USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=34 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 45 LYS NZ :NH3+ 162:sc= 2.35 (180deg=1.03) USER MOD Set 1.2: B 65 ASN : amide:sc= 1.03 K(o=3.4,f=-5.1!) USER MOD Set 2.1: B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 2 SER OG : rot 180:sc= 0.143 USER MOD Set 3.1: A 75 ASN : amide:sc= 1.14 K(o=2.4,f=-6.5!) USER MOD Set 3.2: B 56 LYS NZ :NH3+ 155:sc= 1.21 (180deg=1.3) USER MOD Set 4.1: A 65 ASN : amide:sc= 1.04 K(o=2.3,f=-6.9) USER MOD Set 4.2: B 45 LYS NZ :NH3+ 152:sc= 1.26! (180deg=-0.113!) USER MOD Set 5.1: A 56 LYS NZ :NH3+ -178:sc= 2.39 (180deg=1.12) USER MOD Set 5.2: B 75 ASN : amide:sc= -0.417 K(o=2,f=-9!) USER MOD Set 6.1: A 38 ASN : amide:sc= 0.827 K(o=1.7,f=-0.7) USER MOD Set 6.2: B 38 ASN : amide:sc= 0.823 K(o=1.7,f=-0.7!) USER MOD Set 7.1: A 30 SER OG : rot -159:sc= 1.14 USER MOD Set 7.2: A 33 LYS NZ :NH3+ 173:sc= 1.26 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.17) USER MOD Single : A 8 THR OG1 : rot -137:sc= -0.732 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.092 USER MOD Single : A 18 ASN : amide:sc= -0.0494 K(o=-0.049,f=-0.66) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.135 USER MOD Single : A 35 LYS NZ :NH3+ -140:sc= 1.2 (180deg=0.749) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 46 HIS : no HD1:sc= -0.053 X(o=-0.053,f=-0.34) USER MOD Single : A 47 THR OG1 : rot 67:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -84:sc= 0.493 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0649 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0864 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 70 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -160:sc= 1.21 (180deg=0.825) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.18) USER MOD Single : B 8 THR OG1 : rot -83:sc= 0.157 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 MET CE :methyl 158:sc= 0 (180deg=-0.681) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.11 USER MOD Single : B 18 ASN : amide:sc= -0.793 X(o=-0.79,f=-0.31) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0.0836 USER MOD Single : B 30 SER OG : rot 170:sc= 0.0828 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.1) USER MOD Single : B 40 ASN : amide:sc= -0.642 X(o=-0.64,f=-0.47) USER MOD Single : B 46 HIS : no HD1:sc=-0.00329 X(o=-0.0033,f=-0.0033) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0088 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot 65:sc= 0.765 USER MOD Single : B 58 THR OG1 : rot 180:sc= -0.0461 USER MOD Single : B 59 SER OG : rot 96:sc= 1.31 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.134 USER MOD Single : B 66 GLN : amide:sc= -1.16! C(o=-1.2!,f=-0.98!) USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 73 LYS NZ :NH3+ -125:sc= 1.23 (180deg=-0.245) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.303 53.963 -57.144 1.00 52.69 N ATOM 2 CA MET A 1 -30.740 54.245 -56.937 1.00 52.68 C ATOM 3 C MET A 1 -30.933 55.403 -55.961 1.00 52.43 C ATOM 4 O MET A 1 -31.019 56.558 -56.377 1.00 52.55 O ATOM 5 CB MET A 1 -31.419 52.978 -56.420 1.00 52.98 C ATOM 6 CG MET A 1 -32.938 53.027 -56.495 1.00 53.17 C ATOM 7 SD MET A 1 -33.554 52.896 -58.182 1.00 53.83 S ATOM 8 CE MET A 1 -34.669 54.298 -58.236 1.00 54.20 C ATOM 0 H1 MET A 1 -29.197 53.172 -57.811 1.00 52.69 H new ATOM 0 H2 MET A 1 -28.836 54.808 -57.531 1.00 52.69 H new ATOM 0 H3 MET A 1 -28.864 53.711 -56.235 1.00 52.69 H new ATOM 0 HA MET A 1 -31.193 54.541 -57.883 1.00 52.68 H new ATOM 0 HB2 MET A 1 -31.063 52.124 -56.996 1.00 52.98 H new ATOM 0 HB3 MET A 1 -31.120 52.812 -55.385 1.00 52.98 H new ATOM 0 HG2 MET A 1 -33.354 52.216 -55.897 1.00 53.17 H new ATOM 0 HG3 MET A 1 -33.290 53.960 -56.055 1.00 53.17 H new ATOM 0 HE1 MET A 1 -35.133 54.356 -59.221 1.00 54.20 H new ATOM 0 HE2 MET A 1 -35.442 54.178 -57.477 1.00 54.20 H new ATOM 0 HE3 MET A 1 -34.111 55.214 -58.043 1.00 54.20 H new ATOM 20 N SER A 2 -31.005 55.102 -54.667 1.00 52.13 N ATOM 21 CA SER A 2 -31.219 56.132 -53.661 1.00 51.92 C ATOM 22 C SER A 2 -30.089 56.138 -52.637 1.00 51.30 C ATOM 23 O SER A 2 -30.219 55.556 -51.559 1.00 50.91 O ATOM 24 CB SER A 2 -32.563 55.913 -52.961 1.00 51.94 C ATOM 25 OG SER A 2 -33.378 55.002 -53.686 1.00 52.25 O ATOM 0 H SER A 2 -30.918 54.157 -54.294 1.00 52.13 H new ATOM 0 HA SER A 2 -31.231 57.100 -54.161 1.00 51.92 H new ATOM 0 HB2 SER A 2 -32.394 55.531 -51.954 1.00 51.94 H new ATOM 0 HB3 SER A 2 -33.082 56.866 -52.858 1.00 51.94 H new ATOM 0 HG SER A 2 -34.229 54.879 -53.216 1.00 52.25 H new ATOM 31 N LEU A 3 -28.978 56.774 -52.992 1.00 51.24 N ATOM 32 CA LEU A 3 -27.812 56.868 -52.113 1.00 50.73 C ATOM 33 C LEU A 3 -27.315 55.482 -51.705 1.00 49.93 C ATOM 34 O LEU A 3 -27.190 55.182 -50.515 1.00 49.72 O ATOM 35 CB LEU A 3 -28.136 57.704 -50.867 1.00 50.73 C ATOM 36 CG LEU A 3 -27.486 59.090 -50.822 1.00 51.38 C ATOM 37 CD1 LEU A 3 -25.981 58.975 -50.644 1.00 51.29 C ATOM 38 CD2 LEU A 3 -27.812 59.875 -52.083 1.00 51.81 C ATOM 0 H LEU A 3 -28.858 57.238 -53.892 1.00 51.24 H new ATOM 0 HA LEU A 3 -27.017 57.365 -52.669 1.00 50.73 H new ATOM 0 HB2 LEU A 3 -29.217 57.826 -50.802 1.00 50.73 H new ATOM 0 HB3 LEU A 3 -27.825 57.146 -49.984 1.00 50.73 H new ATOM 0 HG LEU A 3 -27.892 59.627 -49.965 1.00 51.38 H new ATOM 0 HD11 LEU A 3 -25.541 59.972 -50.615 1.00 51.29 H new ATOM 0 HD12 LEU A 3 -25.764 58.455 -49.711 1.00 51.29 H new ATOM 0 HD13 LEU A 3 -25.558 58.416 -51.478 1.00 51.29 H new ATOM 0 HD21 LEU A 3 -27.341 60.857 -52.032 1.00 51.81 H new ATOM 0 HD22 LEU A 3 -27.437 59.337 -52.954 1.00 51.81 H new ATOM 0 HD23 LEU A 3 -28.892 59.994 -52.168 1.00 51.81 H new ATOM 50 N GLU A 4 -27.057 54.644 -52.715 1.00 49.54 N ATOM 51 CA GLU A 4 -26.547 53.281 -52.525 1.00 48.79 C ATOM 52 C GLU A 4 -27.625 52.334 -52.002 1.00 48.08 C ATOM 53 O GLU A 4 -27.363 51.154 -51.765 1.00 47.64 O ATOM 54 CB GLU A 4 -25.335 53.270 -51.591 1.00 48.81 C ATOM 55 CG GLU A 4 -24.004 53.262 -52.321 1.00 49.11 C ATOM 56 CD GLU A 4 -23.902 52.143 -53.333 1.00 49.00 C ATOM 57 OE1 GLU A 4 -23.554 51.008 -52.940 1.00 49.07 O ATOM 58 OE2 GLU A 4 -24.178 52.387 -54.526 1.00 48.89 O ATOM 0 H GLU A 4 -27.197 54.894 -53.694 1.00 49.54 H new ATOM 0 HA GLU A 4 -26.236 52.922 -53.506 1.00 48.79 H new ATOM 0 HB2 GLU A 4 -25.379 54.145 -50.943 1.00 48.81 H new ATOM 0 HB3 GLU A 4 -25.392 52.393 -50.947 1.00 48.81 H new ATOM 0 HG2 GLU A 4 -23.865 54.218 -52.827 1.00 49.11 H new ATOM 0 HG3 GLU A 4 -23.196 53.165 -51.595 1.00 49.11 H new ATOM 65 N LYS A 5 -28.844 52.829 -51.883 1.00 48.00 N ATOM 66 CA LYS A 5 -29.959 52.001 -51.448 1.00 47.39 C ATOM 67 C LYS A 5 -30.858 51.667 -52.629 1.00 46.83 C ATOM 68 O LYS A 5 -31.319 52.563 -53.338 1.00 46.53 O ATOM 69 CB LYS A 5 -30.763 52.713 -50.359 1.00 47.60 C ATOM 70 CG LYS A 5 -31.762 51.812 -49.655 1.00 48.09 C ATOM 71 CD LYS A 5 -31.508 51.768 -48.158 1.00 48.48 C ATOM 72 CE LYS A 5 -32.457 50.810 -47.460 1.00 49.07 C ATOM 73 NZ LYS A 5 -32.272 50.820 -45.986 1.00 49.26 N ATOM 0 H LYS A 5 -29.089 53.799 -52.081 1.00 48.00 H new ATOM 0 HA LYS A 5 -29.560 51.074 -51.035 1.00 47.39 H new ATOM 0 HB2 LYS A 5 -30.075 53.125 -49.621 1.00 47.60 H new ATOM 0 HB3 LYS A 5 -31.295 53.554 -50.803 1.00 47.60 H new ATOM 0 HG2 LYS A 5 -32.774 52.170 -49.844 1.00 48.09 H new ATOM 0 HG3 LYS A 5 -31.699 50.805 -50.066 1.00 48.09 H new ATOM 0 HD2 LYS A 5 -30.479 51.462 -47.972 1.00 48.48 H new ATOM 0 HD3 LYS A 5 -31.625 52.767 -47.739 1.00 48.48 H new ATOM 0 HE2 LYS A 5 -33.486 51.081 -47.698 1.00 49.07 H new ATOM 0 HE3 LYS A 5 -32.297 49.801 -47.839 1.00 49.07 H new ATOM 0 HZ1 LYS A 5 -32.939 50.153 -45.548 1.00 49.26 H new ATOM 0 HZ2 LYS A 5 -31.298 50.537 -45.756 1.00 49.26 H new ATOM 0 HZ3 LYS A 5 -32.450 51.777 -45.620 1.00 49.26 H new ATOM 87 N ALA A 6 -31.092 50.382 -52.850 1.00 46.75 N ATOM 88 CA ALA A 6 -31.932 49.933 -53.951 1.00 46.29 C ATOM 89 C ALA A 6 -32.864 48.816 -53.497 1.00 45.95 C ATOM 90 O ALA A 6 -34.066 49.027 -53.334 1.00 46.32 O ATOM 91 CB ALA A 6 -31.077 49.481 -55.123 1.00 46.58 C ATOM 0 H ALA A 6 -30.710 49.628 -52.279 1.00 46.75 H new ATOM 0 HA ALA A 6 -32.546 50.772 -54.280 1.00 46.29 H new ATOM 0 HB1 ALA A 6 -31.722 49.149 -55.937 1.00 46.58 H new ATOM 0 HB2 ALA A 6 -30.460 50.312 -55.465 1.00 46.58 H new ATOM 0 HB3 ALA A 6 -30.435 48.658 -54.809 1.00 46.58 H new ATOM 97 N HIS A 7 -32.303 47.643 -53.253 1.00 45.30 N ATOM 98 CA HIS A 7 -33.078 46.501 -52.788 1.00 44.97 C ATOM 99 C HIS A 7 -32.280 45.711 -51.761 1.00 44.39 C ATOM 100 O HIS A 7 -31.639 44.711 -52.089 1.00 43.96 O ATOM 101 CB HIS A 7 -33.454 45.598 -53.965 1.00 44.96 C ATOM 102 CG HIS A 7 -34.911 45.247 -54.016 1.00 45.01 C ATOM 103 ND1 HIS A 7 -35.476 44.513 -55.039 1.00 44.94 N ATOM 104 CD2 HIS A 7 -35.922 45.533 -53.163 1.00 45.18 C ATOM 105 CE1 HIS A 7 -36.769 44.367 -54.810 1.00 45.06 C ATOM 106 NE2 HIS A 7 -37.065 44.976 -53.678 1.00 45.21 N ATOM 0 H HIS A 7 -31.307 47.455 -53.370 1.00 45.30 H new ATOM 0 HA HIS A 7 -33.992 46.868 -52.322 1.00 44.97 H new ATOM 0 HB2 HIS A 7 -33.176 46.094 -54.895 1.00 44.96 H new ATOM 0 HB3 HIS A 7 -32.870 44.679 -53.907 1.00 44.96 H new ATOM 0 HD2 HIS A 7 -35.843 46.097 -52.245 1.00 45.18 H new ATOM 0 HE1 HIS A 7 -37.466 43.838 -55.443 1.00 45.06 H new ATOM 0 HE2 HIS A 7 -37.992 45.025 -53.255 1.00 45.21 H new ATOM 115 N THR A 8 -32.307 46.176 -50.523 1.00 44.44 N ATOM 116 CA THR A 8 -31.571 45.537 -49.442 1.00 43.96 C ATOM 117 C THR A 8 -32.375 44.393 -48.830 1.00 43.67 C ATOM 118 O THR A 8 -32.966 44.534 -47.755 1.00 43.66 O ATOM 119 CB THR A 8 -31.213 46.557 -48.347 1.00 44.29 C ATOM 120 OG1 THR A 8 -31.539 47.882 -48.792 1.00 44.86 O ATOM 121 CG2 THR A 8 -29.737 46.484 -47.996 1.00 43.97 C ATOM 0 H THR A 8 -32.835 47.001 -50.239 1.00 44.44 H new ATOM 0 HA THR A 8 -30.652 45.132 -49.867 1.00 43.96 H new ATOM 0 HB THR A 8 -31.791 46.317 -47.454 1.00 44.29 H new ATOM 0 HG1 THR A 8 -30.814 48.496 -48.550 1.00 44.86 H new ATOM 0 HG21 THR A 8 -29.511 47.215 -47.220 1.00 43.97 H new ATOM 0 HG22 THR A 8 -29.498 45.484 -47.633 1.00 43.97 H new ATOM 0 HG23 THR A 8 -29.141 46.700 -48.883 1.00 43.97 H new ATOM 129 N SER A 9 -32.440 43.284 -49.549 1.00 43.50 N ATOM 130 CA SER A 9 -33.207 42.131 -49.111 1.00 43.27 C ATOM 131 C SER A 9 -32.285 40.981 -48.710 1.00 42.89 C ATOM 132 O SER A 9 -32.741 39.932 -48.251 1.00 42.78 O ATOM 133 CB SER A 9 -34.153 41.692 -50.228 1.00 43.30 C ATOM 134 OG SER A 9 -34.366 42.748 -51.156 1.00 43.56 O ATOM 0 H SER A 9 -31.967 43.159 -50.444 1.00 43.50 H new ATOM 0 HA SER A 9 -33.791 42.411 -48.234 1.00 43.27 H new ATOM 0 HB2 SER A 9 -33.736 40.827 -50.744 1.00 43.30 H new ATOM 0 HB3 SER A 9 -35.106 41.380 -49.801 1.00 43.30 H new ATOM 0 HG SER A 9 -34.973 42.445 -51.863 1.00 43.56 H new ATOM 140 N VAL A 10 -30.984 41.191 -48.862 1.00 42.75 N ATOM 141 CA VAL A 10 -29.998 40.188 -48.485 1.00 42.43 C ATOM 142 C VAL A 10 -29.514 40.427 -47.063 1.00 41.60 C ATOM 143 O VAL A 10 -29.151 41.550 -46.699 1.00 41.43 O ATOM 144 CB VAL A 10 -28.786 40.185 -49.446 1.00 42.78 C ATOM 145 CG1 VAL A 10 -27.713 39.210 -48.974 1.00 43.09 C ATOM 146 CG2 VAL A 10 -29.228 39.840 -50.857 1.00 43.59 C ATOM 0 H VAL A 10 -30.587 42.049 -49.245 1.00 42.75 H new ATOM 0 HA VAL A 10 -30.487 39.216 -48.548 1.00 42.43 H new ATOM 0 HB VAL A 10 -28.356 41.187 -49.448 1.00 42.78 H new ATOM 0 HG11 VAL A 10 -26.873 39.229 -49.669 1.00 43.09 H new ATOM 0 HG12 VAL A 10 -27.369 39.500 -47.981 1.00 43.09 H new ATOM 0 HG13 VAL A 10 -28.128 38.203 -48.934 1.00 43.09 H new ATOM 0 HG21 VAL A 10 -28.363 39.842 -51.520 1.00 43.59 H new ATOM 0 HG22 VAL A 10 -29.687 38.851 -50.863 1.00 43.59 H new ATOM 0 HG23 VAL A 10 -29.952 40.578 -51.202 1.00 43.59 H new ATOM 156 N LYS A 11 -29.503 39.372 -46.264 1.00 41.14 N ATOM 157 CA LYS A 11 -29.024 39.444 -44.895 1.00 40.38 C ATOM 158 C LYS A 11 -28.468 38.088 -44.474 1.00 39.65 C ATOM 159 O LYS A 11 -28.988 37.050 -44.880 1.00 39.62 O ATOM 160 CB LYS A 11 -30.150 39.866 -43.953 1.00 40.21 C ATOM 161 CG LYS A 11 -29.687 40.740 -42.802 1.00 40.53 C ATOM 162 CD LYS A 11 -30.500 40.482 -41.543 1.00 40.45 C ATOM 163 CE LYS A 11 -30.121 41.443 -40.429 1.00 40.17 C ATOM 164 NZ LYS A 11 -30.153 40.789 -39.094 1.00 40.27 N ATOM 0 H LYS A 11 -29.825 38.446 -46.546 1.00 41.14 H new ATOM 0 HA LYS A 11 -28.232 40.191 -44.839 1.00 40.38 H new ATOM 0 HB2 LYS A 11 -30.907 40.403 -44.524 1.00 40.21 H new ATOM 0 HB3 LYS A 11 -30.628 38.973 -43.550 1.00 40.21 H new ATOM 0 HG2 LYS A 11 -28.633 40.550 -42.601 1.00 40.53 H new ATOM 0 HG3 LYS A 11 -29.773 41.790 -43.083 1.00 40.53 H new ATOM 0 HD2 LYS A 11 -31.562 40.584 -41.767 1.00 40.45 H new ATOM 0 HD3 LYS A 11 -30.341 39.456 -41.210 1.00 40.45 H new ATOM 0 HE2 LYS A 11 -29.122 41.838 -40.615 1.00 40.17 H new ATOM 0 HE3 LYS A 11 -30.805 42.291 -40.434 1.00 40.17 H new ATOM 0 HZ1 LYS A 11 -29.888 41.479 -38.363 1.00 40.27 H new ATOM 0 HZ2 LYS A 11 -31.112 40.434 -38.904 1.00 40.27 H new ATOM 0 HZ3 LYS A 11 -29.481 39.995 -39.080 1.00 40.27 H new ATOM 178 N LYS A 12 -27.384 38.101 -43.714 1.00 39.13 N ATOM 179 CA LYS A 12 -26.758 36.864 -43.271 1.00 38.46 C ATOM 180 C LYS A 12 -27.611 36.190 -42.204 1.00 37.88 C ATOM 181 O LYS A 12 -27.803 36.727 -41.110 1.00 37.85 O ATOM 182 CB LYS A 12 -25.348 37.129 -42.737 1.00 38.37 C ATOM 183 CG LYS A 12 -24.248 36.551 -43.614 1.00 38.40 C ATOM 184 CD LYS A 12 -24.347 35.036 -43.711 1.00 38.58 C ATOM 185 CE LYS A 12 -23.658 34.510 -44.959 1.00 38.68 C ATOM 186 NZ LYS A 12 -24.629 34.107 -46.013 1.00 38.69 N ATOM 0 H LYS A 12 -26.921 38.951 -43.392 1.00 39.13 H new ATOM 0 HA LYS A 12 -26.679 36.196 -44.128 1.00 38.46 H new ATOM 0 HB2 LYS A 12 -25.200 38.205 -42.644 1.00 38.37 H new ATOM 0 HB3 LYS A 12 -25.262 36.708 -41.735 1.00 38.37 H new ATOM 0 HG2 LYS A 12 -24.312 36.985 -44.612 1.00 38.40 H new ATOM 0 HG3 LYS A 12 -23.275 36.827 -43.208 1.00 38.40 H new ATOM 0 HD2 LYS A 12 -23.896 34.584 -42.828 1.00 38.58 H new ATOM 0 HD3 LYS A 12 -25.396 34.739 -43.721 1.00 38.58 H new ATOM 0 HE2 LYS A 12 -22.993 35.277 -45.355 1.00 38.68 H new ATOM 0 HE3 LYS A 12 -23.036 33.655 -44.695 1.00 38.68 H new ATOM 0 HZ1 LYS A 12 -24.113 33.755 -46.844 1.00 38.69 H new ATOM 0 HZ2 LYS A 12 -25.248 33.356 -45.646 1.00 38.69 H new ATOM 0 HZ3 LYS A 12 -25.206 34.928 -46.286 1.00 38.69 H new ATOM 200 N MET A 13 -28.183 35.051 -42.554 1.00 37.50 N ATOM 201 CA MET A 13 -29.077 34.335 -41.662 1.00 36.98 C ATOM 202 C MET A 13 -28.288 33.476 -40.684 1.00 36.15 C ATOM 203 O MET A 13 -27.934 32.333 -40.983 1.00 35.91 O ATOM 204 CB MET A 13 -30.049 33.466 -42.464 1.00 37.36 C ATOM 205 CG MET A 13 -31.389 33.270 -41.777 1.00 37.17 C ATOM 206 SD MET A 13 -31.551 31.644 -41.012 1.00 37.20 S ATOM 207 CE MET A 13 -31.927 32.110 -39.324 1.00 36.92 C ATOM 0 H MET A 13 -28.042 34.599 -43.458 1.00 37.50 H new ATOM 0 HA MET A 13 -29.650 35.068 -41.093 1.00 36.98 H new ATOM 0 HB2 MET A 13 -30.213 33.923 -43.440 1.00 37.36 H new ATOM 0 HB3 MET A 13 -29.593 32.492 -42.640 1.00 37.36 H new ATOM 0 HG2 MET A 13 -31.518 34.039 -41.016 1.00 37.17 H new ATOM 0 HG3 MET A 13 -32.189 33.405 -42.505 1.00 37.17 H new ATOM 0 HE1 MET A 13 -32.057 31.213 -38.719 1.00 36.92 H new ATOM 0 HE2 MET A 13 -31.108 32.705 -38.920 1.00 36.92 H new ATOM 0 HE3 MET A 13 -32.845 32.697 -39.304 1.00 36.92 H new ATOM 217 N THR A 14 -27.992 34.042 -39.527 1.00 35.77 N ATOM 218 CA THR A 14 -27.251 33.345 -38.496 1.00 35.01 C ATOM 219 C THR A 14 -28.162 32.378 -37.745 1.00 34.25 C ATOM 220 O THR A 14 -29.115 32.799 -37.080 1.00 34.26 O ATOM 221 CB THR A 14 -26.640 34.349 -37.508 1.00 35.04 C ATOM 222 OG1 THR A 14 -27.322 35.608 -37.629 1.00 35.67 O ATOM 223 CG2 THR A 14 -25.152 34.540 -37.770 1.00 35.17 C ATOM 0 H THR A 14 -28.259 34.995 -39.278 1.00 35.77 H new ATOM 0 HA THR A 14 -26.450 32.780 -38.973 1.00 35.01 H new ATOM 0 HB THR A 14 -26.757 33.958 -36.497 1.00 35.04 H new ATOM 0 HG1 THR A 14 -26.941 36.116 -38.376 1.00 35.67 H new ATOM 0 HG21 THR A 14 -24.746 35.256 -37.056 1.00 35.17 H new ATOM 0 HG22 THR A 14 -24.638 33.585 -37.659 1.00 35.17 H new ATOM 0 HG23 THR A 14 -25.006 34.915 -38.783 1.00 35.17 H new ATOM 231 N PHE A 15 -27.876 31.089 -37.868 1.00 33.64 N ATOM 232 CA PHE A 15 -28.667 30.061 -37.202 1.00 32.92 C ATOM 233 C PHE A 15 -28.330 30.017 -35.718 1.00 32.10 C ATOM 234 O PHE A 15 -29.193 29.747 -34.880 1.00 31.56 O ATOM 235 CB PHE A 15 -28.437 28.686 -37.846 1.00 32.71 C ATOM 236 CG PHE A 15 -26.991 28.281 -37.950 1.00 32.75 C ATOM 237 CD1 PHE A 15 -26.224 28.671 -39.037 1.00 32.63 C ATOM 238 CD2 PHE A 15 -26.399 27.515 -36.963 1.00 32.99 C ATOM 239 CE1 PHE A 15 -24.898 28.302 -39.137 1.00 32.74 C ATOM 240 CE2 PHE A 15 -25.073 27.141 -37.057 1.00 33.10 C ATOM 241 CZ PHE A 15 -24.322 27.531 -38.141 1.00 32.99 C ATOM 0 H PHE A 15 -27.100 30.729 -38.424 1.00 33.64 H new ATOM 0 HA PHE A 15 -29.721 30.314 -37.316 1.00 32.92 H new ATOM 0 HB2 PHE A 15 -28.972 27.933 -37.267 1.00 32.71 H new ATOM 0 HB3 PHE A 15 -28.873 28.689 -38.845 1.00 32.71 H new ATOM 0 HD1 PHE A 15 -26.670 29.272 -39.816 1.00 32.63 H new ATOM 0 HD2 PHE A 15 -26.981 27.205 -36.108 1.00 32.99 H new ATOM 0 HE1 PHE A 15 -24.312 28.613 -39.989 1.00 32.74 H new ATOM 0 HE2 PHE A 15 -24.625 26.541 -36.278 1.00 33.10 H new ATOM 0 HZ PHE A 15 -23.286 27.237 -38.215 1.00 32.99 H new ATOM 251 N GLY A 16 -27.097 30.389 -35.397 1.00 32.07 N ATOM 252 CA GLY A 16 -26.679 30.493 -34.014 1.00 31.38 C ATOM 253 C GLY A 16 -26.697 29.169 -33.277 1.00 30.74 C ATOM 254 O GLY A 16 -27.471 28.986 -32.333 1.00 30.29 O ATOM 0 H GLY A 16 -26.374 30.622 -36.078 1.00 32.07 H new ATOM 0 HA2 GLY A 16 -25.671 30.907 -33.977 1.00 31.38 H new ATOM 0 HA3 GLY A 16 -27.332 31.197 -33.497 1.00 31.38 H new ATOM 258 N GLU A 17 -25.752 28.310 -33.610 1.00 30.74 N ATOM 259 CA GLU A 17 -25.559 27.071 -32.874 1.00 30.20 C ATOM 260 C GLU A 17 -24.582 27.318 -31.736 1.00 29.71 C ATOM 261 O GLU A 17 -24.730 26.771 -30.643 1.00 29.63 O ATOM 262 CB GLU A 17 -25.027 25.970 -33.794 1.00 30.52 C ATOM 263 CG GLU A 17 -25.955 24.773 -33.911 1.00 30.95 C ATOM 264 CD GLU A 17 -25.453 23.566 -33.142 1.00 31.17 C ATOM 265 OE1 GLU A 17 -25.703 23.487 -31.923 1.00 31.28 O ATOM 266 OE2 GLU A 17 -24.801 22.692 -33.753 1.00 31.29 O ATOM 0 H GLU A 17 -25.104 28.446 -34.386 1.00 30.74 H new ATOM 0 HA GLU A 17 -26.517 26.741 -32.473 1.00 30.20 H new ATOM 0 HB2 GLU A 17 -24.859 26.387 -34.787 1.00 30.52 H new ATOM 0 HB3 GLU A 17 -24.059 25.634 -33.422 1.00 30.52 H new ATOM 0 HG2 GLU A 17 -26.944 25.048 -33.543 1.00 30.95 H new ATOM 0 HG3 GLU A 17 -26.068 24.508 -34.962 1.00 30.95 H new ATOM 273 N ASN A 18 -23.620 28.200 -32.001 1.00 29.45 N ATOM 274 CA ASN A 18 -22.608 28.596 -31.024 1.00 29.03 C ATOM 275 C ASN A 18 -21.935 27.375 -30.407 1.00 28.24 C ATOM 276 O ASN A 18 -22.042 27.115 -29.204 1.00 28.03 O ATOM 277 CB ASN A 18 -23.216 29.483 -29.935 1.00 29.10 C ATOM 278 CG ASN A 18 -22.159 30.093 -29.035 1.00 28.93 C ATOM 279 OD1 ASN A 18 -21.081 30.482 -29.493 1.00 28.81 O ATOM 280 ND2 ASN A 18 -22.462 30.185 -27.751 1.00 29.02 N ATOM 0 H ASN A 18 -23.520 28.662 -32.905 1.00 29.45 H new ATOM 0 HA ASN A 18 -21.847 29.174 -31.549 1.00 29.03 H new ATOM 0 HB2 ASN A 18 -23.798 30.279 -30.400 1.00 29.10 H new ATOM 0 HB3 ASN A 18 -23.907 28.893 -29.333 1.00 29.10 H new ATOM 0 HD21 ASN A 18 -21.793 30.590 -27.097 1.00 29.02 H new ATOM 0 HD22 ASN A 18 -23.365 29.851 -27.415 1.00 29.02 H new ATOM 287 N ARG A 19 -21.263 26.610 -31.247 1.00 27.89 N ATOM 288 CA ARG A 19 -20.585 25.397 -30.810 1.00 27.19 C ATOM 289 C ARG A 19 -19.185 25.718 -30.293 1.00 26.47 C ATOM 290 O ARG A 19 -18.205 25.078 -30.673 1.00 26.25 O ATOM 291 CB ARG A 19 -20.511 24.397 -31.964 1.00 27.23 C ATOM 292 CG ARG A 19 -20.807 22.969 -31.547 1.00 27.00 C ATOM 293 CD ARG A 19 -19.758 22.009 -32.079 1.00 27.20 C ATOM 294 NE ARG A 19 -19.187 21.181 -31.020 1.00 27.45 N ATOM 295 CZ ARG A 19 -17.915 20.790 -30.987 1.00 27.94 C ATOM 296 NH1 ARG A 19 -17.068 21.202 -31.921 1.00 28.23 N ATOM 297 NH2 ARG A 19 -17.481 20.003 -30.012 1.00 28.23 N ATOM 0 H ARG A 19 -21.170 26.807 -32.244 1.00 27.89 H new ATOM 0 HA ARG A 19 -21.155 24.954 -29.994 1.00 27.19 H new ATOM 0 HB2 ARG A 19 -21.218 24.695 -32.738 1.00 27.23 H new ATOM 0 HB3 ARG A 19 -19.516 24.439 -32.407 1.00 27.23 H new ATOM 0 HG2 ARG A 19 -20.842 22.906 -30.459 1.00 27.00 H new ATOM 0 HG3 ARG A 19 -21.790 22.677 -31.916 1.00 27.00 H new ATOM 0 HD2 ARG A 19 -20.205 21.368 -32.839 1.00 27.20 H new ATOM 0 HD3 ARG A 19 -18.963 22.574 -32.566 1.00 27.20 H new ATOM 0 HE ARG A 19 -19.800 20.885 -30.260 1.00 27.45 H new ATOM 0 HH11 ARG A 19 -17.391 21.819 -32.666 1.00 28.23 H new ATOM 0 HH12 ARG A 19 -16.094 20.901 -31.894 1.00 28.23 H new ATOM 0 HH21 ARG A 19 -18.123 19.694 -29.282 1.00 28.23 H new ATOM 0 HH22 ARG A 19 -16.505 19.707 -29.992 1.00 28.23 H new ATOM 311 N ASP A 20 -19.104 26.709 -29.413 1.00 26.17 N ATOM 312 CA ASP A 20 -17.837 27.111 -28.811 1.00 25.54 C ATOM 313 C ASP A 20 -17.592 26.317 -27.536 1.00 24.65 C ATOM 314 O ASP A 20 -18.528 26.058 -26.776 1.00 24.53 O ATOM 315 CB ASP A 20 -17.844 28.614 -28.504 1.00 26.03 C ATOM 316 CG ASP A 20 -16.575 29.080 -27.815 1.00 25.70 C ATOM 317 OD1 ASP A 20 -15.481 28.927 -28.403 1.00 25.48 O ATOM 318 OD2 ASP A 20 -16.666 29.614 -26.688 1.00 25.72 O ATOM 0 H ASP A 20 -19.907 27.253 -29.098 1.00 26.17 H new ATOM 0 HA ASP A 20 -17.033 26.905 -29.517 1.00 25.54 H new ATOM 0 HB2 ASP A 20 -17.972 29.169 -29.433 1.00 26.03 H new ATOM 0 HB3 ASP A 20 -18.701 28.847 -27.872 1.00 26.03 H new ATOM 323 N LEU A 21 -16.365 25.855 -27.349 1.00 24.13 N ATOM 324 CA LEU A 21 -16.031 25.018 -26.203 1.00 23.35 C ATOM 325 C LEU A 21 -14.883 25.622 -25.401 1.00 22.33 C ATOM 326 O LEU A 21 -14.002 26.278 -25.957 1.00 21.99 O ATOM 327 CB LEU A 21 -15.653 23.609 -26.667 1.00 23.63 C ATOM 328 CG LEU A 21 -16.745 22.547 -26.502 1.00 23.70 C ATOM 329 CD1 LEU A 21 -17.793 22.680 -27.596 1.00 24.80 C ATOM 330 CD2 LEU A 21 -16.138 21.150 -26.518 1.00 23.44 C ATOM 0 H LEU A 21 -15.583 26.045 -27.975 1.00 24.13 H new ATOM 0 HA LEU A 21 -16.910 24.961 -25.561 1.00 23.35 H new ATOM 0 HB2 LEU A 21 -15.371 23.655 -27.719 1.00 23.63 H new ATOM 0 HB3 LEU A 21 -14.771 23.287 -26.114 1.00 23.63 H new ATOM 0 HG LEU A 21 -17.230 22.704 -25.539 1.00 23.70 H new ATOM 0 HD11 LEU A 21 -18.559 21.917 -27.461 1.00 24.80 H new ATOM 0 HD12 LEU A 21 -18.251 23.668 -27.543 1.00 24.80 H new ATOM 0 HD13 LEU A 21 -17.321 22.551 -28.570 1.00 24.80 H new ATOM 0 HD21 LEU A 21 -16.928 20.409 -26.400 1.00 23.44 H new ATOM 0 HD22 LEU A 21 -15.626 20.987 -27.466 1.00 23.44 H new ATOM 0 HD23 LEU A 21 -15.425 21.054 -25.699 1.00 23.44 H new ATOM 342 N GLU A 22 -14.873 25.356 -24.102 1.00 21.92 N ATOM 343 CA GLU A 22 -13.822 25.851 -23.219 1.00 21.00 C ATOM 344 C GLU A 22 -12.638 24.886 -23.200 1.00 20.38 C ATOM 345 O GLU A 22 -12.457 24.124 -22.247 1.00 20.63 O ATOM 346 CB GLU A 22 -14.374 26.030 -21.802 1.00 21.11 C ATOM 347 CG GLU A 22 -14.038 27.373 -21.177 1.00 21.38 C ATOM 348 CD GLU A 22 -13.270 27.233 -19.879 1.00 21.67 C ATOM 349 OE1 GLU A 22 -13.637 26.369 -19.059 1.00 21.86 O ATOM 350 OE2 GLU A 22 -12.293 27.985 -19.673 1.00 21.81 O ATOM 0 H GLU A 22 -15.585 24.797 -23.633 1.00 21.92 H new ATOM 0 HA GLU A 22 -13.477 26.814 -23.594 1.00 21.00 H new ATOM 0 HB2 GLU A 22 -15.457 25.912 -21.827 1.00 21.11 H new ATOM 0 HB3 GLU A 22 -13.982 25.236 -21.167 1.00 21.11 H new ATOM 0 HG2 GLU A 22 -13.450 27.961 -21.882 1.00 21.38 H new ATOM 0 HG3 GLU A 22 -14.960 27.925 -20.992 1.00 21.38 H new ATOM 357 N ARG A 23 -11.861 24.893 -24.276 1.00 19.67 N ATOM 358 CA ARG A 23 -10.732 23.981 -24.413 1.00 19.08 C ATOM 359 C ARG A 23 -9.460 24.571 -23.818 1.00 18.24 C ATOM 360 O ARG A 23 -8.487 24.833 -24.526 1.00 17.96 O ATOM 361 CB ARG A 23 -10.513 23.629 -25.885 1.00 19.09 C ATOM 362 CG ARG A 23 -10.080 22.189 -26.103 1.00 19.33 C ATOM 363 CD ARG A 23 -11.180 21.215 -25.714 1.00 19.75 C ATOM 364 NE ARG A 23 -10.904 19.859 -26.181 1.00 20.13 N ATOM 365 CZ ARG A 23 -10.510 18.865 -25.387 1.00 20.90 C ATOM 366 NH1 ARG A 23 -10.324 19.080 -24.089 1.00 21.36 N ATOM 367 NH2 ARG A 23 -10.296 17.657 -25.891 1.00 21.30 N ATOM 0 H ARG A 23 -11.992 25.522 -25.068 1.00 19.67 H new ATOM 0 HA ARG A 23 -10.968 23.073 -23.859 1.00 19.08 H new ATOM 0 HB2 ARG A 23 -11.436 23.810 -26.436 1.00 19.09 H new ATOM 0 HB3 ARG A 23 -9.757 24.295 -26.302 1.00 19.09 H new ATOM 0 HG2 ARG A 23 -9.815 22.042 -27.150 1.00 19.33 H new ATOM 0 HG3 ARG A 23 -9.185 21.983 -25.515 1.00 19.33 H new ATOM 0 HD2 ARG A 23 -11.291 21.209 -24.630 1.00 19.75 H new ATOM 0 HD3 ARG A 23 -12.128 21.555 -26.130 1.00 19.75 H new ATOM 0 HE ARG A 23 -11.020 19.661 -27.175 1.00 20.13 H new ATOM 0 HH11 ARG A 23 -10.483 20.009 -23.698 1.00 21.36 H new ATOM 0 HH12 ARG A 23 -10.022 18.316 -23.484 1.00 21.36 H new ATOM 0 HH21 ARG A 23 -10.433 17.489 -26.888 1.00 21.30 H new ATOM 0 HH22 ARG A 23 -9.994 16.896 -25.282 1.00 21.30 H new ATOM 381 N VAL A 24 -9.457 24.725 -22.506 1.00 17.96 N ATOM 382 CA VAL A 24 -8.289 25.221 -21.803 1.00 17.23 C ATOM 383 C VAL A 24 -7.528 24.063 -21.160 1.00 16.44 C ATOM 384 O VAL A 24 -8.114 23.232 -20.463 1.00 16.45 O ATOM 385 CB VAL A 24 -8.681 26.271 -20.743 1.00 17.51 C ATOM 386 CG1 VAL A 24 -9.801 25.756 -19.854 1.00 16.96 C ATOM 387 CG2 VAL A 24 -7.476 26.691 -19.915 1.00 18.40 C ATOM 0 H VAL A 24 -10.253 24.513 -21.905 1.00 17.96 H new ATOM 0 HA VAL A 24 -7.637 25.708 -22.528 1.00 17.23 H new ATOM 0 HB VAL A 24 -9.048 27.153 -21.268 1.00 17.51 H new ATOM 0 HG11 VAL A 24 -10.058 26.516 -19.116 1.00 16.96 H new ATOM 0 HG12 VAL A 24 -10.676 25.532 -20.464 1.00 16.96 H new ATOM 0 HG13 VAL A 24 -9.473 24.850 -19.344 1.00 16.96 H new ATOM 0 HG21 VAL A 24 -7.782 27.432 -19.176 1.00 18.40 H new ATOM 0 HG22 VAL A 24 -7.063 25.820 -19.406 1.00 18.40 H new ATOM 0 HG23 VAL A 24 -6.718 27.123 -20.569 1.00 18.40 H new ATOM 397 N VAL A 25 -6.250 23.947 -21.486 1.00 15.87 N ATOM 398 CA VAL A 25 -5.449 22.823 -21.022 1.00 15.18 C ATOM 399 C VAL A 25 -4.350 23.269 -20.070 1.00 14.49 C ATOM 400 O VAL A 25 -3.162 23.090 -20.339 1.00 14.22 O ATOM 401 CB VAL A 25 -4.819 22.036 -22.193 1.00 15.12 C ATOM 402 CG1 VAL A 25 -5.589 20.752 -22.453 1.00 15.22 C ATOM 403 CG2 VAL A 25 -4.750 22.886 -23.458 1.00 15.32 C ATOM 0 H VAL A 25 -5.745 24.615 -22.069 1.00 15.87 H new ATOM 0 HA VAL A 25 -6.136 22.165 -20.489 1.00 15.18 H new ATOM 0 HB VAL A 25 -3.799 21.776 -21.909 1.00 15.12 H new ATOM 0 HG11 VAL A 25 -5.129 20.213 -23.281 1.00 15.22 H new ATOM 0 HG12 VAL A 25 -5.569 20.129 -21.559 1.00 15.22 H new ATOM 0 HG13 VAL A 25 -6.622 20.992 -22.705 1.00 15.22 H new ATOM 0 HG21 VAL A 25 -4.302 22.304 -24.263 1.00 15.32 H new ATOM 0 HG22 VAL A 25 -5.756 23.191 -23.747 1.00 15.32 H new ATOM 0 HG23 VAL A 25 -4.143 23.771 -23.269 1.00 15.32 H new ATOM 413 N THR A 26 -4.759 23.742 -18.910 1.00 14.33 N ATOM 414 CA THR A 26 -3.822 24.099 -17.858 1.00 13.78 C ATOM 415 C THR A 26 -3.457 22.860 -17.046 1.00 13.06 C ATOM 416 O THR A 26 -4.333 22.191 -16.497 1.00 13.24 O ATOM 417 CB THR A 26 -4.414 25.171 -16.926 1.00 14.30 C ATOM 418 OG1 THR A 26 -5.053 26.192 -17.707 1.00 15.24 O ATOM 419 CG2 THR A 26 -3.335 25.791 -16.052 1.00 14.19 C ATOM 0 H THR A 26 -5.739 23.890 -18.669 1.00 14.33 H new ATOM 0 HA THR A 26 -2.927 24.508 -18.327 1.00 13.78 H new ATOM 0 HB THR A 26 -5.148 24.694 -16.276 1.00 14.30 H new ATOM 0 HG1 THR A 26 -5.430 26.872 -17.111 1.00 15.24 H new ATOM 0 HG21 THR A 26 -3.781 26.545 -15.403 1.00 14.19 H new ATOM 0 HG22 THR A 26 -2.871 25.016 -15.442 1.00 14.19 H new ATOM 0 HG23 THR A 26 -2.579 26.257 -16.683 1.00 14.19 H new ATOM 427 N ALA A 27 -2.181 22.509 -17.048 1.00 12.38 N ATOM 428 CA ALA A 27 -1.718 21.317 -16.361 1.00 11.72 C ATOM 429 C ALA A 27 -1.689 21.535 -14.853 1.00 10.95 C ATOM 430 O ALA A 27 -1.067 22.482 -14.365 1.00 10.49 O ATOM 431 CB ALA A 27 -0.339 20.918 -16.868 1.00 11.52 C ATOM 0 H ALA A 27 -1.446 23.036 -17.520 1.00 12.38 H new ATOM 0 HA ALA A 27 -2.417 20.507 -16.572 1.00 11.72 H new ATOM 0 HB1 ALA A 27 -0.004 20.023 -16.344 1.00 11.52 H new ATOM 0 HB2 ALA A 27 -0.389 20.715 -17.938 1.00 11.52 H new ATOM 0 HB3 ALA A 27 0.365 21.730 -16.685 1.00 11.52 H new ATOM 437 N PRO A 28 -2.401 20.688 -14.100 1.00 10.96 N ATOM 438 CA PRO A 28 -2.474 20.782 -12.644 1.00 10.40 C ATOM 439 C PRO A 28 -1.211 20.234 -11.985 1.00 9.29 C ATOM 440 O PRO A 28 -1.199 19.115 -11.461 1.00 9.03 O ATOM 441 CB PRO A 28 -3.693 19.919 -12.277 1.00 11.01 C ATOM 442 CG PRO A 28 -4.301 19.489 -13.577 1.00 11.79 C ATOM 443 CD PRO A 28 -3.210 19.574 -14.599 1.00 11.72 C ATOM 0 HA PRO A 28 -2.563 21.813 -12.302 1.00 10.40 H new ATOM 0 HB2 PRO A 28 -3.395 19.056 -11.681 1.00 11.01 H new ATOM 0 HB3 PRO A 28 -4.408 20.487 -11.681 1.00 11.01 H new ATOM 0 HG2 PRO A 28 -4.690 18.473 -13.507 1.00 11.79 H new ATOM 0 HG3 PRO A 28 -5.138 20.133 -13.847 1.00 11.79 H new ATOM 0 HD2 PRO A 28 -2.636 18.649 -14.659 1.00 11.72 H new ATOM 0 HD3 PRO A 28 -3.602 19.771 -15.597 1.00 11.72 H new ATOM 451 N VAL A 29 -0.131 20.991 -12.082 1.00 8.79 N ATOM 452 CA VAL A 29 1.158 20.568 -11.548 1.00 7.84 C ATOM 453 C VAL A 29 1.238 20.813 -10.044 1.00 7.19 C ATOM 454 O VAL A 29 2.112 21.535 -9.568 1.00 7.22 O ATOM 455 CB VAL A 29 2.328 21.292 -12.247 1.00 7.91 C ATOM 456 CG1 VAL A 29 2.735 20.553 -13.512 1.00 7.97 C ATOM 457 CG2 VAL A 29 1.972 22.741 -12.563 1.00 8.51 C ATOM 0 H VAL A 29 -0.119 21.908 -12.528 1.00 8.79 H new ATOM 0 HA VAL A 29 1.244 19.499 -11.741 1.00 7.84 H new ATOM 0 HB VAL A 29 3.175 21.298 -11.561 1.00 7.91 H new ATOM 0 HG11 VAL A 29 3.561 21.079 -13.991 1.00 7.97 H new ATOM 0 HG12 VAL A 29 3.048 19.541 -13.257 1.00 7.97 H new ATOM 0 HG13 VAL A 29 1.888 20.509 -14.196 1.00 7.97 H new ATOM 0 HG21 VAL A 29 2.816 23.224 -13.055 1.00 8.51 H new ATOM 0 HG22 VAL A 29 1.104 22.767 -13.222 1.00 8.51 H new ATOM 0 HG23 VAL A 29 1.741 23.269 -11.638 1.00 8.51 H new ATOM 467 N SER A 30 0.310 20.224 -9.307 1.00 6.88 N ATOM 468 CA SER A 30 0.248 20.391 -7.865 1.00 6.51 C ATOM 469 C SER A 30 1.435 19.716 -7.183 1.00 5.49 C ATOM 470 O SER A 30 1.796 18.581 -7.512 1.00 5.34 O ATOM 471 CB SER A 30 -1.067 19.812 -7.342 1.00 7.14 C ATOM 472 OG SER A 30 -2.002 19.650 -8.401 1.00 8.11 O ATOM 0 H SER A 30 -0.418 19.620 -9.689 1.00 6.88 H new ATOM 0 HA SER A 30 0.293 21.455 -7.633 1.00 6.51 H new ATOM 0 HB2 SER A 30 -0.882 18.850 -6.864 1.00 7.14 H new ATOM 0 HB3 SER A 30 -1.483 20.472 -6.581 1.00 7.14 H new ATOM 0 HG SER A 30 -2.909 19.605 -8.033 1.00 8.11 H new ATOM 478 N SER A 31 2.036 20.420 -6.237 1.00 5.13 N ATOM 479 CA SER A 31 3.165 19.897 -5.489 1.00 4.45 C ATOM 480 C SER A 31 2.683 18.936 -4.409 1.00 3.89 C ATOM 481 O SER A 31 3.309 17.905 -4.145 1.00 4.19 O ATOM 482 CB SER A 31 3.942 21.055 -4.865 1.00 4.99 C ATOM 483 OG SER A 31 3.464 22.302 -5.350 1.00 5.80 O ATOM 0 H SER A 31 1.756 21.363 -5.968 1.00 5.13 H new ATOM 0 HA SER A 31 3.822 19.350 -6.165 1.00 4.45 H new ATOM 0 HB2 SER A 31 3.846 21.021 -3.780 1.00 4.99 H new ATOM 0 HB3 SER A 31 5.003 20.953 -5.094 1.00 4.99 H new ATOM 0 HG SER A 31 3.973 23.030 -4.937 1.00 5.80 H new ATOM 489 N GLY A 32 1.524 19.244 -3.844 1.00 3.41 N ATOM 490 CA GLY A 32 0.925 18.382 -2.847 1.00 3.15 C ATOM 491 C GLY A 32 0.143 17.247 -3.473 1.00 2.12 C ATOM 492 O GLY A 32 -1.064 17.118 -3.264 1.00 2.44 O ATOM 0 H GLY A 32 0.985 20.082 -4.061 1.00 3.41 H new ATOM 0 HA2 GLY A 32 1.706 17.973 -2.205 1.00 3.15 H new ATOM 0 HA3 GLY A 32 0.264 18.970 -2.210 1.00 3.15 H new ATOM 496 N LYS A 33 0.835 16.415 -4.235 1.00 1.50 N ATOM 497 CA LYS A 33 0.221 15.267 -4.875 1.00 0.87 C ATOM 498 C LYS A 33 0.947 13.995 -4.465 1.00 0.73 C ATOM 499 O LYS A 33 2.158 14.008 -4.238 1.00 0.87 O ATOM 500 CB LYS A 33 0.247 15.420 -6.398 1.00 1.50 C ATOM 501 CG LYS A 33 -0.853 16.323 -6.937 1.00 2.21 C ATOM 502 CD LYS A 33 -1.711 15.610 -7.971 1.00 3.19 C ATOM 503 CE LYS A 33 -3.081 16.260 -8.104 1.00 4.16 C ATOM 504 NZ LYS A 33 -3.116 17.260 -9.203 1.00 4.98 N ATOM 0 H LYS A 33 1.832 16.517 -4.425 1.00 1.50 H new ATOM 0 HA LYS A 33 -0.819 15.205 -4.553 1.00 0.87 H new ATOM 0 HB2 LYS A 33 1.215 15.821 -6.698 1.00 1.50 H new ATOM 0 HB3 LYS A 33 0.154 14.435 -6.856 1.00 1.50 H new ATOM 0 HG2 LYS A 33 -1.482 16.662 -6.114 1.00 2.21 H new ATOM 0 HG3 LYS A 33 -0.408 17.212 -7.384 1.00 2.21 H new ATOM 0 HD2 LYS A 33 -1.205 15.624 -8.937 1.00 3.19 H new ATOM 0 HD3 LYS A 33 -1.829 14.564 -7.688 1.00 3.19 H new ATOM 0 HE2 LYS A 33 -3.831 15.491 -8.289 1.00 4.16 H new ATOM 0 HE3 LYS A 33 -3.346 16.744 -7.164 1.00 4.16 H new ATOM 0 HZ1 LYS A 33 -4.092 17.593 -9.339 1.00 4.98 H new ATOM 0 HZ2 LYS A 33 -2.506 18.066 -8.958 1.00 4.98 H new ATOM 0 HZ3 LYS A 33 -2.774 16.822 -10.082 1.00 4.98 H new ATOM 518 N ILE A 34 0.197 12.918 -4.323 1.00 0.64 N ATOM 519 CA ILE A 34 0.758 11.642 -3.920 1.00 0.59 C ATOM 520 C ILE A 34 0.835 10.708 -5.122 1.00 0.52 C ATOM 521 O ILE A 34 -0.037 10.722 -5.990 1.00 0.59 O ATOM 522 CB ILE A 34 -0.078 11.002 -2.788 1.00 0.65 C ATOM 523 CG1 ILE A 34 -0.099 11.920 -1.563 1.00 1.10 C ATOM 524 CG2 ILE A 34 0.469 9.636 -2.409 1.00 1.06 C ATOM 525 CD1 ILE A 34 1.248 12.062 -0.881 1.00 1.67 C ATOM 0 H ILE A 34 -0.810 12.902 -4.482 1.00 0.64 H new ATOM 0 HA ILE A 34 1.764 11.811 -3.537 1.00 0.59 H new ATOM 0 HB ILE A 34 -1.097 10.870 -3.152 1.00 0.65 H new ATOM 0 HG12 ILE A 34 -0.448 12.907 -1.866 1.00 1.10 H new ATOM 0 HG13 ILE A 34 -0.821 11.534 -0.844 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -0.138 9.210 -1.611 1.00 1.06 H new ATOM 0 HG22 ILE A 34 0.440 8.979 -3.278 1.00 1.06 H new ATOM 0 HG23 ILE A 34 1.499 9.739 -2.066 1.00 1.06 H new ATOM 0 HD11 ILE A 34 1.153 12.727 -0.023 1.00 1.67 H new ATOM 0 HD12 ILE A 34 1.591 11.083 -0.545 1.00 1.67 H new ATOM 0 HD13 ILE A 34 1.970 12.478 -1.584 1.00 1.67 H new ATOM 537 N LYS A 35 1.927 9.973 -5.211 1.00 0.50 N ATOM 538 CA LYS A 35 2.187 9.096 -6.340 1.00 0.49 C ATOM 539 C LYS A 35 2.099 7.642 -5.906 1.00 0.44 C ATOM 540 O LYS A 35 2.259 7.335 -4.727 1.00 0.47 O ATOM 541 CB LYS A 35 3.573 9.394 -6.916 1.00 0.59 C ATOM 542 CG LYS A 35 4.018 10.831 -6.698 1.00 0.92 C ATOM 543 CD LYS A 35 4.254 11.550 -8.013 1.00 1.10 C ATOM 544 CE LYS A 35 2.971 12.139 -8.575 1.00 1.08 C ATOM 545 NZ LYS A 35 3.253 13.212 -9.563 1.00 1.27 N ATOM 0 H LYS A 35 2.661 9.966 -4.502 1.00 0.50 H new ATOM 0 HA LYS A 35 1.436 9.274 -7.110 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.300 8.722 -6.460 1.00 0.59 H new ATOM 0 HB3 LYS A 35 3.568 9.181 -7.985 1.00 0.59 H new ATOM 0 HG2 LYS A 35 3.261 11.363 -6.123 1.00 0.92 H new ATOM 0 HG3 LYS A 35 4.934 10.843 -6.107 1.00 0.92 H new ATOM 0 HD2 LYS A 35 4.985 12.345 -7.866 1.00 1.10 H new ATOM 0 HD3 LYS A 35 4.681 10.855 -8.735 1.00 1.10 H new ATOM 0 HE2 LYS A 35 2.385 11.352 -9.049 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.367 12.541 -7.762 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 2.575 13.990 -9.433 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 4.220 13.568 -9.422 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 3.161 12.830 -10.526 1.00 1.27 H new ATOM 559 N ARG A 36 1.808 6.757 -6.844 1.00 0.52 N ATOM 560 CA ARG A 36 1.670 5.337 -6.534 1.00 0.53 C ATOM 561 C ARG A 36 2.748 4.517 -7.231 1.00 0.56 C ATOM 562 O ARG A 36 2.975 4.659 -8.435 1.00 0.76 O ATOM 563 CB ARG A 36 0.280 4.814 -6.927 1.00 0.64 C ATOM 564 CG ARG A 36 -0.421 5.641 -7.988 1.00 1.17 C ATOM 565 CD ARG A 36 -0.424 4.939 -9.338 1.00 1.51 C ATOM 566 NE ARG A 36 -1.693 4.258 -9.603 1.00 2.02 N ATOM 567 CZ ARG A 36 -2.827 4.890 -9.906 1.00 2.75 C ATOM 568 NH1 ARG A 36 -2.837 6.208 -10.058 1.00 2.99 N ATOM 569 NH2 ARG A 36 -3.945 4.197 -10.096 1.00 3.65 N ATOM 0 H ARG A 36 1.662 6.992 -7.826 1.00 0.52 H new ATOM 0 HA ARG A 36 1.789 5.228 -5.456 1.00 0.53 H new ATOM 0 HB2 ARG A 36 0.378 3.790 -7.287 1.00 0.64 H new ATOM 0 HB3 ARG A 36 -0.348 4.780 -6.036 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -1.447 5.837 -7.677 1.00 1.17 H new ATOM 0 HG3 ARG A 36 0.074 6.608 -8.082 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -0.233 5.668 -10.125 1.00 1.51 H new ATOM 0 HD3 ARG A 36 0.389 4.214 -9.371 1.00 1.51 H new ATOM 0 HE ARG A 36 -1.710 3.239 -9.553 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -1.975 6.741 -9.943 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -3.707 6.688 -10.290 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -3.936 3.181 -10.010 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -4.812 4.681 -10.328 1.00 3.65 H new ATOM 583 N VAL A 37 3.386 3.640 -6.475 1.00 0.49 N ATOM 584 CA VAL A 37 4.406 2.757 -7.019 1.00 0.56 C ATOM 585 C VAL A 37 4.042 1.305 -6.735 1.00 0.53 C ATOM 586 O VAL A 37 3.669 0.952 -5.612 1.00 0.55 O ATOM 587 CB VAL A 37 5.807 3.074 -6.441 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.812 1.987 -6.792 1.00 1.04 C ATOM 589 CG2 VAL A 37 6.295 4.428 -6.939 1.00 1.26 C ATOM 0 H VAL A 37 3.215 3.519 -5.477 1.00 0.49 H new ATOM 0 HA VAL A 37 4.447 2.920 -8.096 1.00 0.56 H new ATOM 0 HB VAL A 37 5.718 3.109 -5.355 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.785 2.241 -6.371 1.00 1.04 H new ATOM 0 HG12 VAL A 37 6.476 1.035 -6.381 1.00 1.04 H new ATOM 0 HG13 VAL A 37 6.896 1.905 -7.876 1.00 1.04 H new ATOM 0 HG21 VAL A 37 7.281 4.635 -6.523 1.00 1.26 H new ATOM 0 HG22 VAL A 37 6.356 4.415 -8.027 1.00 1.26 H new ATOM 0 HG23 VAL A 37 5.598 5.204 -6.624 1.00 1.26 H new ATOM 599 N ASN A 38 4.106 0.480 -7.766 1.00 0.55 N ATOM 600 CA ASN A 38 3.764 -0.926 -7.652 1.00 0.56 C ATOM 601 C ASN A 38 5.032 -1.761 -7.613 1.00 0.49 C ATOM 602 O ASN A 38 5.793 -1.794 -8.581 1.00 0.57 O ATOM 603 CB ASN A 38 2.888 -1.359 -8.828 1.00 0.74 C ATOM 604 CG ASN A 38 1.948 -2.488 -8.459 1.00 0.81 C ATOM 605 OD1 ASN A 38 1.172 -2.379 -7.506 1.00 1.53 O ATOM 606 ND2 ASN A 38 2.003 -3.575 -9.207 1.00 1.00 N ATOM 0 H ASN A 38 4.395 0.765 -8.702 1.00 0.55 H new ATOM 0 HA ASN A 38 3.205 -1.078 -6.729 1.00 0.56 H new ATOM 0 HB2 ASN A 38 2.308 -0.506 -9.179 1.00 0.74 H new ATOM 0 HB3 ASN A 38 3.524 -1.674 -9.655 1.00 0.74 H new ATOM 0 HD21 ASN A 38 1.389 -4.364 -9.005 1.00 1.00 H new ATOM 0 HD22 ASN A 38 2.659 -3.625 -9.986 1.00 1.00 H new ATOM 613 N VAL A 39 5.304 -2.339 -6.455 1.00 0.41 N ATOM 614 CA VAL A 39 6.534 -3.078 -6.246 1.00 0.44 C ATOM 615 C VAL A 39 6.283 -4.578 -6.259 1.00 0.42 C ATOM 616 O VAL A 39 5.271 -5.053 -5.742 1.00 0.48 O ATOM 617 CB VAL A 39 7.203 -2.696 -4.908 1.00 0.61 C ATOM 618 CG1 VAL A 39 8.665 -3.118 -4.908 1.00 1.24 C ATOM 619 CG2 VAL A 39 7.071 -1.202 -4.646 1.00 0.63 C ATOM 0 H VAL A 39 4.686 -2.309 -5.644 1.00 0.41 H new ATOM 0 HA VAL A 39 7.201 -2.814 -7.067 1.00 0.44 H new ATOM 0 HB VAL A 39 6.692 -3.225 -4.103 1.00 0.61 H new ATOM 0 HG11 VAL A 39 9.123 -2.842 -3.958 1.00 1.24 H new ATOM 0 HG12 VAL A 39 8.732 -4.197 -5.043 1.00 1.24 H new ATOM 0 HG13 VAL A 39 9.188 -2.617 -5.722 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.549 -0.955 -3.698 1.00 0.63 H new ATOM 0 HG22 VAL A 39 7.553 -0.647 -5.451 1.00 0.63 H new ATOM 0 HG23 VAL A 39 6.016 -0.932 -4.601 1.00 0.63 H new ATOM 629 N ASN A 40 7.257 -5.317 -6.772 1.00 0.46 N ATOM 630 CA ASN A 40 7.210 -6.768 -6.765 1.00 0.51 C ATOM 631 C ASN A 40 8.159 -7.292 -5.697 1.00 0.44 C ATOM 632 O ASN A 40 9.379 -7.156 -5.812 1.00 0.56 O ATOM 633 CB ASN A 40 7.595 -7.329 -8.136 1.00 0.67 C ATOM 634 CG ASN A 40 6.418 -7.966 -8.850 1.00 1.45 C ATOM 635 OD1 ASN A 40 5.831 -8.931 -8.365 1.00 2.02 O ATOM 636 ND2 ASN A 40 6.073 -7.436 -10.013 1.00 2.13 N ATOM 0 H ASN A 40 8.096 -4.928 -7.202 1.00 0.46 H new ATOM 0 HA ASN A 40 6.193 -7.091 -6.542 1.00 0.51 H new ATOM 0 HB2 ASN A 40 8.000 -6.527 -8.753 1.00 0.67 H new ATOM 0 HB3 ASN A 40 8.386 -8.069 -8.014 1.00 0.67 H new ATOM 0 HD21 ASN A 40 5.294 -7.829 -10.541 1.00 2.13 H new ATOM 0 HD22 ASN A 40 6.586 -6.635 -10.381 1.00 2.13 H new ATOM 643 N PHE A 41 7.595 -7.823 -4.629 1.00 0.40 N ATOM 644 CA PHE A 41 8.385 -8.289 -3.502 1.00 0.45 C ATOM 645 C PHE A 41 8.490 -9.800 -3.519 1.00 0.45 C ATOM 646 O PHE A 41 7.492 -10.495 -3.653 1.00 0.56 O ATOM 647 CB PHE A 41 7.751 -7.837 -2.183 1.00 0.62 C ATOM 648 CG PHE A 41 8.111 -6.435 -1.778 1.00 0.54 C ATOM 649 CD1 PHE A 41 9.351 -5.910 -2.099 1.00 0.98 C ATOM 650 CD2 PHE A 41 7.212 -5.643 -1.084 1.00 1.14 C ATOM 651 CE1 PHE A 41 9.691 -4.623 -1.736 1.00 1.10 C ATOM 652 CE2 PHE A 41 7.545 -4.353 -0.717 1.00 1.16 C ATOM 653 CZ PHE A 41 8.765 -3.846 -1.016 1.00 0.75 C ATOM 0 H PHE A 41 6.588 -7.943 -4.517 1.00 0.40 H new ATOM 0 HA PHE A 41 9.384 -7.860 -3.586 1.00 0.45 H new ATOM 0 HB2 PHE A 41 6.667 -7.912 -2.269 1.00 0.62 H new ATOM 0 HB3 PHE A 41 8.056 -8.522 -1.392 1.00 0.62 H new ATOM 0 HD1 PHE A 41 10.062 -6.516 -2.641 1.00 0.98 H new ATOM 0 HD2 PHE A 41 6.240 -6.038 -0.827 1.00 1.14 H new ATOM 0 HE1 PHE A 41 10.656 -4.217 -2.001 1.00 1.10 H new ATOM 0 HE2 PHE A 41 6.827 -3.744 -0.188 1.00 1.16 H new ATOM 0 HZ PHE A 41 9.027 -2.846 -0.702 1.00 0.75 H new ATOM 663 N ASP A 42 9.705 -10.300 -3.382 1.00 0.45 N ATOM 664 CA ASP A 42 9.946 -11.736 -3.361 1.00 0.47 C ATOM 665 C ASP A 42 9.286 -12.363 -2.134 1.00 0.40 C ATOM 666 O ASP A 42 9.088 -11.691 -1.124 1.00 0.35 O ATOM 667 CB ASP A 42 11.454 -11.996 -3.375 1.00 0.62 C ATOM 668 CG ASP A 42 11.882 -13.111 -2.446 1.00 0.70 C ATOM 669 OD1 ASP A 42 11.745 -14.285 -2.831 1.00 1.35 O ATOM 670 OD2 ASP A 42 12.338 -12.814 -1.320 1.00 1.38 O ATOM 0 H ASP A 42 10.546 -9.731 -3.283 1.00 0.45 H new ATOM 0 HA ASP A 42 9.506 -12.196 -4.245 1.00 0.47 H new ATOM 0 HB2 ASP A 42 11.763 -12.241 -4.391 1.00 0.62 H new ATOM 0 HB3 ASP A 42 11.975 -11.080 -3.096 1.00 0.62 H new ATOM 675 N GLU A 43 8.824 -13.600 -2.283 1.00 0.46 N ATOM 676 CA GLU A 43 8.062 -14.281 -1.234 1.00 0.48 C ATOM 677 C GLU A 43 8.831 -14.344 0.082 1.00 0.40 C ATOM 678 O GLU A 43 8.255 -14.125 1.149 1.00 0.42 O ATOM 679 CB GLU A 43 7.688 -15.691 -1.681 1.00 0.65 C ATOM 680 CG GLU A 43 6.221 -15.840 -2.046 1.00 1.08 C ATOM 681 CD GLU A 43 5.319 -15.897 -0.833 1.00 1.04 C ATOM 682 OE1 GLU A 43 5.361 -16.908 -0.106 1.00 1.45 O ATOM 683 OE2 GLU A 43 4.573 -14.924 -0.590 1.00 1.28 O ATOM 0 H GLU A 43 8.964 -14.158 -3.126 1.00 0.46 H new ATOM 0 HA GLU A 43 7.156 -13.699 -1.064 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.298 -15.965 -2.542 1.00 0.65 H new ATOM 0 HB3 GLU A 43 7.929 -16.393 -0.883 1.00 0.65 H new ATOM 0 HG2 GLU A 43 5.921 -15.003 -2.677 1.00 1.08 H new ATOM 0 HG3 GLU A 43 6.088 -16.747 -2.635 1.00 1.08 H new ATOM 690 N GLU A 44 10.134 -14.576 -0.001 1.00 0.38 N ATOM 691 CA GLU A 44 10.986 -14.595 1.184 1.00 0.42 C ATOM 692 C GLU A 44 10.963 -13.236 1.862 1.00 0.37 C ATOM 693 O GLU A 44 10.620 -13.116 3.042 1.00 0.43 O ATOM 694 CB GLU A 44 12.423 -14.945 0.797 1.00 0.52 C ATOM 695 CG GLU A 44 13.098 -15.939 1.728 1.00 0.60 C ATOM 696 CD GLU A 44 12.121 -16.887 2.394 1.00 1.56 C ATOM 697 OE1 GLU A 44 11.590 -17.786 1.710 1.00 2.34 O ATOM 698 OE2 GLU A 44 11.883 -16.735 3.608 1.00 2.19 O ATOM 0 H GLU A 44 10.626 -14.754 -0.877 1.00 0.38 H new ATOM 0 HA GLU A 44 10.607 -15.350 1.872 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.425 -15.353 -0.214 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.014 -14.029 0.773 1.00 0.52 H new ATOM 0 HG2 GLU A 44 13.829 -16.518 1.164 1.00 0.60 H new ATOM 0 HG3 GLU A 44 13.647 -15.394 2.496 1.00 0.60 H new ATOM 705 N LYS A 45 11.283 -12.211 1.084 1.00 0.32 N ATOM 706 CA LYS A 45 11.282 -10.843 1.563 1.00 0.35 C ATOM 707 C LYS A 45 9.917 -10.457 2.118 1.00 0.30 C ATOM 708 O LYS A 45 9.822 -9.784 3.137 1.00 0.35 O ATOM 709 CB LYS A 45 11.651 -9.883 0.431 1.00 0.39 C ATOM 710 CG LYS A 45 13.131 -9.855 0.096 1.00 0.56 C ATOM 711 CD LYS A 45 13.466 -8.674 -0.802 1.00 0.68 C ATOM 712 CE LYS A 45 14.883 -8.180 -0.569 1.00 1.04 C ATOM 713 NZ LYS A 45 15.540 -7.764 -1.835 1.00 1.09 N ATOM 0 H LYS A 45 11.550 -12.308 0.104 1.00 0.32 H new ATOM 0 HA LYS A 45 12.021 -10.772 2.361 1.00 0.35 H new ATOM 0 HB2 LYS A 45 11.093 -10.162 -0.463 1.00 0.39 H new ATOM 0 HB3 LYS A 45 11.333 -8.877 0.705 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.714 -9.794 1.015 1.00 0.56 H new ATOM 0 HG3 LYS A 45 13.413 -10.784 -0.399 1.00 0.56 H new ATOM 0 HD2 LYS A 45 13.348 -8.965 -1.846 1.00 0.68 H new ATOM 0 HD3 LYS A 45 12.762 -7.863 -0.616 1.00 0.68 H new ATOM 0 HE2 LYS A 45 14.865 -7.339 0.124 1.00 1.04 H new ATOM 0 HE3 LYS A 45 15.470 -8.969 -0.098 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 16.361 -7.163 -1.619 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 15.856 -8.607 -2.356 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 14.864 -7.230 -2.418 1.00 1.09 H new ATOM 727 N HIS A 46 8.866 -10.847 1.416 1.00 0.28 N ATOM 728 CA HIS A 46 7.514 -10.460 1.795 1.00 0.31 C ATOM 729 C HIS A 46 7.065 -11.159 3.077 1.00 0.32 C ATOM 730 O HIS A 46 6.362 -10.566 3.896 1.00 0.34 O ATOM 731 CB HIS A 46 6.529 -10.748 0.662 1.00 0.38 C ATOM 732 CG HIS A 46 5.242 -9.985 0.776 1.00 0.43 C ATOM 733 ND1 HIS A 46 4.037 -10.589 1.046 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.978 -8.660 0.651 1.00 0.47 C ATOM 735 CE1 HIS A 46 3.084 -9.676 1.083 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.628 -8.500 0.848 1.00 0.58 N ATOM 0 H HIS A 46 8.921 -11.431 0.581 1.00 0.28 H new ATOM 0 HA HIS A 46 7.526 -9.387 1.986 1.00 0.31 H new ATOM 0 HB2 HIS A 46 7.002 -10.506 -0.290 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.309 -11.815 0.646 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.693 -7.880 0.437 1.00 0.47 H new ATOM 0 HE1 HIS A 46 2.037 -9.862 1.273 1.00 0.64 H new ATOM 0 HE2 HIS A 46 3.127 -7.612 0.817 1.00 0.58 H new ATOM 745 N THR A 47 7.512 -12.391 3.279 1.00 0.33 N ATOM 746 CA THR A 47 7.185 -13.115 4.500 1.00 0.40 C ATOM 747 C THR A 47 7.908 -12.493 5.693 1.00 0.39 C ATOM 748 O THR A 47 7.294 -12.241 6.735 1.00 0.43 O ATOM 749 CB THR A 47 7.532 -14.612 4.391 1.00 0.47 C ATOM 750 OG1 THR A 47 6.953 -15.161 3.197 1.00 0.72 O ATOM 751 CG2 THR A 47 7.013 -15.375 5.600 1.00 0.60 C ATOM 0 H THR A 47 8.096 -12.906 2.620 1.00 0.33 H new ATOM 0 HA THR A 47 6.108 -13.036 4.649 1.00 0.40 H new ATOM 0 HB THR A 47 8.617 -14.710 4.353 1.00 0.47 H new ATOM 0 HG1 THR A 47 7.391 -14.771 2.412 1.00 0.72 H new ATOM 0 HG21 THR A 47 7.269 -16.430 5.502 1.00 0.60 H new ATOM 0 HG22 THR A 47 7.467 -14.974 6.506 1.00 0.60 H new ATOM 0 HG23 THR A 47 5.930 -15.269 5.660 1.00 0.60 H new ATOM 759 N ARG A 48 9.163 -12.104 5.481 1.00 0.35 N ATOM 760 CA ARG A 48 9.911 -11.375 6.494 1.00 0.38 C ATOM 761 C ARG A 48 9.284 -10.007 6.709 1.00 0.34 C ATOM 762 O ARG A 48 9.202 -9.526 7.833 1.00 0.38 O ATOM 763 CB ARG A 48 11.377 -11.212 6.089 1.00 0.42 C ATOM 764 CG ARG A 48 12.155 -10.247 6.975 1.00 0.73 C ATOM 765 CD ARG A 48 13.140 -10.981 7.863 1.00 0.80 C ATOM 766 NE ARG A 48 14.404 -11.242 7.184 1.00 0.90 N ATOM 767 CZ ARG A 48 14.955 -12.453 7.085 1.00 1.43 C ATOM 768 NH1 ARG A 48 14.317 -13.518 7.556 1.00 1.83 N ATOM 769 NH2 ARG A 48 16.133 -12.605 6.499 1.00 1.87 N ATOM 0 H ARG A 48 9.679 -12.282 4.619 1.00 0.35 H new ATOM 0 HA ARG A 48 9.875 -11.947 7.421 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.863 -12.188 6.116 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.423 -10.862 5.058 1.00 0.42 H new ATOM 0 HG2 ARG A 48 12.689 -9.530 6.352 1.00 0.73 H new ATOM 0 HG3 ARG A 48 11.460 -9.678 7.593 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.327 -10.392 8.761 1.00 0.80 H new ATOM 0 HD3 ARG A 48 12.702 -11.925 8.187 1.00 0.80 H new ATOM 0 HE ARG A 48 14.895 -10.454 6.761 1.00 0.90 H new ATOM 0 HH11 ARG A 48 13.403 -13.412 7.995 1.00 1.83 H new ATOM 0 HH12 ARG A 48 14.741 -14.442 7.479 1.00 1.83 H new ATOM 0 HH21 ARG A 48 16.623 -11.794 6.121 1.00 1.87 H new ATOM 0 HH22 ARG A 48 16.550 -13.533 6.426 1.00 1.87 H new ATOM 783 N PHE A 49 8.850 -9.397 5.614 1.00 0.32 N ATOM 784 CA PHE A 49 8.218 -8.084 5.645 1.00 0.32 C ATOM 785 C PHE A 49 7.074 -8.055 6.648 1.00 0.36 C ATOM 786 O PHE A 49 7.069 -7.233 7.563 1.00 0.39 O ATOM 787 CB PHE A 49 7.691 -7.727 4.252 1.00 0.33 C ATOM 788 CG PHE A 49 7.894 -6.291 3.865 1.00 0.39 C ATOM 789 CD1 PHE A 49 9.117 -5.672 4.054 1.00 0.85 C ATOM 790 CD2 PHE A 49 6.859 -5.565 3.301 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.304 -4.355 3.688 1.00 0.94 C ATOM 792 CE2 PHE A 49 7.038 -4.248 2.934 1.00 0.92 C ATOM 793 CZ PHE A 49 8.264 -3.640 3.126 1.00 0.67 C ATOM 0 H PHE A 49 8.926 -9.798 4.679 1.00 0.32 H new ATOM 0 HA PHE A 49 8.965 -7.352 5.952 1.00 0.32 H new ATOM 0 HB2 PHE A 49 8.183 -8.363 3.516 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.626 -7.956 4.209 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.934 -6.226 4.493 1.00 0.85 H new ATOM 0 HD2 PHE A 49 5.899 -6.036 3.147 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.263 -3.883 3.841 1.00 0.94 H new ATOM 0 HE2 PHE A 49 6.221 -3.692 2.497 1.00 0.92 H new ATOM 0 HZ PHE A 49 8.409 -2.609 2.838 1.00 0.67 H new ATOM 803 N LYS A 50 6.131 -8.978 6.492 1.00 0.39 N ATOM 804 CA LYS A 50 4.982 -9.067 7.388 1.00 0.45 C ATOM 805 C LYS A 50 5.425 -9.316 8.827 1.00 0.42 C ATOM 806 O LYS A 50 4.962 -8.647 9.752 1.00 0.42 O ATOM 807 CB LYS A 50 4.039 -10.188 6.942 1.00 0.54 C ATOM 808 CG LYS A 50 3.487 -10.005 5.539 1.00 0.93 C ATOM 809 CD LYS A 50 3.228 -11.344 4.868 1.00 1.47 C ATOM 810 CE LYS A 50 1.985 -12.024 5.422 1.00 1.37 C ATOM 811 NZ LYS A 50 2.262 -13.417 5.860 1.00 2.17 N ATOM 0 H LYS A 50 6.140 -9.678 5.750 1.00 0.39 H new ATOM 0 HA LYS A 50 4.455 -8.114 7.345 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.571 -11.138 6.992 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.207 -10.251 7.644 1.00 0.54 H new ATOM 0 HG2 LYS A 50 2.561 -9.432 5.582 1.00 0.93 H new ATOM 0 HG3 LYS A 50 4.192 -9.427 4.941 1.00 0.93 H new ATOM 0 HD2 LYS A 50 3.113 -11.196 3.794 1.00 1.47 H new ATOM 0 HD3 LYS A 50 4.091 -11.994 5.009 1.00 1.47 H new ATOM 0 HE2 LYS A 50 1.602 -11.448 6.264 1.00 1.37 H new ATOM 0 HE3 LYS A 50 1.206 -12.032 4.660 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 1.389 -13.844 6.231 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 2.604 -13.974 5.051 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 2.987 -13.409 6.605 1.00 2.17 H new ATOM 825 N ALA A 51 6.301 -10.295 9.007 1.00 0.43 N ATOM 826 CA ALA A 51 6.764 -10.674 10.334 1.00 0.46 C ATOM 827 C ALA A 51 7.523 -9.537 11.015 1.00 0.44 C ATOM 828 O ALA A 51 7.199 -9.151 12.141 1.00 0.47 O ATOM 829 CB ALA A 51 7.636 -11.916 10.248 1.00 0.53 C ATOM 0 H ALA A 51 6.706 -10.842 8.248 1.00 0.43 H new ATOM 0 HA ALA A 51 5.887 -10.893 10.943 1.00 0.46 H new ATOM 0 HB1 ALA A 51 7.977 -12.191 11.246 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.059 -12.737 9.823 1.00 0.53 H new ATOM 0 HB3 ALA A 51 8.498 -11.712 9.613 1.00 0.53 H new ATOM 835 N ALA A 52 8.558 -9.040 10.349 1.00 0.46 N ATOM 836 CA ALA A 52 9.425 -8.014 10.912 1.00 0.53 C ATOM 837 C ALA A 52 8.658 -6.741 11.255 1.00 0.53 C ATOM 838 O ALA A 52 8.802 -6.211 12.354 1.00 0.65 O ATOM 839 CB ALA A 52 10.562 -7.705 9.955 1.00 0.58 C ATOM 0 H ALA A 52 8.819 -9.335 9.408 1.00 0.46 H new ATOM 0 HA ALA A 52 9.835 -8.406 11.843 1.00 0.53 H new ATOM 0 HB1 ALA A 52 11.203 -6.937 10.387 1.00 0.58 H new ATOM 0 HB2 ALA A 52 11.146 -8.609 9.780 1.00 0.58 H new ATOM 0 HB3 ALA A 52 10.155 -7.348 9.009 1.00 0.58 H new ATOM 845 N CYS A 53 7.857 -6.240 10.317 1.00 0.48 N ATOM 846 CA CYS A 53 7.124 -5.001 10.542 1.00 0.56 C ATOM 847 C CYS A 53 6.120 -5.148 11.680 1.00 0.49 C ATOM 848 O CYS A 53 5.940 -4.222 12.469 1.00 0.53 O ATOM 849 CB CYS A 53 6.418 -4.540 9.268 1.00 0.68 C ATOM 850 SG CYS A 53 5.063 -5.602 8.725 1.00 1.29 S ATOM 0 H CYS A 53 7.701 -6.669 9.405 1.00 0.48 H new ATOM 0 HA CYS A 53 7.852 -4.241 10.827 1.00 0.56 H new ATOM 0 HB2 CYS A 53 6.030 -3.534 9.428 1.00 0.68 H new ATOM 0 HB3 CYS A 53 7.153 -4.474 8.466 1.00 0.68 H new ATOM 0 HG CYS A 53 5.539 -6.591 8.028 1.00 1.29 H new ATOM 856 N ALA A 54 5.520 -6.331 11.806 1.00 0.45 N ATOM 857 CA ALA A 54 4.581 -6.596 12.890 1.00 0.52 C ATOM 858 C ALA A 54 5.301 -6.608 14.233 1.00 0.53 C ATOM 859 O ALA A 54 4.742 -6.209 15.254 1.00 0.63 O ATOM 860 CB ALA A 54 3.864 -7.917 12.660 1.00 0.63 C ATOM 0 H ALA A 54 5.668 -7.117 11.173 1.00 0.45 H new ATOM 0 HA ALA A 54 3.840 -5.797 12.905 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.167 -8.100 13.478 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.316 -7.874 11.719 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.594 -8.725 12.618 1.00 0.63 H new ATOM 866 N ARG A 55 6.563 -7.019 14.209 1.00 0.53 N ATOM 867 CA ARG A 55 7.384 -7.050 15.413 1.00 0.66 C ATOM 868 C ARG A 55 7.711 -5.633 15.882 1.00 0.65 C ATOM 869 O ARG A 55 7.682 -5.342 17.078 1.00 0.75 O ATOM 870 CB ARG A 55 8.678 -7.829 15.159 1.00 0.77 C ATOM 871 CG ARG A 55 8.548 -9.326 15.390 1.00 1.38 C ATOM 872 CD ARG A 55 9.251 -10.125 14.304 1.00 1.87 C ATOM 873 NE ARG A 55 10.687 -10.254 14.546 1.00 2.37 N ATOM 874 CZ ARG A 55 11.254 -11.324 15.103 1.00 2.79 C ATOM 875 NH1 ARG A 55 10.508 -12.363 15.458 1.00 2.91 N ATOM 876 NH2 ARG A 55 12.569 -11.358 15.295 1.00 3.58 N ATOM 0 H ARG A 55 7.041 -7.336 13.366 1.00 0.53 H new ATOM 0 HA ARG A 55 6.817 -7.553 16.196 1.00 0.66 H new ATOM 0 HB2 ARG A 55 9.000 -7.656 14.132 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.461 -7.437 15.809 1.00 0.77 H new ATOM 0 HG2 ARG A 55 8.970 -9.582 16.362 1.00 1.38 H new ATOM 0 HG3 ARG A 55 7.493 -9.600 15.418 1.00 1.38 H new ATOM 0 HD2 ARG A 55 8.806 -11.118 14.242 1.00 1.87 H new ATOM 0 HD3 ARG A 55 9.090 -9.642 13.340 1.00 1.87 H new ATOM 0 HE ARG A 55 11.291 -9.479 14.272 1.00 2.37 H new ATOM 0 HH11 ARG A 55 9.500 -12.343 15.305 1.00 2.91 H new ATOM 0 HH12 ARG A 55 10.943 -13.181 15.884 1.00 2.91 H new ATOM 0 HH21 ARG A 55 13.146 -10.564 15.016 1.00 3.58 H new ATOM 0 HH22 ARG A 55 13.001 -12.178 15.721 1.00 3.58 H new ATOM 890 N LYS A 56 8.058 -4.762 14.938 1.00 0.59 N ATOM 891 CA LYS A 56 8.431 -3.388 15.268 1.00 0.64 C ATOM 892 C LYS A 56 7.199 -2.522 15.522 1.00 0.54 C ATOM 893 O LYS A 56 7.200 -1.676 16.420 1.00 0.67 O ATOM 894 CB LYS A 56 9.275 -2.766 14.146 1.00 0.71 C ATOM 895 CG LYS A 56 10.211 -3.747 13.459 1.00 1.15 C ATOM 896 CD LYS A 56 11.445 -4.037 14.296 1.00 1.46 C ATOM 897 CE LYS A 56 11.654 -5.534 14.481 1.00 2.01 C ATOM 898 NZ LYS A 56 12.846 -6.029 13.738 1.00 2.32 N ATOM 0 H LYS A 56 8.089 -4.981 13.942 1.00 0.59 H new ATOM 0 HA LYS A 56 9.024 -3.425 16.182 1.00 0.64 H new ATOM 0 HB2 LYS A 56 8.608 -2.334 13.400 1.00 0.71 H new ATOM 0 HB3 LYS A 56 9.864 -1.947 14.560 1.00 0.71 H new ATOM 0 HG2 LYS A 56 9.679 -4.678 13.262 1.00 1.15 H new ATOM 0 HG3 LYS A 56 10.515 -3.343 12.493 1.00 1.15 H new ATOM 0 HD2 LYS A 56 12.322 -3.603 13.816 1.00 1.46 H new ATOM 0 HD3 LYS A 56 11.346 -3.559 15.271 1.00 1.46 H new ATOM 0 HE2 LYS A 56 11.771 -5.755 15.542 1.00 2.01 H new ATOM 0 HE3 LYS A 56 10.767 -6.068 14.140 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 12.931 -7.058 13.864 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 12.739 -5.812 12.727 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 13.701 -5.563 14.104 1.00 2.32 H new ATOM 912 N GLY A 57 6.160 -2.721 14.719 1.00 0.48 N ATOM 913 CA GLY A 57 4.951 -1.924 14.849 1.00 0.47 C ATOM 914 C GLY A 57 4.717 -1.039 13.637 1.00 0.51 C ATOM 915 O GLY A 57 4.086 0.015 13.734 1.00 0.58 O ATOM 0 H GLY A 57 6.132 -3.421 13.978 1.00 0.48 H new ATOM 0 HA2 GLY A 57 4.095 -2.585 14.986 1.00 0.47 H new ATOM 0 HA3 GLY A 57 5.021 -1.303 15.742 1.00 0.47 H new ATOM 919 N THR A 58 5.224 -1.473 12.496 1.00 0.59 N ATOM 920 CA THR A 58 5.094 -0.726 11.256 1.00 0.73 C ATOM 921 C THR A 58 4.072 -1.389 10.332 1.00 0.56 C ATOM 922 O THR A 58 4.069 -2.610 10.180 1.00 0.53 O ATOM 923 CB THR A 58 6.459 -0.638 10.543 1.00 1.06 C ATOM 924 OG1 THR A 58 7.475 -0.257 11.483 1.00 2.01 O ATOM 925 CG2 THR A 58 6.426 0.361 9.402 1.00 0.61 C ATOM 0 H THR A 58 5.736 -2.350 12.403 1.00 0.59 H new ATOM 0 HA THR A 58 4.749 0.279 11.497 1.00 0.73 H new ATOM 0 HB THR A 58 6.685 -1.621 10.129 1.00 1.06 H new ATOM 0 HG1 THR A 58 8.340 -0.204 11.026 1.00 2.01 H new ATOM 0 HG21 THR A 58 7.404 0.397 8.922 1.00 0.61 H new ATOM 0 HG22 THR A 58 5.675 0.056 8.673 1.00 0.61 H new ATOM 0 HG23 THR A 58 6.175 1.348 9.790 1.00 0.61 H new ATOM 933 N SER A 59 3.204 -0.584 9.725 1.00 0.55 N ATOM 934 CA SER A 59 2.206 -1.092 8.789 1.00 0.50 C ATOM 935 C SER A 59 2.879 -1.498 7.481 1.00 0.44 C ATOM 936 O SER A 59 3.837 -0.861 7.061 1.00 0.43 O ATOM 937 CB SER A 59 1.136 -0.031 8.541 1.00 0.61 C ATOM 938 OG SER A 59 1.157 0.962 9.558 1.00 0.72 O ATOM 0 H SER A 59 3.172 0.426 9.865 1.00 0.55 H new ATOM 0 HA SER A 59 1.726 -1.972 9.217 1.00 0.50 H new ATOM 0 HB2 SER A 59 1.300 0.435 7.569 1.00 0.61 H new ATOM 0 HB3 SER A 59 0.153 -0.501 8.508 1.00 0.61 H new ATOM 0 HG SER A 59 0.464 1.631 9.376 1.00 0.72 H new ATOM 944 N ILE A 60 2.464 -2.639 6.929 1.00 0.46 N ATOM 945 CA ILE A 60 3.133 -3.258 5.779 1.00 0.50 C ATOM 946 C ILE A 60 3.449 -2.261 4.655 1.00 0.47 C ATOM 947 O ILE A 60 4.563 -2.248 4.129 1.00 0.50 O ATOM 948 CB ILE A 60 2.306 -4.443 5.224 1.00 0.61 C ATOM 949 CG1 ILE A 60 3.063 -5.138 4.090 1.00 0.99 C ATOM 950 CG2 ILE A 60 0.932 -3.986 4.751 1.00 1.01 C ATOM 951 CD1 ILE A 60 3.589 -6.505 4.464 1.00 0.96 C ATOM 0 H ILE A 60 1.655 -3.162 7.265 1.00 0.46 H new ATOM 0 HA ILE A 60 4.087 -3.630 6.152 1.00 0.50 H new ATOM 0 HB ILE A 60 2.158 -5.157 6.034 1.00 0.61 H new ATOM 0 HG12 ILE A 60 2.402 -5.235 3.229 1.00 0.99 H new ATOM 0 HG13 ILE A 60 3.898 -4.508 3.782 1.00 0.99 H new ATOM 0 HG21 ILE A 60 0.376 -4.841 4.367 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.388 -3.545 5.586 1.00 1.01 H new ATOM 0 HG23 ILE A 60 1.047 -3.244 3.961 1.00 1.01 H new ATOM 0 HD11 ILE A 60 4.114 -6.938 3.613 1.00 0.96 H new ATOM 0 HD12 ILE A 60 4.276 -6.413 5.305 1.00 0.96 H new ATOM 0 HD13 ILE A 60 2.757 -7.151 4.744 1.00 0.96 H new ATOM 963 N THR A 61 2.493 -1.417 4.309 1.00 0.45 N ATOM 964 CA THR A 61 2.695 -0.443 3.253 1.00 0.45 C ATOM 965 C THR A 61 3.602 0.694 3.725 1.00 0.42 C ATOM 966 O THR A 61 4.436 1.214 2.972 1.00 0.41 O ATOM 967 CB THR A 61 1.346 0.118 2.765 1.00 0.51 C ATOM 968 OG1 THR A 61 0.275 -0.740 3.198 1.00 0.68 O ATOM 969 CG2 THR A 61 1.323 0.229 1.248 1.00 0.77 C ATOM 0 H THR A 61 1.571 -1.387 4.744 1.00 0.45 H new ATOM 0 HA THR A 61 3.183 -0.948 2.420 1.00 0.45 H new ATOM 0 HB THR A 61 1.216 1.113 3.190 1.00 0.51 H new ATOM 0 HG1 THR A 61 -0.581 -0.378 2.887 1.00 0.68 H new ATOM 0 HG21 THR A 61 0.361 0.627 0.927 1.00 0.77 H new ATOM 0 HG22 THR A 61 2.120 0.897 0.920 1.00 0.77 H new ATOM 0 HG23 THR A 61 1.472 -0.757 0.809 1.00 0.77 H new ATOM 977 N ASP A 62 3.487 1.025 5.004 1.00 0.42 N ATOM 978 CA ASP A 62 4.310 2.065 5.608 1.00 0.42 C ATOM 979 C ASP A 62 5.774 1.639 5.675 1.00 0.36 C ATOM 980 O ASP A 62 6.670 2.476 5.578 1.00 0.35 O ATOM 981 CB ASP A 62 3.803 2.402 7.007 1.00 0.47 C ATOM 982 CG ASP A 62 4.306 3.739 7.499 1.00 0.61 C ATOM 983 OD1 ASP A 62 4.402 4.683 6.688 1.00 0.92 O ATOM 984 OD2 ASP A 62 4.596 3.858 8.708 1.00 1.06 O ATOM 0 H ASP A 62 2.828 0.586 5.647 1.00 0.42 H new ATOM 0 HA ASP A 62 4.238 2.953 4.980 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.713 2.407 7.003 1.00 0.47 H new ATOM 0 HB3 ASP A 62 4.116 1.622 7.701 1.00 0.47 H new ATOM 989 N VAL A 63 6.018 0.330 5.770 1.00 0.34 N ATOM 990 CA VAL A 63 7.383 -0.186 5.759 1.00 0.32 C ATOM 991 C VAL A 63 8.054 0.166 4.448 1.00 0.31 C ATOM 992 O VAL A 63 9.168 0.677 4.439 1.00 0.35 O ATOM 993 CB VAL A 63 7.472 -1.714 5.941 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.850 -2.104 6.446 1.00 0.68 C ATOM 995 CG2 VAL A 63 6.407 -2.223 6.887 1.00 0.66 C ATOM 0 H VAL A 63 5.294 -0.384 5.855 1.00 0.34 H new ATOM 0 HA VAL A 63 7.882 0.279 6.609 1.00 0.32 H new ATOM 0 HB VAL A 63 7.303 -2.175 4.968 1.00 0.36 H new ATOM 0 HG11 VAL A 63 8.899 -3.186 6.570 1.00 0.68 H new ATOM 0 HG12 VAL A 63 9.605 -1.787 5.726 1.00 0.68 H new ATOM 0 HG13 VAL A 63 9.037 -1.620 7.405 1.00 0.68 H new ATOM 0 HG21 VAL A 63 6.500 -3.304 6.992 1.00 0.66 H new ATOM 0 HG22 VAL A 63 6.531 -1.752 7.862 1.00 0.66 H new ATOM 0 HG23 VAL A 63 5.421 -1.980 6.490 1.00 0.66 H new ATOM 1005 N VAL A 64 7.339 -0.048 3.347 1.00 0.29 N ATOM 1006 CA VAL A 64 7.853 0.290 2.026 1.00 0.29 C ATOM 1007 C VAL A 64 8.204 1.766 1.961 1.00 0.31 C ATOM 1008 O VAL A 64 9.285 2.137 1.505 1.00 0.34 O ATOM 1009 CB VAL A 64 6.849 -0.030 0.899 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.584 -0.233 -0.417 1.00 0.33 C ATOM 1011 CG2 VAL A 64 6.011 -1.255 1.239 1.00 0.38 C ATOM 0 H VAL A 64 6.403 -0.454 3.345 1.00 0.29 H new ATOM 0 HA VAL A 64 8.741 -0.323 1.873 1.00 0.29 H new ATOM 0 HB VAL A 64 6.172 0.818 0.796 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.865 -0.458 -1.204 1.00 0.33 H new ATOM 0 HG12 VAL A 64 8.130 0.675 -0.673 1.00 0.33 H new ATOM 0 HG13 VAL A 64 8.285 -1.062 -0.318 1.00 0.33 H new ATOM 0 HG21 VAL A 64 5.313 -1.455 0.426 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.665 -2.116 1.377 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.454 -1.071 2.158 1.00 0.38 H new ATOM 1021 N ASN A 65 7.323 2.592 2.509 1.00 0.32 N ATOM 1022 CA ASN A 65 7.565 4.029 2.576 1.00 0.35 C ATOM 1023 C ASN A 65 8.793 4.337 3.434 1.00 0.38 C ATOM 1024 O ASN A 65 9.532 5.277 3.153 1.00 0.40 O ATOM 1025 CB ASN A 65 6.341 4.756 3.136 1.00 0.40 C ATOM 1026 CG ASN A 65 5.938 5.951 2.295 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.739 6.854 2.051 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.693 5.965 1.842 1.00 0.48 N ATOM 0 H ASN A 65 6.435 2.293 2.913 1.00 0.32 H new ATOM 0 HA ASN A 65 7.753 4.384 1.563 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.505 4.059 3.195 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.553 5.087 4.153 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.368 6.743 1.269 1.00 0.48 H new ATOM 0 HD22 ASN A 65 4.060 5.197 2.066 1.00 0.48 H new ATOM 1035 N GLN A 66 9.023 3.513 4.454 1.00 0.39 N ATOM 1036 CA GLN A 66 10.164 3.681 5.352 1.00 0.42 C ATOM 1037 C GLN A 66 11.482 3.342 4.659 1.00 0.40 C ATOM 1038 O GLN A 66 12.458 4.082 4.791 1.00 0.44 O ATOM 1039 CB GLN A 66 10.000 2.807 6.591 1.00 0.44 C ATOM 1040 CG GLN A 66 10.315 3.532 7.886 1.00 0.87 C ATOM 1041 CD GLN A 66 9.093 4.196 8.490 1.00 1.45 C ATOM 1042 OE1 GLN A 66 8.645 5.242 8.020 1.00 2.20 O ATOM 1043 NE2 GLN A 66 8.544 3.594 9.530 1.00 1.61 N ATOM 0 H GLN A 66 8.429 2.716 4.681 1.00 0.39 H new ATOM 0 HA GLN A 66 10.193 4.730 5.647 1.00 0.42 H new ATOM 0 HB2 GLN A 66 8.976 2.435 6.631 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.652 1.938 6.502 1.00 0.44 H new ATOM 0 HG2 GLN A 66 10.732 2.825 8.603 1.00 0.87 H new ATOM 0 HG3 GLN A 66 11.080 4.286 7.700 1.00 0.87 H new ATOM 0 HE21 GLN A 66 8.946 2.728 9.889 1.00 1.61 H new ATOM 0 HE22 GLN A 66 7.718 3.995 9.974 1.00 1.61 H new ATOM 1052 N LEU A 67 11.519 2.230 3.925 1.00 0.36 N ATOM 1053 CA LEU A 67 12.743 1.849 3.220 1.00 0.35 C ATOM 1054 C LEU A 67 13.028 2.854 2.115 1.00 0.31 C ATOM 1055 O LEU A 67 14.165 3.296 1.947 1.00 0.32 O ATOM 1056 CB LEU A 67 12.673 0.432 2.628 1.00 0.38 C ATOM 1057 CG LEU A 67 11.364 -0.325 2.832 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.923 -0.975 1.531 1.00 1.04 C ATOM 1059 CD2 LEU A 67 11.521 -1.375 3.919 1.00 1.01 C ATOM 0 H LEU A 67 10.734 1.590 3.804 1.00 0.36 H new ATOM 0 HA LEU A 67 13.551 1.849 3.952 1.00 0.35 H new ATOM 0 HB2 LEU A 67 12.865 0.499 1.557 1.00 0.38 H new ATOM 0 HB3 LEU A 67 13.480 -0.159 3.060 1.00 0.38 H new ATOM 0 HG LEU A 67 10.599 0.385 3.145 1.00 0.63 H new ATOM 0 HD11 LEU A 67 9.988 -1.512 1.691 1.00 1.04 H new ATOM 0 HD12 LEU A 67 10.775 -0.207 0.772 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.689 -1.674 1.195 1.00 1.04 H new ATOM 0 HD21 LEU A 67 10.578 -1.905 4.051 1.00 1.01 H new ATOM 0 HD22 LEU A 67 12.298 -2.083 3.631 1.00 1.01 H new ATOM 0 HD23 LEU A 67 11.800 -0.891 4.855 1.00 1.01 H new ATOM 1071 N VAL A 68 11.969 3.274 1.426 1.00 0.29 N ATOM 1072 CA VAL A 68 12.080 4.302 0.397 1.00 0.28 C ATOM 1073 C VAL A 68 12.612 5.591 1.009 1.00 0.30 C ATOM 1074 O VAL A 68 13.532 6.205 0.477 1.00 0.32 O ATOM 1075 CB VAL A 68 10.717 4.575 -0.284 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.743 5.868 -1.085 1.00 0.81 C ATOM 1077 CG2 VAL A 68 10.325 3.413 -1.178 1.00 0.69 C ATOM 0 H VAL A 68 11.023 2.917 1.563 1.00 0.29 H new ATOM 0 HA VAL A 68 12.772 3.940 -0.363 1.00 0.28 H new ATOM 0 HB VAL A 68 9.971 4.682 0.504 1.00 0.28 H new ATOM 0 HG11 VAL A 68 9.770 6.028 -1.549 1.00 0.81 H new ATOM 0 HG12 VAL A 68 10.970 6.702 -0.422 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.508 5.801 -1.859 1.00 0.81 H new ATOM 0 HG21 VAL A 68 9.364 3.623 -1.648 1.00 0.69 H new ATOM 0 HG22 VAL A 68 11.083 3.275 -1.949 1.00 0.69 H new ATOM 0 HG23 VAL A 68 10.245 2.505 -0.580 1.00 0.69 H new ATOM 1087 N ASP A 69 12.083 5.931 2.175 1.00 0.33 N ATOM 1088 CA ASP A 69 12.535 7.100 2.920 1.00 0.39 C ATOM 1089 C ASP A 69 14.018 6.997 3.237 1.00 0.36 C ATOM 1090 O ASP A 69 14.785 7.916 2.971 1.00 0.37 O ATOM 1091 CB ASP A 69 11.749 7.229 4.228 1.00 0.50 C ATOM 1092 CG ASP A 69 10.939 8.504 4.307 1.00 0.74 C ATOM 1093 OD1 ASP A 69 11.444 9.567 3.906 1.00 1.11 O ATOM 1094 OD2 ASP A 69 9.777 8.449 4.762 1.00 1.33 O ATOM 0 H ASP A 69 11.334 5.410 2.630 1.00 0.33 H new ATOM 0 HA ASP A 69 12.364 7.981 2.301 1.00 0.39 H new ATOM 0 HB2 ASP A 69 11.081 6.374 4.330 1.00 0.50 H new ATOM 0 HB3 ASP A 69 12.443 7.193 5.068 1.00 0.50 H new ATOM 1099 N ASN A 70 14.402 5.876 3.830 1.00 0.35 N ATOM 1100 CA ASN A 70 15.780 5.660 4.258 1.00 0.37 C ATOM 1101 C ASN A 70 16.746 5.705 3.078 1.00 0.33 C ATOM 1102 O ASN A 70 17.693 6.490 3.069 1.00 0.40 O ATOM 1103 CB ASN A 70 15.903 4.314 4.977 1.00 0.44 C ATOM 1104 CG ASN A 70 15.638 4.421 6.470 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.552 4.655 7.259 1.00 0.95 O ATOM 1106 ND2 ASN A 70 14.383 4.253 6.865 1.00 1.69 N ATOM 0 H ASN A 70 13.775 5.096 4.028 1.00 0.35 H new ATOM 0 HA ASN A 70 16.045 6.465 4.943 1.00 0.37 H new ATOM 0 HB2 ASN A 70 15.201 3.606 4.537 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.903 3.911 4.817 1.00 0.44 H new ATOM 0 HD21 ASN A 70 14.147 4.316 7.855 1.00 1.69 H new ATOM 0 HD22 ASN A 70 13.654 4.060 6.178 1.00 1.69 H new ATOM 1113 N TRP A 71 16.481 4.879 2.076 1.00 0.30 N ATOM 1114 CA TRP A 71 17.318 4.800 0.879 1.00 0.36 C ATOM 1115 C TRP A 71 17.418 6.154 0.178 1.00 0.35 C ATOM 1116 O TRP A 71 18.483 6.531 -0.318 1.00 0.40 O ATOM 1117 CB TRP A 71 16.731 3.759 -0.073 1.00 0.42 C ATOM 1118 CG TRP A 71 17.703 3.172 -1.053 1.00 0.52 C ATOM 1119 CD1 TRP A 71 18.602 2.161 -0.835 1.00 0.63 C ATOM 1120 CD2 TRP A 71 17.832 3.531 -2.428 1.00 0.58 C ATOM 1121 NE1 TRP A 71 19.300 1.902 -1.990 1.00 0.72 N ATOM 1122 CE2 TRP A 71 18.843 2.728 -2.981 1.00 0.68 C ATOM 1123 CE3 TRP A 71 17.193 4.468 -3.243 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 19.229 2.832 -4.313 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.573 4.568 -4.563 1.00 0.73 C ATOM 1126 CH2 TRP A 71 18.581 3.755 -5.089 1.00 0.77 C ATOM 0 H TRP A 71 15.682 4.244 2.066 1.00 0.30 H new ATOM 0 HA TRP A 71 18.325 4.507 1.177 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.302 2.950 0.518 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.912 4.217 -0.628 1.00 0.42 H new ATOM 0 HD1 TRP A 71 18.741 1.645 0.104 1.00 0.63 H new ATOM 0 HE1 TRP A 71 20.039 1.207 -2.092 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.415 5.103 -2.845 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 20.011 2.208 -4.720 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 17.084 5.287 -5.203 1.00 0.73 H new ATOM 0 HH2 TRP A 71 18.854 3.857 -6.129 1.00 0.77 H new ATOM 1137 N LEU A 72 16.301 6.868 0.115 1.00 0.36 N ATOM 1138 CA LEU A 72 16.257 8.152 -0.574 1.00 0.42 C ATOM 1139 C LEU A 72 16.968 9.243 0.219 1.00 0.49 C ATOM 1140 O LEU A 72 17.766 9.988 -0.332 1.00 0.61 O ATOM 1141 CB LEU A 72 14.806 8.566 -0.835 1.00 0.45 C ATOM 1142 CG LEU A 72 14.357 8.490 -2.296 1.00 0.42 C ATOM 1143 CD1 LEU A 72 14.801 7.181 -2.934 1.00 1.23 C ATOM 1144 CD2 LEU A 72 12.848 8.638 -2.388 1.00 1.38 C ATOM 0 H LEU A 72 15.415 6.581 0.532 1.00 0.36 H new ATOM 0 HA LEU A 72 16.778 8.031 -1.524 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.151 7.932 -0.237 1.00 0.45 H new ATOM 0 HB3 LEU A 72 14.668 9.588 -0.482 1.00 0.45 H new ATOM 0 HG LEU A 72 14.826 9.309 -2.842 1.00 0.42 H new ATOM 0 HD11 LEU A 72 14.470 7.151 -3.972 1.00 1.23 H new ATOM 0 HD12 LEU A 72 15.888 7.109 -2.898 1.00 1.23 H new ATOM 0 HD13 LEU A 72 14.364 6.344 -2.390 1.00 1.23 H new ATOM 0 HD21 LEU A 72 12.540 8.582 -3.432 1.00 1.38 H new ATOM 0 HD22 LEU A 72 12.369 7.837 -1.825 1.00 1.38 H new ATOM 0 HD23 LEU A 72 12.551 9.601 -1.973 1.00 1.38 H new ATOM 1156 N LYS A 73 16.620 9.386 1.491 1.00 0.51 N ATOM 1157 CA LYS A 73 17.156 10.476 2.303 1.00 0.64 C ATOM 1158 C LYS A 73 18.639 10.282 2.611 1.00 0.63 C ATOM 1159 O LYS A 73 19.358 11.246 2.868 1.00 0.74 O ATOM 1160 CB LYS A 73 16.369 10.613 3.610 1.00 0.82 C ATOM 1161 CG LYS A 73 14.904 10.982 3.415 1.00 0.97 C ATOM 1162 CD LYS A 73 14.166 11.065 4.743 1.00 1.32 C ATOM 1163 CE LYS A 73 14.292 9.775 5.538 1.00 1.19 C ATOM 1164 NZ LYS A 73 14.657 10.024 6.955 1.00 1.42 N ATOM 0 H LYS A 73 15.974 8.768 1.982 1.00 0.51 H new ATOM 0 HA LYS A 73 17.050 11.391 1.720 1.00 0.64 H new ATOM 0 HB2 LYS A 73 16.426 9.672 4.157 1.00 0.82 H new ATOM 0 HB3 LYS A 73 16.845 11.372 4.231 1.00 0.82 H new ATOM 0 HG2 LYS A 73 14.835 11.940 2.899 1.00 0.97 H new ATOM 0 HG3 LYS A 73 14.423 10.241 2.777 1.00 0.97 H new ATOM 0 HD2 LYS A 73 14.563 11.894 5.329 1.00 1.32 H new ATOM 0 HD3 LYS A 73 13.113 11.279 4.561 1.00 1.32 H new ATOM 0 HE2 LYS A 73 13.348 9.232 5.498 1.00 1.19 H new ATOM 0 HE3 LYS A 73 15.047 9.138 5.077 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 14.732 9.117 7.459 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 15.570 10.519 6.996 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 13.925 10.610 7.404 1.00 1.42 H new ATOM 1178 N GLU A 74 19.077 9.033 2.675 1.00 0.60 N ATOM 1179 CA GLU A 74 20.456 8.742 3.047 1.00 0.77 C ATOM 1180 C GLU A 74 21.372 8.681 1.828 1.00 0.85 C ATOM 1181 O GLU A 74 22.421 9.324 1.804 1.00 1.00 O ATOM 1182 CB GLU A 74 20.541 7.428 3.825 1.00 0.93 C ATOM 1183 CG GLU A 74 19.982 7.517 5.236 1.00 1.00 C ATOM 1184 CD GLU A 74 20.704 8.540 6.087 1.00 1.39 C ATOM 1185 OE1 GLU A 74 21.937 8.420 6.256 1.00 1.30 O ATOM 1186 OE2 GLU A 74 20.044 9.469 6.600 1.00 2.41 O ATOM 0 H GLU A 74 18.505 8.212 2.477 1.00 0.60 H new ATOM 0 HA GLU A 74 20.795 9.559 3.684 1.00 0.77 H new ATOM 0 HB2 GLU A 74 20.000 6.656 3.277 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.583 7.113 3.876 1.00 0.93 H new ATOM 0 HG2 GLU A 74 18.924 7.773 5.188 1.00 1.00 H new ATOM 0 HG3 GLU A 74 20.052 6.539 5.713 1.00 1.00 H new ATOM 1193 N ASN A 75 21.024 7.850 0.858 1.00 0.95 N ATOM 1194 CA ASN A 75 21.898 7.617 -0.289 1.00 1.20 C ATOM 1195 C ASN A 75 21.608 8.584 -1.435 1.00 1.20 C ATOM 1196 O ASN A 75 22.502 8.930 -2.207 1.00 1.32 O ATOM 1197 CB ASN A 75 21.763 6.159 -0.759 1.00 1.49 C ATOM 1198 CG ASN A 75 21.426 6.027 -2.233 1.00 1.22 C ATOM 1199 OD1 ASN A 75 22.313 5.953 -3.080 1.00 1.55 O ATOM 1200 ND2 ASN A 75 20.141 5.997 -2.544 1.00 0.88 N ATOM 0 H ASN A 75 20.149 7.327 0.838 1.00 0.95 H new ATOM 0 HA ASN A 75 22.925 7.799 0.028 1.00 1.20 H new ATOM 0 HB2 ASN A 75 22.697 5.633 -0.559 1.00 1.49 H new ATOM 0 HB3 ASN A 75 20.988 5.666 -0.172 1.00 1.49 H new ATOM 0 HD21 ASN A 75 19.854 5.910 -3.519 1.00 0.88 H new ATOM 0 HD22 ASN A 75 19.437 6.061 -1.809 1.00 0.88 H new ATOM 1207 N GLU A 76 20.356 8.982 -1.569 1.00 1.19 N ATOM 1208 CA GLU A 76 19.953 9.853 -2.660 1.00 1.36 C ATOM 1209 C GLU A 76 19.726 11.275 -2.156 1.00 1.69 C ATOM 1210 O GLU A 76 20.286 11.627 -1.093 1.00 2.16 O ATOM 1211 CB GLU A 76 18.681 9.308 -3.320 1.00 1.69 C ATOM 1212 CG GLU A 76 18.760 9.212 -4.836 1.00 1.63 C ATOM 1213 CD GLU A 76 20.041 8.565 -5.324 1.00 2.07 C ATOM 1214 OE1 GLU A 76 20.131 7.319 -5.289 1.00 2.92 O ATOM 1215 OE2 GLU A 76 20.968 9.294 -5.737 1.00 2.17 O ATOM 1216 OXT GLU A 76 18.985 12.034 -2.815 1.00 2.16 O ATOM 0 H GLU A 76 19.601 8.717 -0.937 1.00 1.19 H new ATOM 0 HA GLU A 76 20.752 9.879 -3.401 1.00 1.36 H new ATOM 0 HB2 GLU A 76 18.470 8.319 -2.915 1.00 1.69 H new ATOM 0 HB3 GLU A 76 17.842 9.949 -3.051 1.00 1.69 H new ATOM 0 HG2 GLU A 76 17.908 8.640 -5.203 1.00 1.63 H new ATOM 0 HG3 GLU A 76 18.680 10.212 -5.262 1.00 1.63 H new TER 1223 GLU A 76 ATOM 1224 N MET B 1 -40.360 -69.842 -15.048 1.00 49.72 N ATOM 1225 CA MET B 1 -40.245 -71.319 -15.074 1.00 50.01 C ATOM 1226 C MET B 1 -39.548 -71.823 -13.814 1.00 50.09 C ATOM 1227 O MET B 1 -39.143 -71.027 -12.965 1.00 50.14 O ATOM 1228 CB MET B 1 -39.461 -71.735 -16.319 1.00 49.83 C ATOM 1229 CG MET B 1 -40.258 -72.605 -17.276 1.00 50.16 C ATOM 1230 SD MET B 1 -40.806 -74.144 -16.519 1.00 50.63 S ATOM 1231 CE MET B 1 -39.732 -75.322 -17.341 1.00 50.90 C ATOM 0 H1 MET B 1 -41.106 -69.540 -15.706 1.00 49.72 H new ATOM 0 H2 MET B 1 -40.600 -69.529 -14.086 1.00 49.72 H new ATOM 0 H3 MET B 1 -39.454 -69.418 -15.334 1.00 49.72 H new ATOM 0 HA MET B 1 -41.241 -71.760 -15.107 1.00 50.01 H new ATOM 0 HB2 MET B 1 -39.129 -70.840 -16.845 1.00 49.83 H new ATOM 0 HB3 MET B 1 -38.565 -72.274 -16.011 1.00 49.83 H new ATOM 0 HG2 MET B 1 -41.126 -72.049 -17.629 1.00 50.16 H new ATOM 0 HG3 MET B 1 -39.647 -72.831 -18.150 1.00 50.16 H new ATOM 0 HE1 MET B 1 -39.949 -76.327 -16.979 1.00 50.90 H new ATOM 0 HE2 MET B 1 -39.901 -75.280 -18.417 1.00 50.90 H new ATOM 0 HE3 MET B 1 -38.692 -75.076 -17.128 1.00 50.90 H new ATOM 1243 N SER B 2 -39.405 -73.138 -13.701 1.00 50.14 N ATOM 1244 CA SER B 2 -38.772 -73.749 -12.542 1.00 50.28 C ATOM 1245 C SER B 2 -37.331 -73.269 -12.374 1.00 49.60 C ATOM 1246 O SER B 2 -36.660 -72.931 -13.356 1.00 49.19 O ATOM 1247 CB SER B 2 -38.809 -75.264 -12.693 1.00 50.63 C ATOM 1248 OG SER B 2 -39.714 -75.639 -13.722 1.00 50.88 O ATOM 0 H SER B 2 -39.722 -73.805 -14.405 1.00 50.14 H new ATOM 0 HA SER B 2 -39.322 -73.453 -11.649 1.00 50.28 H new ATOM 0 HB2 SER B 2 -37.811 -75.637 -12.924 1.00 50.63 H new ATOM 0 HB3 SER B 2 -39.110 -75.722 -11.751 1.00 50.63 H new ATOM 0 HG SER B 2 -39.725 -76.615 -13.808 1.00 50.88 H new ATOM 1254 N LEU B 3 -36.893 -73.197 -11.116 1.00 49.51 N ATOM 1255 CA LEU B 3 -35.558 -72.713 -10.764 1.00 48.94 C ATOM 1256 C LEU B 3 -35.387 -71.252 -11.173 1.00 48.22 C ATOM 1257 O LEU B 3 -34.277 -70.803 -11.462 1.00 48.18 O ATOM 1258 CB LEU B 3 -34.470 -73.583 -11.406 1.00 48.75 C ATOM 1259 CG LEU B 3 -33.781 -74.574 -10.461 1.00 48.99 C ATOM 1260 CD1 LEU B 3 -33.493 -73.928 -9.115 1.00 49.26 C ATOM 1261 CD2 LEU B 3 -34.632 -75.824 -10.282 1.00 48.96 C ATOM 0 H LEU B 3 -37.456 -73.473 -10.311 1.00 49.51 H new ATOM 0 HA LEU B 3 -35.452 -72.782 -9.681 1.00 48.94 H new ATOM 0 HB2 LEU B 3 -34.914 -74.141 -12.230 1.00 48.75 H new ATOM 0 HB3 LEU B 3 -33.711 -72.929 -11.836 1.00 48.75 H new ATOM 0 HG LEU B 3 -32.831 -74.865 -10.909 1.00 48.99 H new ATOM 0 HD11 LEU B 3 -33.004 -74.651 -8.462 1.00 49.26 H new ATOM 0 HD12 LEU B 3 -32.840 -73.067 -9.257 1.00 49.26 H new ATOM 0 HD13 LEU B 3 -34.428 -73.602 -8.660 1.00 49.26 H new ATOM 0 HD21 LEU B 3 -34.126 -76.515 -9.608 1.00 48.96 H new ATOM 0 HD22 LEU B 3 -35.599 -75.549 -9.861 1.00 48.96 H new ATOM 0 HD23 LEU B 3 -34.781 -76.304 -11.249 1.00 48.96 H new ATOM 1273 N GLU B 4 -36.501 -70.519 -11.160 1.00 47.69 N ATOM 1274 CA GLU B 4 -36.520 -69.096 -11.501 1.00 46.99 C ATOM 1275 C GLU B 4 -35.862 -68.836 -12.854 1.00 46.41 C ATOM 1276 O GLU B 4 -35.008 -67.954 -12.984 1.00 46.09 O ATOM 1277 CB GLU B 4 -35.825 -68.274 -10.411 1.00 47.08 C ATOM 1278 CG GLU B 4 -36.775 -67.422 -9.585 1.00 47.35 C ATOM 1279 CD GLU B 4 -37.821 -66.719 -10.424 1.00 47.87 C ATOM 1280 OE1 GLU B 4 -38.886 -67.320 -10.680 1.00 48.48 O ATOM 1281 OE2 GLU B 4 -37.597 -65.557 -10.817 1.00 47.70 O ATOM 0 H GLU B 4 -37.416 -70.895 -10.913 1.00 47.69 H new ATOM 0 HA GLU B 4 -37.563 -68.787 -11.569 1.00 46.99 H new ATOM 0 HB2 GLU B 4 -35.287 -68.950 -9.746 1.00 47.08 H new ATOM 0 HB3 GLU B 4 -35.082 -67.626 -10.876 1.00 47.08 H new ATOM 0 HG2 GLU B 4 -37.272 -68.053 -8.848 1.00 47.35 H new ATOM 0 HG3 GLU B 4 -36.200 -66.678 -9.033 1.00 47.35 H new ATOM 1288 N LYS B 5 -36.268 -69.593 -13.860 1.00 46.34 N ATOM 1289 CA LYS B 5 -35.727 -69.429 -15.200 1.00 45.89 C ATOM 1290 C LYS B 5 -36.714 -68.684 -16.086 1.00 45.32 C ATOM 1291 O LYS B 5 -37.911 -68.975 -16.070 1.00 45.40 O ATOM 1292 CB LYS B 5 -35.396 -70.790 -15.808 1.00 46.20 C ATOM 1293 CG LYS B 5 -33.912 -71.104 -15.812 1.00 46.45 C ATOM 1294 CD LYS B 5 -33.567 -72.196 -14.814 1.00 47.12 C ATOM 1295 CE LYS B 5 -33.407 -73.540 -15.500 1.00 47.36 C ATOM 1296 NZ LYS B 5 -32.018 -73.756 -15.977 1.00 47.29 N ATOM 0 H LYS B 5 -36.971 -70.327 -13.775 1.00 46.34 H new ATOM 0 HA LYS B 5 -34.811 -68.843 -15.132 1.00 45.89 H new ATOM 0 HB2 LYS B 5 -35.922 -71.566 -15.252 1.00 46.20 H new ATOM 0 HB3 LYS B 5 -35.769 -70.823 -16.832 1.00 46.20 H new ATOM 0 HG2 LYS B 5 -33.608 -71.415 -16.812 1.00 46.45 H new ATOM 0 HG3 LYS B 5 -33.348 -70.202 -15.574 1.00 46.45 H new ATOM 0 HD2 LYS B 5 -32.644 -71.938 -14.295 1.00 47.12 H new ATOM 0 HD3 LYS B 5 -34.350 -72.262 -14.059 1.00 47.12 H new ATOM 0 HE2 LYS B 5 -33.681 -74.336 -14.808 1.00 47.36 H new ATOM 0 HE3 LYS B 5 -34.094 -73.601 -16.344 1.00 47.36 H new ATOM 0 HZ1 LYS B 5 -31.950 -74.685 -16.440 1.00 47.29 H new ATOM 0 HZ2 LYS B 5 -31.765 -73.011 -16.657 1.00 47.29 H new ATOM 0 HZ3 LYS B 5 -31.364 -73.723 -15.169 1.00 47.29 H new ATOM 1310 N ALA B 6 -36.212 -67.716 -16.843 1.00 44.78 N ATOM 1311 CA ALA B 6 -37.049 -66.917 -17.728 1.00 44.24 C ATOM 1312 C ALA B 6 -36.200 -66.232 -18.798 1.00 43.74 C ATOM 1313 O ALA B 6 -35.648 -66.893 -19.679 1.00 43.85 O ATOM 1314 CB ALA B 6 -37.838 -65.894 -16.924 1.00 44.52 C ATOM 0 H ALA B 6 -35.224 -67.465 -16.861 1.00 44.78 H new ATOM 0 HA ALA B 6 -37.755 -67.578 -18.231 1.00 44.24 H new ATOM 0 HB1 ALA B 6 -38.460 -65.303 -17.597 1.00 44.52 H new ATOM 0 HB2 ALA B 6 -38.472 -66.409 -16.203 1.00 44.52 H new ATOM 0 HB3 ALA B 6 -37.148 -65.236 -16.396 1.00 44.52 H new ATOM 1320 N HIS B 7 -36.031 -64.919 -18.680 1.00 43.26 N ATOM 1321 CA HIS B 7 -35.180 -64.177 -19.601 1.00 42.80 C ATOM 1322 C HIS B 7 -34.521 -63.002 -18.887 1.00 42.47 C ATOM 1323 O HIS B 7 -35.197 -62.091 -18.408 1.00 42.04 O ATOM 1324 CB HIS B 7 -35.966 -63.704 -20.843 1.00 42.48 C ATOM 1325 CG HIS B 7 -37.066 -62.717 -20.572 1.00 42.63 C ATOM 1326 ND1 HIS B 7 -36.964 -61.377 -20.875 1.00 42.29 N ATOM 1327 CD2 HIS B 7 -38.298 -62.885 -20.035 1.00 43.14 C ATOM 1328 CE1 HIS B 7 -38.082 -60.763 -20.538 1.00 42.58 C ATOM 1329 NE2 HIS B 7 -38.910 -61.655 -20.027 1.00 43.10 N ATOM 0 H HIS B 7 -36.471 -64.349 -17.958 1.00 43.26 H new ATOM 0 HA HIS B 7 -34.397 -64.850 -19.952 1.00 42.80 H new ATOM 0 HB2 HIS B 7 -35.265 -63.256 -21.547 1.00 42.48 H new ATOM 0 HB3 HIS B 7 -36.397 -64.577 -21.334 1.00 42.48 H new ATOM 0 HD2 HIS B 7 -38.721 -63.813 -19.679 1.00 43.14 H new ATOM 0 HE1 HIS B 7 -38.285 -59.709 -20.660 1.00 42.58 H new ATOM 0 HE2 HIS B 7 -39.851 -61.463 -19.682 1.00 43.10 H new ATOM 1338 N THR B 8 -33.208 -63.070 -18.747 1.00 42.72 N ATOM 1339 CA THR B 8 -32.464 -62.042 -18.040 1.00 42.49 C ATOM 1340 C THR B 8 -32.600 -60.694 -18.741 1.00 42.09 C ATOM 1341 O THR B 8 -32.342 -60.575 -19.939 1.00 42.17 O ATOM 1342 CB THR B 8 -30.975 -62.416 -17.933 1.00 43.02 C ATOM 1343 OG1 THR B 8 -30.680 -63.496 -18.832 1.00 43.54 O ATOM 1344 CG2 THR B 8 -30.613 -62.818 -16.509 1.00 43.04 C ATOM 0 H THR B 8 -32.634 -63.829 -19.115 1.00 42.72 H new ATOM 0 HA THR B 8 -32.883 -61.965 -17.037 1.00 42.49 H new ATOM 0 HB THR B 8 -30.382 -61.542 -18.203 1.00 43.02 H new ATOM 0 HG1 THR B 8 -30.918 -64.348 -18.409 1.00 43.54 H new ATOM 0 HG21 THR B 8 -29.555 -63.077 -16.462 1.00 43.04 H new ATOM 0 HG22 THR B 8 -30.813 -61.986 -15.834 1.00 43.04 H new ATOM 0 HG23 THR B 8 -31.211 -63.679 -16.211 1.00 43.04 H new ATOM 1352 N SER B 9 -33.054 -59.697 -18.003 1.00 41.72 N ATOM 1353 CA SER B 9 -33.246 -58.366 -18.550 1.00 41.37 C ATOM 1354 C SER B 9 -32.502 -57.342 -17.702 1.00 40.97 C ATOM 1355 O SER B 9 -33.028 -56.281 -17.377 1.00 40.81 O ATOM 1356 CB SER B 9 -34.740 -58.034 -18.606 1.00 41.56 C ATOM 1357 OG SER B 9 -35.526 -59.215 -18.559 1.00 41.99 O ATOM 0 H SER B 9 -33.298 -59.785 -17.017 1.00 41.72 H new ATOM 0 HA SER B 9 -32.845 -58.334 -19.563 1.00 41.37 H new ATOM 0 HB2 SER B 9 -35.003 -57.384 -17.771 1.00 41.56 H new ATOM 0 HB3 SER B 9 -34.960 -57.483 -19.520 1.00 41.56 H new ATOM 0 HG SER B 9 -36.476 -58.977 -18.595 1.00 41.99 H new ATOM 1363 N VAL B 10 -31.262 -57.670 -17.359 1.00 40.88 N ATOM 1364 CA VAL B 10 -30.433 -56.792 -16.538 1.00 40.57 C ATOM 1365 C VAL B 10 -29.509 -55.951 -17.407 1.00 39.78 C ATOM 1366 O VAL B 10 -28.537 -55.371 -16.919 1.00 39.60 O ATOM 1367 CB VAL B 10 -29.583 -57.584 -15.522 1.00 41.04 C ATOM 1368 CG1 VAL B 10 -30.269 -57.614 -14.166 1.00 41.05 C ATOM 1369 CG2 VAL B 10 -29.309 -58.997 -16.020 1.00 41.81 C ATOM 0 H VAL B 10 -30.806 -58.539 -17.637 1.00 40.88 H new ATOM 0 HA VAL B 10 -31.115 -56.143 -15.989 1.00 40.57 H new ATOM 0 HB VAL B 10 -28.624 -57.077 -15.413 1.00 41.04 H new ATOM 0 HG11 VAL B 10 -29.657 -58.176 -13.461 1.00 41.05 H new ATOM 0 HG12 VAL B 10 -30.399 -56.595 -13.801 1.00 41.05 H new ATOM 0 HG13 VAL B 10 -31.244 -58.092 -14.262 1.00 41.05 H new ATOM 0 HG21 VAL B 10 -28.708 -59.532 -15.284 1.00 41.81 H new ATOM 0 HG22 VAL B 10 -30.254 -59.521 -16.167 1.00 41.81 H new ATOM 0 HG23 VAL B 10 -28.769 -58.951 -16.966 1.00 41.81 H new ATOM 1379 N LYS B 11 -29.814 -55.900 -18.696 1.00 39.37 N ATOM 1380 CA LYS B 11 -29.019 -55.139 -19.645 1.00 38.66 C ATOM 1381 C LYS B 11 -29.165 -53.645 -19.387 1.00 37.92 C ATOM 1382 O LYS B 11 -30.235 -53.067 -19.594 1.00 37.86 O ATOM 1383 CB LYS B 11 -29.440 -55.471 -21.080 1.00 38.51 C ATOM 1384 CG LYS B 11 -28.614 -54.758 -22.139 1.00 38.70 C ATOM 1385 CD LYS B 11 -27.535 -55.666 -22.705 1.00 39.11 C ATOM 1386 CE LYS B 11 -26.616 -54.910 -23.650 1.00 39.26 C ATOM 1387 NZ LYS B 11 -25.225 -54.832 -23.131 1.00 39.34 N ATOM 0 H LYS B 11 -30.613 -56.381 -19.109 1.00 39.37 H new ATOM 0 HA LYS B 11 -27.972 -55.413 -19.515 1.00 38.66 H new ATOM 0 HB2 LYS B 11 -29.360 -56.547 -21.233 1.00 38.51 H new ATOM 0 HB3 LYS B 11 -30.489 -55.207 -21.212 1.00 38.51 H new ATOM 0 HG2 LYS B 11 -29.266 -54.420 -22.944 1.00 38.70 H new ATOM 0 HG3 LYS B 11 -28.154 -53.869 -21.707 1.00 38.70 H new ATOM 0 HD2 LYS B 11 -26.951 -56.092 -21.889 1.00 39.11 H new ATOM 0 HD3 LYS B 11 -27.998 -56.499 -23.234 1.00 39.11 H new ATOM 0 HE2 LYS B 11 -26.613 -55.401 -24.623 1.00 39.26 H new ATOM 0 HE3 LYS B 11 -27.003 -53.903 -23.803 1.00 39.26 H new ATOM 0 HZ1 LYS B 11 -24.632 -54.308 -23.806 1.00 39.34 H new ATOM 0 HZ2 LYS B 11 -25.223 -54.340 -22.215 1.00 39.34 H new ATOM 0 HZ3 LYS B 11 -24.846 -55.793 -23.009 1.00 39.34 H new ATOM 1401 N LYS B 12 -28.091 -53.030 -18.921 1.00 37.43 N ATOM 1402 CA LYS B 12 -28.085 -51.602 -18.655 1.00 36.75 C ATOM 1403 C LYS B 12 -27.508 -50.860 -19.849 1.00 36.06 C ATOM 1404 O LYS B 12 -26.404 -51.166 -20.298 1.00 35.87 O ATOM 1405 CB LYS B 12 -27.263 -51.299 -17.403 1.00 36.61 C ATOM 1406 CG LYS B 12 -27.978 -50.402 -16.409 1.00 36.83 C ATOM 1407 CD LYS B 12 -27.667 -48.937 -16.661 1.00 36.79 C ATOM 1408 CE LYS B 12 -28.236 -48.049 -15.567 1.00 36.93 C ATOM 1409 NZ LYS B 12 -29.340 -47.191 -16.070 1.00 36.94 N ATOM 0 H LYS B 12 -27.209 -53.500 -18.718 1.00 37.43 H new ATOM 0 HA LYS B 12 -29.109 -51.270 -18.487 1.00 36.75 H new ATOM 0 HB2 LYS B 12 -27.005 -52.237 -16.912 1.00 36.61 H new ATOM 0 HB3 LYS B 12 -26.327 -50.826 -17.699 1.00 36.61 H new ATOM 0 HG2 LYS B 12 -29.054 -50.564 -16.478 1.00 36.83 H new ATOM 0 HG3 LYS B 12 -27.680 -50.670 -15.395 1.00 36.83 H new ATOM 0 HD2 LYS B 12 -26.587 -48.798 -16.719 1.00 36.79 H new ATOM 0 HD3 LYS B 12 -28.079 -48.637 -17.625 1.00 36.79 H new ATOM 0 HE2 LYS B 12 -28.602 -48.670 -14.749 1.00 36.93 H new ATOM 0 HE3 LYS B 12 -27.444 -47.420 -15.160 1.00 36.93 H new ATOM 0 HZ1 LYS B 12 -29.702 -46.600 -15.294 1.00 36.94 H new ATOM 0 HZ2 LYS B 12 -28.985 -46.581 -16.834 1.00 36.94 H new ATOM 0 HZ3 LYS B 12 -30.107 -47.791 -16.435 1.00 36.94 H new ATOM 1423 N MET B 13 -28.278 -49.934 -20.398 1.00 35.73 N ATOM 1424 CA MET B 13 -27.854 -49.193 -21.580 1.00 35.11 C ATOM 1425 C MET B 13 -26.613 -48.363 -21.282 1.00 34.05 C ATOM 1426 O MET B 13 -26.540 -47.690 -20.250 1.00 33.69 O ATOM 1427 CB MET B 13 -28.980 -48.281 -22.070 1.00 35.48 C ATOM 1428 CG MET B 13 -28.646 -47.529 -23.351 1.00 35.31 C ATOM 1429 SD MET B 13 -30.104 -47.165 -24.350 1.00 35.65 S ATOM 1430 CE MET B 13 -31.254 -46.614 -23.093 1.00 35.62 C ATOM 0 H MET B 13 -29.200 -49.676 -20.046 1.00 35.73 H new ATOM 0 HA MET B 13 -27.613 -49.914 -22.361 1.00 35.11 H new ATOM 0 HB2 MET B 13 -29.875 -48.880 -22.234 1.00 35.48 H new ATOM 0 HB3 MET B 13 -29.218 -47.560 -21.288 1.00 35.48 H new ATOM 0 HG2 MET B 13 -28.143 -46.596 -23.098 1.00 35.31 H new ATOM 0 HG3 MET B 13 -27.945 -48.120 -23.941 1.00 35.31 H new ATOM 0 HE1 MET B 13 -32.030 -46.002 -23.553 1.00 35.62 H new ATOM 0 HE2 MET B 13 -31.711 -47.480 -22.614 1.00 35.62 H new ATOM 0 HE3 MET B 13 -30.722 -46.025 -22.346 1.00 35.62 H new ATOM 1440 N THR B 14 -25.649 -48.411 -22.193 1.00 33.61 N ATOM 1441 CA THR B 14 -24.429 -47.641 -22.061 1.00 32.62 C ATOM 1442 C THR B 14 -24.747 -46.149 -22.083 1.00 31.94 C ATOM 1443 O THR B 14 -25.616 -45.701 -22.836 1.00 32.15 O ATOM 1444 CB THR B 14 -23.439 -47.986 -23.181 1.00 32.54 C ATOM 1445 OG1 THR B 14 -24.140 -48.569 -24.289 1.00 33.35 O ATOM 1446 CG2 THR B 14 -22.377 -48.957 -22.685 1.00 32.48 C ATOM 0 H THR B 14 -25.694 -48.982 -23.037 1.00 33.61 H new ATOM 0 HA THR B 14 -23.966 -47.894 -21.107 1.00 32.62 H new ATOM 0 HB THR B 14 -22.949 -47.066 -23.500 1.00 32.54 H new ATOM 0 HG1 THR B 14 -23.503 -48.786 -25.002 1.00 33.35 H new ATOM 0 HG21 THR B 14 -21.687 -49.187 -23.497 1.00 32.48 H new ATOM 0 HG22 THR B 14 -21.828 -48.505 -21.859 1.00 32.48 H new ATOM 0 HG23 THR B 14 -22.855 -49.876 -22.344 1.00 32.48 H new ATOM 1454 N PHE B 15 -24.155 -45.418 -21.155 1.00 31.19 N ATOM 1455 CA PHE B 15 -24.488 -44.015 -20.951 1.00 30.54 C ATOM 1456 C PHE B 15 -24.029 -43.149 -22.118 1.00 29.77 C ATOM 1457 O PHE B 15 -24.658 -42.140 -22.436 1.00 29.39 O ATOM 1458 CB PHE B 15 -23.869 -43.516 -19.647 1.00 30.31 C ATOM 1459 CG PHE B 15 -24.748 -43.728 -18.446 1.00 30.09 C ATOM 1460 CD1 PHE B 15 -25.575 -44.835 -18.360 1.00 30.43 C ATOM 1461 CD2 PHE B 15 -24.743 -42.818 -17.402 1.00 29.61 C ATOM 1462 CE1 PHE B 15 -26.384 -45.030 -17.259 1.00 30.32 C ATOM 1463 CE2 PHE B 15 -25.548 -43.006 -16.296 1.00 29.47 C ATOM 1464 CZ PHE B 15 -26.370 -44.116 -16.224 1.00 29.84 C ATOM 0 H PHE B 15 -23.436 -45.774 -20.525 1.00 31.19 H new ATOM 0 HA PHE B 15 -25.573 -43.936 -20.891 1.00 30.54 H new ATOM 0 HB2 PHE B 15 -22.919 -44.026 -19.487 1.00 30.31 H new ATOM 0 HB3 PHE B 15 -23.648 -42.453 -19.742 1.00 30.31 H new ATOM 0 HD1 PHE B 15 -25.587 -45.555 -19.165 1.00 30.43 H new ATOM 0 HD2 PHE B 15 -24.102 -41.951 -17.454 1.00 29.61 H new ATOM 0 HE1 PHE B 15 -27.027 -45.896 -17.207 1.00 30.32 H new ATOM 0 HE2 PHE B 15 -25.536 -42.288 -15.489 1.00 29.47 H new ATOM 0 HZ PHE B 15 -27.000 -44.268 -15.360 1.00 29.84 H new ATOM 1474 N GLY B 16 -22.944 -43.547 -22.759 1.00 29.61 N ATOM 1475 CA GLY B 16 -22.433 -42.794 -23.886 1.00 28.95 C ATOM 1476 C GLY B 16 -21.490 -41.689 -23.455 1.00 28.38 C ATOM 1477 O GLY B 16 -20.333 -41.657 -23.869 1.00 27.86 O ATOM 0 H GLY B 16 -22.406 -44.380 -22.520 1.00 29.61 H new ATOM 0 HA2 GLY B 16 -21.913 -43.469 -24.566 1.00 28.95 H new ATOM 0 HA3 GLY B 16 -23.266 -42.363 -24.441 1.00 28.95 H new ATOM 1481 N GLU B 17 -21.977 -40.792 -22.612 1.00 28.54 N ATOM 1482 CA GLU B 17 -21.170 -39.684 -22.123 1.00 28.12 C ATOM 1483 C GLU B 17 -20.301 -40.126 -20.949 1.00 27.58 C ATOM 1484 O GLU B 17 -19.078 -40.215 -21.074 1.00 27.25 O ATOM 1485 CB GLU B 17 -22.067 -38.519 -21.704 1.00 28.76 C ATOM 1486 CG GLU B 17 -21.584 -37.167 -22.195 1.00 28.83 C ATOM 1487 CD GLU B 17 -20.657 -36.491 -21.212 1.00 28.83 C ATOM 1488 OE1 GLU B 17 -21.139 -36.051 -20.149 1.00 28.71 O ATOM 1489 OE2 GLU B 17 -19.441 -36.401 -21.496 1.00 29.03 O ATOM 0 H GLU B 17 -22.931 -40.810 -22.251 1.00 28.54 H new ATOM 0 HA GLU B 17 -20.517 -39.354 -22.931 1.00 28.12 H new ATOM 0 HB2 GLU B 17 -23.074 -38.694 -22.082 1.00 28.76 H new ATOM 0 HB3 GLU B 17 -22.134 -38.497 -20.616 1.00 28.76 H new ATOM 0 HG2 GLU B 17 -21.069 -37.293 -23.147 1.00 28.83 H new ATOM 0 HG3 GLU B 17 -22.444 -36.523 -22.380 1.00 28.83 H new ATOM 1496 N ASN B 18 -20.947 -40.416 -19.821 1.00 27.58 N ATOM 1497 CA ASN B 18 -20.257 -40.875 -18.614 1.00 27.16 C ATOM 1498 C ASN B 18 -19.242 -39.843 -18.128 1.00 26.33 C ATOM 1499 O ASN B 18 -18.037 -40.108 -18.092 1.00 26.18 O ATOM 1500 CB ASN B 18 -19.555 -42.215 -18.861 1.00 27.37 C ATOM 1501 CG ASN B 18 -20.297 -43.380 -18.242 1.00 27.17 C ATOM 1502 OD1 ASN B 18 -20.617 -43.376 -17.053 1.00 26.74 O ATOM 1503 ND2 ASN B 18 -20.565 -44.397 -19.043 1.00 27.56 N ATOM 0 H ASN B 18 -21.959 -40.340 -19.717 1.00 27.58 H new ATOM 0 HA ASN B 18 -21.013 -41.009 -17.840 1.00 27.16 H new ATOM 0 HB2 ASN B 18 -19.459 -42.379 -19.934 1.00 27.37 H new ATOM 0 HB3 ASN B 18 -18.545 -42.173 -18.453 1.00 27.37 H new ATOM 0 HD21 ASN B 18 -21.053 -45.216 -18.681 1.00 27.56 H new ATOM 0 HD22 ASN B 18 -20.283 -44.363 -20.023 1.00 27.56 H new ATOM 1510 N ARG B 19 -19.730 -38.661 -17.780 1.00 25.86 N ATOM 1511 CA ARG B 19 -18.867 -37.584 -17.313 1.00 25.09 C ATOM 1512 C ARG B 19 -18.273 -37.914 -15.945 1.00 24.28 C ATOM 1513 O ARG B 19 -18.962 -38.409 -15.050 1.00 23.72 O ATOM 1514 CB ARG B 19 -19.653 -36.261 -17.269 1.00 24.95 C ATOM 1515 CG ARG B 19 -19.522 -35.467 -15.975 1.00 25.02 C ATOM 1516 CD ARG B 19 -20.887 -35.081 -15.430 1.00 25.65 C ATOM 1517 NE ARG B 19 -20.830 -34.668 -14.030 1.00 25.93 N ATOM 1518 CZ ARG B 19 -20.883 -35.507 -12.992 1.00 26.41 C ATOM 1519 NH1 ARG B 19 -21.003 -36.818 -13.194 1.00 26.67 N ATOM 1520 NH2 ARG B 19 -20.835 -35.038 -11.751 1.00 26.71 N ATOM 0 H ARG B 19 -20.721 -38.423 -17.812 1.00 25.86 H new ATOM 0 HA ARG B 19 -18.039 -37.473 -18.013 1.00 25.09 H new ATOM 0 HB2 ARG B 19 -19.321 -35.633 -18.096 1.00 24.95 H new ATOM 0 HB3 ARG B 19 -20.708 -36.479 -17.437 1.00 24.95 H new ATOM 0 HG2 ARG B 19 -18.985 -36.059 -15.234 1.00 25.02 H new ATOM 0 HG3 ARG B 19 -18.931 -34.569 -16.154 1.00 25.02 H new ATOM 0 HD2 ARG B 19 -21.298 -34.269 -16.029 1.00 25.65 H new ATOM 0 HD3 ARG B 19 -21.568 -35.927 -15.529 1.00 25.65 H new ATOM 0 HE ARG B 19 -20.744 -33.671 -13.832 1.00 25.93 H new ATOM 0 HH11 ARG B 19 -21.055 -37.185 -14.144 1.00 26.67 H new ATOM 0 HH12 ARG B 19 -21.043 -37.455 -12.398 1.00 26.67 H new ATOM 0 HH21 ARG B 19 -20.757 -34.034 -11.588 1.00 26.71 H new ATOM 0 HH22 ARG B 19 -20.876 -35.682 -10.961 1.00 26.71 H new ATOM 1534 N ASP B 20 -17.000 -37.596 -15.781 1.00 24.30 N ATOM 1535 CA ASP B 20 -16.311 -37.804 -14.519 1.00 23.61 C ATOM 1536 C ASP B 20 -15.772 -36.478 -14.001 1.00 22.79 C ATOM 1537 O ASP B 20 -14.897 -35.870 -14.620 1.00 22.56 O ATOM 1538 CB ASP B 20 -15.164 -38.803 -14.689 1.00 24.06 C ATOM 1539 CG ASP B 20 -14.470 -39.110 -13.379 1.00 23.62 C ATOM 1540 OD1 ASP B 20 -15.149 -39.117 -12.332 1.00 23.48 O ATOM 1541 OD2 ASP B 20 -13.241 -39.320 -13.385 1.00 23.49 O ATOM 0 H ASP B 20 -16.418 -37.189 -16.514 1.00 24.30 H new ATOM 0 HA ASP B 20 -17.020 -38.211 -13.798 1.00 23.61 H new ATOM 0 HB2 ASP B 20 -15.551 -39.727 -15.118 1.00 24.06 H new ATOM 0 HB3 ASP B 20 -14.438 -38.402 -15.397 1.00 24.06 H new ATOM 1546 N LEU B 21 -16.354 -35.994 -12.917 1.00 22.46 N ATOM 1547 CA LEU B 21 -15.977 -34.704 -12.357 1.00 21.76 C ATOM 1548 C LEU B 21 -14.701 -34.825 -11.533 1.00 20.84 C ATOM 1549 O LEU B 21 -14.699 -35.406 -10.446 1.00 20.32 O ATOM 1550 CB LEU B 21 -17.112 -34.144 -11.498 1.00 21.92 C ATOM 1551 CG LEU B 21 -17.423 -32.656 -11.704 1.00 22.37 C ATOM 1552 CD1 LEU B 21 -16.346 -31.786 -11.069 1.00 22.89 C ATOM 1553 CD2 LEU B 21 -17.561 -32.335 -13.186 1.00 22.42 C ATOM 0 H LEU B 21 -17.092 -36.476 -12.404 1.00 22.46 H new ATOM 0 HA LEU B 21 -15.789 -34.016 -13.181 1.00 21.76 H new ATOM 0 HB2 LEU B 21 -18.016 -34.718 -11.702 1.00 21.92 H new ATOM 0 HB3 LEU B 21 -16.863 -34.304 -10.449 1.00 21.92 H new ATOM 0 HG LEU B 21 -18.372 -32.438 -11.215 1.00 22.37 H new ATOM 0 HD11 LEU B 21 -16.587 -30.735 -11.227 1.00 22.89 H new ATOM 0 HD12 LEU B 21 -16.297 -31.990 -9.999 1.00 22.89 H new ATOM 0 HD13 LEU B 21 -15.382 -32.010 -11.525 1.00 22.89 H new ATOM 0 HD21 LEU B 21 -17.781 -31.275 -13.310 1.00 22.42 H new ATOM 0 HD22 LEU B 21 -16.629 -32.574 -13.698 1.00 22.42 H new ATOM 0 HD23 LEU B 21 -18.371 -32.926 -13.612 1.00 22.42 H new ATOM 1565 N GLU B 22 -13.625 -34.255 -12.047 1.00 20.72 N ATOM 1566 CA GLU B 22 -12.353 -34.253 -11.348 1.00 19.93 C ATOM 1567 C GLU B 22 -12.094 -32.876 -10.757 1.00 19.41 C ATOM 1568 O GLU B 22 -12.440 -31.859 -11.361 1.00 19.74 O ATOM 1569 CB GLU B 22 -11.209 -34.634 -12.295 1.00 20.20 C ATOM 1570 CG GLU B 22 -11.564 -35.740 -13.277 1.00 20.30 C ATOM 1571 CD GLU B 22 -11.269 -35.364 -14.715 1.00 19.89 C ATOM 1572 OE1 GLU B 22 -11.098 -34.159 -15.001 1.00 19.52 O ATOM 1573 OE2 GLU B 22 -11.221 -36.271 -15.571 1.00 20.02 O ATOM 0 H GLU B 22 -13.608 -33.785 -12.952 1.00 20.72 H new ATOM 0 HA GLU B 22 -12.398 -34.991 -10.548 1.00 19.93 H new ATOM 0 HB2 GLU B 22 -10.903 -33.750 -12.854 1.00 20.20 H new ATOM 0 HB3 GLU B 22 -10.350 -34.949 -11.703 1.00 20.20 H new ATOM 0 HG2 GLU B 22 -11.007 -36.641 -13.020 1.00 20.30 H new ATOM 0 HG3 GLU B 22 -12.622 -35.981 -13.179 1.00 20.30 H new ATOM 1580 N ARG B 23 -11.498 -32.847 -9.577 1.00 18.69 N ATOM 1581 CA ARG B 23 -11.184 -31.594 -8.915 1.00 18.19 C ATOM 1582 C ARG B 23 -9.706 -31.541 -8.562 1.00 17.33 C ATOM 1583 O ARG B 23 -9.270 -32.092 -7.551 1.00 17.06 O ATOM 1584 CB ARG B 23 -12.039 -31.421 -7.659 1.00 18.28 C ATOM 1585 CG ARG B 23 -12.473 -29.985 -7.413 1.00 18.65 C ATOM 1586 CD ARG B 23 -13.439 -29.500 -8.482 1.00 18.48 C ATOM 1587 NE ARG B 23 -12.749 -28.869 -9.612 1.00 18.13 N ATOM 1588 CZ ARG B 23 -12.386 -27.587 -9.650 1.00 17.91 C ATOM 1589 NH1 ARG B 23 -12.662 -26.780 -8.632 1.00 18.00 N ATOM 1590 NH2 ARG B 23 -11.754 -27.113 -10.715 1.00 17.74 N ATOM 0 H ARG B 23 -11.222 -33.680 -9.057 1.00 18.69 H new ATOM 0 HA ARG B 23 -11.409 -30.775 -9.599 1.00 18.19 H new ATOM 0 HB2 ARG B 23 -12.925 -32.050 -7.743 1.00 18.28 H new ATOM 0 HB3 ARG B 23 -11.477 -31.775 -6.795 1.00 18.28 H new ATOM 0 HG2 ARG B 23 -12.946 -29.910 -6.434 1.00 18.65 H new ATOM 0 HG3 ARG B 23 -11.596 -29.338 -7.394 1.00 18.65 H new ATOM 0 HD2 ARG B 23 -14.029 -30.342 -8.844 1.00 18.48 H new ATOM 0 HD3 ARG B 23 -14.137 -28.788 -8.042 1.00 18.48 H new ATOM 0 HE ARG B 23 -12.533 -29.450 -10.422 1.00 18.13 H new ATOM 0 HH11 ARG B 23 -13.155 -27.140 -7.815 1.00 18.00 H new ATOM 0 HH12 ARG B 23 -12.381 -25.800 -8.667 1.00 18.00 H new ATOM 0 HH21 ARG B 23 -11.547 -27.729 -11.501 1.00 17.74 H new ATOM 0 HH22 ARG B 23 -11.475 -26.133 -10.748 1.00 17.74 H new ATOM 1604 N VAL B 24 -8.935 -30.895 -9.417 1.00 17.00 N ATOM 1605 CA VAL B 24 -7.506 -30.768 -9.205 1.00 16.23 C ATOM 1606 C VAL B 24 -7.198 -29.426 -8.555 1.00 15.49 C ATOM 1607 O VAL B 24 -6.803 -28.469 -9.220 1.00 15.64 O ATOM 1608 CB VAL B 24 -6.719 -30.900 -10.528 1.00 16.53 C ATOM 1609 CG1 VAL B 24 -5.234 -31.079 -10.256 1.00 16.12 C ATOM 1610 CG2 VAL B 24 -7.252 -32.060 -11.354 1.00 17.37 C ATOM 0 H VAL B 24 -9.277 -30.449 -10.268 1.00 17.00 H new ATOM 0 HA VAL B 24 -7.193 -31.578 -8.547 1.00 16.23 H new ATOM 0 HB VAL B 24 -6.854 -29.980 -11.097 1.00 16.53 H new ATOM 0 HG11 VAL B 24 -4.699 -31.170 -11.201 1.00 16.12 H new ATOM 0 HG12 VAL B 24 -4.858 -30.215 -9.708 1.00 16.12 H new ATOM 0 HG13 VAL B 24 -5.079 -31.980 -9.663 1.00 16.12 H new ATOM 0 HG21 VAL B 24 -6.685 -32.137 -12.282 1.00 17.37 H new ATOM 0 HG22 VAL B 24 -7.150 -32.986 -10.789 1.00 17.37 H new ATOM 0 HG23 VAL B 24 -8.304 -31.890 -11.584 1.00 17.37 H new ATOM 1620 N VAL B 25 -7.397 -29.360 -7.248 1.00 14.81 N ATOM 1621 CA VAL B 25 -7.152 -28.137 -6.499 1.00 14.13 C ATOM 1622 C VAL B 25 -5.861 -28.258 -5.709 1.00 13.38 C ATOM 1623 O VAL B 25 -5.629 -27.525 -4.747 1.00 13.23 O ATOM 1624 CB VAL B 25 -8.312 -27.796 -5.532 1.00 14.18 C ATOM 1625 CG1 VAL B 25 -8.931 -26.451 -5.888 1.00 13.94 C ATOM 1626 CG2 VAL B 25 -9.372 -28.891 -5.523 1.00 14.46 C ATOM 0 H VAL B 25 -7.728 -30.141 -6.682 1.00 14.81 H new ATOM 0 HA VAL B 25 -7.074 -27.329 -7.226 1.00 14.13 H new ATOM 0 HB VAL B 25 -7.896 -27.731 -4.527 1.00 14.18 H new ATOM 0 HG11 VAL B 25 -9.744 -26.230 -5.196 1.00 13.94 H new ATOM 0 HG12 VAL B 25 -8.173 -25.671 -5.817 1.00 13.94 H new ATOM 0 HG13 VAL B 25 -9.320 -26.487 -6.906 1.00 13.94 H new ATOM 0 HG21 VAL B 25 -10.171 -28.618 -4.833 1.00 14.46 H new ATOM 0 HG22 VAL B 25 -9.783 -29.008 -6.526 1.00 14.46 H new ATOM 0 HG23 VAL B 25 -8.922 -29.831 -5.203 1.00 14.46 H new ATOM 1636 N THR B 26 -5.030 -29.205 -6.114 1.00 13.07 N ATOM 1637 CA THR B 26 -3.761 -29.447 -5.454 1.00 12.47 C ATOM 1638 C THR B 26 -2.759 -28.348 -5.792 1.00 11.78 C ATOM 1639 O THR B 26 -2.190 -28.320 -6.883 1.00 11.91 O ATOM 1640 CB THR B 26 -3.190 -30.816 -5.865 1.00 12.87 C ATOM 1641 OG1 THR B 26 -4.209 -31.586 -6.524 1.00 13.71 O ATOM 1642 CG2 THR B 26 -2.679 -31.581 -4.651 1.00 12.94 C ATOM 0 H THR B 26 -5.216 -29.823 -6.904 1.00 13.07 H new ATOM 0 HA THR B 26 -3.936 -29.445 -4.378 1.00 12.47 H new ATOM 0 HB THR B 26 -2.354 -30.649 -6.545 1.00 12.87 H new ATOM 0 HG1 THR B 26 -3.843 -32.456 -6.786 1.00 13.71 H new ATOM 0 HG21 THR B 26 -2.281 -32.545 -4.969 1.00 12.94 H new ATOM 0 HG22 THR B 26 -1.891 -31.006 -4.164 1.00 12.94 H new ATOM 0 HG23 THR B 26 -3.498 -31.741 -3.950 1.00 12.94 H new ATOM 1650 N ALA B 27 -2.565 -27.431 -4.858 1.00 11.17 N ATOM 1651 CA ALA B 27 -1.641 -26.327 -5.046 1.00 10.52 C ATOM 1652 C ALA B 27 -0.948 -25.998 -3.736 1.00 9.95 C ATOM 1653 O ALA B 27 -1.555 -25.421 -2.831 1.00 9.71 O ATOM 1654 CB ALA B 27 -2.370 -25.105 -5.586 1.00 10.28 C ATOM 0 H ALA B 27 -3.040 -27.431 -3.955 1.00 11.17 H new ATOM 0 HA ALA B 27 -0.887 -26.624 -5.775 1.00 10.52 H new ATOM 0 HB1 ALA B 27 -1.661 -24.288 -5.720 1.00 10.28 H new ATOM 0 HB2 ALA B 27 -2.828 -25.349 -6.544 1.00 10.28 H new ATOM 0 HB3 ALA B 27 -3.144 -24.802 -4.881 1.00 10.28 H new ATOM 1660 N PRO B 28 0.313 -26.425 -3.586 1.00 9.96 N ATOM 1661 CA PRO B 28 1.081 -26.206 -2.366 1.00 9.63 C ATOM 1662 C PRO B 28 1.761 -24.839 -2.356 1.00 8.60 C ATOM 1663 O PRO B 28 1.472 -23.982 -3.196 1.00 8.30 O ATOM 1664 CB PRO B 28 2.120 -27.321 -2.422 1.00 10.21 C ATOM 1665 CG PRO B 28 2.373 -27.522 -3.878 1.00 10.68 C ATOM 1666 CD PRO B 28 1.083 -27.191 -4.589 1.00 10.54 C ATOM 0 HA PRO B 28 0.461 -26.220 -1.470 1.00 9.63 H new ATOM 0 HB2 PRO B 28 3.032 -27.040 -1.896 1.00 10.21 H new ATOM 0 HB3 PRO B 28 1.749 -28.233 -1.954 1.00 10.21 H new ATOM 0 HG2 PRO B 28 3.182 -26.878 -4.223 1.00 10.68 H new ATOM 0 HG3 PRO B 28 2.675 -28.550 -4.081 1.00 10.68 H new ATOM 0 HD2 PRO B 28 1.262 -26.604 -5.490 1.00 10.54 H new ATOM 0 HD3 PRO B 28 0.553 -28.093 -4.897 1.00 10.54 H new ATOM 1674 N VAL B 29 2.675 -24.646 -1.417 1.00 8.25 N ATOM 1675 CA VAL B 29 3.427 -23.406 -1.322 1.00 7.38 C ATOM 1676 C VAL B 29 4.460 -23.317 -2.447 1.00 6.86 C ATOM 1677 O VAL B 29 4.994 -24.335 -2.900 1.00 6.83 O ATOM 1678 CB VAL B 29 4.125 -23.276 0.057 1.00 7.36 C ATOM 1679 CG1 VAL B 29 5.144 -24.390 0.267 1.00 7.30 C ATOM 1680 CG2 VAL B 29 4.776 -21.907 0.215 1.00 8.00 C ATOM 0 H VAL B 29 2.914 -25.338 -0.706 1.00 8.25 H new ATOM 0 HA VAL B 29 2.722 -22.581 -1.425 1.00 7.38 H new ATOM 0 HB VAL B 29 3.359 -23.375 0.826 1.00 7.36 H new ATOM 0 HG11 VAL B 29 5.616 -24.272 1.242 1.00 7.30 H new ATOM 0 HG12 VAL B 29 4.641 -25.356 0.222 1.00 7.30 H new ATOM 0 HG13 VAL B 29 5.904 -24.340 -0.513 1.00 7.30 H new ATOM 0 HG21 VAL B 29 5.258 -21.844 1.191 1.00 8.00 H new ATOM 0 HG22 VAL B 29 5.521 -21.766 -0.568 1.00 8.00 H new ATOM 0 HG23 VAL B 29 4.015 -21.131 0.135 1.00 8.00 H new ATOM 1690 N SER B 30 4.696 -22.109 -2.932 1.00 6.76 N ATOM 1691 CA SER B 30 5.642 -21.887 -4.013 1.00 6.54 C ATOM 1692 C SER B 30 7.074 -21.893 -3.487 1.00 5.55 C ATOM 1693 O SER B 30 7.303 -21.931 -2.277 1.00 5.55 O ATOM 1694 CB SER B 30 5.337 -20.549 -4.687 1.00 7.31 C ATOM 1695 OG SER B 30 4.105 -20.019 -4.216 1.00 8.13 O ATOM 0 H SER B 30 4.242 -21.262 -2.591 1.00 6.76 H new ATOM 0 HA SER B 30 5.543 -22.693 -4.740 1.00 6.54 H new ATOM 0 HB2 SER B 30 6.143 -19.843 -4.486 1.00 7.31 H new ATOM 0 HB3 SER B 30 5.292 -20.682 -5.768 1.00 7.31 H new ATOM 0 HG SER B 30 4.004 -19.097 -4.531 1.00 8.13 H new ATOM 1701 N SER B 31 8.034 -21.840 -4.393 1.00 5.05 N ATOM 1702 CA SER B 31 9.433 -21.799 -4.016 1.00 4.38 C ATOM 1703 C SER B 31 10.045 -20.470 -4.430 1.00 3.76 C ATOM 1704 O SER B 31 10.704 -20.374 -5.466 1.00 4.12 O ATOM 1705 CB SER B 31 10.182 -22.961 -4.664 1.00 4.89 C ATOM 1706 OG SER B 31 9.281 -23.973 -5.089 1.00 5.76 O ATOM 0 H SER B 31 7.868 -21.824 -5.399 1.00 5.05 H new ATOM 0 HA SER B 31 9.515 -21.895 -2.933 1.00 4.38 H new ATOM 0 HB2 SER B 31 10.756 -22.598 -5.517 1.00 4.89 H new ATOM 0 HB3 SER B 31 10.896 -23.379 -3.954 1.00 4.89 H new ATOM 0 HG SER B 31 9.784 -24.706 -5.502 1.00 5.76 H new ATOM 1712 N GLY B 32 9.775 -19.439 -3.643 1.00 3.21 N ATOM 1713 CA GLY B 32 10.274 -18.118 -3.958 1.00 3.08 C ATOM 1714 C GLY B 32 9.465 -17.443 -5.043 1.00 2.11 C ATOM 1715 O GLY B 32 9.959 -17.219 -6.145 1.00 2.56 O ATOM 0 H GLY B 32 9.218 -19.495 -2.790 1.00 3.21 H new ATOM 0 HA2 GLY B 32 10.258 -17.502 -3.059 1.00 3.08 H new ATOM 0 HA3 GLY B 32 11.314 -18.191 -4.275 1.00 3.08 H new ATOM 1719 N LYS B 33 8.226 -17.105 -4.726 1.00 1.35 N ATOM 1720 CA LYS B 33 7.357 -16.421 -5.671 1.00 0.80 C ATOM 1721 C LYS B 33 7.534 -14.910 -5.544 1.00 0.59 C ATOM 1722 O LYS B 33 8.499 -14.440 -4.935 1.00 0.58 O ATOM 1723 CB LYS B 33 5.898 -16.810 -5.418 1.00 1.23 C ATOM 1724 CG LYS B 33 5.137 -17.184 -6.678 1.00 2.23 C ATOM 1725 CD LYS B 33 3.754 -16.558 -6.697 1.00 3.13 C ATOM 1726 CE LYS B 33 2.675 -17.598 -6.950 1.00 4.15 C ATOM 1727 NZ LYS B 33 1.329 -17.116 -6.535 1.00 4.99 N ATOM 0 H LYS B 33 7.798 -17.293 -3.819 1.00 1.35 H new ATOM 0 HA LYS B 33 7.627 -16.720 -6.684 1.00 0.80 H new ATOM 0 HB2 LYS B 33 5.871 -17.651 -4.725 1.00 1.23 H new ATOM 0 HB3 LYS B 33 5.389 -15.978 -4.930 1.00 1.23 H new ATOM 0 HG2 LYS B 33 5.698 -16.857 -7.554 1.00 2.23 H new ATOM 0 HG3 LYS B 33 5.048 -18.268 -6.743 1.00 2.23 H new ATOM 0 HD2 LYS B 33 3.566 -16.061 -5.746 1.00 3.13 H new ATOM 0 HD3 LYS B 33 3.711 -15.792 -7.471 1.00 3.13 H new ATOM 0 HE2 LYS B 33 2.658 -17.853 -8.010 1.00 4.15 H new ATOM 0 HE3 LYS B 33 2.917 -18.511 -6.406 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 0.622 -17.855 -6.724 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 1.337 -16.897 -5.518 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 1.086 -16.259 -7.072 1.00 4.99 H new ATOM 1741 N ILE B 34 6.585 -14.156 -6.078 1.00 0.67 N ATOM 1742 CA ILE B 34 6.622 -12.702 -5.998 1.00 0.59 C ATOM 1743 C ILE B 34 5.267 -12.152 -5.564 1.00 0.57 C ATOM 1744 O ILE B 34 4.251 -12.847 -5.645 1.00 0.68 O ATOM 1745 CB ILE B 34 7.025 -12.052 -7.342 1.00 0.78 C ATOM 1746 CG1 ILE B 34 7.385 -13.116 -8.384 1.00 1.38 C ATOM 1747 CG2 ILE B 34 8.195 -11.104 -7.136 1.00 1.45 C ATOM 1748 CD1 ILE B 34 6.683 -12.931 -9.710 1.00 1.92 C ATOM 0 H ILE B 34 5.775 -14.529 -6.574 1.00 0.67 H new ATOM 0 HA ILE B 34 7.380 -12.450 -5.256 1.00 0.59 H new ATOM 0 HB ILE B 34 6.170 -11.488 -7.715 1.00 0.78 H new ATOM 0 HG12 ILE B 34 8.462 -13.101 -8.548 1.00 1.38 H new ATOM 0 HG13 ILE B 34 7.137 -14.100 -7.986 1.00 1.38 H new ATOM 0 HG21 ILE B 34 8.470 -10.652 -8.089 1.00 1.45 H new ATOM 0 HG22 ILE B 34 7.910 -10.322 -6.433 1.00 1.45 H new ATOM 0 HG23 ILE B 34 9.046 -11.657 -6.738 1.00 1.45 H new ATOM 0 HD11 ILE B 34 6.988 -13.721 -10.396 1.00 1.92 H new ATOM 0 HD12 ILE B 34 5.604 -12.976 -9.560 1.00 1.92 H new ATOM 0 HD13 ILE B 34 6.950 -11.962 -10.131 1.00 1.92 H new ATOM 1760 N LYS B 35 5.279 -10.943 -5.028 1.00 0.54 N ATOM 1761 CA LYS B 35 4.086 -10.309 -4.489 1.00 0.58 C ATOM 1762 C LYS B 35 3.958 -8.888 -5.025 1.00 0.59 C ATOM 1763 O LYS B 35 4.962 -8.216 -5.243 1.00 0.67 O ATOM 1764 CB LYS B 35 4.163 -10.283 -2.962 1.00 0.70 C ATOM 1765 CG LYS B 35 4.045 -11.656 -2.320 1.00 0.94 C ATOM 1766 CD LYS B 35 2.596 -12.047 -2.090 1.00 1.25 C ATOM 1767 CE LYS B 35 2.295 -13.422 -2.664 1.00 1.12 C ATOM 1768 NZ LYS B 35 2.173 -14.451 -1.600 1.00 1.30 N ATOM 0 H LYS B 35 6.120 -10.371 -4.954 1.00 0.54 H new ATOM 0 HA LYS B 35 3.210 -10.881 -4.797 1.00 0.58 H new ATOM 0 HB2 LYS B 35 5.109 -9.832 -2.663 1.00 0.70 H new ATOM 0 HB3 LYS B 35 3.369 -9.643 -2.578 1.00 0.70 H new ATOM 0 HG2 LYS B 35 4.525 -12.398 -2.958 1.00 0.94 H new ATOM 0 HG3 LYS B 35 4.578 -11.660 -1.369 1.00 0.94 H new ATOM 0 HD2 LYS B 35 2.381 -12.042 -1.021 1.00 1.25 H new ATOM 0 HD3 LYS B 35 1.941 -11.308 -2.550 1.00 1.25 H new ATOM 0 HE2 LYS B 35 1.369 -13.381 -3.238 1.00 1.12 H new ATOM 0 HE3 LYS B 35 3.087 -13.708 -3.356 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 2.137 -15.396 -2.033 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 2.994 -14.392 -0.965 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 1.302 -14.286 -1.056 1.00 1.30 H new ATOM 1782 N ARG B 36 2.730 -8.430 -5.224 1.00 0.63 N ATOM 1783 CA ARG B 36 2.492 -7.092 -5.756 1.00 0.65 C ATOM 1784 C ARG B 36 1.953 -6.165 -4.676 1.00 0.63 C ATOM 1785 O ARG B 36 0.837 -6.346 -4.184 1.00 0.77 O ATOM 1786 CB ARG B 36 1.506 -7.147 -6.926 1.00 0.72 C ATOM 1787 CG ARG B 36 1.908 -8.110 -8.030 1.00 1.52 C ATOM 1788 CD ARG B 36 1.139 -9.416 -7.930 1.00 1.83 C ATOM 1789 NE ARG B 36 -0.042 -9.432 -8.788 1.00 2.61 N ATOM 1790 CZ ARG B 36 -0.582 -10.541 -9.287 1.00 3.31 C ATOM 1791 NH1 ARG B 36 -0.062 -11.725 -8.995 1.00 3.37 N ATOM 1792 NH2 ARG B 36 -1.645 -10.464 -10.080 1.00 4.33 N ATOM 0 H ARG B 36 1.883 -8.963 -5.026 1.00 0.63 H new ATOM 0 HA ARG B 36 3.445 -6.700 -6.110 1.00 0.65 H new ATOM 0 HB2 ARG B 36 0.525 -7.434 -6.547 1.00 0.72 H new ATOM 0 HB3 ARG B 36 1.405 -6.148 -7.349 1.00 0.72 H new ATOM 0 HG2 ARG B 36 1.724 -7.651 -9.001 1.00 1.52 H new ATOM 0 HG3 ARG B 36 2.978 -8.310 -7.970 1.00 1.52 H new ATOM 0 HD2 ARG B 36 1.795 -10.243 -8.203 1.00 1.83 H new ATOM 0 HD3 ARG B 36 0.836 -9.578 -6.896 1.00 1.83 H new ATOM 0 HE ARG B 36 -0.479 -8.540 -9.019 1.00 2.61 H new ATOM 0 HH11 ARG B 36 0.754 -11.787 -8.386 1.00 3.37 H new ATOM 0 HH12 ARG B 36 -0.478 -12.573 -9.379 1.00 3.37 H new ATOM 0 HH21 ARG B 36 -2.047 -9.555 -10.307 1.00 4.33 H new ATOM 0 HH22 ARG B 36 -2.059 -11.314 -10.462 1.00 4.33 H new ATOM 1806 N VAL B 37 2.744 -5.164 -4.319 1.00 0.53 N ATOM 1807 CA VAL B 37 2.343 -4.186 -3.314 1.00 0.56 C ATOM 1808 C VAL B 37 2.331 -2.787 -3.913 1.00 0.49 C ATOM 1809 O VAL B 37 3.330 -2.334 -4.474 1.00 0.49 O ATOM 1810 CB VAL B 37 3.287 -4.203 -2.088 1.00 0.71 C ATOM 1811 CG1 VAL B 37 2.655 -3.467 -0.913 1.00 0.92 C ATOM 1812 CG2 VAL B 37 3.644 -5.629 -1.694 1.00 1.36 C ATOM 0 H VAL B 37 3.672 -5.006 -4.712 1.00 0.53 H new ATOM 0 HA VAL B 37 1.341 -4.458 -2.982 1.00 0.56 H new ATOM 0 HB VAL B 37 4.207 -3.687 -2.365 1.00 0.71 H new ATOM 0 HG11 VAL B 37 3.335 -3.490 -0.061 1.00 0.92 H new ATOM 0 HG12 VAL B 37 2.461 -2.432 -1.194 1.00 0.92 H new ATOM 0 HG13 VAL B 37 1.717 -3.952 -0.642 1.00 0.92 H new ATOM 0 HG21 VAL B 37 4.308 -5.612 -0.830 1.00 1.36 H new ATOM 0 HG22 VAL B 37 2.735 -6.175 -1.442 1.00 1.36 H new ATOM 0 HG23 VAL B 37 4.145 -6.122 -2.527 1.00 1.36 H new ATOM 1822 N ASN B 38 1.215 -2.088 -3.764 1.00 0.54 N ATOM 1823 CA ASN B 38 1.111 -0.723 -4.261 1.00 0.54 C ATOM 1824 C ASN B 38 1.207 0.263 -3.111 1.00 0.52 C ATOM 1825 O ASN B 38 0.417 0.214 -2.166 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.197 -0.507 -5.020 1.00 0.66 C ATOM 1827 CG ASN B 38 -0.088 0.635 -6.011 1.00 0.92 C ATOM 1828 OD1 ASN B 38 -0.541 1.749 -5.752 1.00 1.67 O ATOM 1829 ND2 ASN B 38 0.516 0.362 -7.154 1.00 1.37 N ATOM 0 H ASN B 38 0.374 -2.440 -3.306 1.00 0.54 H new ATOM 0 HA ASN B 38 1.938 -0.555 -4.951 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.467 -1.422 -5.547 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -0.999 -0.299 -4.312 1.00 0.66 H new ATOM 0 HD21 ASN B 38 0.621 1.089 -7.862 1.00 1.37 H new ATOM 0 HD22 ASN B 38 0.877 -0.576 -7.329 1.00 1.37 H new ATOM 1836 N VAL B 39 2.217 1.111 -3.165 1.00 0.48 N ATOM 1837 CA VAL B 39 2.466 2.077 -2.108 1.00 0.49 C ATOM 1838 C VAL B 39 2.281 3.494 -2.629 1.00 0.46 C ATOM 1839 O VAL B 39 2.498 3.763 -3.811 1.00 0.48 O ATOM 1840 CB VAL B 39 3.889 1.928 -1.535 1.00 0.54 C ATOM 1841 CG1 VAL B 39 3.928 2.368 -0.079 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.382 0.494 -1.676 1.00 0.54 C ATOM 0 H VAL B 39 2.884 1.151 -3.936 1.00 0.48 H new ATOM 0 HA VAL B 39 1.747 1.883 -1.312 1.00 0.49 H new ATOM 0 HB VAL B 39 4.556 2.573 -2.107 1.00 0.54 H new ATOM 0 HG11 VAL B 39 4.941 2.256 0.308 1.00 0.77 H new ATOM 0 HG12 VAL B 39 3.626 3.413 -0.006 1.00 0.77 H new ATOM 0 HG13 VAL B 39 3.246 1.751 0.506 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.388 0.413 -1.265 1.00 0.54 H new ATOM 0 HG22 VAL B 39 3.714 -0.175 -1.134 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.397 0.217 -2.730 1.00 0.54 H new ATOM 1852 N ASN B 40 1.866 4.390 -1.746 1.00 0.52 N ATOM 1853 CA ASN B 40 1.640 5.776 -2.120 1.00 0.57 C ATOM 1854 C ASN B 40 2.710 6.671 -1.509 1.00 0.56 C ATOM 1855 O ASN B 40 2.731 6.898 -0.298 1.00 0.72 O ATOM 1856 CB ASN B 40 0.245 6.225 -1.670 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.757 6.277 -2.814 1.00 1.47 C ATOM 1858 OD1 ASN B 40 -1.898 5.838 -2.676 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -0.341 6.808 -3.954 1.00 1.99 N ATOM 0 H ASN B 40 1.679 4.181 -0.765 1.00 0.52 H new ATOM 0 HA ASN B 40 1.699 5.859 -3.205 1.00 0.57 H new ATOM 0 HB2 ASN B 40 -0.121 5.542 -0.903 1.00 0.77 H new ATOM 0 HB3 ASN B 40 0.316 7.211 -1.211 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -0.974 6.862 -4.752 1.00 1.99 H new ATOM 0 HD22 ASN B 40 0.612 7.163 -4.034 1.00 1.99 H new ATOM 1866 N PHE B 41 3.608 7.162 -2.348 1.00 0.48 N ATOM 1867 CA PHE B 41 4.694 8.022 -1.902 1.00 0.55 C ATOM 1868 C PHE B 41 4.416 9.470 -2.287 1.00 0.60 C ATOM 1869 O PHE B 41 3.605 9.739 -3.171 1.00 0.76 O ATOM 1870 CB PHE B 41 6.021 7.579 -2.521 1.00 0.66 C ATOM 1871 CG PHE B 41 6.322 6.116 -2.355 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.546 5.583 -1.098 1.00 1.04 C ATOM 1873 CD2 PHE B 41 6.371 5.273 -3.454 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.813 4.237 -0.937 1.00 1.08 C ATOM 1875 CE2 PHE B 41 6.641 3.928 -3.299 1.00 1.26 C ATOM 1876 CZ PHE B 41 6.893 3.414 -2.060 1.00 0.93 C ATOM 0 H PHE B 41 3.606 6.978 -3.351 1.00 0.48 H new ATOM 0 HA PHE B 41 4.763 7.944 -0.817 1.00 0.55 H new ATOM 0 HB2 PHE B 41 6.010 7.818 -3.585 1.00 0.66 H new ATOM 0 HB3 PHE B 41 6.829 8.157 -2.073 1.00 0.66 H new ATOM 0 HD1 PHE B 41 6.512 6.227 -0.232 1.00 1.04 H new ATOM 0 HD2 PHE B 41 6.196 5.672 -4.442 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.959 3.825 0.051 1.00 1.08 H new ATOM 0 HE2 PHE B 41 6.653 3.279 -4.162 1.00 1.26 H new ATOM 0 HZ PHE B 41 7.154 2.372 -1.949 1.00 0.93 H new ATOM 1886 N ASP B 42 5.122 10.390 -1.652 1.00 0.56 N ATOM 1887 CA ASP B 42 4.984 11.810 -1.955 1.00 0.59 C ATOM 1888 C ASP B 42 5.572 12.136 -3.328 1.00 0.54 C ATOM 1889 O ASP B 42 6.314 11.337 -3.904 1.00 0.51 O ATOM 1890 CB ASP B 42 5.689 12.643 -0.882 1.00 0.68 C ATOM 1891 CG ASP B 42 5.379 14.121 -0.987 1.00 1.22 C ATOM 1892 OD1 ASP B 42 4.318 14.547 -0.500 1.00 2.03 O ATOM 1893 OD2 ASP B 42 6.194 14.862 -1.578 1.00 1.66 O ATOM 0 H ASP B 42 5.800 10.181 -0.920 1.00 0.56 H new ATOM 0 HA ASP B 42 3.922 12.054 -1.967 1.00 0.59 H new ATOM 0 HB2 ASP B 42 5.392 12.284 0.103 1.00 0.68 H new ATOM 0 HB3 ASP B 42 6.766 12.496 -0.964 1.00 0.68 H new ATOM 1898 N GLU B 43 5.306 13.345 -3.805 1.00 0.63 N ATOM 1899 CA GLU B 43 5.866 13.824 -5.059 1.00 0.67 C ATOM 1900 C GLU B 43 7.383 13.891 -4.969 1.00 0.56 C ATOM 1901 O GLU B 43 8.084 13.471 -5.890 1.00 0.60 O ATOM 1902 CB GLU B 43 5.301 15.203 -5.402 1.00 0.87 C ATOM 1903 CG GLU B 43 4.469 15.220 -6.671 1.00 1.09 C ATOM 1904 CD GLU B 43 5.311 15.426 -7.915 1.00 1.11 C ATOM 1905 OE1 GLU B 43 5.840 16.544 -8.106 1.00 1.63 O ATOM 1906 OE2 GLU B 43 5.452 14.472 -8.704 1.00 1.73 O ATOM 0 H GLU B 43 4.699 14.017 -3.335 1.00 0.63 H new ATOM 0 HA GLU B 43 5.591 13.125 -5.849 1.00 0.67 H new ATOM 0 HB2 GLU B 43 4.688 15.552 -4.571 1.00 0.87 H new ATOM 0 HB3 GLU B 43 6.125 15.908 -5.509 1.00 0.87 H new ATOM 0 HG2 GLU B 43 3.924 14.280 -6.757 1.00 1.09 H new ATOM 0 HG3 GLU B 43 3.726 16.014 -6.604 1.00 1.09 H new ATOM 1913 N GLU B 44 7.881 14.335 -3.818 1.00 0.52 N ATOM 1914 CA GLU B 44 9.317 14.388 -3.565 1.00 0.54 C ATOM 1915 C GLU B 44 9.939 13.010 -3.704 1.00 0.53 C ATOM 1916 O GLU B 44 11.020 12.851 -4.269 1.00 0.57 O ATOM 1917 CB GLU B 44 9.589 14.902 -2.158 1.00 0.62 C ATOM 1918 CG GLU B 44 10.593 16.038 -2.106 1.00 0.91 C ATOM 1919 CD GLU B 44 9.948 17.394 -2.284 1.00 1.74 C ATOM 1920 OE1 GLU B 44 9.240 17.594 -3.291 1.00 2.52 O ATOM 1921 OE2 GLU B 44 10.152 18.274 -1.418 1.00 2.36 O ATOM 0 H GLU B 44 7.307 14.665 -3.042 1.00 0.52 H new ATOM 0 HA GLU B 44 9.758 15.063 -4.299 1.00 0.54 H new ATOM 0 HB2 GLU B 44 8.651 15.238 -1.716 1.00 0.62 H new ATOM 0 HB3 GLU B 44 9.954 14.078 -1.544 1.00 0.62 H new ATOM 0 HG2 GLU B 44 11.116 16.012 -1.150 1.00 0.91 H new ATOM 0 HG3 GLU B 44 11.342 15.891 -2.884 1.00 0.91 H new ATOM 1928 N LYS B 45 9.236 12.016 -3.187 1.00 0.52 N ATOM 1929 CA LYS B 45 9.703 10.642 -3.216 1.00 0.56 C ATOM 1930 C LYS B 45 9.781 10.133 -4.645 1.00 0.55 C ATOM 1931 O LYS B 45 10.652 9.340 -4.984 1.00 0.59 O ATOM 1932 CB LYS B 45 8.763 9.762 -2.396 1.00 0.61 C ATOM 1933 CG LYS B 45 8.817 10.042 -0.907 1.00 0.75 C ATOM 1934 CD LYS B 45 8.675 8.769 -0.095 1.00 0.96 C ATOM 1935 CE LYS B 45 9.407 8.872 1.230 1.00 1.30 C ATOM 1936 NZ LYS B 45 8.467 8.916 2.383 1.00 1.74 N ATOM 0 H LYS B 45 8.329 12.139 -2.737 1.00 0.52 H new ATOM 0 HA LYS B 45 10.703 10.602 -2.783 1.00 0.56 H new ATOM 0 HB2 LYS B 45 7.742 9.908 -2.748 1.00 0.61 H new ATOM 0 HB3 LYS B 45 9.014 8.716 -2.570 1.00 0.61 H new ATOM 0 HG2 LYS B 45 9.761 10.528 -0.661 1.00 0.75 H new ATOM 0 HG3 LYS B 45 8.022 10.737 -0.638 1.00 0.75 H new ATOM 0 HD2 LYS B 45 7.619 8.567 0.086 1.00 0.96 H new ATOM 0 HD3 LYS B 45 9.068 7.927 -0.665 1.00 0.96 H new ATOM 0 HE2 LYS B 45 10.078 8.020 1.341 1.00 1.30 H new ATOM 0 HE3 LYS B 45 10.027 9.768 1.233 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 8.932 8.520 3.225 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 8.193 9.902 2.570 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 7.619 8.357 2.161 1.00 1.74 H new ATOM 1950 N HIS B 46 8.906 10.646 -5.492 1.00 0.52 N ATOM 1951 CA HIS B 46 8.895 10.256 -6.895 1.00 0.55 C ATOM 1952 C HIS B 46 10.003 10.963 -7.664 1.00 0.56 C ATOM 1953 O HIS B 46 10.694 10.343 -8.473 1.00 0.58 O ATOM 1954 CB HIS B 46 7.538 10.557 -7.534 1.00 0.59 C ATOM 1955 CG HIS B 46 7.393 9.993 -8.914 1.00 0.70 C ATOM 1956 ND1 HIS B 46 7.351 10.779 -10.045 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.290 8.713 -9.343 1.00 0.81 C ATOM 1958 CE1 HIS B 46 7.228 10.008 -11.108 1.00 1.07 C ATOM 1959 NE2 HIS B 46 7.191 8.751 -10.713 1.00 0.99 N ATOM 0 H HIS B 46 8.195 11.331 -5.236 1.00 0.52 H new ATOM 0 HA HIS B 46 9.071 9.181 -6.942 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.748 10.154 -6.900 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.395 11.637 -7.574 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.286 7.828 -8.724 1.00 0.81 H new ATOM 0 HE1 HIS B 46 7.168 10.349 -12.131 1.00 1.07 H new ATOM 0 HE2 HIS B 46 7.103 7.939 -11.324 1.00 0.99 H new ATOM 1968 N THR B 47 10.183 12.250 -7.401 1.00 0.59 N ATOM 1969 CA THR B 47 11.230 13.019 -8.060 1.00 0.64 C ATOM 1970 C THR B 47 12.608 12.492 -7.669 1.00 0.62 C ATOM 1971 O THR B 47 13.465 12.263 -8.528 1.00 0.65 O ATOM 1972 CB THR B 47 11.125 14.517 -7.717 1.00 0.71 C ATOM 1973 OG1 THR B 47 9.744 14.900 -7.642 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.831 15.364 -8.764 1.00 0.79 C ATOM 0 H THR B 47 9.620 12.782 -6.738 1.00 0.59 H new ATOM 0 HA THR B 47 11.096 12.904 -9.136 1.00 0.64 H new ATOM 0 HB THR B 47 11.607 14.684 -6.754 1.00 0.71 H new ATOM 0 HG1 THR B 47 9.680 15.853 -7.422 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.743 16.418 -8.499 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.884 15.087 -8.806 1.00 0.79 H new ATOM 0 HG23 THR B 47 11.373 15.195 -9.738 1.00 0.79 H new ATOM 1982 N ARG B 48 12.771 12.187 -6.387 1.00 0.59 N ATOM 1983 CA ARG B 48 14.002 11.583 -5.895 1.00 0.61 C ATOM 1984 C ARG B 48 14.189 10.193 -6.494 1.00 0.54 C ATOM 1985 O ARG B 48 15.298 9.812 -6.865 1.00 0.56 O ATOM 1986 CB ARG B 48 13.980 11.493 -4.371 1.00 0.66 C ATOM 1987 CG ARG B 48 15.349 11.654 -3.728 1.00 0.93 C ATOM 1988 CD ARG B 48 15.254 12.357 -2.384 1.00 1.46 C ATOM 1989 NE ARG B 48 16.545 12.416 -1.700 1.00 1.67 N ATOM 1990 CZ ARG B 48 16.756 13.045 -0.546 1.00 1.70 C ATOM 1991 NH1 ARG B 48 15.774 13.722 0.038 1.00 1.82 N ATOM 1992 NH2 ARG B 48 17.955 13.004 0.018 1.00 2.26 N ATOM 0 H ARG B 48 12.065 12.349 -5.669 1.00 0.59 H new ATOM 0 HA ARG B 48 14.838 12.213 -6.199 1.00 0.61 H new ATOM 0 HB2 ARG B 48 13.313 12.261 -3.980 1.00 0.66 H new ATOM 0 HB3 ARG B 48 13.563 10.529 -4.079 1.00 0.66 H new ATOM 0 HG2 ARG B 48 15.807 10.674 -3.596 1.00 0.93 H new ATOM 0 HG3 ARG B 48 15.999 12.223 -4.392 1.00 0.93 H new ATOM 0 HD2 ARG B 48 14.876 13.369 -2.531 1.00 1.46 H new ATOM 0 HD3 ARG B 48 14.534 11.836 -1.753 1.00 1.46 H new ATOM 0 HE ARG B 48 17.337 11.944 -2.136 1.00 1.67 H new ATOM 0 HH11 ARG B 48 14.853 13.762 -0.398 1.00 1.82 H new ATOM 0 HH12 ARG B 48 15.941 14.202 0.922 1.00 1.82 H new ATOM 0 HH21 ARG B 48 18.713 12.491 -0.432 1.00 2.26 H new ATOM 0 HH22 ARG B 48 18.119 13.485 0.902 1.00 2.26 H new ATOM 2006 N PHE B 49 13.091 9.458 -6.630 1.00 0.49 N ATOM 2007 CA PHE B 49 13.128 8.121 -7.210 1.00 0.45 C ATOM 2008 C PHE B 49 13.555 8.171 -8.670 1.00 0.47 C ATOM 2009 O PHE B 49 14.318 7.325 -9.123 1.00 0.48 O ATOM 2010 CB PHE B 49 11.763 7.442 -7.090 1.00 0.48 C ATOM 2011 CG PHE B 49 11.761 6.263 -6.161 1.00 0.38 C ATOM 2012 CD1 PHE B 49 12.932 5.573 -5.890 1.00 0.83 C ATOM 2013 CD2 PHE B 49 10.586 5.844 -5.559 1.00 1.06 C ATOM 2014 CE1 PHE B 49 12.932 4.489 -5.037 1.00 0.87 C ATOM 2015 CE2 PHE B 49 10.581 4.761 -4.705 1.00 1.27 C ATOM 2016 CZ PHE B 49 11.755 4.081 -4.445 1.00 0.85 C ATOM 0 H PHE B 49 12.162 9.767 -6.345 1.00 0.49 H new ATOM 0 HA PHE B 49 13.862 7.538 -6.654 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.033 8.172 -6.740 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.440 7.116 -8.079 1.00 0.48 H new ATOM 0 HD1 PHE B 49 13.856 5.888 -6.352 1.00 0.83 H new ATOM 0 HD2 PHE B 49 9.665 6.370 -5.760 1.00 1.06 H new ATOM 0 HE1 PHE B 49 13.852 3.961 -4.833 1.00 0.87 H new ATOM 0 HE2 PHE B 49 9.659 4.445 -4.240 1.00 1.27 H new ATOM 0 HZ PHE B 49 11.751 3.231 -3.779 1.00 0.85 H new ATOM 2026 N LYS B 50 13.089 9.186 -9.388 1.00 0.50 N ATOM 2027 CA LYS B 50 13.457 9.368 -10.789 1.00 0.54 C ATOM 2028 C LYS B 50 14.965 9.544 -10.915 1.00 0.53 C ATOM 2029 O LYS B 50 15.620 8.860 -11.707 1.00 0.52 O ATOM 2030 CB LYS B 50 12.738 10.584 -11.370 1.00 0.63 C ATOM 2031 CG LYS B 50 11.434 10.245 -12.076 1.00 0.91 C ATOM 2032 CD LYS B 50 11.584 10.314 -13.587 1.00 1.54 C ATOM 2033 CE LYS B 50 11.370 11.728 -14.105 1.00 2.02 C ATOM 2034 NZ LYS B 50 12.500 12.183 -14.955 1.00 2.55 N ATOM 0 H LYS B 50 12.455 9.897 -9.024 1.00 0.50 H new ATOM 0 HA LYS B 50 13.156 8.482 -11.348 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.532 11.291 -10.567 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.402 11.085 -12.074 1.00 0.63 H new ATOM 0 HG2 LYS B 50 11.112 9.245 -11.787 1.00 0.91 H new ATOM 0 HG3 LYS B 50 10.655 10.936 -11.755 1.00 0.91 H new ATOM 0 HD2 LYS B 50 12.578 9.968 -13.871 1.00 1.54 H new ATOM 0 HD3 LYS B 50 10.866 9.641 -14.056 1.00 1.54 H new ATOM 0 HE2 LYS B 50 10.444 11.768 -14.679 1.00 2.02 H new ATOM 0 HE3 LYS B 50 11.252 12.409 -13.262 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 12.316 13.151 -15.288 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 13.379 12.169 -14.400 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 12.597 11.548 -15.773 1.00 2.55 H new ATOM 2048 N ALA B 51 15.515 10.390 -10.054 1.00 0.56 N ATOM 2049 CA ALA B 51 16.952 10.613 -9.999 1.00 0.61 C ATOM 2050 C ALA B 51 17.685 9.341 -9.592 1.00 0.57 C ATOM 2051 O ALA B 51 18.707 8.984 -10.179 1.00 0.58 O ATOM 2052 CB ALA B 51 17.267 11.738 -9.031 1.00 0.71 C ATOM 0 H ALA B 51 14.981 10.937 -9.379 1.00 0.56 H new ATOM 0 HA ALA B 51 17.295 10.896 -10.994 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.345 11.897 -8.997 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.775 12.652 -9.363 1.00 0.71 H new ATOM 0 HB3 ALA B 51 16.908 11.474 -8.037 1.00 0.71 H new ATOM 2058 N ALA B 52 17.128 8.634 -8.613 1.00 0.55 N ATOM 2059 CA ALA B 52 17.702 7.379 -8.144 1.00 0.59 C ATOM 2060 C ALA B 52 17.750 6.344 -9.263 1.00 0.51 C ATOM 2061 O ALA B 52 18.761 5.668 -9.452 1.00 0.54 O ATOM 2062 CB ALA B 52 16.900 6.847 -6.969 1.00 0.67 C ATOM 0 H ALA B 52 16.275 8.912 -8.127 1.00 0.55 H new ATOM 0 HA ALA B 52 18.725 7.572 -7.820 1.00 0.59 H new ATOM 0 HB1 ALA B 52 17.336 5.909 -6.625 1.00 0.67 H new ATOM 0 HB2 ALA B 52 16.918 7.574 -6.157 1.00 0.67 H new ATOM 0 HB3 ALA B 52 15.869 6.675 -7.280 1.00 0.67 H new ATOM 2068 N CYS B 53 16.664 6.253 -10.023 1.00 0.48 N ATOM 2069 CA CYS B 53 16.579 5.321 -11.141 1.00 0.53 C ATOM 2070 C CYS B 53 17.603 5.670 -12.216 1.00 0.50 C ATOM 2071 O CYS B 53 18.131 4.789 -12.886 1.00 0.56 O ATOM 2072 CB CYS B 53 15.172 5.331 -11.739 1.00 0.68 C ATOM 2073 SG CYS B 53 13.871 4.846 -10.584 1.00 1.15 S ATOM 0 H CYS B 53 15.826 6.817 -9.884 1.00 0.48 H new ATOM 0 HA CYS B 53 16.797 4.321 -10.765 1.00 0.53 H new ATOM 0 HB2 CYS B 53 14.956 6.332 -12.113 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.149 4.659 -12.597 1.00 0.68 H new ATOM 0 HG CYS B 53 13.790 5.724 -9.629 1.00 1.15 H new ATOM 2079 N ALA B 54 17.891 6.957 -12.362 1.00 0.51 N ATOM 2080 CA ALA B 54 18.877 7.413 -13.335 1.00 0.59 C ATOM 2081 C ALA B 54 20.287 7.132 -12.835 1.00 0.59 C ATOM 2082 O ALA B 54 21.137 6.639 -13.578 1.00 0.70 O ATOM 2083 CB ALA B 54 18.691 8.897 -13.620 1.00 0.69 C ATOM 0 H ALA B 54 17.456 7.704 -11.820 1.00 0.51 H new ATOM 0 HA ALA B 54 18.730 6.864 -14.265 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.434 9.224 -14.348 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.691 9.068 -14.020 1.00 0.69 H new ATOM 0 HB3 ALA B 54 18.814 9.463 -12.697 1.00 0.69 H new ATOM 2089 N ARG B 55 20.517 7.438 -11.562 1.00 0.55 N ATOM 2090 CA ARG B 55 21.816 7.230 -10.930 1.00 0.64 C ATOM 2091 C ARG B 55 22.194 5.753 -10.923 1.00 0.59 C ATOM 2092 O ARG B 55 23.327 5.385 -11.235 1.00 0.76 O ATOM 2093 CB ARG B 55 21.792 7.763 -9.495 1.00 0.72 C ATOM 2094 CG ARG B 55 23.030 8.555 -9.111 1.00 1.03 C ATOM 2095 CD ARG B 55 22.754 10.051 -9.105 1.00 1.37 C ATOM 2096 NE ARG B 55 21.782 10.433 -8.082 1.00 1.97 N ATOM 2097 CZ ARG B 55 20.984 11.496 -8.170 1.00 2.64 C ATOM 2098 NH1 ARG B 55 20.997 12.253 -9.262 1.00 2.89 N ATOM 2099 NH2 ARG B 55 20.161 11.787 -7.172 1.00 3.60 N ATOM 0 H ARG B 55 19.812 7.835 -10.941 1.00 0.55 H new ATOM 0 HA ARG B 55 22.563 7.773 -11.508 1.00 0.64 H new ATOM 0 HB2 ARG B 55 20.914 8.396 -9.368 1.00 0.72 H new ATOM 0 HB3 ARG B 55 21.682 6.924 -8.808 1.00 0.72 H new ATOM 0 HG2 ARG B 55 23.371 8.243 -8.124 1.00 1.03 H new ATOM 0 HG3 ARG B 55 23.836 8.335 -9.811 1.00 1.03 H new ATOM 0 HD2 ARG B 55 23.687 10.589 -8.936 1.00 1.37 H new ATOM 0 HD3 ARG B 55 22.385 10.354 -10.085 1.00 1.37 H new ATOM 0 HE ARG B 55 21.710 9.849 -7.249 1.00 1.97 H new ATOM 0 HH11 ARG B 55 21.619 12.021 -10.036 1.00 2.89 H new ATOM 0 HH12 ARG B 55 20.385 13.066 -9.326 1.00 2.89 H new ATOM 0 HH21 ARG B 55 20.140 11.198 -6.340 1.00 3.60 H new ATOM 0 HH22 ARG B 55 19.549 12.600 -7.236 1.00 3.60 H new ATOM 2113 N LYS B 56 21.244 4.912 -10.538 1.00 0.47 N ATOM 2114 CA LYS B 56 21.479 3.477 -10.449 1.00 0.52 C ATOM 2115 C LYS B 56 21.325 2.812 -11.812 1.00 0.51 C ATOM 2116 O LYS B 56 21.860 1.730 -12.050 1.00 0.60 O ATOM 2117 CB LYS B 56 20.518 2.847 -9.438 1.00 0.61 C ATOM 2118 CG LYS B 56 21.193 2.438 -8.137 1.00 0.74 C ATOM 2119 CD LYS B 56 22.049 3.559 -7.558 1.00 0.91 C ATOM 2120 CE LYS B 56 21.204 4.663 -6.939 1.00 1.62 C ATOM 2121 NZ LYS B 56 21.933 5.388 -5.866 1.00 1.85 N ATOM 0 H LYS B 56 20.300 5.200 -10.281 1.00 0.47 H new ATOM 0 HA LYS B 56 22.503 3.319 -10.110 1.00 0.52 H new ATOM 0 HB2 LYS B 56 19.719 3.555 -9.217 1.00 0.61 H new ATOM 0 HB3 LYS B 56 20.052 1.971 -9.888 1.00 0.61 H new ATOM 0 HG2 LYS B 56 20.434 2.150 -7.410 1.00 0.74 H new ATOM 0 HG3 LYS B 56 21.816 1.561 -8.312 1.00 0.74 H new ATOM 0 HD2 LYS B 56 22.719 3.149 -6.802 1.00 0.91 H new ATOM 0 HD3 LYS B 56 22.675 3.980 -8.345 1.00 0.91 H new ATOM 0 HE2 LYS B 56 20.905 5.368 -7.714 1.00 1.62 H new ATOM 0 HE3 LYS B 56 20.290 4.233 -6.529 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 21.540 6.346 -5.765 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 21.829 4.875 -4.968 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 22.941 5.452 -6.113 1.00 1.85 H new ATOM 2135 N GLY B 57 20.596 3.468 -12.705 1.00 0.46 N ATOM 2136 CA GLY B 57 20.379 2.929 -14.031 1.00 0.51 C ATOM 2137 C GLY B 57 19.511 1.689 -14.004 1.00 0.59 C ATOM 2138 O GLY B 57 19.877 0.654 -14.558 1.00 0.75 O ATOM 0 H GLY B 57 20.149 4.369 -12.532 1.00 0.46 H new ATOM 0 HA2 GLY B 57 19.909 3.687 -14.658 1.00 0.51 H new ATOM 0 HA3 GLY B 57 21.340 2.689 -14.487 1.00 0.51 H new ATOM 2142 N THR B 58 18.383 1.781 -13.320 1.00 0.63 N ATOM 2143 CA THR B 58 17.491 0.648 -13.176 1.00 0.77 C ATOM 2144 C THR B 58 16.042 1.124 -13.040 1.00 0.62 C ATOM 2145 O THR B 58 15.778 2.329 -13.025 1.00 0.57 O ATOM 2146 CB THR B 58 17.901 -0.219 -11.962 1.00 1.02 C ATOM 2147 OG1 THR B 58 17.336 -1.533 -12.061 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.475 0.430 -10.652 1.00 0.92 C ATOM 0 H THR B 58 18.065 2.632 -12.856 1.00 0.63 H new ATOM 0 HA THR B 58 17.567 0.032 -14.072 1.00 0.77 H new ATOM 0 HB THR B 58 18.988 -0.300 -11.970 1.00 1.02 H new ATOM 0 HG1 THR B 58 17.609 -2.066 -11.285 1.00 1.92 H new ATOM 0 HG21 THR B 58 17.777 -0.203 -9.817 1.00 0.92 H new ATOM 0 HG22 THR B 58 17.951 1.406 -10.558 1.00 0.92 H new ATOM 0 HG23 THR B 58 16.392 0.552 -10.642 1.00 0.92 H new ATOM 2156 N SER B 59 15.113 0.180 -13.038 1.00 0.66 N ATOM 2157 CA SER B 59 13.691 0.492 -13.005 1.00 0.66 C ATOM 2158 C SER B 59 13.227 0.867 -11.600 1.00 0.62 C ATOM 2159 O SER B 59 13.920 0.606 -10.614 1.00 0.66 O ATOM 2160 CB SER B 59 12.908 -0.708 -13.526 1.00 0.78 C ATOM 2161 OG SER B 59 13.789 -1.676 -14.075 1.00 0.87 O ATOM 0 H SER B 59 15.321 -0.818 -13.059 1.00 0.66 H new ATOM 0 HA SER B 59 13.509 1.358 -13.642 1.00 0.66 H new ATOM 0 HB2 SER B 59 12.330 -1.152 -12.716 1.00 0.78 H new ATOM 0 HB3 SER B 59 12.196 -0.384 -14.285 1.00 0.78 H new ATOM 0 HG SER B 59 13.992 -2.355 -13.398 1.00 0.87 H new ATOM 2167 N ILE B 60 12.059 1.502 -11.523 1.00 0.66 N ATOM 2168 CA ILE B 60 11.508 1.974 -10.258 1.00 0.73 C ATOM 2169 C ILE B 60 11.269 0.822 -9.281 1.00 0.76 C ATOM 2170 O ILE B 60 11.357 0.996 -8.068 1.00 0.85 O ATOM 2171 CB ILE B 60 10.194 2.765 -10.477 1.00 0.85 C ATOM 2172 CG1 ILE B 60 9.770 3.471 -9.186 1.00 0.97 C ATOM 2173 CG2 ILE B 60 9.078 1.857 -10.980 1.00 1.00 C ATOM 2174 CD1 ILE B 60 9.553 4.960 -9.350 1.00 0.91 C ATOM 0 H ILE B 60 11.472 1.702 -12.333 1.00 0.66 H new ATOM 0 HA ILE B 60 12.249 2.644 -9.821 1.00 0.73 H new ATOM 0 HB ILE B 60 10.382 3.519 -11.242 1.00 0.85 H new ATOM 0 HG12 ILE B 60 8.849 3.017 -8.819 1.00 0.97 H new ATOM 0 HG13 ILE B 60 10.532 3.306 -8.425 1.00 0.97 H new ATOM 0 HG21 ILE B 60 8.170 2.442 -11.124 1.00 1.00 H new ATOM 0 HG22 ILE B 60 9.374 1.408 -11.928 1.00 1.00 H new ATOM 0 HG23 ILE B 60 8.891 1.071 -10.249 1.00 1.00 H new ATOM 0 HD11 ILE B 60 9.255 5.392 -8.395 1.00 0.91 H new ATOM 0 HD12 ILE B 60 10.478 5.428 -9.686 1.00 0.91 H new ATOM 0 HD13 ILE B 60 8.769 5.134 -10.087 1.00 0.91 H new ATOM 2186 N THR B 61 10.995 -0.357 -9.808 1.00 0.79 N ATOM 2187 CA THR B 61 10.761 -1.514 -8.971 1.00 0.85 C ATOM 2188 C THR B 61 12.057 -2.007 -8.331 1.00 0.77 C ATOM 2189 O THR B 61 12.071 -2.478 -7.189 1.00 0.75 O ATOM 2190 CB THR B 61 10.133 -2.659 -9.781 1.00 1.01 C ATOM 2191 OG1 THR B 61 9.732 -2.180 -11.073 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.938 -3.249 -9.051 1.00 1.14 C ATOM 0 H THR B 61 10.930 -0.536 -10.810 1.00 0.79 H new ATOM 0 HA THR B 61 10.072 -1.207 -8.185 1.00 0.85 H new ATOM 0 HB THR B 61 10.880 -3.444 -9.903 1.00 1.01 H new ATOM 0 HG1 THR B 61 9.334 -2.915 -11.585 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.512 -4.057 -9.645 1.00 1.14 H new ATOM 0 HG22 THR B 61 9.258 -3.639 -8.085 1.00 1.14 H new ATOM 0 HG23 THR B 61 8.186 -2.475 -8.899 1.00 1.14 H new ATOM 2200 N ASP B 62 13.136 -1.956 -9.102 1.00 0.74 N ATOM 2201 CA ASP B 62 14.413 -2.505 -8.669 1.00 0.73 C ATOM 2202 C ASP B 62 15.083 -1.622 -7.622 1.00 0.62 C ATOM 2203 O ASP B 62 15.729 -2.126 -6.698 1.00 0.61 O ATOM 2204 CB ASP B 62 15.338 -2.708 -9.871 1.00 0.82 C ATOM 2205 CG ASP B 62 14.743 -3.651 -10.900 1.00 1.16 C ATOM 2206 OD1 ASP B 62 14.721 -4.877 -10.653 1.00 1.68 O ATOM 2207 OD2 ASP B 62 14.272 -3.171 -11.955 1.00 1.81 O ATOM 0 H ASP B 62 13.151 -1.539 -10.033 1.00 0.74 H new ATOM 0 HA ASP B 62 14.217 -3.471 -8.204 1.00 0.73 H new ATOM 0 HB2 ASP B 62 15.540 -1.744 -10.338 1.00 0.82 H new ATOM 0 HB3 ASP B 62 16.294 -3.103 -9.529 1.00 0.82 H new ATOM 2212 N VAL B 63 14.869 -0.311 -7.701 1.00 0.60 N ATOM 2213 CA VAL B 63 15.412 0.586 -6.686 1.00 0.57 C ATOM 2214 C VAL B 63 14.704 0.372 -5.353 1.00 0.56 C ATOM 2215 O VAL B 63 15.342 0.387 -4.303 1.00 0.59 O ATOM 2216 CB VAL B 63 15.333 2.081 -7.079 1.00 0.62 C ATOM 2217 CG1 VAL B 63 16.553 2.491 -7.886 1.00 0.81 C ATOM 2218 CG2 VAL B 63 14.061 2.387 -7.851 1.00 1.01 C ATOM 0 H VAL B 63 14.335 0.146 -8.440 1.00 0.60 H new ATOM 0 HA VAL B 63 16.469 0.335 -6.597 1.00 0.57 H new ATOM 0 HB VAL B 63 15.313 2.662 -6.157 1.00 0.62 H new ATOM 0 HG11 VAL B 63 16.476 3.545 -8.151 1.00 0.81 H new ATOM 0 HG12 VAL B 63 17.453 2.331 -7.292 1.00 0.81 H new ATOM 0 HG13 VAL B 63 16.607 1.891 -8.795 1.00 0.81 H new ATOM 0 HG21 VAL B 63 14.039 3.445 -8.111 1.00 1.01 H new ATOM 0 HG22 VAL B 63 14.036 1.789 -8.762 1.00 1.01 H new ATOM 0 HG23 VAL B 63 13.195 2.146 -7.235 1.00 1.01 H new ATOM 2228 N VAL B 64 13.417 0.034 -5.409 1.00 0.55 N ATOM 2229 CA VAL B 64 12.678 -0.317 -4.201 1.00 0.56 C ATOM 2230 C VAL B 64 13.204 -1.626 -3.629 1.00 0.55 C ATOM 2231 O VAL B 64 13.342 -1.782 -2.414 1.00 0.57 O ATOM 2232 CB VAL B 64 11.162 -0.443 -4.458 1.00 0.57 C ATOM 2233 CG1 VAL B 64 10.419 -0.721 -3.160 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.613 0.814 -5.113 1.00 0.67 C ATOM 0 H VAL B 64 12.870 -0.004 -6.269 1.00 0.55 H new ATOM 0 HA VAL B 64 12.829 0.492 -3.487 1.00 0.56 H new ATOM 0 HB VAL B 64 11.008 -1.281 -5.138 1.00 0.57 H new ATOM 0 HG11 VAL B 64 9.351 -0.806 -3.363 1.00 0.73 H new ATOM 0 HG12 VAL B 64 10.781 -1.653 -2.726 1.00 0.73 H new ATOM 0 HG13 VAL B 64 10.591 0.097 -2.460 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.543 0.698 -5.283 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.786 1.670 -4.460 1.00 0.67 H new ATOM 0 HG23 VAL B 64 11.116 0.977 -6.066 1.00 0.67 H new ATOM 2244 N ASN B 65 13.594 -2.530 -4.516 1.00 0.55 N ATOM 2245 CA ASN B 65 14.192 -3.791 -4.100 1.00 0.56 C ATOM 2246 C ASN B 65 15.523 -3.544 -3.387 1.00 0.56 C ATOM 2247 O ASN B 65 15.919 -4.314 -2.513 1.00 0.56 O ATOM 2248 CB ASN B 65 14.401 -4.712 -5.304 1.00 0.58 C ATOM 2249 CG ASN B 65 14.002 -6.149 -5.014 1.00 0.77 C ATOM 2250 OD1 ASN B 65 14.142 -6.636 -3.889 1.00 0.86 O ATOM 2251 ND2 ASN B 65 13.490 -6.832 -6.027 1.00 1.46 N ATOM 0 H ASN B 65 13.508 -2.415 -5.526 1.00 0.55 H new ATOM 0 HA ASN B 65 13.509 -4.279 -3.405 1.00 0.56 H new ATOM 0 HB2 ASN B 65 13.819 -4.340 -6.147 1.00 0.58 H new ATOM 0 HB3 ASN B 65 15.449 -4.683 -5.602 1.00 0.58 H new ATOM 0 HD21 ASN B 65 13.194 -7.799 -5.892 1.00 1.46 H new ATOM 0 HD22 ASN B 65 13.392 -6.391 -6.942 1.00 1.46 H new ATOM 2258 N GLN B 66 16.184 -2.446 -3.736 1.00 0.58 N ATOM 2259 CA GLN B 66 17.446 -2.072 -3.103 1.00 0.60 C ATOM 2260 C GLN B 66 17.225 -1.539 -1.687 1.00 0.58 C ATOM 2261 O GLN B 66 17.955 -1.896 -0.758 1.00 0.61 O ATOM 2262 CB GLN B 66 18.174 -1.020 -3.944 1.00 0.65 C ATOM 2263 CG GLN B 66 19.536 -1.465 -4.460 1.00 0.84 C ATOM 2264 CD GLN B 66 20.034 -2.740 -3.809 1.00 1.25 C ATOM 2265 OE1 GLN B 66 20.660 -2.707 -2.750 1.00 2.01 O ATOM 2266 NE2 GLN B 66 19.771 -3.874 -4.441 1.00 1.70 N ATOM 0 H GLN B 66 15.867 -1.797 -4.456 1.00 0.58 H new ATOM 0 HA GLN B 66 18.060 -2.970 -3.038 1.00 0.60 H new ATOM 0 HB2 GLN B 66 17.546 -0.753 -4.794 1.00 0.65 H new ATOM 0 HB3 GLN B 66 18.302 -0.118 -3.346 1.00 0.65 H new ATOM 0 HG2 GLN B 66 19.478 -1.614 -5.538 1.00 0.84 H new ATOM 0 HG3 GLN B 66 20.261 -0.669 -4.287 1.00 0.84 H new ATOM 0 HE21 GLN B 66 19.249 -3.860 -5.317 1.00 1.70 H new ATOM 0 HE22 GLN B 66 20.090 -4.761 -4.051 1.00 1.70 H new ATOM 2275 N LEU B 67 16.219 -0.689 -1.513 1.00 0.55 N ATOM 2276 CA LEU B 67 15.932 -0.139 -0.191 1.00 0.55 C ATOM 2277 C LEU B 67 15.372 -1.217 0.725 1.00 0.50 C ATOM 2278 O LEU B 67 15.747 -1.308 1.896 1.00 0.50 O ATOM 2279 CB LEU B 67 14.968 1.048 -0.251 1.00 0.57 C ATOM 2280 CG LEU B 67 14.001 1.079 -1.427 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.584 0.849 -0.943 1.00 0.97 C ATOM 2282 CD2 LEU B 67 14.101 2.408 -2.160 1.00 0.67 C ATOM 0 H LEU B 67 15.597 -0.369 -2.256 1.00 0.55 H new ATOM 0 HA LEU B 67 16.877 0.226 0.213 1.00 0.55 H new ATOM 0 HB2 LEU B 67 14.385 1.061 0.670 1.00 0.57 H new ATOM 0 HB3 LEU B 67 15.557 1.965 -0.269 1.00 0.57 H new ATOM 0 HG LEU B 67 14.268 0.281 -2.120 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.901 0.873 -1.792 1.00 0.97 H new ATOM 0 HD12 LEU B 67 12.520 -0.123 -0.453 1.00 0.97 H new ATOM 0 HD13 LEU B 67 12.310 1.631 -0.235 1.00 0.97 H new ATOM 0 HD21 LEU B 67 13.404 2.415 -2.998 1.00 0.67 H new ATOM 0 HD22 LEU B 67 13.854 3.220 -1.476 1.00 0.67 H new ATOM 0 HD23 LEU B 67 15.117 2.543 -2.532 1.00 0.67 H new ATOM 2294 N VAL B 68 14.528 -2.082 0.166 1.00 0.48 N ATOM 2295 CA VAL B 68 13.983 -3.195 0.923 1.00 0.45 C ATOM 2296 C VAL B 68 15.074 -4.227 1.198 1.00 0.42 C ATOM 2297 O VAL B 68 15.042 -4.909 2.217 1.00 0.40 O ATOM 2298 CB VAL B 68 12.779 -3.855 0.208 1.00 0.46 C ATOM 2299 CG1 VAL B 68 13.225 -4.829 -0.871 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.884 -4.553 1.217 1.00 1.07 C ATOM 0 H VAL B 68 14.211 -2.030 -0.802 1.00 0.48 H new ATOM 0 HA VAL B 68 13.615 -2.799 1.870 1.00 0.45 H new ATOM 0 HB VAL B 68 12.213 -3.063 -0.282 1.00 0.46 H new ATOM 0 HG11 VAL B 68 12.349 -5.270 -1.348 1.00 0.99 H new ATOM 0 HG12 VAL B 68 13.816 -4.299 -1.618 1.00 0.99 H new ATOM 0 HG13 VAL B 68 13.829 -5.617 -0.422 1.00 0.99 H new ATOM 0 HG21 VAL B 68 11.042 -5.012 0.700 1.00 1.07 H new ATOM 0 HG22 VAL B 68 12.454 -5.323 1.738 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.513 -3.825 1.939 1.00 1.07 H new ATOM 2310 N ASP B 69 16.103 -4.230 0.351 1.00 0.47 N ATOM 2311 CA ASP B 69 17.281 -5.068 0.563 1.00 0.49 C ATOM 2312 C ASP B 69 17.925 -4.728 1.892 1.00 0.48 C ATOM 2313 O ASP B 69 18.075 -5.584 2.767 1.00 0.49 O ATOM 2314 CB ASP B 69 18.311 -4.840 -0.549 1.00 0.60 C ATOM 2315 CG ASP B 69 18.830 -6.131 -1.146 1.00 0.84 C ATOM 2316 OD1 ASP B 69 18.007 -6.943 -1.618 1.00 1.09 O ATOM 2317 OD2 ASP B 69 20.059 -6.343 -1.148 1.00 1.46 O ATOM 0 H ASP B 69 16.143 -3.658 -0.492 1.00 0.47 H new ATOM 0 HA ASP B 69 16.961 -6.110 0.556 1.00 0.49 H new ATOM 0 HB2 ASP B 69 17.860 -4.237 -1.337 1.00 0.60 H new ATOM 0 HB3 ASP B 69 19.148 -4.268 -0.150 1.00 0.60 H new ATOM 2322 N ASN B 70 18.286 -3.462 2.031 1.00 0.55 N ATOM 2323 CA ASN B 70 18.930 -2.967 3.238 1.00 0.61 C ATOM 2324 C ASN B 70 18.094 -3.271 4.475 1.00 0.56 C ATOM 2325 O ASN B 70 18.555 -3.946 5.390 1.00 0.60 O ATOM 2326 CB ASN B 70 19.167 -1.461 3.132 1.00 0.74 C ATOM 2327 CG ASN B 70 19.973 -0.919 4.296 1.00 1.37 C ATOM 2328 OD1 ASN B 70 19.476 -0.129 5.097 1.00 1.88 O ATOM 2329 ND2 ASN B 70 21.225 -1.334 4.395 1.00 2.19 N ATOM 0 H ASN B 70 18.142 -2.751 1.314 1.00 0.55 H new ATOM 0 HA ASN B 70 19.888 -3.478 3.338 1.00 0.61 H new ATOM 0 HB2 ASN B 70 19.688 -1.243 2.200 1.00 0.74 H new ATOM 0 HB3 ASN B 70 18.207 -0.947 3.088 1.00 0.74 H new ATOM 0 HD21 ASN B 70 21.815 -0.998 5.156 1.00 2.19 H new ATOM 0 HD22 ASN B 70 21.600 -1.990 3.710 1.00 2.19 H new ATOM 2336 N TRP B 71 16.870 -2.759 4.495 1.00 0.54 N ATOM 2337 CA TRP B 71 15.989 -2.920 5.646 1.00 0.54 C ATOM 2338 C TRP B 71 15.730 -4.391 5.978 1.00 0.47 C ATOM 2339 O TRP B 71 15.862 -4.803 7.128 1.00 0.53 O ATOM 2340 CB TRP B 71 14.656 -2.208 5.398 1.00 0.57 C ATOM 2341 CG TRP B 71 13.734 -2.230 6.582 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.656 -1.293 7.572 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.760 -3.235 6.903 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.700 -1.654 8.491 1.00 0.86 N ATOM 2345 CE2 TRP B 71 12.138 -2.846 8.105 1.00 0.75 C ATOM 2346 CE3 TRP B 71 12.360 -4.431 6.293 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 11.135 -3.605 8.705 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.363 -5.184 6.887 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.763 -4.769 8.085 1.00 0.74 C ATOM 0 H TRP B 71 16.463 -2.227 3.725 1.00 0.54 H new ATOM 0 HA TRP B 71 16.496 -2.471 6.500 1.00 0.54 H new ATOM 0 HB2 TRP B 71 14.853 -1.172 5.120 1.00 0.57 H new ATOM 0 HB3 TRP B 71 14.156 -2.676 4.550 1.00 0.57 H new ATOM 0 HD1 TRP B 71 14.258 -0.398 7.625 1.00 0.81 H new ATOM 0 HE1 TRP B 71 12.449 -1.123 9.325 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.822 -4.760 5.374 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.668 -3.287 9.625 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 11.042 -6.104 6.422 1.00 0.62 H new ATOM 0 HH2 TRP B 71 9.991 -5.380 8.528 1.00 0.74 H new ATOM 2360 N LEU B 72 15.246 -5.144 5.000 1.00 0.42 N ATOM 2361 CA LEU B 72 14.794 -6.513 5.238 1.00 0.44 C ATOM 2362 C LEU B 72 15.884 -7.392 5.827 1.00 0.55 C ATOM 2363 O LEU B 72 15.600 -8.310 6.597 1.00 0.65 O ATOM 2364 CB LEU B 72 14.292 -7.139 3.944 1.00 0.50 C ATOM 2365 CG LEU B 72 13.071 -8.030 4.098 1.00 0.47 C ATOM 2366 CD1 LEU B 72 11.951 -7.547 3.196 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.430 -9.475 3.797 1.00 0.60 C ATOM 0 H LEU B 72 15.155 -4.832 4.033 1.00 0.42 H new ATOM 0 HA LEU B 72 13.984 -6.452 5.964 1.00 0.44 H new ATOM 0 HB2 LEU B 72 14.056 -6.342 3.239 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.099 -7.725 3.504 1.00 0.50 H new ATOM 0 HG LEU B 72 12.723 -7.976 5.130 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.082 -8.194 3.316 1.00 0.58 H new ATOM 0 HD12 LEU B 72 11.682 -6.525 3.465 1.00 0.58 H new ATOM 0 HD13 LEU B 72 12.283 -7.574 2.158 1.00 0.58 H new ATOM 0 HD21 LEU B 72 12.545 -10.101 3.912 1.00 0.60 H new ATOM 0 HD22 LEU B 72 13.800 -9.553 2.775 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.203 -9.809 4.489 1.00 0.60 H new ATOM 2379 N LYS B 73 17.106 -7.198 5.367 1.00 0.63 N ATOM 2380 CA LYS B 73 18.193 -8.075 5.762 1.00 0.83 C ATOM 2381 C LYS B 73 18.934 -7.535 6.986 1.00 0.97 C ATOM 2382 O LYS B 73 19.653 -8.275 7.657 1.00 1.13 O ATOM 2383 CB LYS B 73 19.142 -8.279 4.579 1.00 0.96 C ATOM 2384 CG LYS B 73 18.406 -8.555 3.270 1.00 0.92 C ATOM 2385 CD LYS B 73 19.351 -8.981 2.155 1.00 1.16 C ATOM 2386 CE LYS B 73 20.359 -7.895 1.817 1.00 1.41 C ATOM 2387 NZ LYS B 73 21.094 -8.197 0.560 1.00 1.79 N ATOM 0 H LYS B 73 17.370 -6.449 4.726 1.00 0.63 H new ATOM 0 HA LYS B 73 17.776 -9.040 6.049 1.00 0.83 H new ATOM 0 HB2 LYS B 73 19.764 -7.391 4.461 1.00 0.96 H new ATOM 0 HB3 LYS B 73 19.812 -9.111 4.796 1.00 0.96 H new ATOM 0 HG2 LYS B 73 17.663 -9.336 3.431 1.00 0.92 H new ATOM 0 HG3 LYS B 73 17.866 -7.659 2.963 1.00 0.92 H new ATOM 0 HD2 LYS B 73 19.880 -9.886 2.454 1.00 1.16 H new ATOM 0 HD3 LYS B 73 18.773 -9.229 1.265 1.00 1.16 H new ATOM 0 HE2 LYS B 73 19.844 -6.939 1.717 1.00 1.41 H new ATOM 0 HE3 LYS B 73 21.069 -7.790 2.637 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 22.118 -8.179 0.743 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 20.820 -9.139 0.216 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 20.859 -7.484 -0.160 1.00 1.79 H new ATOM 2401 N GLU B 74 18.760 -6.251 7.280 1.00 0.99 N ATOM 2402 CA GLU B 74 19.420 -5.643 8.434 1.00 1.22 C ATOM 2403 C GLU B 74 18.495 -5.596 9.658 1.00 1.27 C ATOM 2404 O GLU B 74 18.964 -5.617 10.796 1.00 1.50 O ATOM 2405 CB GLU B 74 19.937 -4.240 8.081 1.00 1.37 C ATOM 2406 CG GLU B 74 19.031 -3.098 8.520 1.00 1.81 C ATOM 2407 CD GLU B 74 19.746 -2.106 9.409 1.00 2.23 C ATOM 2408 OE1 GLU B 74 20.822 -1.612 9.015 1.00 2.51 O ATOM 2409 OE2 GLU B 74 19.244 -1.819 10.513 1.00 2.78 O ATOM 0 H GLU B 74 18.173 -5.614 6.741 1.00 0.99 H new ATOM 0 HA GLU B 74 20.272 -6.270 8.697 1.00 1.22 H new ATOM 0 HB2 GLU B 74 20.917 -4.104 8.537 1.00 1.37 H new ATOM 0 HB3 GLU B 74 20.077 -4.180 7.002 1.00 1.37 H new ATOM 0 HG2 GLU B 74 18.648 -2.583 7.639 1.00 1.81 H new ATOM 0 HG3 GLU B 74 18.170 -3.504 9.052 1.00 1.81 H new ATOM 2416 N ASN B 75 17.196 -5.435 9.420 1.00 1.11 N ATOM 2417 CA ASN B 75 16.229 -5.266 10.506 1.00 1.21 C ATOM 2418 C ASN B 75 15.910 -6.596 11.181 1.00 1.14 C ATOM 2419 O ASN B 75 15.528 -6.633 12.354 1.00 1.29 O ATOM 2420 CB ASN B 75 14.941 -4.612 9.981 1.00 1.28 C ATOM 2421 CG ASN B 75 13.718 -5.510 10.087 1.00 1.61 C ATOM 2422 OD1 ASN B 75 12.972 -5.454 11.066 1.00 1.88 O ATOM 2423 ND2 ASN B 75 13.497 -6.340 9.075 1.00 1.97 N ATOM 0 H ASN B 75 16.787 -5.418 8.486 1.00 1.11 H new ATOM 0 HA ASN B 75 16.679 -4.612 11.252 1.00 1.21 H new ATOM 0 HB2 ASN B 75 14.757 -3.693 10.538 1.00 1.28 H new ATOM 0 HB3 ASN B 75 15.085 -4.330 8.938 1.00 1.28 H new ATOM 0 HD21 ASN B 75 12.687 -6.960 9.091 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.137 -6.358 8.281 1.00 1.97 H new ATOM 2430 N GLU B 76 16.058 -7.682 10.441 1.00 1.01 N ATOM 2431 CA GLU B 76 15.750 -9.000 10.956 1.00 1.08 C ATOM 2432 C GLU B 76 16.698 -10.020 10.349 1.00 1.38 C ATOM 2433 O GLU B 76 16.957 -11.057 10.994 1.00 1.93 O ATOM 2434 CB GLU B 76 14.298 -9.364 10.637 1.00 1.36 C ATOM 2435 CG GLU B 76 13.593 -10.128 11.748 1.00 1.88 C ATOM 2436 CD GLU B 76 13.501 -9.344 13.040 1.00 2.20 C ATOM 2437 OE1 GLU B 76 14.432 -9.436 13.868 1.00 2.52 O ATOM 2438 OE2 GLU B 76 12.512 -8.603 13.224 1.00 2.67 O ATOM 2439 OXT GLU B 76 17.189 -9.772 9.232 1.00 1.90 O ATOM 0 H GLU B 76 16.391 -7.673 9.477 1.00 1.01 H new ATOM 0 HA GLU B 76 15.876 -9.001 12.039 1.00 1.08 H new ATOM 0 HB2 GLU B 76 13.742 -8.450 10.430 1.00 1.36 H new ATOM 0 HB3 GLU B 76 14.276 -9.964 9.727 1.00 1.36 H new ATOM 0 HG2 GLU B 76 12.588 -10.393 11.418 1.00 1.88 H new ATOM 0 HG3 GLU B 76 14.124 -11.062 11.933 1.00 1.88 H new TER 2446 GLU B 76