB2 PHE A 41 6.926 -8.398 -2.158 1.00 0.62 H new ATOM 0 HB3 PHE A 41 8.534 -8.477 -1.464 1.00 0.62 H new ATOM 0 HD1 PHE A 41 9.801 -6.228 -3.097 1.00 0.98 H new ATOM 0 HD2 PHE A 41 6.088 -6.502 -1.030 1.00 1.14 H new ATOM 0 HE1 PHE A 41 9.788 -3.792 -2.803 1.00 1.10 H new ATOM 0 HE2 PHE A 41 6.073 -4.065 -0.731 1.00 1.16 H new ATOM 0 HZ PHE A 41 7.925 -2.703 -1.613 1.00 0.75 H new ATOM 663 N ASP A 42 9.850 -10.495 -3.485 1.00 0.45 N ATOM 664 CA ASP A 42 10.110 -11.928 -3.472 1.00 0.47 C ATOM 665 C ASP A 42 9.409 -12.586 -2.286 1.00 0.40 C ATOM 666 O ASP A 42 9.111 -11.924 -1.292 1.00 0.35 O ATOM 667 CB ASP A 42 11.619 -12.184 -3.407 1.00 0.62 C ATOM 668 CG ASP A 42 11.956 -13.645 -3.192 1.00 0.70 C ATOM 669 OD1 ASP A 42 11.554 -14.477 -4.030 1.00 1.35 O ATOM 670 OD2 ASP A 42 12.625 -13.955 -2.185 1.00 1.38 O ATOM 0 H ASP A 42 10.682 -9.916 -3.375 1.00 0.45 H new ATOM 0 HA ASP A 42 9.717 -12.365 -4.390 1.00 0.47 H new ATOM 0 HB2 ASP A 42 12.082 -11.841 -4.333 1.00 0.62 H new ATOM 0 HB3 ASP A 42 12.049 -11.593 -2.598 1.00 0.62 H new ATOM 675 N GLU A 43 9.148 -13.887 -2.395 1.00 0.46 N ATOM 676 CA GLU A 43 8.481 -14.626 -1.326 1.00 0.48 C ATOM 677 C GLU A 43 9.217 -14.439 -0.005 1.00 0.40 C ATOM 678 O GLU A 43 8.598 -14.278 1.045 1.00 0.42 O ATOM 679 CB GLU A 43 8.410 -16.116 -1.671 1.00 0.65 C ATOM 680 CG GLU A 43 6.992 -16.658 -1.739 1.00 1.08 C ATOM 681 CD GLU A 43 6.359 -16.823 -0.373 1.00 1.04 C ATOM 682 OE1 GLU A 43 6.520 -17.905 0.230 1.00 1.45 O ATOM 683 OE2 GLU A 43 5.701 -15.871 0.095 1.00 1.28 O ATOM 0 H GLU A 43 9.388 -14.450 -3.211 1.00 0.46 H new ATOM 0 HA GLU A 43 7.469 -14.235 -1.224 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.900 -16.282 -2.631 1.00 0.65 H new ATOM 0 HB3 GLU A 43 8.970 -16.680 -0.925 1.00 0.65 H new ATOM 0 HG2 GLU A 43 6.379 -15.985 -2.339 1.00 1.08 H new ATOM 0 HG3 GLU A 43 7.000 -17.621 -2.249 1.00 1.08 H new ATOM 690 N GLU A 44 10.541 -14.460 -0.073 1.00 0.38 N ATOM 691 CA GLU A 44 11.376 -14.293 1.108 1.00 0.42 C ATOM 692 C GLU A 44 11.265 -12.874 1.658 1.00 0.37 C ATOM 693 O GLU A 44 11.279 -12.663 2.871 1.00 0.43 O ATOM 694 CB GLU A 44 12.834 -14.608 0.765 1.00 0.52 C ATOM 695 CG GLU A 44 13.799 -14.386 1.916 1.00 0.60 C ATOM 696 CD GLU A 44 14.215 -15.681 2.582 1.00 1.56 C ATOM 697 OE1 GLU A 44 14.587 -16.627 1.857 1.00 2.34 O ATOM 698 OE2 GLU A 44 14.167 -15.750 3.826 1.00 2.19 O ATOM 0 H GLU A 44 11.062 -14.592 -0.940 1.00 0.38 H new ATOM 0 HA GLU A 44 11.028 -14.985 1.875 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.904 -15.646 0.440 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.141 -13.989 -0.078 1.00 0.52 H new ATOM 0 HG2 GLU A 44 14.685 -13.869 1.548 1.00 0.60 H new ATOM 0 HG3 GLU A 44 13.334 -13.734 2.655 1.00 0.60 H new ATOM 705 N LYS A 45 11.160 -11.904 0.755 1.00 0.32 N ATOM 706 CA LYS A 45 11.054 -10.503 1.144 1.00 0.35 C ATOM 707 C LYS A 45 9.688 -10.197 1.751 1.00 0.30 C ATOM 708 O LYS A 45 9.558 -9.301 2.585 1.00 0.35 O ATOM 709 CB LYS A 45 11.298 -9.597 -0.066 1.00 0.39 C ATOM 710 CG LYS A 45 12.736 -9.611 -0.558 1.00 0.56 C ATOM 711 CD LYS A 45 13.488 -8.366 -0.114 1.00 0.68 C ATOM 712 CE LYS A 45 14.213 -7.706 -1.276 1.00 1.04 C ATOM 713 NZ LYS A 45 15.204 -8.621 -1.909 1.00 1.09 N ATOM 0 H LYS A 45 11.146 -12.063 -0.252 1.00 0.32 H new ATOM 0 HA LYS A 45 11.815 -10.309 1.900 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.642 -9.907 -0.879 1.00 0.39 H new ATOM 0 HB3 LYS A 45 11.022 -8.575 0.195 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.243 -10.498 -0.179 1.00 0.56 H new ATOM 0 HG3 LYS A 45 12.749 -9.677 -1.646 1.00 0.56 H new ATOM 0 HD2 LYS A 45 12.789 -7.657 0.329 1.00 0.68 H new ATOM 0 HD3 LYS A 45 14.207 -8.632 0.661 1.00 0.68 H new ATOM 0 HE2 LYS A 45 13.486 -7.387 -2.023 1.00 1.04 H new ATOM 0 HE3 LYS A 45 14.722 -6.809 -0.923 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 15.310 -8.376 -2.914 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 16.122 -8.523 -1.430 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 14.873 -9.603 -1.825 1.00 1.09 H new ATOM 727 N HIS A 46 8.670 -10.939 1.323 1.00 0.28 N ATOM 728 CA HIS A 46 7.315 -10.736 1.823 1.00 0.31 C ATOM 729 C HIS A 46 7.109 -11.426 3.166 1.00 0.32 C ATOM 730 O HIS A 46 6.455 -10.883 4.057 1.00 0.34 O ATOM 731 CB HIS A 46 6.287 -11.245 0.811 1.00 0.38 C ATOM 732 CG HIS A 46 4.995 -10.491 0.853 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.810 -11.049 1.282 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.707 -9.209 0.525 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.850 -10.144 1.217 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.369 -9.018 0.761 1.00 0.58 N ATOM 0 H HIS A 46 8.758 -11.685 0.633 1.00 0.28 H new ATOM 0 HA HIS A 46 7.174 -9.665 1.966 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.709 -11.175 -0.192 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.091 -12.300 1.002 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.402 -8.473 0.148 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.817 -10.298 1.490 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.858 -8.148 0.609 1.00 0.58 H new ATOM 745 N THR A 47 7.669 -12.623 3.310 1.00 0.33 N ATOM 746 CA THR A 47 7.542 -13.376 4.552 1.00 0.40 C ATOM 747 C THR A 47 8.168 -12.612 5.710 1.00 0.39 C ATOM 748 O THR A 47 7.600 -12.540 6.800 1.00 0.43 O ATOM 749 CB THR A 47 8.202 -14.763 4.448 1.00 0.47 C ATOM 750 OG1 THR A 47 7.774 -15.424 3.251 1.00 0.72 O ATOM 751 CG2 THR A 47 7.848 -15.618 5.655 1.00 0.60 C ATOM 0 H THR A 47 8.213 -13.091 2.585 1.00 0.33 H new ATOM 0 HA THR A 47 6.476 -13.511 4.734 1.00 0.40 H new ATOM 0 HB THR A 47 9.283 -14.625 4.419 1.00 0.47 H new ATOM 0 HG1 THR A 47 8.351 -15.157 2.505 1.00 0.72 H new ATOM 0 HG21 THR A 47 8.324 -16.594 5.562 1.00 0.60 H new ATOM 0 HG22 THR A 47 8.199 -15.128 6.563 1.00 0.60 H new ATOM 0 HG23 THR A 47 6.767 -15.745 5.706 1.00 0.60 H new ATOM 759 N ARG A 48 9.341 -12.036 5.464 1.00 0.35 N ATOM 760 CA ARG A 48 10.042 -11.269 6.484 1.00 0.38 C ATOM 761 C ARG A 48 9.435 -9.877 6.614 1.00 0.34 C ATOM 762 O ARG A 48 9.672 -9.174 7.595 1.00 0.38 O ATOM 763 CB ARG A 48 11.530 -11.166 6.147 1.00 0.42 C ATOM 764 CG ARG A 48 12.425 -11.157 7.375 1.00 0.73 C ATOM 765 CD ARG A 48 13.786 -10.556 7.067 1.00 0.80 C ATOM 766 NE ARG A 48 14.713 -11.546 6.529 1.00 0.90 N ATOM 767 CZ ARG A 48 15.377 -12.417 7.280 1.00 1.43 C ATOM 768 NH1 ARG A 48 15.214 -12.427 8.596 1.00 1.83 N ATOM 769 NH2 ARG A 48 16.207 -13.282 6.715 1.00 1.87 N ATOM 0 H ARG A 48 9.824 -12.087 4.567 1.00 0.35 H new ATOM 0 HA ARG A 48 9.935 -11.787 7.437 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.810 -12.004 5.508 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.703 -10.256 5.573 1.00 0.42 H new ATOM 0 HG2 ARG A 48 11.946 -10.587 8.171 1.00 0.73 H new ATOM 0 HG3 ARG A 48 12.550 -12.175 7.743 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.669 -9.742 6.351 1.00 0.80 H new ATOM 0 HD3 ARG A 48 14.205 -10.123 7.976 1.00 0.80 H new ATOM 0 HE ARG A 48 14.859 -11.570 5.520 1.00 0.90 H new ATOM 0 HH11 ARG A 48 14.576 -11.764 9.036 1.00 1.83 H new ATOM 0 HH12 ARG A 48 15.726 -13.098 9.168 1.00 1.83 H new ATOM 0 HH21 ARG A 48 16.336 -13.279 5.703 1.00 1.87 H new ATOM 0 HH22 ARG A 48 16.717 -13.951 7.292 1.00 1.87 H new ATOM 783 N PHE A 49 8.643 -9.490 5.619 1.00 0.32 N ATOM 784 CA PHE A 49 7.992 -8.186 5.622 1.00 0.32 C ATOM 785 C PHE A 49 6.892 -8.143 6.676 1.00 0.36 C ATOM 786 O PHE A 49 6.803 -7.198 7.457 1.00 0.39 O ATOM 787 CB PHE A 49 7.405 -7.884 4.242 1.00 0.33 C ATOM 788 CG PHE A 49 7.720 -6.504 3.730 1.00 0.39 C ATOM 789 CD1 PHE A 49 9.023 -6.031 3.722 1.00 0.85 C ATOM 790 CD2 PHE A 49 6.711 -5.685 3.251 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.313 -4.766 3.245 1.00 0.94 C ATOM 792 CE2 PHE A 49 6.994 -4.419 2.774 1.00 0.92 C ATOM 793 CZ PHE A 49 8.297 -3.960 2.771 1.00 0.67 C ATOM 0 H PHE A 49 8.437 -10.062 4.800 1.00 0.32 H new ATOM 0 HA PHE A 49 8.738 -7.428 5.863 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.781 -8.619 3.530 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.323 -8.006 4.284 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.821 -6.658 4.093 1.00 0.85 H new ATOM 0 HD2 PHE A 49 5.691 -6.040 3.250 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.332 -4.409 3.243 1.00 0.94 H new ATOM 0 HE2 PHE A 49 6.198 -3.790 2.404 1.00 0.92 H new ATOM 0 HZ PHE A 49 8.521 -2.971 2.398 1.00 0.67 H new ATOM 803 N LYS A 50 6.057 -9.178 6.691 1.00 0.39 N ATOM 804 CA LYS A 50 4.961 -9.263 7.649 1.00 0.45 C ATOM 805 C LYS A 50 5.485 -9.576 9.046 1.00 0.42 C ATOM 806 O LYS A 50 4.954 -9.088 10.043 1.00 0.42 O ATOM 807 CB LYS A 50 3.961 -10.337 7.220 1.00 0.54 C ATOM 808 CG LYS A 50 3.419 -10.141 5.814 1.00 0.93 C ATOM 809 CD LYS A 50 1.926 -10.420 5.750 1.00 1.47 C ATOM 810 CE LYS A 50 1.644 -11.902 5.572 1.00 1.37 C ATOM 811 NZ LYS A 50 1.102 -12.517 6.815 1.00 2.17 N ATOM 0 H LYS A 50 6.119 -9.969 6.050 1.00 0.39 H new ATOM 0 HA LYS A 50 4.459 -8.296 7.673 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.441 -11.313 7.282 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.128 -10.347 7.923 1.00 0.54 H new ATOM 0 HG2 LYS A 50 3.614 -9.120 5.487 1.00 0.93 H new ATOM 0 HG3 LYS A 50 3.944 -10.802 5.125 1.00 0.93 H new ATOM 0 HD2 LYS A 50 1.449 -10.065 6.663 1.00 1.47 H new ATOM 0 HD3 LYS A 50 1.486 -9.863 4.923 1.00 1.47 H new ATOM 0 HE2 LYS A 50 0.932 -12.041 4.758 1.00 1.37 H new ATOM 0 HE3 LYS A 50 2.562 -12.414 5.284 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 0.923 -13.528 6.652 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 1.791 -12.407 7.586 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 0.213 -12.046 7.076 1.00 2.17 H new ATOM 825 N ALA A 51 6.528 -10.396 9.110 1.00 0.43 N ATOM 826 CA ALA A 51 7.121 -10.776 10.386 1.00 0.46 C ATOM 827 C ALA A 51 7.774 -9.577 11.067 1.00 0.44 C ATOM 828 O ALA A 51 7.505 -9.292 12.234 1.00 0.47 O ATOM 829 CB ALA A 51 8.137 -11.889 10.183 1.00 0.53 C ATOM 0 H ALA A 51 6.980 -10.810 8.294 1.00 0.43 H new ATOM 0 HA ALA A 51 6.325 -11.139 11.036 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.573 -12.164 11.144 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.643 -12.757 9.747 1.00 0.53 H new ATOM 0 HB3 ALA A 51 8.925 -11.545 9.513 1.00 0.53 H new ATOM 835 N ALA A 52 8.637 -8.884 10.331 1.00 0.46 N ATOM 836 CA ALA A 52 9.334 -7.718 10.862 1.00 0.53 C ATOM 837 C ALA A 52 8.363 -6.591 11.194 1.00 0.53 C ATOM 838 O ALA A 52 8.473 -5.956 12.244 1.00 0.65 O ATOM 839 CB ALA A 52 10.384 -7.235 9.874 1.00 0.58 C ATOM 0 H ALA A 52 8.871 -9.110 9.364 1.00 0.46 H new ATOM 0 HA ALA A 52 9.827 -8.017 11.787 1.00 0.53 H new ATOM 0 HB1 ALA A 52 10.896 -6.364 10.284 1.00 0.58 H new ATOM 0 HB2 ALA A 52 11.108 -8.030 9.694 1.00 0.58 H new ATOM 0 HB3 ALA A 52 9.902 -6.964 8.935 1.00 0.58 H new ATOM 845 N CYS A 53 7.415 -6.344 10.294 1.00 0.48 N ATOM 846 CA CYS A 53 6.429 -5.287 10.498 1.00 0.56 C ATOM 847 C CYS A 53 5.568 -5.575 11.723 1.00 0.49 C ATOM 848 O CYS A 53 5.195 -4.662 12.458 1.00 0.53 O ATOM 849 CB CYS A 53 5.549 -5.127 9.253 1.00 0.68 C ATOM 850 SG CYS A 53 4.009 -6.072 9.297 1.00 1.29 S ATOM 0 H CYS A 53 7.309 -6.859 9.420 1.00 0.48 H new ATOM 0 HA CYS A 53 6.964 -4.353 10.670 1.00 0.56 H new ATOM 0 HB2 CYS A 53 5.309 -4.071 9.126 1.00 0.68 H new ATOM 0 HB3 CYS A 53 6.122 -5.431 8.377 1.00 0.68 H new ATOM 0 HG CYS A 53 4.267 -7.307 9.609 1.00 1.29 H new ATOM 856 N ALA A 54 5.259 -6.848 11.941 1.00 0.45 N ATOM 857 CA ALA A 54 4.446 -7.251 13.082 1.00 0.52 C ATOM 858 C ALA A 54 5.199 -7.034 14.390 1.00 0.53 C ATOM 859 O ALA A 54 4.593 -6.880 15.451 1.00 0.63 O ATOM 860 CB ALA A 54 4.030 -8.708 12.946 1.00 0.63 C ATOM 0 H ALA A 54 5.559 -7.618 11.343 1.00 0.45 H new ATOM 0 HA ALA A 54 3.550 -6.630 13.098 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.424 -8.995 13.805 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.449 -8.837 12.033 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.919 -9.338 12.903 1.00 0.63 H new ATOM 866 N ARG A 55 6.526 -7.022 14.304 1.00 0.53 N ATOM 867 CA ARG A 55 7.371 -6.827 15.477 1.00 0.66 C ATOM 868 C ARG A 55 7.474 -5.350 15.844 1.00 0.65 C ATOM 869 O ARG A 55 7.418 -4.987 17.018 1.00 0.75 O ATOM 870 CB ARG A 55 8.769 -7.389 15.219 1.00 0.77 C ATOM 871 CG ARG A 55 8.847 -8.902 15.320 1.00 1.38 C ATOM 872 CD ARG A 55 10.186 -9.420 14.828 1.00 1.87 C ATOM 873 NE ARG A 55 11.304 -8.810 15.543 1.00 2.37 N ATOM 874 CZ ARG A 55 12.480 -9.402 15.712 1.00 2.79 C ATOM 875 NH1 ARG A 55 12.693 -10.613 15.218 1.00 2.91 N ATOM 876 NH2 ARG A 55 13.446 -8.784 16.376 1.00 3.58 N ATOM 0 H ARG A 55 7.040 -7.145 13.432 1.00 0.53 H new ATOM 0 HA ARG A 55 6.912 -7.359 16.311 1.00 0.66 H new ATOM 0 HB2 ARG A 55 9.096 -7.083 14.225 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.465 -6.950 15.934 1.00 0.77 H new ATOM 0 HG2 ARG A 55 8.695 -9.208 16.355 1.00 1.38 H new ATOM 0 HG3 ARG A 55 8.044 -9.349 14.734 1.00 1.38 H new ATOM 0 HD2 ARG A 55 10.224 -10.502 14.952 1.00 1.87 H new ATOM 0 HD3 ARG A 55 10.284 -9.217 13.761 1.00 1.87 H new ATOM 0 HE ARG A 55 11.174 -7.877 15.934 1.00 2.37 H new ATOM 0 HH11 ARG A 55 11.952 -11.093 14.706 1.00 2.91 H new ATOM 0 HH12 ARG A 55 13.598 -11.066 15.349 1.00 2.91 H new ATOM 0 HH21 ARG A 55 13.287 -7.852 16.758 1.00 3.58 H new ATOM 0 HH22 ARG A 55 14.349 -9.240 16.505 1.00 3.58 H new ATOM 890 N LYS A 56 7.635 -4.504 14.832 1.00 0.59 N ATOM 891 CA LYS A 56 7.758 -3.065 15.048 1.00 0.64 C ATOM 892 C LYS A 56 6.387 -2.400 15.120 1.00 0.54 C ATOM 893 O LYS A 56 6.287 -1.191 15.332 1.00 0.67 O ATOM 894 CB LYS A 56 8.584 -2.430 13.929 1.00 0.71 C ATOM 895 CG LYS A 56 9.948 -3.073 13.738 1.00 1.15 C ATOM 896 CD LYS A 56 10.469 -2.861 12.327 1.00 1.46 C ATOM 897 CE LYS A 56 11.595 -1.840 12.298 1.00 2.01 C ATOM 898 NZ LYS A 56 12.661 -2.161 13.287 1.00 2.32 N ATOM 0 H LYS A 56 7.683 -4.789 13.854 1.00 0.59 H new ATOM 0 HA LYS A 56 8.265 -2.911 16.001 1.00 0.64 H new ATOM 0 HB2 LYS A 56 8.026 -2.497 12.995 1.00 0.71 H new ATOM 0 HB3 LYS A 56 8.719 -1.370 14.145 1.00 0.71 H new ATOM 0 HG2 LYS A 56 10.653 -2.653 14.455 1.00 1.15 H new ATOM 0 HG3 LYS A 56 9.881 -4.141 13.946 1.00 1.15 H new ATOM 0 HD2 LYS A 56 10.825 -3.809 11.923 1.00 1.46 H new ATOM 0 HD3 LYS A 56 9.655 -2.526 11.684 1.00 1.46 H new ATOM 0 HE2 LYS A 56 12.027 -1.804 11.298 1.00 2.01 H new ATOM 0 HE3 LYS A 56 11.192 -0.849 12.507 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 13.587 -1.891 12.899 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 12.488 -1.635 14.167 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 12.653 -3.182 13.487 1.00 2.32 H new ATOM 912 N GLY A 57 5.336 -3.193 14.940 1.00 0.48 N ATOM 913 CA GLY A 57 3.989 -2.656 14.986 1.00 0.47 C ATOM 914 C GLY A 57 3.749 -1.624 13.901 1.00 0.51 C ATOM 915 O GLY A 57 3.234 -0.538 14.168 1.00 0.58 O ATOM 0 H GLY A 57 5.393 -4.196 14.763 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.271 -3.469 14.878 1.00 0.47 H new ATOM 0 HA3 GLY A 57 3.813 -2.203 15.962 1.00 0.47 H new ATOM 919 N THR A 58 4.132 -1.966 12.676 1.00 0.59 N ATOM 920 CA THR A 58 3.968 -1.068 11.540 1.00 0.73 C ATOM 921 C THR A 58 3.173 -1.730 10.422 1.00 0.56 C ATOM 922 O THR A 58 3.330 -2.922 10.156 1.00 0.53 O ATOM 923 CB THR A 58 5.335 -0.627 10.982 1.00 1.06 C ATOM 924 OG1 THR A 58 6.202 -0.247 12.056 1.00 2.01 O ATOM 925 CG2 THR A 58 5.179 0.536 10.015 1.00 0.61 C ATOM 0 H THR A 58 4.560 -2.862 12.444 1.00 0.59 H new ATOM 0 HA THR A 58 3.423 -0.196 11.901 1.00 0.73 H new ATOM 0 HB THR A 58 5.770 -1.469 10.443 1.00 1.06 H new ATOM 0 HG1 THR A 58 7.069 0.030 11.694 1.00 2.01 H new ATOM 0 HG21 THR A 58 6.158 0.828 9.636 1.00 0.61 H new ATOM 0 HG22 THR A 58 4.543 0.234 9.183 1.00 0.61 H new ATOM 0 HG23 THR A 58 4.724 1.381 10.532 1.00 0.61 H new ATOM 933 N SER A 59 2.322 -0.948 9.765 1.00 0.55 N ATOM 934 CA SER A 59 1.507 -1.457 8.668 1.00 0.50 C ATOM 935 C SER A 59 2.390 -1.852 7.490 1.00 0.44 C ATOM 936 O SER A 59 3.395 -1.197 7.217 1.00 0.43 O ATOM 937 CB SER A 59 0.488 -0.405 8.229 1.00 0.61 C ATOM 938 OG SER A 59 0.246 0.532 9.263 1.00 0.72 O ATOM 0 H SER A 59 2.179 0.040 9.973 1.00 0.55 H new ATOM 0 HA SER A 59 0.972 -2.340 9.017 1.00 0.50 H new ATOM 0 HB2 SER A 59 0.854 0.113 7.343 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.446 -0.893 7.950 1.00 0.61 H new ATOM 0 HG SER A 59 -0.408 1.195 8.957 1.00 0.72 H new ATOM 944 N ILE A 60 2.015 -2.927 6.802 1.00 0.46 N ATOM 945 CA ILE A 60 2.783 -3.411 5.659 1.00 0.50 C ATOM 946 C ILE A 60 3.027 -2.301 4.638 1.00 0.47 C ATOM 947 O ILE A 60 4.065 -2.274 3.975 1.00 0.50 O ATOM 948 CB ILE A 60 2.077 -4.598 4.972 1.00 0.61 C ATOM 949 CG1 ILE A 60 3.011 -5.259 3.956 1.00 0.99 C ATOM 950 CG2 ILE A 60 0.789 -4.146 4.298 1.00 1.01 C ATOM 951 CD1 ILE A 60 2.982 -6.770 4.006 1.00 0.96 C ATOM 0 H ILE A 60 1.184 -3.479 7.016 1.00 0.46 H new ATOM 0 HA ILE A 60 3.745 -3.748 6.045 1.00 0.50 H new ATOM 0 HB ILE A 60 1.820 -5.331 5.736 1.00 0.61 H new ATOM 0 HG12 ILE A 60 2.736 -4.931 2.954 1.00 0.99 H new ATOM 0 HG13 ILE A 60 4.030 -4.917 4.135 1.00 0.99 H new ATOM 0 HG21 ILE A 60 0.309 -5.000 3.820 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.117 -3.723 5.044 1.00 1.01 H new ATOM 0 HG23 ILE A 60 1.018 -3.391 3.546 1.00 1.01 H new ATOM 0 HD11 ILE A 60 3.667 -7.172 3.260 1.00 0.96 H new ATOM 0 HD12 ILE A 60 3.286 -7.107 4.997 1.00 0.96 H new ATOM 0 HD13 ILE A 60 1.972 -7.122 3.798 1.00 0.96 H new ATOM 963 N THR A 61 2.070 -1.385 4.520 1.00 0.45 N ATOM 964 CA THR A 61 2.188 -0.274 3.585 1.00 0.45 C ATOM 965 C THR A 61 3.163 0.775 4.107 1.00 0.42 C ATOM 966 O THR A 61 3.957 1.333 3.348 1.00 0.41 O ATOM 967 CB THR A 61 0.826 0.392 3.327 1.00 0.51 C ATOM 968 OG1 THR A 61 -0.227 -0.563 3.494 1.00 0.68 O ATOM 969 CG2 THR A 61 0.767 0.978 1.924 1.00 0.77 C ATOM 0 H THR A 61 1.205 -1.391 5.061 1.00 0.45 H new ATOM 0 HA THR A 61 2.563 -0.686 2.648 1.00 0.45 H new ATOM 0 HB THR A 61 0.700 1.200 4.048 1.00 0.51 H new ATOM 0 HG1 THR A 61 -1.091 -0.130 3.330 1.00 0.68 H new ATOM 0 HG21 THR A 61 -0.206 1.444 1.765 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.551 1.727 1.809 1.00 0.77 H new ATOM 0 HG23 THR A 61 0.913 0.184 1.192 1.00 0.77 H new ATOM 977 N ASP A 62 3.098 1.035 5.409 1.00 0.42 N ATOM 978 CA ASP A 62 3.978 2.015 6.037 1.00 0.42 C ATOM 979 C ASP A 62 5.421 1.524 6.034 1.00 0.36 C ATOM 980 O ASP A 62 6.357 2.322 6.002 1.00 0.35 O ATOM 981 CB ASP A 62 3.523 2.300 7.470 1.00 0.47 C ATOM 982 CG ASP A 62 4.141 3.565 8.031 1.00 0.61 C ATOM 983 OD1 ASP A 62 3.963 4.636 7.414 1.00 0.92 O ATOM 984 OD2 ASP A 62 4.803 3.485 9.087 1.00 1.06 O ATOM 0 H ASP A 62 2.446 0.582 6.049 1.00 0.42 H new ATOM 0 HA ASP A 62 3.925 2.939 5.460 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.437 2.388 7.493 1.00 0.47 H new ATOM 0 HB3 ASP A 62 3.788 1.456 8.107 1.00 0.47 H new ATOM 989 N VAL A 63 5.593 0.204 6.060 1.00 0.34 N ATOM 990 CA VAL A 63 6.923 -0.390 6.050 1.00 0.32 C ATOM 991 C VAL A 63 7.657 -0.032 4.766 1.00 0.31 C ATOM 992 O VAL A 63 8.820 0.370 4.796 1.00 0.35 O ATOM 993 CB VAL A 63 6.861 -1.926 6.184 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.253 -2.535 6.092 1.00 0.68 C ATOM 995 CG2 VAL A 63 6.188 -2.320 7.488 1.00 0.66 C ATOM 0 H VAL A 63 4.829 -0.471 6.088 1.00 0.34 H new ATOM 0 HA VAL A 63 7.461 0.013 6.908 1.00 0.32 H new ATOM 0 HB VAL A 63 6.266 -2.316 5.358 1.00 0.36 H new ATOM 0 HG11 VAL A 63 8.183 -3.618 6.189 1.00 0.68 H new ATOM 0 HG12 VAL A 63 8.697 -2.285 5.128 1.00 0.68 H new ATOM 0 HG13 VAL A 63 8.877 -2.138 6.893 1.00 0.68 H new ATOM 0 HG21 VAL A 63 6.153 -3.407 7.566 1.00 0.66 H new ATOM 0 HG22 VAL A 63 6.754 -1.914 8.327 1.00 0.66 H new ATOM 0 HG23 VAL A 63 5.173 -1.922 7.509 1.00 0.66 H new ATOM 1005 N VAL A 64 6.965 -0.172 3.639 1.00 0.29 N ATOM 1006 CA VAL A 64 7.546 0.144 2.342 1.00 0.29 C ATOM 1007 C VAL A 64 7.964 1.607 2.284 1.00 0.31 C ATOM 1008 O VAL A 64 9.074 1.931 1.867 1.00 0.34 O ATOM 1009 CB VAL A 64 6.566 -0.143 1.187 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.318 -0.290 -0.127 1.00 0.33 C ATOM 1011 CG2 VAL A 64 5.741 -1.389 1.478 1.00 0.38 C ATOM 0 H VAL A 64 6.001 -0.503 3.600 1.00 0.29 H new ATOM 0 HA VAL A 64 8.420 -0.497 2.223 1.00 0.29 H new ATOM 0 HB VAL A 64 5.884 0.702 1.098 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.610 -0.492 -0.931 1.00 0.33 H new ATOM 0 HG12 VAL A 64 7.858 0.632 -0.342 1.00 0.33 H new ATOM 0 HG13 VAL A 64 8.026 -1.115 -0.051 1.00 0.33 H new ATOM 0 HG21 VAL A 64 5.056 -1.573 0.650 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.405 -2.245 1.597 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.171 -1.242 2.395 1.00 0.38 H new ATOM 1021 N ASN A 65 7.066 2.487 2.715 1.00 0.32 N ATOM 1022 CA ASN A 65 7.337 3.920 2.722 1.00 0.35 C ATOM 1023 C ASN A 65 8.535 4.239 3.612 1.00 0.38 C ATOM 1024 O ASN A 65 9.206 5.254 3.425 1.00 0.40 O ATOM 1025 CB ASN A 65 6.106 4.687 3.207 1.00 0.40 C ATOM 1026 CG ASN A 65 5.775 5.872 2.323 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.627 6.716 2.052 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.528 5.943 1.870 1.00 0.48 N ATOM 0 H ASN A 65 6.142 2.232 3.065 1.00 0.32 H new ATOM 0 HA ASN A 65 7.571 4.229 1.703 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.251 4.012 3.239 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.277 5.034 4.226 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.246 6.720 1.273 1.00 0.48 H new ATOM 0 HD22 ASN A 65 3.853 5.220 2.120 1.00 0.48 H new ATOM 1035 N GLN A 66 8.797 3.363 4.578 1.00 0.39 N ATOM 1036 CA GLN A 66 9.913 3.547 5.499 1.00 0.42 C ATOM 1037 C GLN A 66 11.242 3.261 4.811 1.00 0.40 C ATOM 1038 O GLN A 66 12.152 4.089 4.831 1.00 0.44 O ATOM 1039 CB GLN A 66 9.752 2.638 6.716 1.00 0.44 C ATOM 1040 CG GLN A 66 9.242 3.362 7.949 1.00 0.87 C ATOM 1041 CD GLN A 66 9.504 2.591 9.227 1.00 1.45 C ATOM 1042 OE1 GLN A 66 10.515 1.899 9.353 1.00 2.20 O ATOM 1043 NE2 GLN A 66 8.590 2.705 10.183 1.00 1.61 N ATOM 0 H GLN A 66 8.250 2.518 4.743 1.00 0.39 H new ATOM 0 HA GLN A 66 9.911 4.587 5.826 1.00 0.42 H new ATOM 0 HB2 GLN A 66 9.063 1.830 6.468 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.713 2.178 6.946 1.00 0.44 H new ATOM 0 HG2 GLN A 66 9.719 4.340 8.015 1.00 0.87 H new ATOM 0 HG3 GLN A 66 8.171 3.536 7.847 1.00 0.87 H new ATOM 0 HE21 GLN A 66 7.767 3.290 10.035 1.00 1.61 H new ATOM 0 HE22 GLN A 66 8.710 2.208 11.065 1.00 1.61 H new ATOM 1052 N LEU A 67 11.349 2.082 4.203 1.00 0.36 N ATOM 1053 CA LEU A 67 12.573 1.692 3.509 1.00 0.35 C ATOM 1054 C LEU A 67 12.859 2.642 2.352 1.00 0.31 C ATOM 1055 O LEU A 67 14.017 2.930 2.049 1.00 0.32 O ATOM 1056 CB LEU A 67 12.487 0.249 3.000 1.00 0.38 C ATOM 1057 CG LEU A 67 11.074 -0.323 2.880 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.734 -0.594 1.426 1.00 1.04 C ATOM 1059 CD2 LEU A 67 10.941 -1.593 3.708 1.00 1.01 C ATOM 0 H LEU A 67 10.606 1.383 4.177 1.00 0.36 H new ATOM 0 HA LEU A 67 13.394 1.751 4.224 1.00 0.35 H new ATOM 0 HB2 LEU A 67 12.965 0.198 2.022 1.00 0.38 H new ATOM 0 HB3 LEU A 67 13.063 -0.389 3.670 1.00 0.38 H new ATOM 0 HG LEU A 67 10.369 0.413 3.266 1.00 0.63 H new ATOM 0 HD11 LEU A 67 9.725 -1.001 1.358 1.00 1.04 H new ATOM 0 HD12 LEU A 67 10.789 0.336 0.860 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.443 -1.312 1.014 1.00 1.04 H new ATOM 0 HD21 LEU A 67 9.929 -1.986 3.611 1.00 1.01 H new ATOM 0 HD22 LEU A 67 11.655 -2.336 3.352 1.00 1.01 H new ATOM 0 HD23 LEU A 67 11.144 -1.368 4.755 1.00 1.01 H new ATOM 1071 N VAL A 68 11.800 3.141 1.720 1.00 0.29 N ATOM 1072 CA VAL A 68 11.951 4.076 0.613 1.00 0.28 C ATOM 1073 C VAL A 68 12.562 5.378 1.114 1.00 0.30 C ATOM 1074 O VAL A 68 13.477 5.924 0.502 1.00 0.32 O ATOM 1075 CB VAL A 68 10.599 4.384 -0.068 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.751 5.498 -1.096 1.00 0.81 C ATOM 1077 CG2 VAL A 68 10.027 3.136 -0.719 1.00 0.69 C ATOM 0 H VAL A 68 10.834 2.914 1.955 1.00 0.29 H new ATOM 0 HA VAL A 68 12.606 3.608 -0.122 1.00 0.28 H new ATOM 0 HB VAL A 68 9.904 4.720 0.701 1.00 0.28 H new ATOM 0 HG11 VAL A 68 9.786 5.697 -1.562 1.00 0.81 H new ATOM 0 HG12 VAL A 68 11.109 6.402 -0.603 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.467 5.193 -1.860 1.00 0.81 H new ATOM 0 HG21 VAL A 68 9.075 3.376 -1.192 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.723 2.766 -1.472 1.00 0.69 H new ATOM 0 HG23 VAL A 68 9.872 2.369 0.039 1.00 0.69 H new ATOM 1087 N ASP A 69 12.047 5.861 2.240 1.00 0.33 N ATOM 1088 CA ASP A 69 12.533 7.095 2.844 1.00 0.39 C ATOM 1089 C ASP A 69 13.984 6.948 3.290 1.00 0.36 C ATOM 1090 O ASP A 69 14.783 7.874 3.157 1.00 0.37 O ATOM 1091 CB ASP A 69 11.655 7.469 4.040 1.00 0.50 C ATOM 1092 CG ASP A 69 11.713 8.947 4.367 1.00 0.74 C ATOM 1093 OD1 ASP A 69 11.624 9.767 3.430 1.00 1.11 O ATOM 1094 OD2 ASP A 69 11.847 9.285 5.561 1.00 1.33 O ATOM 0 H ASP A 69 11.289 5.413 2.755 1.00 0.33 H new ATOM 0 HA ASP A 69 12.483 7.887 2.097 1.00 0.39 H new ATOM 0 HB2 ASP A 69 10.623 7.187 3.830 1.00 0.50 H new ATOM 0 HB3 ASP A 69 11.971 6.895 4.911 1.00 0.50 H new ATOM 1099 N ASN A 70 14.315 5.776 3.822 1.00 0.35 N ATOM 1100 CA ASN A 70 15.667 5.499 4.296 1.00 0.37 C ATOM 1101 C ASN A 70 16.671 5.507 3.147 1.00 0.33 C ATOM 1102 O ASN A 70 17.671 6.221 3.188 1.00 0.40 O ATOM 1103 CB ASN A 70 15.709 4.143 5.002 1.00 0.44 C ATOM 1104 CG ASN A 70 15.873 4.275 6.503 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.930 4.672 6.991 1.00 0.95 O ATOM 1106 ND2 ASN A 70 14.824 3.938 7.243 1.00 1.69 N ATOM 0 H ASN A 70 13.663 5.000 3.936 1.00 0.35 H new ATOM 0 HA ASN A 70 15.942 6.287 4.998 1.00 0.37 H new ATOM 0 HB2 ASN A 70 14.791 3.596 4.787 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.533 3.553 4.600 1.00 0.44 H new ATOM 0 HD21 ASN A 70 14.875 4.003 8.260 1.00 1.69 H new ATOM 0 HD22 ASN A 70 13.967 3.614 6.795 1.00 1.69 H new ATOM 1113 N TRP A 71 16.399 4.695 2.134 1.00 0.30 N ATOM 1114 CA TRP A 71 17.278 4.584 0.975 1.00 0.36 C ATOM 1115 C TRP A 71 17.347 5.889 0.185 1.00 0.35 C ATOM 1116 O TRP A 71 18.358 6.181 -0.454 1.00 0.40 O ATOM 1117 CB TRP A 71 16.792 3.454 0.068 1.00 0.42 C ATOM 1118 CG TRP A 71 17.776 3.073 -0.995 1.00 0.52 C ATOM 1119 CD1 TRP A 71 18.858 2.253 -0.856 1.00 0.63 C ATOM 1120 CD2 TRP A 71 17.765 3.498 -2.362 1.00 0.58 C ATOM 1121 NE1 TRP A 71 19.523 2.143 -2.053 1.00 0.72 N ATOM 1122 CE2 TRP A 71 18.871 2.898 -2.993 1.00 0.68 C ATOM 1123 CE3 TRP A 71 16.929 4.328 -3.112 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 19.160 3.102 -4.339 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.216 4.529 -4.448 1.00 0.73 C ATOM 1126 CH2 TRP A 71 18.324 3.918 -5.050 1.00 0.77 C ATOM 0 H TRP A 71 15.572 4.100 2.091 1.00 0.30 H new ATOM 0 HA TRP A 71 18.282 4.365 1.338 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.572 2.578 0.679 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.857 3.755 -0.405 1.00 0.42 H new ATOM 0 HD1 TRP A 71 19.149 1.762 0.061 1.00 0.63 H new ATOM 0 HE1 TRP A 71 20.364 1.590 -2.216 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.074 4.804 -2.656 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 20.014 2.633 -4.805 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 16.576 5.168 -5.038 1.00 0.73 H new ATOM 0 HH2 TRP A 71 18.522 4.095 -6.097 1.00 0.77 H new ATOM 1137 N LEU A 72 16.266 6.664 0.218 1.00 0.36 N ATOM 1138 CA LEU A 72 16.211 7.926 -0.515 1.00 0.42 C ATOM 1139 C LEU A 72 16.842 9.072 0.271 1.00 0.49 C ATOM 1140 O LEU A 72 17.064 10.152 -0.274 1.00 0.61 O ATOM 1141 CB LEU A 72 14.764 8.277 -0.861 1.00 0.45 C ATOM 1142 CG LEU A 72 14.453 8.341 -2.356 1.00 0.42 C ATOM 1143 CD1 LEU A 72 14.484 6.949 -2.966 1.00 1.23 C ATOM 1144 CD2 LEU A 72 13.102 8.996 -2.591 1.00 1.38 C ATOM 0 H LEU A 72 15.420 6.442 0.742 1.00 0.36 H new ATOM 0 HA LEU A 72 16.785 7.791 -1.431 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.107 7.539 -0.400 1.00 0.45 H new ATOM 0 HB3 LEU A 72 14.523 9.241 -0.414 1.00 0.45 H new ATOM 0 HG LEU A 72 15.218 8.947 -2.842 1.00 0.42 H new ATOM 0 HD11 LEU A 72 14.260 7.013 -4.031 1.00 1.23 H new ATOM 0 HD12 LEU A 72 15.474 6.514 -2.829 1.00 1.23 H new ATOM 0 HD13 LEU A 72 13.740 6.321 -2.476 1.00 1.23 H new ATOM 0 HD21 LEU A 72 12.897 9.033 -3.661 1.00 1.38 H new ATOM 0 HD22 LEU A 72 12.325 8.416 -2.092 1.00 1.38 H new ATOM 0 HD23 LEU A 72 13.114 10.009 -2.188 1.00 1.38 H new ATOM 1156 N LYS A 73 17.125 8.842 1.547 1.00 0.51 N ATOM 1157 CA LYS A 73 17.726 9.875 2.384 1.00 0.64 C ATOM 1158 C LYS A 73 19.143 9.494 2.797 1.00 0.63 C ATOM 1159 O LYS A 73 19.906 10.333 3.275 1.00 0.74 O ATOM 1160 CB LYS A 73 16.869 10.122 3.626 1.00 0.82 C ATOM 1161 CG LYS A 73 15.639 10.972 3.353 1.00 0.97 C ATOM 1162 CD LYS A 73 14.530 10.683 4.350 1.00 1.32 C ATOM 1163 CE LYS A 73 14.304 11.854 5.290 1.00 1.19 C ATOM 1164 NZ LYS A 73 12.878 12.279 5.311 1.00 1.42 N ATOM 0 H LYS A 73 16.950 7.957 2.023 1.00 0.51 H new ATOM 0 HA LYS A 73 17.775 10.792 1.797 1.00 0.64 H new ATOM 0 HB2 LYS A 73 16.554 9.163 4.038 1.00 0.82 H new ATOM 0 HB3 LYS A 73 17.478 10.611 4.387 1.00 0.82 H new ATOM 0 HG2 LYS A 73 15.907 12.027 3.401 1.00 0.97 H new ATOM 0 HG3 LYS A 73 15.280 10.780 2.342 1.00 0.97 H new ATOM 0 HD2 LYS A 73 13.607 10.462 3.814 1.00 1.32 H new ATOM 0 HD3 LYS A 73 14.783 9.795 4.929 1.00 1.32 H new ATOM 0 HE2 LYS A 73 14.615 11.577 6.297 1.00 1.19 H new ATOM 0 HE3 LYS A 73 14.929 12.693 4.983 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 12.711 12.895 6.132 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 12.658 12.799 4.438 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 12.267 11.440 5.378 1.00 1.42 H new ATOM 1178 N GLU A 74 19.488 8.225 2.610 1.00 0.60 N ATOM 1179 CA GLU A 74 20.815 7.735 2.963 1.00 0.77 C ATOM 1180 C GLU A 74 21.718 7.672 1.737 1.00 0.85 C ATOM 1181 O GLU A 74 22.912 7.960 1.816 1.00 1.00 O ATOM 1182 CB GLU A 74 20.715 6.350 3.607 1.00 0.93 C ATOM 1183 CG GLU A 74 21.536 6.209 4.878 1.00 1.00 C ATOM 1184 CD GLU A 74 21.174 7.242 5.925 1.00 1.39 C ATOM 1185 OE1 GLU A 74 19.981 7.335 6.279 1.00 2.41 O ATOM 1186 OE2 GLU A 74 22.084 7.960 6.389 1.00 1.30 O ATOM 0 H GLU A 74 18.868 7.517 2.216 1.00 0.60 H new ATOM 0 HA GLU A 74 21.252 8.432 3.678 1.00 0.77 H new ATOM 0 HB2 GLU A 74 19.670 6.139 3.834 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.043 5.600 2.888 1.00 0.93 H new ATOM 0 HG2 GLU A 74 21.389 5.211 5.292 1.00 1.00 H new ATOM 0 HG3 GLU A 74 22.594 6.300 4.634 1.00 1.00 H new ATOM 1193 N ASN A 75 21.138 7.289 0.603 1.00 0.95 N ATOM 1194 CA ASN A 75 21.890 7.185 -0.643 1.00 1.20 C ATOM 1195 C ASN A 75 21.912 8.519 -1.383 1.00 1.20 C ATOM 1196 O ASN A 75 22.842 8.806 -2.136 1.00 1.32 O ATOM 1197 CB ASN A 75 21.291 6.086 -1.529 1.00 1.49 C ATOM 1198 CG ASN A 75 20.919 6.578 -2.916 1.00 1.22 C ATOM 1199 OD1 ASN A 75 21.773 6.700 -3.793 1.00 1.55 O ATOM 1200 ND2 ASN A 75 19.639 6.861 -3.118 1.00 0.88 N ATOM 0 H ASN A 75 20.151 7.046 0.522 1.00 0.95 H new ATOM 0 HA ASN A 75 22.920 6.921 -0.402 1.00 1.20 H new ATOM 0 HB2 ASN A 75 22.007 5.269 -1.619 1.00 1.49 H new ATOM 0 HB3 ASN A 75 20.404 5.679 -1.044 1.00 1.49 H new ATOM 0 HD21 ASN A 75 19.328 7.195 -4.030 1.00 0.88 H new ATOM 0 HD22 ASN A 75 18.965 6.745 -2.361 1.00 0.88 H new ATOM 1207 N GLU A 76 20.882 9.330 -1.164 1.00 1.19 N ATOM 1208 CA GLU A 76 20.786 10.633 -1.813 1.00 1.36 C ATOM 1209 C GLU A 76 21.453 11.712 -0.967 1.00 1.69 C ATOM 1210 O GLU A 76 20.970 11.965 0.156 1.00 2.16 O ATOM 1211 CB GLU A 76 19.322 10.998 -2.057 1.00 1.69 C ATOM 1212 CG GLU A 76 18.885 10.819 -3.500 1.00 1.63 C ATOM 1213 CD GLU A 76 19.311 11.973 -4.382 1.00 2.07 C ATOM 1214 OE1 GLU A 76 18.634 13.022 -4.357 1.00 2.17 O ATOM 1215 OE2 GLU A 76 20.324 11.830 -5.096 1.00 2.92 O ATOM 1216 OXT GLU A 76 22.454 12.293 -1.434 1.00 2.16 O ATOM 0 H GLU A 76 20.103 9.109 -0.543 1.00 1.19 H new ATOM 0 HA GLU A 76 21.304 10.572 -2.770 1.00 1.36 H new ATOM 0 HB2 GLU A 76 18.691 10.383 -1.416 1.00 1.69 H new ATOM 0 HB3 GLU A 76 19.161 12.035 -1.763 1.00 1.69 H new ATOM 0 HG2 GLU A 76 19.305 9.892 -3.891 1.00 1.63 H new ATOM 0 HG3 GLU A 76 17.800 10.718 -3.538 1.00 1.63 H new TER 1223 GLU A 76 ATOM 1224 N MET B 1 -10.073 -59.693 -34.809 1.00 49.72 N ATOM 1225 CA MET B 1 -10.240 -58.288 -35.253 1.00 50.01 C ATOM 1226 C MET B 1 -11.707 -57.907 -35.314 1.00 50.09 C ATOM 1227 O MET B 1 -12.054 -56.737 -35.197 1.00 50.14 O ATOM 1228 CB MET B 1 -9.593 -58.125 -36.624 1.00 49.83 C ATOM 1229 CG MET B 1 -8.879 -56.797 -36.806 1.00 50.16 C ATOM 1230 SD MET B 1 -9.946 -55.379 -36.498 1.00 50.63 S ATOM 1231 CE MET B 1 -11.173 -55.588 -37.785 1.00 50.90 C ATOM 0 H1 MET B 1 -9.065 -59.888 -34.645 1.00 49.72 H new ATOM 0 H2 MET B 1 -10.603 -59.844 -33.927 1.00 49.72 H new ATOM 0 H3 MET B 1 -10.435 -60.334 -35.543 1.00 49.72 H new ATOM 0 HA MET B 1 -9.757 -57.626 -34.534 1.00 50.01 H new ATOM 0 HB2 MET B 1 -8.880 -58.935 -36.779 1.00 49.83 H new ATOM 0 HB3 MET B 1 -10.360 -58.224 -37.392 1.00 49.83 H new ATOM 0 HG2 MET B 1 -8.024 -56.755 -36.132 1.00 50.16 H new ATOM 0 HG3 MET B 1 -8.488 -56.737 -37.822 1.00 50.16 H new ATOM 0 HE1 MET B 1 -11.821 -54.712 -37.816 1.00 50.90 H new ATOM 0 HE2 MET B 1 -10.675 -55.704 -38.747 1.00 50.90 H new ATOM 0 HE3 MET B 1 -11.771 -56.475 -37.577 1.00 50.90 H new ATOM 1243 N SER B 2 -12.569 -58.905 -35.483 1.00 50.14 N ATOM 1244 CA SER B 2 -14.006 -58.670 -35.539 1.00 50.28 C ATOM 1245 C SER B 2 -14.414 -57.791 -34.372 1.00 49.60 C ATOM 1246 O SER B 2 -15.346 -56.993 -34.461 1.00 49.19 O ATOM 1247 CB SER B 2 -14.757 -59.994 -35.485 1.00 50.63 C ATOM 1248 OG SER B 2 -14.015 -60.961 -34.765 1.00 50.88 O ATOM 0 H SER B 2 -12.297 -59.883 -35.583 1.00 50.14 H new ATOM 0 HA SER B 2 -14.255 -58.169 -36.475 1.00 50.28 H new ATOM 0 HB2 SER B 2 -15.728 -59.848 -35.012 1.00 50.63 H new ATOM 0 HB3 SER B 2 -14.946 -60.352 -36.497 1.00 50.63 H new ATOM 0 HG SER B 2 -14.514 -61.804 -34.740 1.00 50.88 H new ATOM 1254 N LEU B 3 -13.665 -57.926 -33.289 1.00 49.51 N ATOM 1255 CA LEU B 3 -13.884 -57.135 -32.095 1.00 48.94 C ATOM 1256 C LEU B 3 -13.149 -55.821 -32.254 1.00 48.22 C ATOM 1257 O LEU B 3 -12.596 -55.280 -31.298 1.00 48.18 O ATOM 1258 CB LEU B 3 -13.373 -57.886 -30.868 1.00 48.75 C ATOM 1259 CG LEU B 3 -12.979 -59.340 -31.129 1.00 48.99 C ATOM 1260 CD1 LEU B 3 -12.127 -59.878 -29.994 1.00 49.26 C ATOM 1261 CD2 LEU B 3 -14.216 -60.200 -31.326 1.00 48.96 C ATOM 0 H LEU B 3 -12.891 -58.586 -33.216 1.00 49.51 H new ATOM 0 HA LEU B 3 -14.949 -56.949 -31.958 1.00 48.94 H new ATOM 0 HB2 LEU B 3 -12.509 -57.356 -30.468 1.00 48.75 H new ATOM 0 HB3 LEU B 3 -14.145 -57.865 -30.098 1.00 48.75 H new ATOM 0 HG LEU B 3 -12.387 -59.375 -32.044 1.00 48.99 H new ATOM 0 HD11 LEU B 3 -11.858 -60.914 -30.200 1.00 49.26 H new ATOM 0 HD12 LEU B 3 -11.221 -59.279 -29.904 1.00 49.26 H new ATOM 0 HD13 LEU B 3 -12.689 -59.828 -29.062 1.00 49.26 H new ATOM 0 HD21 LEU B 3 -13.916 -61.232 -31.511 1.00 48.96 H new ATOM 0 HD22 LEU B 3 -14.836 -60.157 -30.430 1.00 48.96 H new ATOM 0 HD23 LEU B 3 -14.785 -59.829 -32.179 1.00 48.96 H new ATOM 1273 N GLU B 4 -13.145 -55.342 -33.504 1.00 47.69 N ATOM 1274 CA GLU B 4 -12.485 -54.103 -33.921 1.00 46.99 C ATOM 1275 C GLU B 4 -10.981 -54.136 -33.686 1.00 46.41 C ATOM 1276 O GLU B 4 -10.243 -53.389 -34.326 1.00 46.09 O ATOM 1277 CB GLU B 4 -13.066 -52.857 -33.232 1.00 47.08 C ATOM 1278 CG GLU B 4 -14.246 -53.109 -32.312 1.00 47.35 C ATOM 1279 CD GLU B 4 -13.875 -52.933 -30.855 1.00 47.87 C ATOM 1280 OE1 GLU B 4 -13.160 -51.960 -30.541 1.00 47.70 O ATOM 1281 OE2 GLU B 4 -14.287 -53.776 -30.032 1.00 48.48 O ATOM 0 H GLU B 4 -13.614 -55.820 -34.273 1.00 47.69 H new ATOM 0 HA GLU B 4 -12.677 -54.034 -34.992 1.00 46.99 H new ATOM 0 HB2 GLU B 4 -12.274 -52.380 -32.655 1.00 47.08 H new ATOM 0 HB3 GLU B 4 -13.372 -52.148 -34.001 1.00 47.08 H new ATOM 0 HG2 GLU B 4 -15.056 -52.425 -32.565 1.00 47.35 H new ATOM 0 HG3 GLU B 4 -14.621 -54.120 -32.471 1.00 47.35 H new ATOM 1288 N LYS B 5 -10.530 -54.950 -32.732 1.00 46.34 N ATOM 1289 CA LYS B 5 -9.123 -55.013 -32.373 1.00 45.89 C ATOM 1290 C LYS B 5 -8.705 -53.685 -31.770 1.00 45.32 C ATOM 1291 O LYS B 5 -7.670 -53.574 -31.120 1.00 45.40 O ATOM 1292 CB LYS B 5 -8.242 -55.376 -33.567 1.00 46.20 C ATOM 1293 CG LYS B 5 -7.700 -56.808 -33.550 1.00 46.45 C ATOM 1294 CD LYS B 5 -7.675 -57.425 -32.155 1.00 47.12 C ATOM 1295 CE LYS B 5 -8.835 -58.389 -31.945 1.00 47.36 C ATOM 1296 NZ LYS B 5 -10.145 -57.685 -31.879 1.00 47.29 N ATOM 0 H LYS B 5 -11.128 -55.577 -32.193 1.00 46.34 H new ATOM 0 HA LYS B 5 -8.988 -55.806 -31.638 1.00 45.89 H new ATOM 0 HB2 LYS B 5 -8.816 -55.230 -34.482 1.00 46.20 H new ATOM 0 HB3 LYS B 5 -7.401 -54.684 -33.604 1.00 46.20 H new ATOM 0 HG2 LYS B 5 -8.312 -57.429 -34.204 1.00 46.45 H new ATOM 0 HG3 LYS B 5 -6.690 -56.812 -33.960 1.00 46.45 H new ATOM 0 HD2 LYS B 5 -6.732 -57.952 -32.007 1.00 47.12 H new ATOM 0 HD3 LYS B 5 -7.719 -56.634 -31.406 1.00 47.12 H new ATOM 0 HE2 LYS B 5 -8.855 -59.114 -32.758 1.00 47.36 H new ATOM 0 HE3 LYS B 5 -8.678 -58.949 -31.023 1.00 47.36 H new ATOM 0 HZ1 LYS B 5 -10.910 -58.383 -31.786 1.00 47.29 H new ATOM 0 HZ2 LYS B 5 -10.156 -57.048 -31.057 1.00 47.29 H new ATOM 0 HZ3 LYS B 5 -10.285 -57.131 -32.748 1.00 47.29 H new ATOM 1310 N ALA B 6 -9.566 -52.695 -31.956 1.00 44.78 N ATOM 1311 CA ALA B 6 -9.373 -51.384 -31.412 1.00 44.24 C ATOM 1312 C ALA B 6 -10.049 -51.362 -30.065 1.00 43.74 C ATOM 1313 O ALA B 6 -10.070 -50.350 -29.371 1.00 43.85 O ATOM 1314 CB ALA B 6 -9.961 -50.331 -32.336 1.00 44.52 C ATOM 0 H ALA B 6 -10.425 -52.794 -32.497 1.00 44.78 H new ATOM 0 HA ALA B 6 -8.312 -51.157 -31.309 1.00 44.24 H new ATOM 0 HB1 ALA B 6 -9.805 -49.342 -31.906 1.00 44.52 H new ATOM 0 HB2 ALA B 6 -9.471 -50.386 -33.308 1.00 44.52 H new ATOM 0 HB3 ALA B 6 -11.029 -50.509 -32.457 1.00 44.52 H new ATOM 1320 N HIS B 7 -10.590 -52.524 -29.700 1.00 43.26 N ATOM 1321 CA HIS B 7 -11.250 -52.688 -28.424 1.00 42.80 C ATOM 1322 C HIS B 7 -10.232 -52.431 -27.343 1.00 42.47 C ATOM 1323 O HIS B 7 -10.542 -51.906 -26.276 1.00 42.04 O ATOM 1324 CB HIS B 7 -11.822 -54.100 -28.295 1.00 42.48 C ATOM 1325 CG HIS B 7 -10.812 -55.184 -28.512 1.00 42.63 C ATOM 1326 ND1 HIS B 7 -9.586 -54.969 -29.106 1.00 42.29 N ATOM 1327 CD2 HIS B 7 -10.852 -56.500 -28.206 1.00 43.14 C ATOM 1328 CE1 HIS B 7 -8.918 -56.106 -29.151 1.00 42.58 C ATOM 1329 NE2 HIS B 7 -9.663 -57.049 -28.612 1.00 43.10 N ATOM 0 H HIS B 7 -10.579 -53.364 -30.279 1.00 43.26 H new ATOM 0 HA HIS B 7 -12.080 -51.987 -28.336 1.00 42.80 H new ATOM 0 HB2 HIS B 7 -12.258 -54.216 -27.303 1.00 42.48 H new ATOM 0 HB3 HIS B 7 -12.631 -54.221 -29.015 1.00 42.48 H new ATOM 0 HD2 HIS B 7 -11.669 -57.022 -27.730 1.00 43.14 H new ATOM 0 HE1 HIS B 7 -7.928 -56.241 -29.561 1.00 42.58 H new ATOM 0 HE2 HIS B 7 -9.398 -58.029 -28.513 1.00 43.10 H new ATOM 1338 N THR B 8 -8.995 -52.773 -27.661 1.00 42.72 N ATOM 1339 CA THR B 8 -7.894 -52.553 -26.758 1.00 42.49 C ATOM 1340 C THR B 8 -7.607 -51.075 -26.687 1.00 42.09 C ATOM 1341 O THR B 8 -6.987 -50.592 -25.745 1.00 42.17 O ATOM 1342 CB THR B 8 -6.627 -53.271 -27.238 1.00 43.02 C ATOM 1343 OG1 THR B 8 -6.567 -53.253 -28.668 1.00 43.54 O ATOM 1344 CG2 THR B 8 -6.596 -54.704 -26.741 1.00 43.04 C ATOM 0 H THR B 8 -8.734 -53.207 -28.546 1.00 42.72 H new ATOM 0 HA THR B 8 -8.171 -52.947 -25.780 1.00 42.49 H new ATOM 0 HB THR B 8 -5.762 -52.746 -26.832 1.00 43.02 H new ATOM 0 HG1 THR B 8 -5.754 -53.712 -28.967 1.00 43.54 H new ATOM 0 HG21 THR B 8 -5.688 -55.192 -27.095 1.00 43.04 H new ATOM 0 HG22 THR B 8 -6.611 -54.712 -25.651 1.00 43.04 H new ATOM 0 HG23 THR B 8 -7.467 -55.239 -27.120 1.00 43.04 H new ATOM 1352 N SER B 9 -8.057 -50.360 -27.714 1.00 41.72 N ATOM 1353 CA SER B 9 -7.837 -48.929 -27.791 1.00 41.37 C ATOM 1354 C SER B 9 -6.382 -48.663 -27.489 1.00 40.97 C ATOM 1355 O SER B 9 -6.051 -47.795 -26.691 1.00 40.81 O ATOM 1356 CB SER B 9 -8.735 -48.195 -26.796 1.00 41.56 C ATOM 1357 OG SER B 9 -9.463 -49.109 -25.993 1.00 41.99 O ATOM 0 H SER B 9 -8.575 -50.752 -28.501 1.00 41.72 H new ATOM 0 HA SER B 9 -8.084 -48.565 -28.788 1.00 41.37 H new ATOM 0 HB2 SER B 9 -8.128 -47.551 -26.160 1.00 41.56 H new ATOM 0 HB3 SER B 9 -9.427 -47.548 -27.335 1.00 41.56 H new ATOM 0 HG SER B 9 -10.028 -48.614 -25.364 1.00 41.99 H new ATOM 1363 N VAL B 10 -5.528 -49.476 -28.103 1.00 40.88 N ATOM 1364 CA VAL B 10 -4.093 -49.408 -27.887 1.00 40.57 C ATOM 1365 C VAL B 10 -3.776 -50.057 -26.555 1.00 39.78 C ATOM 1366 O VAL B 10 -3.215 -49.428 -25.659 1.00 39.60 O ATOM 1367 CB VAL B 10 -3.551 -47.967 -27.905 1.00 41.04 C ATOM 1368 CG1 VAL B 10 -2.032 -47.970 -27.866 1.00 41.05 C ATOM 1369 CG2 VAL B 10 -4.058 -47.221 -29.128 1.00 41.81 C ATOM 0 H VAL B 10 -5.814 -50.199 -28.763 1.00 40.88 H new ATOM 0 HA VAL B 10 -3.606 -49.934 -28.708 1.00 40.57 H new ATOM 0 HB VAL B 10 -3.914 -47.450 -27.017 1.00 41.04 H new ATOM 0 HG11 VAL B 10 -1.666 -46.943 -27.879 1.00 41.05 H new ATOM 0 HG12 VAL B 10 -1.692 -48.465 -26.956 1.00 41.05 H new ATOM 0 HG13 VAL B 10 -1.647 -48.504 -28.735 1.00 41.05 H new ATOM 0 HG21 VAL B 10 -3.664 -46.205 -29.123 1.00 41.81 H new ATOM 0 HG22 VAL B 10 -3.726 -47.734 -30.031 1.00 41.81 H new ATOM 0 HG23 VAL B 10 -5.147 -47.188 -29.109 1.00 41.81 H new ATOM 1379 N LYS B 11 -4.171 -51.321 -26.427 1.00 39.37 N ATOM 1380 CA LYS B 11 -3.961 -52.062 -25.198 1.00 38.66 C ATOM 1381 C LYS B 11 -4.510 -51.264 -24.036 1.00 37.92 C ATOM 1382 O LYS B 11 -3.792 -50.463 -23.441 1.00 37.86 O ATOM 1383 CB LYS B 11 -2.478 -52.336 -24.986 1.00 38.51 C ATOM 1384 CG LYS B 11 -2.208 -53.423 -23.960 1.00 38.70 C ATOM 1385 CD LYS B 11 -2.415 -52.925 -22.536 1.00 39.11 C ATOM 1386 CE LYS B 11 -1.462 -51.793 -22.195 1.00 39.26 C ATOM 1387 NZ LYS B 11 -2.152 -50.677 -21.491 1.00 39.34 N ATOM 0 H LYS B 11 -4.638 -51.849 -27.164 1.00 39.37 H new ATOM 0 HA LYS B 11 -4.480 -53.018 -25.265 1.00 38.66 H new ATOM 0 HB2 LYS B 11 -2.029 -52.624 -25.937 1.00 38.51 H new ATOM 0 HB3 LYS B 11 -1.988 -51.416 -24.668 1.00 38.51 H new ATOM 0 HG2 LYS B 11 -2.867 -54.271 -24.147 1.00 38.70 H new ATOM 0 HG3 LYS B 11 -1.185 -53.783 -24.073 1.00 38.70 H new ATOM 0 HD2 LYS B 11 -3.443 -52.584 -22.415 1.00 39.11 H new ATOM 0 HD3 LYS B 11 -2.268 -53.748 -21.837 1.00 39.11 H new ATOM 0 HE2 LYS B 11 -0.656 -52.174 -21.568 1.00 39.26 H new ATOM 0 HE3 LYS B 11 -1.004 -51.417 -23.110 1.00 39.26 H new ATOM 0 HZ1 LYS B 11 -1.482 -50.203 -20.852 1.00 39.34 H new ATOM 0 HZ2 LYS B 11 -2.508 -49.993 -22.189 1.00 39.34 H new ATOM 0 HZ3 LYS B 11 -2.949 -51.054 -20.939 1.00 39.34 H new ATOM 1401 N LYS B 12 -5.791 -51.455 -23.742 1.00 37.43 N ATOM 1402 CA LYS B 12 -6.437 -50.714 -22.675 1.00 36.75 C ATOM 1403 C LYS B 12 -5.936 -49.287 -22.676 1.00 36.06 C ATOM 1404 O LYS B 12 -5.751 -48.670 -21.629 1.00 35.87 O ATOM 1405 CB LYS B 12 -6.179 -51.352 -21.317 1.00 36.61 C ATOM 1406 CG LYS B 12 -7.392 -51.312 -20.403 1.00 36.83 C ATOM 1407 CD LYS B 12 -7.772 -49.884 -20.032 1.00 36.79 C ATOM 1408 CE LYS B 12 -8.853 -49.334 -20.952 1.00 36.93 C ATOM 1409 NZ LYS B 12 -8.377 -48.161 -21.739 1.00 36.94 N ATOM 0 H LYS B 12 -6.398 -52.115 -24.228 1.00 37.43 H new ATOM 0 HA LYS B 12 -7.512 -50.730 -22.852 1.00 36.75 H new ATOM 0 HB2 LYS B 12 -5.873 -52.388 -21.461 1.00 36.61 H new ATOM 0 HB3 LYS B 12 -5.348 -50.839 -20.832 1.00 36.61 H new ATOM 0 HG2 LYS B 12 -8.235 -51.796 -20.896 1.00 36.83 H new ATOM 0 HG3 LYS B 12 -7.183 -51.880 -19.496 1.00 36.83 H new ATOM 0 HD2 LYS B 12 -8.123 -49.857 -19.000 1.00 36.79 H new ATOM 0 HD3 LYS B 12 -6.889 -49.247 -20.085 1.00 36.79 H new ATOM 0 HE2 LYS B 12 -9.181 -50.118 -21.634 1.00 36.93 H new ATOM 0 HE3 LYS B 12 -9.720 -49.044 -20.359 1.00 36.93 H new ATOM 0 HZ1 LYS B 12 -8.977 -47.337 -21.532 1.00 36.94 H new ATOM 0 HZ2 LYS B 12 -7.393 -47.946 -21.481 1.00 36.94 H new ATOM 0 HZ3 LYS B 12 -8.429 -48.380 -22.754 1.00 36.94 H new ATOM 1423 N MET B 13 -5.694 -48.780 -23.871 1.00 35.73 N ATOM 1424 CA MET B 13 -5.192 -47.442 -24.033 1.00 35.11 C ATOM 1425 C MET B 13 -4.019 -47.190 -23.110 1.00 34.05 C ATOM 1426 O MET B 13 -4.184 -46.724 -21.983 1.00 33.69 O ATOM 1427 CB MET B 13 -6.298 -46.438 -23.767 1.00 35.48 C ATOM 1428 CG MET B 13 -6.492 -45.450 -24.898 1.00 35.31 C ATOM 1429 SD MET B 13 -7.075 -43.848 -24.321 1.00 35.65 S ATOM 1430 CE MET B 13 -8.281 -44.348 -23.093 1.00 35.62 C ATOM 0 H MET B 13 -5.841 -49.285 -24.745 1.00 35.73 H new ATOM 0 HA MET B 13 -4.845 -47.325 -25.060 1.00 35.11 H new ATOM 0 HB2 MET B 13 -7.232 -46.973 -23.596 1.00 35.48 H new ATOM 0 HB3 MET B 13 -6.072 -45.892 -22.851 1.00 35.48 H new ATOM 0 HG2 MET B 13 -5.549 -45.320 -25.429 1.00 35.31 H new ATOM 0 HG3 MET B 13 -7.207 -45.857 -25.613 1.00 35.31 H new ATOM 0 HE1 MET B 13 -9.001 -43.544 -22.942 1.00 35.62 H new ATOM 0 HE2 MET B 13 -8.802 -45.242 -23.437 1.00 35.62 H new ATOM 0 HE3 MET B 13 -7.774 -44.563 -22.152 1.00 35.62 H new ATOM 1440 N THR B 14 -2.828 -47.481 -23.595 1.00 33.61 N ATOM 1441 CA THR B 14 -1.637 -47.251 -22.813 1.00 32.62 C ATOM 1442 C THR B 14 -1.234 -45.798 -22.966 1.00 31.94 C ATOM 1443 O THR B 14 -0.140 -45.394 -22.577 1.00 32.15 O ATOM 1444 CB THR B 14 -0.480 -48.168 -23.238 1.00 32.54 C ATOM 1445 OG1 THR B 14 -0.988 -49.270 -23.997 1.00 33.35 O ATOM 1446 CG2 THR B 14 0.267 -48.688 -22.018 1.00 32.48 C ATOM 0 H THR B 14 -2.663 -47.875 -24.521 1.00 33.61 H new ATOM 0 HA THR B 14 -1.857 -47.481 -21.770 1.00 32.62 H new ATOM 0 HB THR B 14 0.212 -47.591 -23.852 1.00 32.54 H new ATOM 0 HG1 THR B 14 -0.242 -49.761 -24.400 1.00 33.35 H new ATOM 0 HG21 THR B 14 1.083 -49.336 -22.340 1.00 32.48 H new ATOM 0 HG22 THR B 14 0.672 -47.848 -21.454 1.00 32.48 H new ATOM 0 HG23 THR B 14 -0.418 -49.254 -21.386 1.00 32.48 H new ATOM 1454 N PHE B 15 -2.164 -45.026 -23.541 1.00 31.19 N ATOM 1455 CA PHE B 15 -1.991 -43.596 -23.775 1.00 30.54 C ATOM 1456 C PHE B 15 -1.187 -42.959 -22.664 1.00 29.77 C ATOM 1457 O PHE B 15 -0.346 -42.093 -22.892 1.00 29.39 O ATOM 1458 CB PHE B 15 -3.364 -42.917 -23.829 1.00 30.31 C ATOM 1459 CG PHE B 15 -4.050 -42.862 -22.486 1.00 30.09 C ATOM 1460 CD1 PHE B 15 -4.708 -43.969 -21.987 1.00 30.43 C ATOM 1461 CD2 PHE B 15 -4.012 -41.710 -21.713 1.00 29.61 C ATOM 1462 CE1 PHE B 15 -5.320 -43.935 -20.749 1.00 30.32 C ATOM 1463 CE2 PHE B 15 -4.619 -41.671 -20.471 1.00 29.47 C ATOM 1464 CZ PHE B 15 -5.274 -42.785 -19.989 1.00 29.84 C ATOM 0 H PHE B 15 -3.065 -45.384 -23.858 1.00 31.19 H new ATOM 0 HA PHE B 15 -1.461 -43.469 -24.719 1.00 30.54 H new ATOM 0 HB2 PHE B 15 -3.247 -41.903 -24.212 1.00 30.31 H new ATOM 0 HB3 PHE B 15 -4.000 -43.453 -24.534 1.00 30.31 H new ATOM 0 HD1 PHE B 15 -4.745 -44.875 -22.574 1.00 30.43 H new ATOM 0 HD2 PHE B 15 -3.502 -40.834 -22.086 1.00 29.61 H new ATOM 0 HE1 PHE B 15 -5.834 -44.809 -20.376 1.00 30.32 H new ATOM 0 HE2 PHE B 15 -4.580 -40.769 -19.879 1.00 29.47 H new ATOM 0 HZ PHE B 15 -5.749 -42.757 -19.020 1.00 29.84 H new ATOM 1474 N GLY B 16 -1.490 -43.384 -21.459 1.00 29.61 N ATOM 1475 CA GLY B 16 -0.845 -42.855 -20.301 1.00 28.95 C ATOM 1476 C GLY B 16 -1.667 -43.114 -19.072 1.00 28.38 C ATOM 1477 O GLY B 16 -1.684 -42.309 -18.152 1.00 27.86 O ATOM 0 H GLY B 16 -2.188 -44.102 -21.265 1.00 29.61 H new ATOM 0 HA2 GLY B 16 0.140 -43.308 -20.188 1.00 28.95 H new ATOM 0 HA3 GLY B 16 -0.691 -41.783 -20.422 1.00 28.95 H new ATOM 1481 N GLU B 17 -2.350 -44.252 -19.055 1.00 28.54 N ATOM 1482 CA GLU B 17 -3.158 -44.619 -17.909 1.00 28.12 C ATOM 1483 C GLU B 17 -2.254 -44.644 -16.695 1.00 27.58 C ATOM 1484 O GLU B 17 -2.674 -44.384 -15.571 1.00 27.25 O ATOM 1485 CB GLU B 17 -3.827 -45.978 -18.126 1.00 28.76 C ATOM 1486 CG GLU B 17 -2.903 -47.163 -17.905 1.00 28.83 C ATOM 1487 CD GLU B 17 -1.627 -47.069 -18.716 1.00 28.83 C ATOM 1488 OE1 GLU B 17 -1.698 -46.661 -19.891 1.00 29.03 O ATOM 1489 OE2 GLU B 17 -0.558 -47.403 -18.173 1.00 28.71 O ATOM 0 H GLU B 17 -2.358 -44.929 -19.818 1.00 28.54 H new ATOM 0 HA GLU B 17 -3.958 -43.893 -17.764 1.00 28.12 H new ATOM 0 HB2 GLU B 17 -4.679 -46.064 -17.452 1.00 28.76 H new ATOM 0 HB3 GLU B 17 -4.219 -46.020 -19.142 1.00 28.76 H new ATOM 0 HG2 GLU B 17 -2.652 -47.230 -16.846 1.00 28.83 H new ATOM 0 HG3 GLU B 17 -3.428 -48.082 -18.167 1.00 28.83 H new ATOM 1496 N ASN B 18 -0.983 -44.905 -16.963 1.00 27.58 N ATOM 1497 CA ASN B 18 0.037 -44.905 -15.936 1.00 27.16 C ATOM 1498 C ASN B 18 0.463 -43.472 -15.735 1.00 26.33 C ATOM 1499 O ASN B 18 0.757 -43.034 -14.625 1.00 26.18 O ATOM 1500 CB ASN B 18 1.234 -45.743 -16.369 1.00 27.37 C ATOM 1501 CG ASN B 18 1.517 -45.607 -17.853 1.00 27.17 C ATOM 1502 OD1 ASN B 18 1.197 -44.594 -18.474 1.00 26.74 O ATOM 1503 ND2 ASN B 18 2.118 -46.636 -18.433 1.00 27.56 N ATOM 0 H ASN B 18 -0.635 -45.122 -17.897 1.00 27.58 H new ATOM 0 HA ASN B 18 -0.353 -45.334 -15.013 1.00 27.16 H new ATOM 0 HB2 ASN B 18 2.114 -45.438 -15.803 1.00 27.37 H new ATOM 0 HB3 ASN B 18 1.049 -46.790 -16.130 1.00 27.37 H new ATOM 0 HD21 ASN B 18 2.332 -46.606 -19.430 1.00 27.56 H new ATOM 0 HD22 ASN B 18 2.367 -47.458 -17.882 1.00 27.56 H new ATOM 1510 N ARG B 19 0.449 -42.741 -16.843 1.00 25.86 N ATOM 1511 CA ARG B 19 0.786 -41.341 -16.841 1.00 25.09 C ATOM 1512 C ARG B 19 -0.336 -40.574 -16.183 1.00 24.28 C ATOM 1513 O ARG B 19 -0.228 -39.376 -15.947 1.00 23.72 O ATOM 1514 CB ARG B 19 1.022 -40.841 -18.263 1.00 24.95 C ATOM 1515 CG ARG B 19 2.484 -40.581 -18.576 1.00 25.02 C ATOM 1516 CD ARG B 19 3.248 -41.876 -18.810 1.00 25.65 C ATOM 1517 NE ARG B 19 3.203 -42.764 -17.650 1.00 25.93 N ATOM 1518 CZ ARG B 19 3.725 -42.464 -16.466 1.00 26.41 C ATOM 1519 NH1 ARG B 19 4.354 -41.311 -16.284 1.00 26.67 N ATOM 1520 NH2 ARG B 19 3.619 -43.318 -15.459 1.00 26.71 N ATOM 0 H ARG B 19 0.203 -43.110 -17.761 1.00 25.86 H new ATOM 0 HA ARG B 19 1.709 -41.188 -16.282 1.00 25.09 H new ATOM 0 HB2 ARG B 19 0.632 -41.576 -18.968 1.00 24.95 H new ATOM 0 HB3 ARG B 19 0.456 -39.922 -18.415 1.00 24.95 H new ATOM 0 HG2 ARG B 19 2.560 -39.949 -19.461 1.00 25.02 H new ATOM 0 HG3 ARG B 19 2.941 -40.033 -17.752 1.00 25.02 H new ATOM 0 HD2 ARG B 19 2.830 -42.391 -19.675 1.00 25.65 H new ATOM 0 HD3 ARG B 19 4.286 -41.645 -19.048 1.00 25.65 H new ATOM 0 HE ARG B 19 2.743 -43.668 -17.756 1.00 25.93 H new ATOM 0 HH11 ARG B 19 4.439 -40.649 -17.055 1.00 26.67 H new ATOM 0 HH12 ARG B 19 4.753 -41.086 -15.373 1.00 26.67 H new ATOM 0 HH21 ARG B 19 3.136 -44.207 -15.593 1.00 26.71 H new ATOM 0 HH22 ARG B 19 4.020 -43.087 -14.550 1.00 26.71 H new ATOM 1534 N ASP B 20 -1.410 -41.294 -15.856 1.00 24.30 N ATOM 1535 CA ASP B 20 -2.539 -40.691 -15.180 1.00 23.61 C ATOM 1536 C ASP B 20 -2.001 -39.945 -13.996 1.00 22.79 C ATOM 1537 O ASP B 20 -2.486 -38.875 -13.632 1.00 22.56 O ATOM 1538 CB ASP B 20 -3.514 -41.757 -14.696 1.00 24.06 C ATOM 1539 CG ASP B 20 -3.059 -42.379 -13.389 1.00 23.62 C ATOM 1540 OD1 ASP B 20 -1.973 -42.998 -13.373 1.00 23.49 O ATOM 1541 OD2 ASP B 20 -3.775 -42.232 -12.378 1.00 23.48 O ATOM 0 H ASP B 20 -1.513 -42.290 -16.051 1.00 24.30 H new ATOM 0 HA ASP B 20 -3.072 -40.030 -15.864 1.00 23.61 H new ATOM 0 HB2 ASP B 20 -4.502 -41.315 -14.565 1.00 24.06 H new ATOM 0 HB3 ASP B 20 -3.611 -42.534 -15.455 1.00 24.06 H new ATOM 1546 N LEU B 21 -0.957 -40.528 -13.418 1.00 22.46 N ATOM 1547 CA LEU B 21 -0.298 -39.937 -12.293 1.00 21.76 C ATOM 1548 C LEU B 21 -0.050 -38.483 -12.609 1.00 20.84 C ATOM 1549 O LEU B 21 -0.408 -37.615 -11.825 1.00 20.32 O ATOM 1550 CB LEU B 21 1.012 -40.678 -11.981 1.00 21.92 C ATOM 1551 CG LEU B 21 2.276 -40.110 -12.631 1.00 22.37 C ATOM 1552 CD1 LEU B 21 3.506 -40.497 -11.831 1.00 22.89 C ATOM 1553 CD2 LEU B 21 2.404 -40.594 -14.064 1.00 22.42 C ATOM 0 H LEU B 21 -0.558 -41.415 -13.723 1.00 22.46 H new ATOM 0 HA LEU B 21 -0.923 -40.014 -11.403 1.00 21.76 H new ATOM 0 HB2 LEU B 21 1.154 -40.684 -10.900 1.00 21.92 H new ATOM 0 HB3 LEU B 21 0.902 -41.716 -12.293 1.00 21.92 H new ATOM 0 HG LEU B 21 2.197 -39.023 -12.640 1.00 22.37 H new ATOM 0 HD11 LEU B 21 4.395 -40.084 -12.308 1.00 22.89 H new ATOM 0 HD12 LEU B 21 3.421 -40.102 -10.819 1.00 22.89 H new ATOM 0 HD13 LEU B 21 3.587 -41.583 -11.791 1.00 22.89 H new ATOM 0 HD21 LEU B 21 3.309 -40.179 -14.509 1.00 22.42 H new ATOM 0 HD22 LEU B 21 2.459 -41.683 -14.077 1.00 22.42 H new ATOM 0 HD23 LEU B 21 1.536 -40.268 -14.637 1.00 22.42 H new ATOM 1565 N GLU B 22 0.540 -38.237 -13.785 1.00 20.72 N ATOM 1566 CA GLU B 22 0.834 -36.890 -14.243 1.00 19.93 C ATOM 1567 C GLU B 22 1.136 -36.010 -13.061 1.00 19.41 C ATOM 1568 O GLU B 22 0.723 -34.852 -13.001 1.00 19.74 O ATOM 1569 CB GLU B 22 -0.341 -36.327 -15.037 1.00 20.20 C ATOM 1570 CG GLU B 22 0.003 -36.014 -16.482 1.00 20.30 C ATOM 1571 CD GLU B 22 0.969 -37.015 -17.084 1.00 19.89 C ATOM 1572 OE1 GLU B 22 2.185 -36.899 -16.826 1.00 19.52 O ATOM 1573 OE2 GLU B 22 0.509 -37.914 -17.816 1.00 20.02 O ATOM 0 H GLU B 22 0.823 -38.968 -14.437 1.00 20.72 H new ATOM 0 HA GLU B 22 1.705 -36.920 -14.898 1.00 19.93 H new ATOM 0 HB2 GLU B 22 -1.162 -37.043 -15.014 1.00 20.20 H new ATOM 0 HB3 GLU B 22 -0.697 -35.419 -14.551 1.00 20.20 H new ATOM 0 HG2 GLU B 22 -0.912 -35.998 -17.074 1.00 20.30 H new ATOM 0 HG3 GLU B 22 0.438 -35.016 -16.540 1.00 20.30 H new ATOM 1580 N ARG B 23 1.826 -36.597 -12.096 1.00 18.69 N ATOM 1581 CA ARG B 23 2.150 -35.905 -10.882 1.00 18.19 C ATOM 1582 C ARG B 23 3.284 -34.943 -11.075 1.00 17.33 C ATOM 1583 O ARG B 23 4.076 -34.706 -10.167 1.00 17.06 O ATOM 1584 CB ARG B 23 2.435 -36.887 -9.755 1.00 18.28 C ATOM 1585 CG ARG B 23 1.176 -37.324 -9.015 1.00 18.65 C ATOM 1586 CD ARG B 23 0.191 -36.172 -8.819 1.00 18.48 C ATOM 1587 NE ARG B 23 -0.758 -36.063 -9.928 1.00 18.13 N ATOM 1588 CZ ARG B 23 -0.885 -34.987 -10.704 1.00 17.91 C ATOM 1589 NH1 ARG B 23 -0.153 -33.905 -10.479 1.00 18.00 N ATOM 1590 NH2 ARG B 23 -1.746 -34.996 -11.713 1.00 17.74 N ATOM 0 H ARG B 23 2.169 -37.556 -12.141 1.00 18.69 H new ATOM 0 HA ARG B 23 1.279 -35.315 -10.597 1.00 18.19 H new ATOM 0 HB2 ARG B 23 2.934 -37.766 -10.163 1.00 18.28 H new ATOM 0 HB3 ARG B 23 3.126 -36.429 -9.047 1.00 18.28 H new ATOM 0 HG2 ARG B 23 0.689 -38.125 -9.572 1.00 18.65 H new ATOM 0 HG3 ARG B 23 1.452 -37.733 -8.043 1.00 18.65 H new ATOM 0 HD2 ARG B 23 -0.356 -36.318 -7.888 1.00 18.48 H new ATOM 0 HD3 ARG B 23 0.743 -35.237 -8.721 1.00 18.48 H new ATOM 0 HE ARG B 23 -1.361 -36.863 -10.119 1.00 18.13 H new ATOM 0 HH11 ARG B 23 0.514 -33.892 -9.707 1.00 18.00 H new ATOM 0 HH12 ARG B 23 -0.256 -33.086 -11.078 1.00 18.00 H new ATOM 0 HH21 ARG B 23 -2.310 -35.826 -11.894 1.00 17.74 H new ATOM 0 HH22 ARG B 23 -1.844 -34.173 -12.307 1.00 17.74 H new ATOM 1604 N VAL B 24 3.313 -34.330 -12.244 1.00 17.00 N ATOM 1605 CA VAL B 24 4.299 -33.328 -12.522 1.00 16.23 C ATOM 1606 C VAL B 24 4.079 -32.211 -11.530 1.00 15.49 C ATOM 1607 O VAL B 24 4.936 -31.351 -11.336 1.00 15.64 O ATOM 1608 CB VAL B 24 4.157 -32.782 -13.950 1.00 16.53 C ATOM 1609 CG1 VAL B 24 4.418 -33.881 -14.963 1.00 16.12 C ATOM 1610 CG2 VAL B 24 2.775 -32.179 -14.153 1.00 17.37 C ATOM 0 H VAL B 24 2.663 -34.515 -13.008 1.00 17.00 H new ATOM 0 HA VAL B 24 5.298 -33.755 -12.437 1.00 16.23 H new ATOM 0 HB VAL B 24 4.897 -31.996 -14.098 1.00 16.53 H new ATOM 0 HG11 VAL B 24 4.314 -33.479 -15.971 1.00 16.12 H new ATOM 0 HG12 VAL B 24 5.429 -34.267 -14.829 1.00 16.12 H new ATOM 0 HG13 VAL B 24 3.699 -34.688 -14.818 1.00 16.12 H new ATOM 0 HG21 VAL B 24 2.691 -31.797 -15.170 1.00 17.37 H new ATOM 0 HG22 VAL B 24 2.016 -32.944 -13.989 1.00 17.37 H new ATOM 0 HG23 VAL B 24 2.626 -31.363 -13.445 1.00 17.37 H new ATOM 1620 N VAL B 25 2.891 -32.265 -10.905 1.00 14.81 N ATOM 1621 CA VAL B 25 2.467 -31.296 -9.911 1.00 14.13 C ATOM 1622 C VAL B 25 3.143 -29.978 -10.144 1.00 13.38 C ATOM 1623 O VAL B 25 3.808 -29.443 -9.256 1.00 13.23 O ATOM 1624 CB VAL B 25 2.749 -31.767 -8.474 1.00 14.18 C ATOM 1625 CG1 VAL B 25 1.706 -32.778 -8.035 1.00 13.94 C ATOM 1626 CG2 VAL B 25 4.148 -32.348 -8.360 1.00 14.46 C ATOM 0 H VAL B 25 2.200 -32.993 -11.085 1.00 14.81 H new ATOM 0 HA VAL B 25 1.388 -31.186 -10.020 1.00 14.13 H new ATOM 0 HB VAL B 25 2.691 -30.904 -7.811 1.00 14.18 H new ATOM 0 HG11 VAL B 25 1.919 -33.102 -7.016 1.00 13.94 H new ATOM 0 HG12 VAL B 25 0.718 -32.320 -8.071 1.00 13.94 H new ATOM 0 HG13 VAL B 25 1.731 -33.640 -8.702 1.00 13.94 H new ATOM 0 HG21 VAL B 25 4.324 -32.674 -7.335 1.00 14.46 H new ATOM 0 HG22 VAL B 25 4.244 -33.200 -9.033 1.00 14.46 H new ATOM 0 HG23 VAL B 25 4.881 -31.588 -8.630 1.00 14.46 H new ATOM 1636 N THR B 26 2.973 -29.469 -11.357 1.00 13.07 N ATOM 1637 CA THR B 26 3.561 -28.207 -11.741 1.00 12.47 C ATOM 1638 C THR B 26 3.472 -27.234 -10.588 1.00 11.78 C ATOM 1639 O THR B 26 4.368 -26.413 -10.400 1.00 11.91 O ATOM 1640 CB THR B 26 2.854 -27.619 -12.966 1.00 12.87 C ATOM 1641 OG1 THR B 26 1.649 -28.349 -13.224 1.00 13.71 O ATOM 1642 CG2 THR B 26 3.759 -27.676 -14.185 1.00 12.94 C ATOM 0 H THR B 26 2.428 -29.920 -12.092 1.00 13.07 H new ATOM 0 HA THR B 26 4.606 -28.380 -11.999 1.00 12.47 H new ATOM 0 HB THR B 26 2.612 -26.576 -12.761 1.00 12.87 H new ATOM 0 HG1 THR B 26 1.198 -27.970 -14.007 1.00 13.71 H new ATOM 0 HG21 THR B 26 3.239 -27.254 -15.045 1.00 12.94 H new ATOM 0 HG22 THR B 26 4.666 -27.103 -13.992 1.00 12.94 H new ATOM 0 HG23 THR B 26 4.023 -28.713 -14.394 1.00 12.94 H new ATOM 1650 N ALA B 27 2.387 -27.378 -9.809 1.00 11.17 N ATOM 1651 CA ALA B 27 2.134 -26.556 -8.629 1.00 10.52 C ATOM 1652 C ALA B 27 3.058 -25.360 -8.599 1.00 9.95 C ATOM 1653 O ALA B 27 3.974 -25.306 -7.783 1.00 9.71 O ATOM 1654 CB ALA B 27 2.302 -27.386 -7.367 1.00 10.28 C ATOM 0 H ALA B 27 1.662 -28.073 -9.987 1.00 11.17 H new ATOM 0 HA ALA B 27 1.108 -26.192 -8.677 1.00 10.52 H new ATOM 0 HB1 ALA B 27 2.111 -26.763 -6.493 1.00 10.28 H new ATOM 0 HB2 ALA B 27 1.597 -28.217 -7.381 1.00 10.28 H new ATOM 0 HB3 ALA B 27 3.319 -27.775 -7.320 1.00 10.28 H new ATOM 1660 N PRO B 28 2.838 -24.405 -9.525 1.00 9.96 N ATOM 1661 CA PRO B 28 3.641 -23.203 -9.663 1.00 9.63 C ATOM 1662 C PRO B 28 4.262 -22.740 -8.360 1.00 8.60 C ATOM 1663 O PRO B 28 3.764 -21.830 -7.705 1.00 8.30 O ATOM 1664 CB PRO B 28 2.621 -22.196 -10.171 1.00 10.21 C ATOM 1665 CG PRO B 28 1.680 -23.000 -11.010 1.00 10.68 C ATOM 1666 CD PRO B 28 1.774 -24.434 -10.541 1.00 10.54 C ATOM 0 HA PRO B 28 4.500 -23.351 -10.318 1.00 9.63 H new ATOM 0 HB2 PRO B 28 2.100 -21.710 -9.346 1.00 10.21 H new ATOM 0 HB3 PRO B 28 3.098 -21.409 -10.755 1.00 10.21 H new ATOM 0 HG2 PRO B 28 0.660 -22.628 -10.908 1.00 10.68 H new ATOM 0 HG3 PRO B 28 1.943 -22.922 -12.065 1.00 10.68 H new ATOM 0 HD2 PRO B 28 0.830 -24.780 -10.121 1.00 10.54 H new ATOM 0 HD3 PRO B 28 2.023 -25.107 -11.361 1.00 10.54 H new ATOM 1674 N VAL B 29 5.365 -23.370 -7.998 1.00 8.25 N ATOM 1675 CA VAL B 29 6.071 -23.018 -6.787 1.00 7.38 C ATOM 1676 C VAL B 29 6.814 -21.721 -7.019 1.00 6.86 C ATOM 1677 O VAL B 29 7.205 -21.027 -6.083 1.00 6.83 O ATOM 1678 CB VAL B 29 7.063 -24.115 -6.376 1.00 7.36 C ATOM 1679 CG1 VAL B 29 6.331 -25.254 -5.687 1.00 7.30 C ATOM 1680 CG2 VAL B 29 7.828 -24.623 -7.589 1.00 8.00 C ATOM 0 H VAL B 29 5.790 -24.130 -8.530 1.00 8.25 H new ATOM 0 HA VAL B 29 5.347 -22.906 -5.980 1.00 7.38 H new ATOM 0 HB VAL B 29 7.781 -23.691 -5.674 1.00 7.36 H new ATOM 0 HG11 VAL B 29 7.046 -26.025 -5.401 1.00 7.30 H new ATOM 0 HG12 VAL B 29 5.828 -24.877 -4.797 1.00 7.30 H new ATOM 0 HG13 VAL B 29 5.594 -25.678 -6.369 1.00 7.30 H new ATOM 0 HG21 VAL B 29 8.527 -25.400 -7.279 1.00 8.00 H new ATOM 0 HG22 VAL B 29 7.127 -25.034 -8.315 1.00 8.00 H new ATOM 0 HG23 VAL B 29 8.379 -23.799 -8.043 1.00 8.00 H new ATOM 1690 N SER B 30 6.984 -21.405 -8.294 1.00 6.76 N ATOM 1691 CA SER B 30 7.659 -20.192 -8.707 1.00 6.54 C ATOM 1692 C SER B 30 6.703 -19.017 -8.655 1.00 5.55 C ATOM 1693 O SER B 30 7.111 -17.876 -8.462 1.00 5.55 O ATOM 1694 CB SER B 30 8.186 -20.352 -10.128 1.00 7.31 C ATOM 1695 OG SER B 30 7.135 -20.693 -11.016 1.00 8.13 O ATOM 0 H SER B 30 6.657 -21.984 -9.068 1.00 6.76 H new ATOM 0 HA SER B 30 8.491 -20.007 -8.028 1.00 6.54 H new ATOM 0 HB2 SER B 30 8.657 -19.424 -10.453 1.00 7.31 H new ATOM 0 HB3 SER B 30 8.954 -21.125 -10.152 1.00 7.31 H new ATOM 0 HG SER B 30 7.492 -20.790 -11.924 1.00 8.13 H new ATOM 1701 N SER B 31 5.425 -19.307 -8.840 1.00 5.05 N ATOM 1702 CA SER B 31 4.405 -18.275 -8.824 1.00 4.38 C ATOM 1703 C SER B 31 4.473 -17.464 -7.537 1.00 3.76 C ATOM 1704 O SER B 31 4.660 -16.249 -7.570 1.00 4.12 O ATOM 1705 CB SER B 31 3.019 -18.900 -8.974 1.00 4.89 C ATOM 1706 OG SER B 31 2.639 -19.586 -7.795 1.00 5.76 O ATOM 0 H SER B 31 5.071 -20.250 -9.003 1.00 5.05 H new ATOM 0 HA SER B 31 4.587 -17.604 -9.664 1.00 4.38 H new ATOM 0 HB2 SER B 31 2.288 -18.123 -9.198 1.00 4.89 H new ATOM 0 HB3 SER B 31 3.017 -19.591 -9.817 1.00 4.89 H new ATOM 0 HG SER B 31 3.197 -20.384 -7.687 1.00 5.76 H new ATOM 1712 N GLY B 32 4.314 -18.144 -6.409 1.00 3.21 N ATOM 1713 CA GLY B 32 4.349 -17.476 -5.124 1.00 3.08 C ATOM 1714 C GLY B 32 5.613 -16.672 -4.900 1.00 2.11 C ATOM 1715 O GLY B 32 5.609 -15.710 -4.136 1.00 2.56 O ATOM 0 H GLY B 32 4.161 -19.151 -6.362 1.00 3.21 H new ATOM 0 HA2 GLY B 32 3.487 -16.814 -5.043 1.00 3.08 H new ATOM 0 HA3 GLY B 32 4.255 -18.220 -4.333 1.00 3.08 H new ATOM 1719 N LYS B 33 6.699 -17.072 -5.557 1.00 1.35 N ATOM 1720 CA LYS B 33 7.987 -16.393 -5.414 1.00 0.80 C ATOM 1721 C LYS B 33 7.869 -14.875 -5.529 1.00 0.59 C ATOM 1722 O LYS B 33 8.734 -14.149 -5.046 1.00 0.58 O ATOM 1723 CB LYS B 33 8.977 -16.900 -6.459 1.00 1.23 C ATOM 1724 CG LYS B 33 9.290 -18.381 -6.338 1.00 2.23 C ATOM 1725 CD LYS B 33 10.079 -18.683 -5.077 1.00 3.13 C ATOM 1726 CE LYS B 33 9.293 -19.571 -4.129 1.00 4.15 C ATOM 1727 NZ LYS B 33 7.856 -19.187 -4.066 1.00 4.99 N ATOM 0 H LYS B 33 6.714 -17.866 -6.197 1.00 1.35 H new ATOM 0 HA LYS B 33 8.348 -16.624 -4.412 1.00 0.80 H new ATOM 0 HB2 LYS B 33 8.575 -16.703 -7.453 1.00 1.23 H new ATOM 0 HB3 LYS B 33 9.904 -16.334 -6.372 1.00 1.23 H new ATOM 0 HG2 LYS B 33 8.361 -18.951 -6.332 1.00 2.23 H new ATOM 0 HG3 LYS B 33 9.858 -18.706 -7.210 1.00 2.23 H new ATOM 0 HD2 LYS B 33 11.017 -19.171 -5.341 1.00 3.13 H new ATOM 0 HD3 LYS B 33 10.336 -17.750 -4.575 1.00 3.13 H new ATOM 0 HE2 LYS B 33 9.377 -20.609 -4.451 1.00 4.15 H new ATOM 0 HE3 LYS B 33 9.728 -19.511 -3.131 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 7.401 -19.675 -3.268 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 7.777 -18.159 -3.933 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 7.385 -19.459 -4.952 1.00 4.99 H new ATOM 1741 N ILE B 34 6.816 -14.391 -6.176 1.00 0.67 N ATOM 1742 CA ILE B 34 6.639 -12.952 -6.341 1.00 0.59 C ATOM 1743 C ILE B 34 5.305 -12.471 -5.784 1.00 0.57 C ATOM 1744 O ILE B 34 4.282 -13.146 -5.903 1.00 0.68 O ATOM 1745 CB ILE B 34 6.747 -12.533 -7.819 1.00 0.78 C ATOM 1746 CG1 ILE B 34 6.147 -13.607 -8.726 1.00 1.38 C ATOM 1747 CG2 ILE B 34 8.199 -12.273 -8.190 1.00 1.45 C ATOM 1748 CD1 ILE B 34 5.083 -13.081 -9.661 1.00 1.92 C ATOM 0 H ILE B 34 6.080 -14.964 -6.590 1.00 0.67 H new ATOM 0 HA ILE B 34 7.444 -12.483 -5.775 1.00 0.59 H new ATOM 0 HB ILE B 34 6.183 -11.611 -7.959 1.00 0.78 H new ATOM 0 HG12 ILE B 34 6.944 -14.061 -9.314 1.00 1.38 H new ATOM 0 HG13 ILE B 34 5.718 -14.396 -8.108 1.00 1.38 H new ATOM 0 HG21 ILE B 34 8.260 -11.978 -9.238 1.00 1.45 H new ATOM 0 HG22 ILE B 34 8.597 -11.474 -7.564 1.00 1.45 H new ATOM 0 HG23 ILE B 34 8.782 -13.181 -8.034 1.00 1.45 H new ATOM 0 HD11 ILE B 34 4.702 -13.897 -10.274 1.00 1.92 H new ATOM 0 HD12 ILE B 34 4.267 -12.653 -9.079 1.00 1.92 H new ATOM 0 HD13 ILE B 34 5.512 -12.313 -10.305 1.00 1.92 H new ATOM 1760 N LYS B 35 5.332 -11.285 -5.184 1.00 0.54 N ATOM 1761 CA LYS B 35 4.142 -10.671 -4.608 1.00 0.58 C ATOM 1762 C LYS B 35 4.014 -9.233 -5.096 1.00 0.59 C ATOM 1763 O LYS B 35 4.983 -8.648 -5.577 1.00 0.67 O ATOM 1764 CB LYS B 35 4.215 -10.701 -3.080 1.00 0.70 C ATOM 1765 CG LYS B 35 3.374 -11.799 -2.450 1.00 0.94 C ATOM 1766 CD LYS B 35 4.056 -13.153 -2.552 1.00 1.25 C ATOM 1767 CE LYS B 35 3.407 -14.172 -1.631 1.00 1.12 C ATOM 1768 NZ LYS B 35 2.529 -15.114 -2.377 1.00 1.30 N ATOM 0 H LYS B 35 6.178 -10.724 -5.084 1.00 0.54 H new ATOM 0 HA LYS B 35 3.266 -11.236 -4.926 1.00 0.58 H new ATOM 0 HB2 LYS B 35 5.254 -10.832 -2.777 1.00 0.70 H new ATOM 0 HB3 LYS B 35 3.889 -9.737 -2.690 1.00 0.70 H new ATOM 0 HG2 LYS B 35 3.190 -11.561 -1.402 1.00 0.94 H new ATOM 0 HG3 LYS B 35 2.403 -11.842 -2.942 1.00 0.94 H new ATOM 0 HD2 LYS B 35 4.009 -13.509 -3.581 1.00 1.25 H new ATOM 0 HD3 LYS B 35 5.111 -13.051 -2.298 1.00 1.25 H new ATOM 0 HE2 LYS B 35 4.181 -14.734 -1.108 1.00 1.12 H new ATOM 0 HE3 LYS B 35 2.821 -13.654 -0.872 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 2.105 -15.793 -1.713 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 1.775 -14.581 -2.855 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 3.092 -15.627 -3.085 1.00 1.30 H new ATOM 1782 N ARG B 36 2.822 -8.665 -4.975 1.00 0.63 N ATOM 1783 CA ARG B 36 2.591 -7.295 -5.414 1.00 0.65 C ATOM 1784 C ARG B 36 2.112 -6.423 -4.261 1.00 0.63 C ATOM 1785 O ARG B 36 1.226 -6.811 -3.500 1.00 0.77 O ATOM 1786 CB ARG B 36 1.569 -7.266 -6.548 1.00 0.72 C ATOM 1787 CG ARG B 36 0.372 -8.166 -6.305 1.00 1.52 C ATOM 1788 CD ARG B 36 0.392 -9.372 -7.226 1.00 1.83 C ATOM 1789 NE ARG B 36 -0.263 -9.093 -8.498 1.00 2.61 N ATOM 1790 CZ ARG B 36 0.389 -8.739 -9.599 1.00 3.31 C ATOM 1791 NH1 ARG B 36 1.710 -8.623 -9.586 1.00 3.37 N ATOM 1792 NH2 ARG B 36 -0.281 -8.500 -10.716 1.00 4.33 N ATOM 0 H ARG B 36 2.004 -9.128 -4.579 1.00 0.63 H new ATOM 0 HA ARG B 36 3.538 -6.895 -5.776 1.00 0.65 H new ATOM 0 HB2 ARG B 36 1.222 -6.242 -6.688 1.00 0.72 H new ATOM 0 HB3 ARG B 36 2.058 -7.566 -7.475 1.00 0.72 H new ATOM 0 HG2 ARG B 36 0.369 -8.499 -5.267 1.00 1.52 H new ATOM 0 HG3 ARG B 36 -0.547 -7.602 -6.461 1.00 1.52 H new ATOM 0 HD2 ARG B 36 1.424 -9.674 -7.407 1.00 1.83 H new ATOM 0 HD3 ARG B 36 -0.105 -10.210 -6.738 1.00 1.83 H new ATOM 0 HE ARG B 36 -1.279 -9.174 -8.545 1.00 2.61 H new ATOM 0 HH11 ARG B 36 2.230 -8.806 -8.728 1.00 3.37 H new ATOM 0 HH12 ARG B 36 2.206 -8.351 -10.434 1.00 3.37 H new ATOM 0 HH21 ARG B 36 -1.297 -8.588 -10.730 1.00 4.33 H new ATOM 0 HH22 ARG B 36 0.219 -8.228 -11.562 1.00 4.33 H new ATOM 1806 N VAL B 37 2.708 -5.242 -4.142 1.00 0.53 N ATOM 1807 CA VAL B 37 2.349 -4.307 -3.085 1.00 0.56 C ATOM 1808 C VAL B 37 2.234 -2.889 -3.631 1.00 0.49 C ATOM 1809 O VAL B 37 3.220 -2.305 -4.081 1.00 0.49 O ATOM 1810 CB VAL B 37 3.384 -4.328 -1.943 1.00 0.71 C ATOM 1811 CG1 VAL B 37 3.024 -3.313 -0.868 1.00 0.92 C ATOM 1812 CG2 VAL B 37 3.493 -5.724 -1.349 1.00 1.36 C ATOM 0 H VAL B 37 3.443 -4.910 -4.766 1.00 0.53 H new ATOM 0 HA VAL B 37 1.383 -4.622 -2.691 1.00 0.56 H new ATOM 0 HB VAL B 37 4.354 -4.053 -2.356 1.00 0.71 H new ATOM 0 HG11 VAL B 37 3.768 -3.346 -0.073 1.00 0.92 H new ATOM 0 HG12 VAL B 37 3.002 -2.314 -1.303 1.00 0.92 H new ATOM 0 HG13 VAL B 37 2.043 -3.551 -0.457 1.00 0.92 H new ATOM 0 HG21 VAL B 37 4.228 -5.721 -0.544 1.00 1.36 H new ATOM 0 HG22 VAL B 37 2.524 -6.028 -0.954 1.00 1.36 H new ATOM 0 HG23 VAL B 37 3.805 -6.425 -2.123 1.00 1.36 H new ATOM 1822 N ASN B 38 1.025 -2.342 -3.587 1.00 0.54 N ATOM 1823 CA ASN B 38 0.782 -0.992 -4.074 1.00 0.54 C ATOM 1824 C ASN B 38 1.067 0.033 -2.983 1.00 0.52 C ATOM 1825 O ASN B 38 0.357 0.103 -1.981 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.662 -0.851 -4.558 1.00 0.66 C ATOM 1827 CG ASN B 38 -0.999 0.572 -4.956 1.00 0.92 C ATOM 1828 OD1 ASN B 38 -0.461 1.014 -6.086 1.00 1.67 O flip ATOM 1829 ND2 ASN B 38 -1.731 1.267 -4.255 1.00 1.37 N flip ATOM 0 H ASN B 38 0.199 -2.813 -3.219 1.00 0.54 H new ATOM 0 HA ASN B 38 1.455 -0.807 -4.911 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.824 -1.512 -5.410 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.341 -1.176 -3.769 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -2.123 0.887 -3.394 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -1.946 2.224 -4.535 1.00 1.37 H new ATOM 1836 N VAL B 39 2.114 0.826 -3.182 1.00 0.48 N ATOM 1837 CA VAL B 39 2.494 1.846 -2.215 1.00 0.49 C ATOM 1838 C VAL B 39 2.471 3.230 -2.845 1.00 0.46 C ATOM 1839 O VAL B 39 2.821 3.397 -4.013 1.00 0.48 O ATOM 1840 CB VAL B 39 3.899 1.585 -1.632 1.00 0.54 C ATOM 1841 CG1 VAL B 39 3.933 1.929 -0.151 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.322 0.141 -1.859 1.00 0.54 C ATOM 0 H VAL B 39 2.714 0.781 -4.005 1.00 0.48 H new ATOM 0 HA VAL B 39 1.763 1.799 -1.408 1.00 0.49 H new ATOM 0 HB VAL B 39 4.608 2.229 -2.152 1.00 0.54 H new ATOM 0 HG11 VAL B 39 4.931 1.739 0.244 1.00 0.77 H new ATOM 0 HG12 VAL B 39 3.684 2.982 -0.016 1.00 0.77 H new ATOM 0 HG13 VAL B 39 3.209 1.313 0.382 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.315 -0.017 -1.439 1.00 0.54 H new ATOM 0 HG22 VAL B 39 3.612 -0.527 -1.372 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.343 -0.068 -2.929 1.00 0.54 H new ATOM 1852 N ASN B 40 2.059 4.222 -2.065 1.00 0.52 N ATOM 1853 CA ASN B 40 1.995 5.591 -2.551 1.00 0.57 C ATOM 1854 C ASN B 40 2.964 6.481 -1.783 1.00 0.56 C ATOM 1855 O ASN B 40 2.843 6.650 -0.569 1.00 0.72 O ATOM 1856 CB ASN B 40 0.570 6.135 -2.442 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.030 5.933 -1.066 1.00 1.47 C ATOM 1858 OD1 ASN B 40 -0.005 6.835 -0.229 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -0.577 4.749 -0.826 1.00 1.99 N ATOM 0 H ASN B 40 1.765 4.103 -1.096 1.00 0.52 H new ATOM 0 HA ASN B 40 2.286 5.593 -3.601 1.00 0.57 H new ATOM 0 HB2 ASN B 40 0.573 7.199 -2.680 1.00 0.77 H new ATOM 0 HB3 ASN B 40 -0.060 5.644 -3.184 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -1.000 4.557 0.082 1.00 1.99 H new ATOM 0 HD22 ASN B 40 -0.575 4.030 -1.550 1.00 1.99 H new ATOM 1866 N PHE B 41 3.933 7.041 -2.499 1.00 0.48 N ATOM 1867 CA PHE B 41 4.935 7.905 -1.890 1.00 0.55 C ATOM 1868 C PHE B 41 4.616 9.375 -2.134 1.00 0.60 C ATOM 1869 O PHE B 41 3.662 9.709 -2.836 1.00 0.76 O ATOM 1870 CB PHE B 41 6.323 7.576 -2.443 1.00 0.66 C ATOM 1871 CG PHE B 41 6.587 6.102 -2.574 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.503 5.269 -1.469 1.00 1.04 C ATOM 1873 CD2 PHE B 41 6.916 5.551 -3.801 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.743 3.914 -1.586 1.00 1.08 C ATOM 1875 CE2 PHE B 41 7.157 4.196 -3.924 1.00 1.26 C ATOM 1876 CZ PHE B 41 7.071 3.376 -2.816 1.00 0.93 C ATOM 0 H PHE B 41 4.045 6.911 -3.504 1.00 0.48 H new ATOM 0 HA PHE B 41 4.924 7.726 -0.815 1.00 0.55 H new ATOM 0 HB2 PHE B 41 6.435 8.045 -3.421 1.00 0.66 H new ATOM 0 HB3 PHE B 41 7.078 8.015 -1.791 1.00 0.66 H new ATOM 0 HD1 PHE B 41 6.247 5.684 -0.506 1.00 1.04 H new ATOM 0 HD2 PHE B 41 6.985 6.187 -4.671 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.674 3.276 -0.718 1.00 1.08 H new ATOM 0 HE2 PHE B 41 7.413 3.778 -4.887 1.00 1.26 H new ATOM 0 HZ PHE B 41 7.260 2.317 -2.911 1.00 0.93 H new ATOM 1886 N ASP B 42 5.425 10.246 -1.546 1.00 0.56 N ATOM 1887 CA ASP B 42 5.246 11.685 -1.688 1.00 0.59 C ATOM 1888 C ASP B 42 5.812 12.172 -3.020 1.00 0.54 C ATOM 1889 O ASP B 42 6.671 11.517 -3.613 1.00 0.51 O ATOM 1890 CB ASP B 42 5.929 12.404 -0.522 1.00 0.68 C ATOM 1891 CG ASP B 42 5.921 13.911 -0.672 1.00 1.22 C ATOM 1892 OD1 ASP B 42 4.865 14.468 -1.035 1.00 1.66 O ATOM 1893 OD2 ASP B 42 6.972 14.536 -0.422 1.00 2.03 O ATOM 0 H ASP B 42 6.217 9.979 -0.962 1.00 0.56 H new ATOM 0 HA ASP B 42 4.180 11.911 -1.673 1.00 0.59 H new ATOM 0 HB2 ASP B 42 5.428 12.134 0.408 1.00 0.68 H new ATOM 0 HB3 ASP B 42 6.959 12.058 -0.442 1.00 0.68 H new ATOM 1898 N GLU B 43 5.328 13.324 -3.484 1.00 0.63 N ATOM 1899 CA GLU B 43 5.790 13.900 -4.745 1.00 0.67 C ATOM 1900 C GLU B 43 7.309 14.020 -4.750 1.00 0.56 C ATOM 1901 O GLU B 43 7.965 13.710 -5.744 1.00 0.60 O ATOM 1902 CB GLU B 43 5.163 15.278 -4.964 1.00 0.87 C ATOM 1903 CG GLU B 43 4.292 15.361 -6.206 1.00 1.09 C ATOM 1904 CD GLU B 43 5.098 15.401 -7.491 1.00 1.11 C ATOM 1905 OE1 GLU B 43 6.277 15.809 -7.441 1.00 1.63 O ATOM 1906 OE2 GLU B 43 4.548 15.027 -8.547 1.00 1.73 O ATOM 0 H GLU B 43 4.616 13.876 -3.005 1.00 0.63 H new ATOM 0 HA GLU B 43 5.484 13.238 -5.555 1.00 0.67 H new ATOM 0 HB2 GLU B 43 4.563 15.537 -4.092 1.00 0.87 H new ATOM 0 HB3 GLU B 43 5.957 16.021 -5.037 1.00 0.87 H new ATOM 0 HG2 GLU B 43 3.621 14.503 -6.231 1.00 1.09 H new ATOM 0 HG3 GLU B 43 3.668 16.252 -6.147 1.00 1.09 H new ATOM 1913 N GLU B 44 7.857 14.466 -3.624 1.00 0.52 N ATOM 1914 CA GLU B 44 9.296 14.623 -3.483 1.00 0.54 C ATOM 1915 C GLU B 44 9.987 13.268 -3.559 1.00 0.53 C ATOM 1916 O GLU B 44 11.076 13.144 -4.116 1.00 0.57 O ATOM 1917 CB GLU B 44 9.624 15.302 -2.155 1.00 0.62 C ATOM 1918 CG GLU B 44 11.045 15.828 -2.074 1.00 0.91 C ATOM 1919 CD GLU B 44 11.104 17.263 -1.596 1.00 1.74 C ATOM 1920 OE1 GLU B 44 10.444 17.578 -0.584 1.00 2.36 O ATOM 1921 OE2 GLU B 44 11.807 18.073 -2.235 1.00 2.52 O ATOM 0 H GLU B 44 7.322 14.725 -2.795 1.00 0.52 H new ATOM 0 HA GLU B 44 9.658 15.248 -4.299 1.00 0.54 H new ATOM 0 HB2 GLU B 44 8.931 16.128 -1.998 1.00 0.62 H new ATOM 0 HB3 GLU B 44 9.462 14.592 -1.344 1.00 0.62 H new ATOM 0 HG2 GLU B 44 11.624 15.199 -1.398 1.00 0.91 H new ATOM 0 HG3 GLU B 44 11.513 15.756 -3.056 1.00 0.91 H new ATOM 1928 N LYS B 45 9.337 12.253 -2.998 1.00 0.52 N ATOM 1929 CA LYS B 45 9.878 10.902 -3.007 1.00 0.56 C ATOM 1930 C LYS B 45 9.978 10.381 -4.435 1.00 0.55 C ATOM 1931 O LYS B 45 10.874 9.605 -4.762 1.00 0.59 O ATOM 1932 CB LYS B 45 8.998 9.972 -2.171 1.00 0.61 C ATOM 1933 CG LYS B 45 9.785 8.945 -1.378 1.00 0.75 C ATOM 1934 CD LYS B 45 9.043 8.523 -0.122 1.00 0.96 C ATOM 1935 CE LYS B 45 9.809 8.911 1.131 1.00 1.30 C ATOM 1936 NZ LYS B 45 9.067 9.914 1.945 1.00 1.74 N ATOM 0 H LYS B 45 8.434 12.343 -2.532 1.00 0.52 H new ATOM 0 HA LYS B 45 10.877 10.927 -2.571 1.00 0.56 H new ATOM 0 HB2 LYS B 45 8.401 10.571 -1.483 1.00 0.61 H new ATOM 0 HB3 LYS B 45 8.301 9.454 -2.830 1.00 0.61 H new ATOM 0 HG2 LYS B 45 9.975 8.071 -2.001 1.00 0.75 H new ATOM 0 HG3 LYS B 45 10.756 9.360 -1.106 1.00 0.75 H new ATOM 0 HD2 LYS B 45 8.057 8.988 -0.106 1.00 0.96 H new ATOM 0 HD3 LYS B 45 8.886 7.444 -0.135 1.00 0.96 H new ATOM 0 HE2 LYS B 45 9.996 8.022 1.733 1.00 1.30 H new ATOM 0 HE3 LYS B 45 10.781 9.317 0.852 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 9.664 10.229 2.736 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 8.821 10.731 1.350 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 8.197 9.483 2.318 1.00 1.74 H new ATOM 1950 N HIS B 46 9.050 10.820 -5.281 1.00 0.52 N ATOM 1951 CA HIS B 46 9.030 10.407 -6.678 1.00 0.55 C ATOM 1952 C HIS B 46 10.148 11.092 -7.455 1.00 0.56 C ATOM 1953 O HIS B 46 10.867 10.451 -8.221 1.00 0.58 O ATOM 1954 CB HIS B 46 7.678 10.733 -7.313 1.00 0.59 C ATOM 1955 CG HIS B 46 7.354 9.872 -8.494 1.00 0.70 C ATOM 1956 ND1 HIS B 46 7.106 10.382 -9.751 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.242 8.528 -8.605 1.00 0.81 C ATOM 1958 CE1 HIS B 46 6.854 9.388 -10.584 1.00 1.07 C ATOM 1959 NE2 HIS B 46 6.932 8.253 -9.914 1.00 0.99 N ATOM 0 H HIS B 46 8.302 11.463 -5.021 1.00 0.52 H new ATOM 0 HA HIS B 46 9.186 9.329 -6.716 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.895 10.618 -6.563 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.672 11.778 -7.622 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.372 7.806 -7.812 1.00 0.81 H new ATOM 0 HE1 HIS B 46 6.623 9.487 -11.634 1.00 1.07 H new ATOM 0 HE2 HIS B 46 6.786 7.323 -10.305 1.00 0.99 H new ATOM 1968 N THR B 47 10.293 12.397 -7.244 1.00 0.59 N ATOM 1969 CA THR B 47 11.331 13.167 -7.918 1.00 0.64 C ATOM 1970 C THR B 47 12.712 12.655 -7.531 1.00 0.62 C ATOM 1971 O THR B 47 13.592 12.506 -8.378 1.00 0.65 O ATOM 1972 CB THR B 47 11.237 14.665 -7.576 1.00 0.71 C ATOM 1973 OG1 THR B 47 9.866 15.052 -7.435 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.897 15.506 -8.657 1.00 0.79 C ATOM 0 H THR B 47 9.706 12.942 -6.613 1.00 0.59 H new ATOM 0 HA THR B 47 11.178 13.043 -8.990 1.00 0.64 H new ATOM 0 HB THR B 47 11.759 14.834 -6.634 1.00 0.71 H new ATOM 0 HG1 THR B 47 9.816 16.006 -7.216 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.819 16.561 -8.395 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.948 15.230 -8.742 1.00 0.79 H new ATOM 0 HG23 THR B 47 11.398 15.331 -9.610 1.00 0.79 H new ATOM 1982 N ARG B 48 12.888 12.377 -6.244 1.00 0.59 N ATOM 1983 CA ARG B 48 14.154 11.869 -5.736 1.00 0.61 C ATOM 1984 C ARG B 48 14.390 10.450 -6.230 1.00 0.54 C ATOM 1985 O ARG B 48 15.530 10.034 -6.440 1.00 0.56 O ATOM 1986 CB ARG B 48 14.163 11.900 -4.208 1.00 0.66 C ATOM 1987 CG ARG B 48 15.307 12.711 -3.626 1.00 0.93 C ATOM 1988 CD ARG B 48 15.220 12.786 -2.113 1.00 1.46 C ATOM 1989 NE ARG B 48 15.097 14.160 -1.639 1.00 1.67 N ATOM 1990 CZ ARG B 48 16.106 14.854 -1.123 1.00 1.70 C ATOM 1991 NH1 ARG B 48 17.309 14.306 -1.023 1.00 1.82 N ATOM 1992 NH2 ARG B 48 15.913 16.097 -0.705 1.00 2.26 N ATOM 0 H ARG B 48 12.167 12.496 -5.533 1.00 0.59 H new ATOM 0 HA ARG B 48 14.957 12.507 -6.105 1.00 0.61 H new ATOM 0 HB2 ARG B 48 13.218 12.314 -3.855 1.00 0.66 H new ATOM 0 HB3 ARG B 48 14.224 10.879 -3.832 1.00 0.66 H new ATOM 0 HG2 ARG B 48 16.257 12.262 -3.915 1.00 0.93 H new ATOM 0 HG3 ARG B 48 15.290 13.718 -4.043 1.00 0.93 H new ATOM 0 HD2 ARG B 48 14.363 12.206 -1.770 1.00 1.46 H new ATOM 0 HD3 ARG B 48 16.108 12.330 -1.676 1.00 1.46 H new ATOM 0 HE ARG B 48 14.186 14.613 -1.707 1.00 1.67 H new ATOM 0 HH11 ARG B 48 17.462 13.349 -1.343 1.00 1.82 H new ATOM 0 HH12 ARG B 48 18.082 14.841 -0.627 1.00 1.82 H new ATOM 0 HH21 ARG B 48 14.989 16.522 -0.779 1.00 2.26 H new ATOM 0 HH22 ARG B 48 16.689 16.628 -0.309 1.00 2.26 H new ATOM 2006 N PHE B 49 13.300 9.713 -6.425 1.00 0.49 N ATOM 2007 CA PHE B 49 13.382 8.341 -6.909 1.00 0.45 C ATOM 2008 C PHE B 49 13.905 8.321 -8.338 1.00 0.47 C ATOM 2009 O PHE B 49 14.711 7.466 -8.704 1.00 0.48 O ATOM 2010 CB PHE B 49 12.006 7.668 -6.851 1.00 0.48 C ATOM 2011 CG PHE B 49 12.005 6.280 -6.258 1.00 0.38 C ATOM 2012 CD1 PHE B 49 13.181 5.671 -5.837 1.00 0.83 C ATOM 2013 CD2 PHE B 49 10.815 5.583 -6.125 1.00 1.06 C ATOM 2014 CE1 PHE B 49 13.164 4.400 -5.295 1.00 0.87 C ATOM 2015 CE2 PHE B 49 10.794 4.312 -5.585 1.00 1.27 C ATOM 2016 CZ PHE B 49 11.971 3.720 -5.169 1.00 0.85 C ATOM 0 H PHE B 49 12.350 10.044 -6.255 1.00 0.49 H new ATOM 0 HA PHE B 49 14.070 7.790 -6.268 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.334 8.297 -6.268 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.599 7.617 -7.861 1.00 0.48 H new ATOM 0 HD1 PHE B 49 14.119 6.197 -5.935 1.00 0.83 H new ATOM 0 HD2 PHE B 49 9.891 6.040 -6.448 1.00 1.06 H new ATOM 0 HE1 PHE B 49 14.085 3.939 -4.970 1.00 0.87 H new ATOM 0 HE2 PHE B 49 9.858 3.781 -5.488 1.00 1.27 H new ATOM 0 HZ PHE B 49 11.957 2.726 -4.746 1.00 0.85 H new ATOM 2026 N LYS B 50 13.441 9.274 -9.139 1.00 0.50 N ATOM 2027 CA LYS B 50 13.860 9.379 -10.530 1.00 0.54 C ATOM 2028 C LYS B 50 15.355 9.658 -10.620 1.00 0.53 C ATOM 2029 O LYS B 50 16.060 9.063 -11.435 1.00 0.52 O ATOM 2030 CB LYS B 50 13.079 10.488 -11.236 1.00 0.63 C ATOM 2031 CG LYS B 50 11.674 10.076 -11.640 1.00 0.91 C ATOM 2032 CD LYS B 50 11.691 9.162 -12.853 1.00 1.54 C ATOM 2033 CE LYS B 50 10.993 9.804 -14.040 1.00 2.02 C ATOM 2034 NZ LYS B 50 11.960 10.228 -15.089 1.00 2.55 N ATOM 0 H LYS B 50 12.772 9.987 -8.847 1.00 0.50 H new ATOM 0 HA LYS B 50 13.652 8.429 -11.023 1.00 0.54 H new ATOM 0 HB2 LYS B 50 13.020 11.355 -10.578 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.628 10.799 -12.125 1.00 0.63 H new ATOM 0 HG2 LYS B 50 11.189 9.568 -10.807 1.00 0.91 H new ATOM 0 HG3 LYS B 50 11.082 10.964 -11.860 1.00 0.91 H new ATOM 0 HD2 LYS B 50 12.722 8.926 -13.119 1.00 1.54 H new ATOM 0 HD3 LYS B 50 11.202 8.219 -12.607 1.00 1.54 H new ATOM 0 HE2 LYS B 50 10.280 9.099 -14.467 1.00 2.02 H new ATOM 0 HE3 LYS B 50 10.422 10.669 -13.701 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 11.445 10.661 -15.882 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 12.625 10.920 -14.689 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 12.487 9.399 -15.431 1.00 2.55 H new ATOM 2048 N ALA B 51 15.830 10.563 -9.772 1.00 0.56 N ATOM 2049 CA ALA B 51 17.241 10.922 -9.746 1.00 0.61 C ATOM 2050 C ALA B 51 18.087 9.752 -9.262 1.00 0.57 C ATOM 2051 O ALA B 51 19.192 9.526 -9.755 1.00 0.58 O ATOM 2052 CB ALA B 51 17.460 12.140 -8.863 1.00 0.71 C ATOM 0 H ALA B 51 15.256 11.062 -9.092 1.00 0.56 H new ATOM 0 HA ALA B 51 17.552 11.168 -10.761 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.519 12.397 -8.853 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.887 12.981 -9.254 1.00 0.71 H new ATOM 0 HB3 ALA B 51 17.131 11.917 -7.848 1.00 0.71 H new ATOM 2058 N ALA B 52 17.558 9.005 -8.297 1.00 0.55 N ATOM 2059 CA ALA B 52 18.261 7.853 -7.750 1.00 0.59 C ATOM 2060 C ALA B 52 18.267 6.703 -8.750 1.00 0.51 C ATOM 2061 O ALA B 52 19.199 5.900 -8.785 1.00 0.54 O ATOM 2062 CB ALA B 52 17.621 7.414 -6.441 1.00 0.67 C ATOM 0 H ALA B 52 16.644 9.179 -7.879 1.00 0.55 H new ATOM 0 HA ALA B 52 19.293 8.142 -7.553 1.00 0.59 H new ATOM 0 HB1 ALA B 52 18.158 6.552 -6.045 1.00 0.67 H new ATOM 0 HB2 ALA B 52 17.666 8.232 -5.722 1.00 0.67 H new ATOM 0 HB3 ALA B 52 16.580 7.143 -6.618 1.00 0.67 H new ATOM 2068 N CYS B 53 17.220 6.640 -9.567 1.00 0.48 N ATOM 2069 CA CYS B 53 17.096 5.598 -10.580 1.00 0.53 C ATOM 2070 C CYS B 53 18.137 5.792 -11.672 1.00 0.50 C ATOM 2071 O CYS B 53 18.805 4.845 -12.088 1.00 0.56 O ATOM 2072 CB CYS B 53 15.695 5.616 -11.193 1.00 0.68 C ATOM 2073 SG CYS B 53 14.427 4.838 -10.166 1.00 1.15 S ATOM 0 H CYS B 53 16.443 7.301 -9.547 1.00 0.48 H new ATOM 0 HA CYS B 53 17.262 4.633 -10.101 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.408 6.650 -11.385 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.726 5.110 -12.158 1.00 0.68 H new ATOM 0 HG CYS B 53 14.066 5.659 -9.225 1.00 1.15 H new ATOM 2079 N ALA B 54 18.270 7.032 -12.134 1.00 0.51 N ATOM 2080 CA ALA B 54 19.230 7.361 -13.179 1.00 0.59 C ATOM 2081 C ALA B 54 20.655 7.314 -12.643 1.00 0.59 C ATOM 2082 O ALA B 54 21.589 6.964 -13.366 1.00 0.70 O ATOM 2083 CB ALA B 54 18.926 8.735 -13.759 1.00 0.69 C ATOM 0 H ALA B 54 17.723 7.826 -11.800 1.00 0.51 H new ATOM 0 HA ALA B 54 19.142 6.617 -13.971 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.651 8.969 -14.539 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.922 8.737 -14.184 1.00 0.69 H new ATOM 0 HB3 ALA B 54 18.987 9.485 -12.970 1.00 0.69 H new ATOM 2089 N ARG B 55 20.814 7.667 -11.372 1.00 0.55 N ATOM 2090 CA ARG B 55 22.125 7.663 -10.735 1.00 0.64 C ATOM 2091 C ARG B 55 22.649 6.240 -10.582 1.00 0.59 C ATOM 2092 O ARG B 55 23.833 5.977 -10.789 1.00 0.76 O ATOM 2093 CB ARG B 55 22.052 8.341 -9.368 1.00 0.72 C ATOM 2094 CG ARG B 55 23.232 9.250 -9.081 1.00 1.03 C ATOM 2095 CD ARG B 55 23.619 9.211 -7.613 1.00 1.37 C ATOM 2096 NE ARG B 55 24.116 10.500 -7.147 1.00 1.97 N ATOM 2097 CZ ARG B 55 23.348 11.572 -6.990 1.00 2.64 C ATOM 2098 NH1 ARG B 55 22.051 11.510 -7.257 1.00 2.89 N ATOM 2099 NH2 ARG B 55 23.877 12.710 -6.565 1.00 3.60 N ATOM 0 H ARG B 55 20.050 7.960 -10.762 1.00 0.55 H new ATOM 0 HA ARG B 55 22.813 8.219 -11.372 1.00 0.64 H new ATOM 0 HB2 ARG B 55 21.132 8.923 -9.308 1.00 0.72 H new ATOM 0 HB3 ARG B 55 21.996 7.576 -8.594 1.00 0.72 H new ATOM 0 HG2 ARG B 55 24.083 8.947 -9.691 1.00 1.03 H new ATOM 0 HG3 ARG B 55 22.983 10.272 -9.366 1.00 1.03 H new ATOM 0 HD2 ARG B 55 22.754 8.919 -7.017 1.00 1.37 H new ATOM 0 HD3 ARG B 55 24.384 8.450 -7.459 1.00 1.37 H new ATOM 0 HE ARG B 55 25.109 10.583 -6.929 1.00 1.97 H new ATOM 0 HH11 ARG B 55 21.639 10.636 -7.585 1.00 2.89 H new ATOM 0 HH12 ARG B 55 21.465 12.336 -7.135 1.00 2.89 H new ATOM 0 HH21 ARG B 55 24.874 12.763 -6.358 1.00 3.60 H new ATOM 0 HH22 ARG B 55 23.287 13.533 -6.445 1.00 3.60 H new ATOM 2113 N LYS B 56 21.755 5.325 -10.220 1.00 0.47 N ATOM 2114 CA LYS B 56 22.123 3.927 -10.040 1.00 0.52 C ATOM 2115 C LYS B 56 21.967 3.158 -11.347 1.00 0.51 C ATOM 2116 O LYS B 56 22.429 2.023 -11.470 1.00 0.60 O ATOM 2117 CB LYS B 56 21.259 3.287 -8.953 1.00 0.61 C ATOM 2118 CG LYS B 56 22.065 2.586 -7.873 1.00 0.74 C ATOM 2119 CD LYS B 56 21.831 3.212 -6.509 1.00 0.91 C ATOM 2120 CE LYS B 56 22.494 2.403 -5.406 1.00 1.62 C ATOM 2121 NZ LYS B 56 23.904 2.823 -5.181 1.00 1.85 N ATOM 0 H LYS B 56 20.771 5.528 -10.046 1.00 0.47 H new ATOM 0 HA LYS B 56 23.168 3.885 -9.733 1.00 0.52 H new ATOM 0 HB2 LYS B 56 20.640 4.057 -8.492 1.00 0.61 H new ATOM 0 HB3 LYS B 56 20.582 2.568 -9.414 1.00 0.61 H new ATOM 0 HG2 LYS B 56 21.793 1.531 -7.842 1.00 0.74 H new ATOM 0 HG3 LYS B 56 23.126 2.635 -8.120 1.00 0.74 H new ATOM 0 HD2 LYS B 56 22.223 4.229 -6.502 1.00 0.91 H new ATOM 0 HD3 LYS B 56 20.760 3.281 -6.318 1.00 0.91 H new ATOM 0 HE2 LYS B 56 21.929 2.518 -4.481 1.00 1.62 H new ATOM 0 HE3 LYS B 56 22.467 1.345 -5.666 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 24.321 2.248 -4.421 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 24.450 2.689 -6.056 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 23.928 3.826 -4.908 1.00 1.85 H new ATOM 2135 N GLY B 57 21.310 3.785 -12.318 1.00 0.46 N ATOM 2136 CA GLY B 57 21.100 3.147 -13.604 1.00 0.51 C ATOM 2137 C GLY B 57 20.293 1.871 -13.488 1.00 0.59 C ATOM 2138 O GLY B 57 20.762 0.796 -13.867 1.00 0.75 O ATOM 0 H GLY B 57 20.919 4.724 -12.237 1.00 0.46 H new ATOM 0 HA2 GLY B 57 20.587 3.840 -14.271 1.00 0.51 H new ATOM 0 HA3 GLY B 57 22.065 2.924 -14.058 1.00 0.51 H new ATOM 2142 N THR B 58 19.079 1.986 -12.962 1.00 0.63 N ATOM 2143 CA THR B 58 18.208 0.832 -12.794 1.00 0.77 C ATOM 2144 C THR B 58 16.738 1.226 -12.938 1.00 0.62 C ATOM 2145 O THR B 58 16.401 2.411 -12.937 1.00 0.57 O ATOM 2146 CB THR B 58 18.432 0.159 -11.426 1.00 1.02 C ATOM 2147 OG1 THR B 58 17.792 -1.119 -11.398 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.898 1.024 -10.294 1.00 0.92 C ATOM 0 H THR B 58 18.677 2.868 -12.645 1.00 0.63 H new ATOM 0 HA THR B 58 18.461 0.120 -13.580 1.00 0.77 H new ATOM 0 HB THR B 58 19.505 0.032 -11.285 1.00 1.02 H new ATOM 0 HG1 THR B 58 18.116 -1.630 -10.627 1.00 1.92 H new ATOM 0 HG21 THR B 58 18.070 0.523 -9.341 1.00 0.92 H new ATOM 0 HG22 THR B 58 18.412 1.985 -10.297 1.00 0.92 H new ATOM 0 HG23 THR B 58 16.829 1.184 -10.432 1.00 0.92 H new ATOM 2156 N SER B 59 15.872 0.226 -13.067 1.00 0.66 N ATOM 2157 CA SER B 59 14.438 0.465 -13.222 1.00 0.66 C ATOM 2158 C SER B 59 13.824 1.014 -11.937 1.00 0.62 C ATOM 2159 O SER B 59 14.393 0.876 -10.854 1.00 0.66 O ATOM 2160 CB SER B 59 13.726 -0.826 -13.627 1.00 0.78 C ATOM 2161 OG SER B 59 14.659 -1.834 -13.976 1.00 0.87 O ATOM 0 H SER B 59 16.137 -0.759 -13.067 1.00 0.66 H new ATOM 0 HA SER B 59 14.308 1.210 -14.007 1.00 0.66 H new ATOM 0 HB2 SER B 59 13.101 -1.174 -12.805 1.00 0.78 H new ATOM 0 HB3 SER B 59 13.064 -0.631 -14.471 1.00 0.78 H new ATOM 0 HG SER B 59 14.179 -2.650 -14.230 1.00 0.87 H new ATOM 2167 N ILE B 60 12.654 1.635 -12.071 1.00 0.66 N ATOM 2168 CA ILE B 60 11.950 2.207 -10.929 1.00 0.73 C ATOM 2169 C ILE B 60 11.457 1.117 -9.982 1.00 0.76 C ATOM 2170 O ILE B 60 11.250 1.358 -8.794 1.00 0.85 O ATOM 2171 CB ILE B 60 10.752 3.066 -11.382 1.00 0.85 C ATOM 2172 CG1 ILE B 60 10.127 3.788 -10.187 1.00 0.97 C ATOM 2173 CG2 ILE B 60 9.714 2.207 -12.092 1.00 1.00 C ATOM 2174 CD1 ILE B 60 10.653 5.192 -9.987 1.00 0.91 C ATOM 0 H ILE B 60 12.173 1.754 -12.963 1.00 0.66 H new ATOM 0 HA ILE B 60 12.663 2.842 -10.402 1.00 0.73 H new ATOM 0 HB ILE B 60 11.114 3.816 -12.085 1.00 0.85 H new ATOM 0 HG12 ILE B 60 9.046 3.829 -10.322 1.00 0.97 H new ATOM 0 HG13 ILE B 60 10.313 3.207 -9.284 1.00 0.97 H new ATOM 0 HG21 ILE B 60 8.877 2.831 -12.404 1.00 1.00 H new ATOM 0 HG22 ILE B 60 10.165 1.741 -12.968 1.00 1.00 H new ATOM 0 HG23 ILE B 60 9.356 1.433 -11.413 1.00 1.00 H new ATOM 0 HD11 ILE B 60 10.166 5.643 -9.123 1.00 0.91 H new ATOM 0 HD12 ILE B 60 11.730 5.157 -9.820 1.00 0.91 H new ATOM 0 HD13 ILE B 60 10.443 5.789 -10.874 1.00 0.91 H new ATOM 2186 N THR B 61 11.270 -0.084 -10.517 1.00 0.79 N ATOM 2187 CA THR B 61 10.802 -1.209 -9.718 1.00 0.85 C ATOM 2188 C THR B 61 11.963 -1.900 -9.015 1.00 0.77 C ATOM 2189 O THR B 61 11.786 -2.527 -7.970 1.00 0.75 O ATOM 2190 CB THR B 61 10.056 -2.241 -10.582 1.00 1.01 C ATOM 2191 OG1 THR B 61 9.627 -1.636 -11.806 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.854 -2.802 -9.838 1.00 1.14 C ATOM 0 H THR B 61 11.435 -0.303 -11.499 1.00 0.79 H new ATOM 0 HA THR B 61 10.115 -0.805 -8.974 1.00 0.85 H new ATOM 0 HB THR B 61 10.740 -3.060 -10.803 1.00 1.01 H new ATOM 0 HG1 THR B 61 9.155 -2.300 -12.351 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.343 -3.529 -10.469 1.00 1.14 H new ATOM 0 HG22 THR B 61 9.188 -3.288 -8.921 1.00 1.14 H new ATOM 0 HG23 THR B 61 8.169 -1.991 -9.590 1.00 1.14 H new ATOM 2200 N ASP B 62 13.153 -1.782 -9.596 1.00 0.74 N ATOM 2201 CA ASP B 62 14.344 -2.397 -9.027 1.00 0.73 C ATOM 2202 C ASP B 62 14.820 -1.632 -7.798 1.00 0.62 C ATOM 2203 O ASP B 62 15.171 -2.234 -6.782 1.00 0.61 O ATOM 2204 CB ASP B 62 15.461 -2.462 -10.069 1.00 0.82 C ATOM 2205 CG ASP B 62 16.378 -3.650 -9.861 1.00 1.16 C ATOM 2206 OD1 ASP B 62 15.884 -4.714 -9.433 1.00 1.68 O ATOM 2207 OD2 ASP B 62 17.590 -3.517 -10.125 1.00 1.81 O ATOM 0 H ASP B 62 13.317 -1.266 -10.460 1.00 0.74 H new ATOM 0 HA ASP B 62 14.085 -3.411 -8.721 1.00 0.73 H new ATOM 0 HB2 ASP B 62 15.022 -2.516 -11.065 1.00 0.82 H new ATOM 0 HB3 ASP B 62 16.046 -1.543 -10.028 1.00 0.82 H new ATOM 2212 N VAL B 63 14.827 -0.302 -7.892 1.00 0.60 N ATOM 2213 CA VAL B 63 15.257 0.536 -6.777 1.00 0.57 C ATOM 2214 C VAL B 63 14.456 0.214 -5.523 1.00 0.56 C ATOM 2215 O VAL B 63 15.012 0.126 -4.429 1.00 0.59 O ATOM 2216 CB VAL B 63 15.116 2.040 -7.087 1.00 0.62 C ATOM 2217 CG1 VAL B 63 16.408 2.595 -7.663 1.00 0.81 C ATOM 2218 CG2 VAL B 63 13.953 2.292 -8.030 1.00 1.01 C ATOM 0 H VAL B 63 14.541 0.214 -8.724 1.00 0.60 H new ATOM 0 HA VAL B 63 16.312 0.317 -6.614 1.00 0.57 H new ATOM 0 HB VAL B 63 14.910 2.560 -6.151 1.00 0.62 H new ATOM 0 HG11 VAL B 63 16.285 3.657 -7.874 1.00 0.81 H new ATOM 0 HG12 VAL B 63 17.215 2.459 -6.943 1.00 0.81 H new ATOM 0 HG13 VAL B 63 16.651 2.068 -8.585 1.00 0.81 H new ATOM 0 HG21 VAL B 63 13.874 3.360 -8.233 1.00 1.01 H new ATOM 0 HG22 VAL B 63 14.119 1.756 -8.964 1.00 1.01 H new ATOM 0 HG23 VAL B 63 13.029 1.941 -7.570 1.00 1.01 H new ATOM 2228 N VAL B 64 13.150 0.027 -5.691 1.00 0.55 N ATOM 2229 CA VAL B 64 12.285 -0.301 -4.566 1.00 0.56 C ATOM 2230 C VAL B 64 12.688 -1.641 -3.968 1.00 0.55 C ATOM 2231 O VAL B 64 12.672 -1.821 -2.753 1.00 0.57 O ATOM 2232 CB VAL B 64 10.799 -0.353 -4.969 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.911 -0.266 -3.738 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.468 0.760 -5.951 1.00 0.67 C ATOM 0 H VAL B 64 12.672 0.097 -6.589 1.00 0.55 H new ATOM 0 HA VAL B 64 12.407 0.492 -3.828 1.00 0.56 H new ATOM 0 HB VAL B 64 10.610 -1.307 -5.462 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.865 -0.304 -4.041 1.00 0.73 H new ATOM 0 HG12 VAL B 64 10.127 -1.103 -3.074 1.00 0.73 H new ATOM 0 HG13 VAL B 64 10.104 0.671 -3.216 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.414 0.704 -6.222 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.673 1.726 -5.489 1.00 0.67 H new ATOM 0 HG23 VAL B 64 11.079 0.649 -6.847 1.00 0.67 H new ATOM 2244 N ASN B 65 13.066 -2.574 -4.834 1.00 0.55 N ATOM 2245 CA ASN B 65 13.492 -3.894 -4.393 1.00 0.56 C ATOM 2246 C ASN B 65 14.828 -3.800 -3.662 1.00 0.56 C ATOM 2247 O ASN B 65 15.207 -4.703 -2.916 1.00 0.56 O ATOM 2248 CB ASN B 65 13.612 -4.840 -5.588 1.00 0.58 C ATOM 2249 CG ASN B 65 13.924 -6.265 -5.173 1.00 0.77 C ATOM 2250 OD1 ASN B 65 13.463 -6.735 -4.133 1.00 0.86 O ATOM 2251 ND2 ASN B 65 14.708 -6.959 -5.987 1.00 1.46 N ATOM 0 H ASN B 65 13.086 -2.440 -5.845 1.00 0.55 H new ATOM 0 HA ASN B 65 12.743 -4.290 -3.707 1.00 0.56 H new ATOM 0 HB2 ASN B 65 12.680 -4.826 -6.153 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.395 -4.480 -6.255 1.00 0.58 H new ATOM 0 HD21 ASN B 65 14.952 -7.923 -5.761 1.00 1.46 H new ATOM 0 HD22 ASN B 65 15.067 -6.528 -6.839 1.00 1.46 H new ATOM 2258 N GLN B 66 15.535 -2.694 -3.884 1.00 0.58 N ATOM 2259 CA GLN B 66 16.828 -2.472 -3.250 1.00 0.60 C ATOM 2260 C GLN B 66 16.655 -1.925 -1.838 1.00 0.58 C ATOM 2261 O GLN B 66 17.288 -2.409 -0.901 1.00 0.61 O ATOM 2262 CB GLN B 66 17.679 -1.519 -4.089 1.00 0.65 C ATOM 2263 CG GLN B 66 18.603 -2.238 -5.057 1.00 0.84 C ATOM 2264 CD GLN B 66 19.899 -1.493 -5.293 1.00 1.25 C ATOM 2265 OE1 GLN B 66 20.523 -0.996 -4.357 1.00 2.01 O ATOM 2266 NE2 GLN B 66 20.312 -1.415 -6.551 1.00 1.70 N ATOM 0 H GLN B 66 15.232 -1.939 -4.499 1.00 0.58 H new ATOM 0 HA GLN B 66 17.341 -3.431 -3.183 1.00 0.60 H new ATOM 0 HB2 GLN B 66 17.022 -0.854 -4.650 1.00 0.65 H new ATOM 0 HB3 GLN B 66 18.275 -0.893 -3.424 1.00 0.65 H new ATOM 0 HG2 GLN B 66 18.826 -3.232 -4.669 1.00 0.84 H new ATOM 0 HG3 GLN B 66 18.089 -2.375 -6.009 1.00 0.84 H new ATOM 0 HE21 GLN B 66 19.762 -1.843 -7.296 1.00 1.70 H new ATOM 0 HE22 GLN B 66 21.180 -0.928 -6.774 1.00 1.70 H new ATOM 2275 N LEU B 67 15.789 -0.923 -1.684 1.00 0.55 N ATOM 2276 CA LEU B 67 15.542 -0.344 -0.368 1.00 0.55 C ATOM 2277 C LEU B 67 14.998 -1.414 0.565 1.00 0.50 C ATOM 2278 O LEU B 67 15.308 -1.433 1.756 1.00 0.50 O ATOM 2279 CB LEU B 67 14.567 0.837 -0.442 1.00 0.57 C ATOM 2280 CG LEU B 67 13.696 0.901 -1.694 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.232 0.731 -1.329 1.00 0.97 C ATOM 2282 CD2 LEU B 67 13.916 2.214 -2.429 1.00 0.67 C ATOM 0 H LEU B 67 15.255 -0.502 -2.444 1.00 0.55 H new ATOM 0 HA LEU B 67 16.488 0.035 0.018 1.00 0.55 H new ATOM 0 HB2 LEU B 67 13.914 0.800 0.430 1.00 0.57 H new ATOM 0 HB3 LEU B 67 15.140 1.762 -0.373 1.00 0.57 H new ATOM 0 HG LEU B 67 13.982 0.085 -2.358 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.624 0.779 -2.232 1.00 0.97 H new ATOM 0 HD12 LEU B 67 12.087 -0.235 -0.845 1.00 0.97 H new ATOM 0 HD13 LEU B 67 11.932 1.527 -0.647 1.00 0.97 H new ATOM 0 HD21 LEU B 67 13.287 2.243 -3.319 1.00 0.67 H new ATOM 0 HD22 LEU B 67 13.656 3.046 -1.774 1.00 0.67 H new ATOM 0 HD23 LEU B 67 14.963 2.296 -2.722 1.00 0.67 H new ATOM 2294 N VAL B 68 14.205 -2.325 0.004 1.00 0.48 N ATOM 2295 CA VAL B 68 13.642 -3.423 0.774 1.00 0.45 C ATOM 2296 C VAL B 68 14.745 -4.402 1.143 1.00 0.42 C ATOM 2297 O VAL B 68 14.689 -5.061 2.178 1.00 0.40 O ATOM 2298 CB VAL B 68 12.545 -4.173 -0.011 1.00 0.46 C ATOM 2299 CG1 VAL B 68 11.949 -5.293 0.829 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.461 -3.212 -0.468 1.00 1.07 C ATOM 0 H VAL B 68 13.940 -2.321 -0.981 1.00 0.48 H new ATOM 0 HA VAL B 68 13.189 -3.000 1.671 1.00 0.45 H new ATOM 0 HB VAL B 68 13.004 -4.618 -0.894 1.00 0.46 H new ATOM 0 HG11 VAL B 68 11.178 -5.807 0.255 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.732 -6.001 1.100 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.509 -4.874 1.734 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.697 -3.761 -1.019 1.00 1.07 H new ATOM 0 HG22 VAL B 68 11.008 -2.734 0.401 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.898 -2.451 -1.114 1.00 1.07 H new ATOM 2310 N ASP B 69 15.755 -4.479 0.283 1.00 0.47 N ATOM 2311 CA ASP B 69 16.892 -5.362 0.501 1.00 0.49 C ATOM 2312 C ASP B 69 17.812 -4.793 1.575 1.00 0.48 C ATOM 2313 O ASP B 69 18.485 -5.533 2.290 1.00 0.49 O ATOM 2314 CB ASP B 69 17.670 -5.543 -0.803 1.00 0.60 C ATOM 2315 CG ASP B 69 18.105 -6.977 -1.029 1.00 0.84 C ATOM 2316 OD1 ASP B 69 17.442 -7.890 -0.498 1.00 1.09 O ATOM 2317 OD2 ASP B 69 19.111 -7.185 -1.740 1.00 1.46 O ATOM 0 H ASP B 69 15.808 -3.935 -0.578 1.00 0.47 H new ATOM 0 HA ASP B 69 16.520 -6.330 0.836 1.00 0.49 H new ATOM 0 HB2 ASP B 69 17.050 -5.219 -1.639 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.549 -4.899 -0.790 1.00 0.60 H new ATOM 2322 N ASN B 70 17.836 -3.470 1.676 1.00 0.55 N ATOM 2323 CA ASN B 70 18.673 -2.786 2.653 1.00 0.61 C ATOM 2324 C ASN B 70 17.965 -2.672 3.999 1.00 0.56 C ATOM 2325 O ASN B 70 18.575 -2.304 5.001 1.00 0.60 O ATOM 2326 CB ASN B 70 19.042 -1.393 2.142 1.00 0.74 C ATOM 2327 CG ASN B 70 20.442 -0.978 2.543 1.00 1.37 C ATOM 2328 OD1 ASN B 70 20.979 -1.445 3.545 1.00 1.88 O ATOM 2329 ND2 ASN B 70 21.040 -0.090 1.759 1.00 2.19 N ATOM 0 H ASN B 70 17.282 -2.846 1.089 1.00 0.55 H new ATOM 0 HA ASN B 70 19.580 -3.374 2.792 1.00 0.61 H new ATOM 0 HB2 ASN B 70 18.959 -1.375 1.055 1.00 0.74 H new ATOM 0 HB3 ASN B 70 18.327 -0.667 2.529 1.00 0.74 H new ATOM 0 HD21 ASN B 70 21.983 0.231 1.979 1.00 2.19 H new ATOM 0 HD22 ASN B 70 20.557 0.271 0.937 1.00 2.19 H new ATOM 2336 N TRP B 71 16.673 -2.982 4.012 1.00 0.54 N ATOM 2337 CA TRP B 71 15.880 -2.905 5.236 1.00 0.54 C ATOM 2338 C TRP B 71 15.578 -4.298 5.783 1.00 0.47 C ATOM 2339 O TRP B 71 15.523 -4.500 6.995 1.00 0.53 O ATOM 2340 CB TRP B 71 14.571 -2.155 4.963 1.00 0.57 C ATOM 2341 CG TRP B 71 13.656 -2.087 6.149 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.597 -1.092 7.082 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.668 -3.052 6.528 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.634 -1.381 8.019 1.00 0.86 N ATOM 2345 CE2 TRP B 71 12.050 -2.578 7.701 1.00 0.75 C ATOM 2346 CE3 TRP B 71 12.246 -4.271 5.990 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 11.034 -3.281 8.343 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.237 -4.967 6.628 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.641 -4.470 7.793 1.00 0.74 C ATOM 0 H TRP B 71 16.152 -3.289 3.190 1.00 0.54 H new ATOM 0 HA TRP B 71 16.459 -2.364 5.984 1.00 0.54 H new ATOM 0 HB2 TRP B 71 14.805 -1.141 4.637 1.00 0.57 H new ATOM 0 HB3 TRP B 71 14.048 -2.642 4.140 1.00 0.57 H new ATOM 0 HD1 TRP B 71 14.216 -0.207 7.084 1.00 0.81 H new ATOM 0 HE1 TRP B 71 12.393 -0.798 8.821 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.700 -4.662 5.092 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.573 -2.901 9.243 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 10.903 -5.910 6.221 1.00 0.62 H new ATOM 0 HH2 TRP B 71 9.854 -5.037 8.268 1.00 0.74 H new ATOM 2360 N LEU B 72 15.368 -5.246 4.881 1.00 0.42 N ATOM 2361 CA LEU B 72 15.049 -6.620 5.261 1.00 0.44 C ATOM 2362 C LEU B 72 16.259 -7.350 5.837 1.00 0.55 C ATOM 2363 O LEU B 72 16.127 -8.138 6.775 1.00 0.65 O ATOM 2364 CB LEU B 72 14.519 -7.383 4.044 1.00 0.50 C ATOM 2365 CG LEU B 72 13.412 -8.394 4.340 1.00 0.47 C ATOM 2366 CD1 LEU B 72 12.049 -7.803 4.018 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.639 -9.676 3.550 1.00 0.60 C ATOM 0 H LEU B 72 15.413 -5.090 3.874 1.00 0.42 H new ATOM 0 HA LEU B 72 14.286 -6.579 6.038 1.00 0.44 H new ATOM 0 HB2 LEU B 72 14.145 -6.661 3.318 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.351 -7.907 3.573 1.00 0.50 H new ATOM 0 HG LEU B 72 13.439 -8.634 5.403 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.273 -8.537 4.235 1.00 0.58 H new ATOM 0 HD12 LEU B 72 11.886 -6.913 4.625 1.00 0.58 H new ATOM 0 HD13 LEU B 72 12.009 -7.534 2.962 1.00 0.58 H new ATOM 0 HD21 LEU B 72 12.842 -10.386 3.772 1.00 0.60 H new ATOM 0 HD22 LEU B 72 13.638 -9.451 2.483 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.599 -10.110 3.829 1.00 0.60 H new ATOM 2379 N LYS B 73 17.431 -7.106 5.262 1.00 0.63 N ATOM 2380 CA LYS B 73 18.654 -7.768 5.713 1.00 0.83 C ATOM 2381 C LYS B 73 19.410 -6.942 6.751 1.00 0.97 C ATOM 2382 O LYS B 73 20.443 -7.375 7.259 1.00 1.13 O ATOM 2383 CB LYS B 73 19.568 -8.055 4.519 1.00 0.96 C ATOM 2384 CG LYS B 73 18.816 -8.364 3.233 1.00 0.92 C ATOM 2385 CD LYS B 73 19.238 -9.699 2.644 1.00 1.16 C ATOM 2386 CE LYS B 73 20.362 -9.533 1.633 1.00 1.41 C ATOM 2387 NZ LYS B 73 19.899 -8.852 0.393 1.00 1.79 N ATOM 0 H LYS B 73 17.562 -6.458 4.486 1.00 0.63 H new ATOM 0 HA LYS B 73 18.357 -8.704 6.187 1.00 0.83 H new ATOM 0 HB2 LYS B 73 20.215 -7.194 4.353 1.00 0.96 H new ATOM 0 HB3 LYS B 73 20.215 -8.898 4.762 1.00 0.96 H new ATOM 0 HG2 LYS B 73 17.744 -8.376 3.432 1.00 0.92 H new ATOM 0 HG3 LYS B 73 18.997 -7.572 2.506 1.00 0.92 H new ATOM 0 HD2 LYS B 73 19.562 -10.364 3.444 1.00 1.16 H new ATOM 0 HD3 LYS B 73 18.382 -10.172 2.163 1.00 1.16 H new ATOM 0 HE2 LYS B 73 21.172 -8.958 2.082 1.00 1.41 H new ATOM 0 HE3 LYS B 73 20.769 -10.512 1.379 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 20.199 -9.401 -0.438 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 18.862 -8.780 0.403 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 20.312 -7.899 0.346 1.00 1.79 H new ATOM 2401 N GLU B 74 18.902 -5.753 7.063 1.00 0.99 N ATOM 2402 CA GLU B 74 19.555 -4.886 8.040 1.00 1.22 C ATOM 2403 C GLU B 74 18.728 -4.752 9.313 1.00 1.27 C ATOM 2404 O GLU B 74 19.207 -5.042 10.410 1.00 1.50 O ATOM 2405 CB GLU B 74 19.809 -3.504 7.439 1.00 1.37 C ATOM 2406 CG GLU B 74 21.070 -3.432 6.597 1.00 1.81 C ATOM 2407 CD GLU B 74 22.303 -3.133 7.425 1.00 2.23 C ATOM 2408 OE1 GLU B 74 22.710 -4.006 8.219 1.00 2.78 O ATOM 2409 OE2 GLU B 74 22.859 -2.025 7.282 1.00 2.51 O ATOM 0 H GLU B 74 18.048 -5.370 6.658 1.00 0.99 H new ATOM 0 HA GLU B 74 20.507 -5.347 8.302 1.00 1.22 H new ATOM 0 HB2 GLU B 74 18.955 -3.221 6.824 1.00 1.37 H new ATOM 0 HB3 GLU B 74 19.878 -2.773 8.245 1.00 1.37 H new ATOM 0 HG2 GLU B 74 21.208 -4.378 6.074 1.00 1.81 H new ATOM 0 HG3 GLU B 74 20.951 -2.661 5.836 1.00 1.81 H new ATOM 2416 N ASN B 75 17.487 -4.301 9.164 1.00 1.11 N ATOM 2417 CA ASN B 75 16.597 -4.117 10.306 1.00 1.21 C ATOM 2418 C ASN B 75 16.326 -5.441 11.018 1.00 1.14 C ATOM 2419 O ASN B 75 16.021 -5.462 12.211 1.00 1.29 O ATOM 2420 CB ASN B 75 15.283 -3.474 9.850 1.00 1.28 C ATOM 2421 CG ASN B 75 14.084 -4.391 10.018 1.00 1.61 C ATOM 2422 OD1 ASN B 75 13.256 -4.189 10.904 1.00 1.88 O ATOM 2423 ND2 ASN B 75 13.990 -5.405 9.167 1.00 1.97 N ATOM 0 H ASN B 75 17.074 -4.056 8.264 1.00 1.11 H new ATOM 0 HA ASN B 75 17.089 -3.453 11.017 1.00 1.21 H new ATOM 0 HB2 ASN B 75 15.116 -2.559 10.418 1.00 1.28 H new ATOM 0 HB3 ASN B 75 15.370 -3.187 8.802 1.00 1.28 H new ATOM 0 HD21 ASN B 75 13.207 -6.055 9.233 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.701 -5.534 8.447 1.00 1.97 H new ATOM 2430 N GLU B 76 16.431 -6.542 10.280 1.00 1.01 N ATOM 2431 CA GLU B 76 16.191 -7.865 10.846 1.00 1.08 C ATOM 2432 C GLU B 76 17.493 -8.514 11.301 1.00 1.38 C ATOM 2433 O GLU B 76 18.554 -7.870 11.163 1.00 1.93 O ATOM 2434 CB GLU B 76 15.491 -8.760 9.823 1.00 1.36 C ATOM 2435 CG GLU B 76 14.048 -9.069 10.179 1.00 1.88 C ATOM 2436 CD GLU B 76 13.930 -10.062 11.318 1.00 2.20 C ATOM 2437 OE1 GLU B 76 14.279 -11.243 11.115 1.00 2.52 O ATOM 2438 OE2 GLU B 76 13.490 -9.657 12.414 1.00 2.67 O ATOM 2439 OXT GLU B 76 17.441 -9.659 11.793 1.00 1.90 O ATOM 0 H GLU B 76 16.680 -6.544 9.291 1.00 1.01 H new ATOM 0 HA GLU B 76 15.547 -7.745 11.717 1.00 1.08 H new ATOM 0 HB2 GLU B 76 15.521 -8.276 8.847 1.00 1.36 H new ATOM 0 HB3 GLU B 76 16.043 -9.695 9.732 1.00 1.36 H new ATOM 0 HG2 GLU B 76 13.539 -8.145 10.453 1.00 1.88 H new ATOM 0 HG3 GLU B 76 13.538 -9.466 9.301 1.00 1.88 H new TER 2446 GLU B 76