USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 664 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 73 TYR OH : rot -174:sc= 0.484 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 175:sc= -2.38! (180deg=-2.66!) USER MOD Set 2.1: A 48 MET CE :methyl 162:sc= -0.433 (180deg=-0.665) USER MOD Set 2.2: A 58 TYR OH : rot 30:sc= -0.0289 USER MOD Set 3.1: A 35 GLN : amide:sc= 0.393 K(o=1.1,f=-0.29) USER MOD Set 3.2: A 50 SER OG : rot 126:sc= 0.704 USER MOD Set 4.1: A 33 MET CE :methyl -159:sc= -0.081 (180deg=-0.84) USER MOD Set 4.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 18 SER OG : rot 42:sc= 0.363 USER MOD Set 5.2: A 19 HIS : no HD1:sc= -0.665 K(o=-0.34,f=-0.86) USER MOD Set 5.3: A 20 THR OG1 : rot 180:sc= -0.0347 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.119 (180deg=-0.564) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.0625 (180deg=-0.216) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0403 X(o=-0.04,f=-0.18) USER MOD Single : A 6 HIS : no HE2:sc= -0.491 K(o=-0.49,f=-1.5) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 1.11 K(o=1.1,f=-7.5!) USER MOD Single : A 9 SER OG : rot 61:sc= 0.197 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -167:sc= -0.066 (180deg=-0.373) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc=-0.00309 (180deg=-0.0852) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.549) USER MOD Single : A 34 ASN : amide:sc= -0.0298 X(o=-0.03,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= -0.0314 (180deg=-0.208) USER MOD Single : A 42 CYS SG : rot 170:sc= -2.21! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 84:sc= 0.356 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.096) USER MOD Single : A 55 SER OG : rot 62:sc= -0.999! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0021 F(o=-0.95,f=-0.0021) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -140:sc= -1.6! (180deg=-3.68!) USER MOD Single : A 66 CYS SG : rot 79:sc= 0.561 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : +bothHN:sc= -2.51! C(o=-2.5!,f=-8.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -2:sc= 0.668 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -151:sc= -1.58 (180deg=-3.05!) USER MOD Single : A 83 MET CE :methyl -147:sc= -1.3 (180deg=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.073 0.861 21.240 1.00 34.52 N ATOM 2 CA MET A 1 8.415 1.843 20.170 1.00 22.31 C ATOM 3 C MET A 1 9.347 1.214 19.120 1.00 44.51 C ATOM 4 O MET A 1 9.687 0.034 19.209 1.00 13.42 O ATOM 5 CB MET A 1 9.084 3.085 20.783 1.00 70.25 C ATOM 6 CG MET A 1 8.209 3.834 21.782 1.00 51.13 C ATOM 7 SD MET A 1 9.034 5.274 22.495 1.00 12.23 S ATOM 8 CE MET A 1 10.384 4.502 23.388 1.00 0.53 C ATOM 0 H1 MET A 1 7.053 0.905 21.439 1.00 34.52 H new ATOM 0 H2 MET A 1 8.323 -0.098 20.924 1.00 34.52 H new ATOM 0 H3 MET A 1 8.604 1.090 22.104 1.00 34.52 H new ATOM 0 HA MET A 1 7.490 2.139 19.676 1.00 22.31 H new ATOM 0 HB2 MET A 1 10.005 2.780 21.280 1.00 70.25 H new ATOM 0 HB3 MET A 1 9.365 3.766 19.980 1.00 70.25 H new ATOM 0 HG2 MET A 1 7.293 4.155 21.286 1.00 51.13 H new ATOM 0 HG3 MET A 1 7.917 3.155 22.583 1.00 51.13 H new ATOM 0 HE1 MET A 1 10.770 5.196 24.135 1.00 0.53 H new ATOM 0 HE2 MET A 1 10.024 3.600 23.882 1.00 0.53 H new ATOM 0 HE3 MET A 1 11.180 4.241 22.690 1.00 0.53 H new ATOM 20 N GLY A 2 9.752 2.000 18.119 1.00 75.13 N ATOM 21 CA GLY A 2 10.682 1.503 17.105 1.00 13.42 C ATOM 22 C GLY A 2 10.516 2.164 15.740 1.00 2.52 C ATOM 23 O GLY A 2 9.408 2.531 15.343 1.00 71.33 O ATOM 0 H GLY A 2 9.456 2.968 17.990 1.00 75.13 H new ATOM 0 HA2 GLY A 2 11.703 1.661 17.453 1.00 13.42 H new ATOM 0 HA3 GLY A 2 10.545 0.427 16.996 1.00 13.42 H new ATOM 27 N HIS A 3 11.628 2.324 15.023 1.00 41.22 N ATOM 28 CA HIS A 3 11.619 2.884 13.663 1.00 14.42 C ATOM 29 C HIS A 3 12.629 2.159 12.754 1.00 1.13 C ATOM 30 O HIS A 3 13.668 1.674 13.210 1.00 14.31 O ATOM 31 CB HIS A 3 11.903 4.392 13.691 1.00 41.34 C ATOM 32 CG HIS A 3 10.733 5.217 14.145 1.00 41.40 C ATOM 33 ND1 HIS A 3 10.687 5.872 15.357 1.00 43.41 N ATOM 34 CD2 HIS A 3 9.555 5.498 13.530 1.00 73.21 C ATOM 35 CE1 HIS A 3 9.542 6.513 15.471 1.00 21.14 C ATOM 36 NE2 HIS A 3 8.836 6.303 14.378 1.00 62.11 N ATOM 0 H HIS A 3 12.557 2.072 15.361 1.00 41.22 H new ATOM 0 HA HIS A 3 10.623 2.730 13.248 1.00 14.42 H new ATOM 0 HB2 HIS A 3 12.749 4.582 14.352 1.00 41.34 H new ATOM 0 HB3 HIS A 3 12.200 4.716 12.693 1.00 41.34 H new ATOM 0 HD2 HIS A 3 9.242 5.153 12.556 1.00 73.21 H new ATOM 0 HE1 HIS A 3 9.234 7.110 16.317 1.00 21.14 H new ATOM 0 HE2 HIS A 3 7.906 6.678 14.192 1.00 62.11 H new ATOM 45 N HIS A 4 12.328 2.120 11.456 1.00 32.41 N ATOM 46 CA HIS A 4 13.082 1.305 10.490 1.00 52.12 C ATOM 47 C HIS A 4 14.264 2.086 9.875 1.00 74.43 C ATOM 48 O HIS A 4 14.480 2.049 8.661 1.00 65.22 O ATOM 49 CB HIS A 4 12.131 0.836 9.376 1.00 64.13 C ATOM 50 CG HIS A 4 10.829 0.281 9.882 1.00 14.03 C ATOM 51 ND1 HIS A 4 10.706 -0.974 10.440 1.00 12.41 N ATOM 52 CD2 HIS A 4 9.586 0.825 9.922 1.00 51.14 C ATOM 53 CE1 HIS A 4 9.451 -1.179 10.794 1.00 74.32 C ATOM 54 NE2 HIS A 4 8.755 -0.106 10.491 1.00 12.44 N ATOM 0 H HIS A 4 11.560 2.648 11.041 1.00 32.41 H new ATOM 0 HA HIS A 4 13.497 0.448 11.020 1.00 52.12 H new ATOM 0 HB2 HIS A 4 11.924 1.675 8.711 1.00 64.13 H new ATOM 0 HB3 HIS A 4 12.633 0.074 8.780 1.00 64.13 H new ATOM 0 HD2 HIS A 4 9.304 1.807 9.571 1.00 51.14 H new ATOM 0 HE1 HIS A 4 9.062 -2.075 11.254 1.00 74.32 H new ATOM 0 HE2 HIS A 4 7.755 0.015 10.653 1.00 12.44 H new ATOM 63 N HIS A 5 15.064 2.731 10.726 1.00 73.22 N ATOM 64 CA HIS A 5 16.115 3.665 10.273 1.00 65.31 C ATOM 65 C HIS A 5 17.337 2.982 9.606 1.00 30.32 C ATOM 66 O HIS A 5 18.437 3.527 9.635 1.00 52.30 O ATOM 67 CB HIS A 5 16.585 4.534 11.453 1.00 41.01 C ATOM 68 CG HIS A 5 17.259 3.776 12.555 1.00 4.50 C ATOM 69 ND1 HIS A 5 18.623 3.595 12.615 1.00 51.33 N ATOM 70 CD2 HIS A 5 16.756 3.159 13.653 1.00 73.40 C ATOM 71 CE1 HIS A 5 18.931 2.911 13.694 1.00 5.13 C ATOM 72 NE2 HIS A 5 17.818 2.632 14.341 1.00 43.34 N ATOM 0 H HIS A 5 15.009 2.628 11.739 1.00 73.22 H new ATOM 0 HA HIS A 5 15.655 4.277 9.498 1.00 65.31 H new ATOM 0 HB2 HIS A 5 17.272 5.292 11.078 1.00 41.01 H new ATOM 0 HB3 HIS A 5 15.724 5.060 11.865 1.00 41.01 H new ATOM 0 HD2 HIS A 5 15.715 3.095 13.933 1.00 73.40 H new ATOM 0 HE1 HIS A 5 19.927 2.626 13.999 1.00 5.13 H new ATOM 0 HE2 HIS A 5 17.756 2.108 15.214 1.00 43.34 H new ATOM 81 N HIS A 6 17.146 1.805 9.003 1.00 11.24 N ATOM 82 CA HIS A 6 18.200 1.174 8.185 1.00 45.11 C ATOM 83 C HIS A 6 17.655 -0.036 7.404 1.00 23.23 C ATOM 84 O HIS A 6 18.373 -1.006 7.149 1.00 11.23 O ATOM 85 CB HIS A 6 19.412 0.761 9.051 1.00 13.21 C ATOM 86 CG HIS A 6 19.190 -0.435 9.930 1.00 61.13 C ATOM 87 ND1 HIS A 6 19.498 -1.716 9.530 1.00 31.33 N ATOM 88 CD2 HIS A 6 18.717 -0.549 11.196 1.00 35.25 C ATOM 89 CE1 HIS A 6 19.227 -2.560 10.501 1.00 25.21 C ATOM 90 NE2 HIS A 6 18.752 -1.884 11.526 1.00 15.12 N ATOM 0 H HIS A 6 16.280 1.269 9.062 1.00 11.24 H new ATOM 0 HA HIS A 6 18.538 1.918 7.463 1.00 45.11 H new ATOM 0 HB2 HIS A 6 20.256 0.556 8.392 1.00 13.21 H new ATOM 0 HB3 HIS A 6 19.695 1.606 9.679 1.00 13.21 H new ATOM 0 HD1 HIS A 6 19.879 -1.971 8.619 1.00 31.33 H new ATOM 0 HD2 HIS A 6 18.376 0.258 11.828 1.00 35.25 H new ATOM 0 HE1 HIS A 6 19.370 -3.630 10.464 1.00 25.21 H new ATOM 99 N HIS A 7 16.386 0.035 7.000 1.00 72.31 N ATOM 100 CA HIS A 7 15.749 -1.075 6.279 1.00 1.14 C ATOM 101 C HIS A 7 14.716 -0.580 5.250 1.00 41.02 C ATOM 102 O HIS A 7 13.585 -0.242 5.601 1.00 72.44 O ATOM 103 CB HIS A 7 15.087 -2.038 7.272 1.00 51.35 C ATOM 104 CG HIS A 7 14.442 -3.226 6.620 1.00 20.24 C ATOM 105 ND1 HIS A 7 15.162 -4.273 6.092 1.00 23.34 N ATOM 106 CD2 HIS A 7 13.138 -3.523 6.398 1.00 53.53 C ATOM 107 CE1 HIS A 7 14.337 -5.160 5.579 1.00 53.55 C ATOM 108 NE2 HIS A 7 13.105 -4.731 5.751 1.00 14.23 N ATOM 0 H HIS A 7 15.781 0.841 7.157 1.00 72.31 H new ATOM 0 HA HIS A 7 16.531 -1.600 5.730 1.00 1.14 H new ATOM 0 HB2 HIS A 7 15.837 -2.387 7.982 1.00 51.35 H new ATOM 0 HB3 HIS A 7 14.335 -1.495 7.844 1.00 51.35 H new ATOM 0 HD2 HIS A 7 12.286 -2.921 6.678 1.00 53.53 H new ATOM 0 HE1 HIS A 7 14.623 -6.084 5.098 1.00 53.55 H new ATOM 0 HE2 HIS A 7 12.261 -5.219 5.451 1.00 14.23 H new ATOM 117 N HIS A 8 15.125 -0.529 3.981 1.00 41.32 N ATOM 118 CA HIS A 8 14.222 -0.187 2.875 1.00 10.21 C ATOM 119 C HIS A 8 14.560 -1.002 1.614 1.00 15.24 C ATOM 120 O HIS A 8 15.622 -0.826 1.017 1.00 22.11 O ATOM 121 CB HIS A 8 14.299 1.312 2.546 1.00 0.13 C ATOM 122 CG HIS A 8 13.939 2.212 3.688 1.00 11.55 C ATOM 123 ND1 HIS A 8 12.684 2.244 4.255 1.00 50.41 N ATOM 124 CD2 HIS A 8 14.678 3.122 4.367 1.00 53.21 C ATOM 125 CE1 HIS A 8 12.664 3.133 5.227 1.00 13.42 C ATOM 126 NE2 HIS A 8 13.860 3.680 5.319 1.00 50.02 N ATOM 0 H HIS A 8 16.083 -0.722 3.690 1.00 41.32 H new ATOM 0 HA HIS A 8 13.209 -0.431 3.196 1.00 10.21 H new ATOM 0 HB2 HIS A 8 15.311 1.549 2.217 1.00 0.13 H new ATOM 0 HB3 HIS A 8 13.634 1.523 1.708 1.00 0.13 H new ATOM 0 HD1 HIS A 8 11.893 1.668 3.967 1.00 50.41 H new ATOM 0 HD2 HIS A 8 15.716 3.364 4.192 1.00 53.21 H new ATOM 0 HE1 HIS A 8 11.811 3.373 5.845 1.00 13.42 H new ATOM 135 N SER A 9 13.656 -1.890 1.212 1.00 50.24 N ATOM 136 CA SER A 9 13.838 -2.693 -0.011 1.00 65.03 C ATOM 137 C SER A 9 13.258 -1.971 -1.239 1.00 30.12 C ATOM 138 O SER A 9 12.429 -2.526 -1.970 1.00 71.24 O ATOM 139 CB SER A 9 13.161 -4.064 0.151 1.00 12.35 C ATOM 140 OG SER A 9 11.763 -3.925 0.368 1.00 74.43 O ATOM 0 H SER A 9 12.786 -2.078 1.710 1.00 50.24 H new ATOM 0 HA SER A 9 14.908 -2.832 -0.166 1.00 65.03 H new ATOM 0 HB2 SER A 9 13.335 -4.666 -0.741 1.00 12.35 H new ATOM 0 HB3 SER A 9 13.610 -4.598 0.989 1.00 12.35 H new ATOM 0 HG SER A 9 11.356 -3.474 -0.401 1.00 74.43 H new ATOM 146 N HIS A 10 13.715 -0.735 -1.470 1.00 22.15 N ATOM 147 CA HIS A 10 13.137 0.138 -2.502 1.00 30.42 C ATOM 148 C HIS A 10 11.609 0.236 -2.348 1.00 13.33 C ATOM 149 O HIS A 10 10.850 0.038 -3.296 1.00 42.22 O ATOM 150 CB HIS A 10 13.527 -0.331 -3.909 1.00 21.10 C ATOM 151 CG HIS A 10 14.989 -0.170 -4.204 1.00 21.00 C ATOM 152 ND1 HIS A 10 15.580 1.059 -4.407 1.00 35.11 N ATOM 153 CD2 HIS A 10 15.984 -1.083 -4.320 1.00 62.35 C ATOM 154 CE1 HIS A 10 16.866 0.896 -4.638 1.00 34.23 C ATOM 155 NE2 HIS A 10 17.138 -0.390 -4.589 1.00 63.43 N ATOM 0 H HIS A 10 14.487 -0.314 -0.954 1.00 22.15 H new ATOM 0 HA HIS A 10 13.550 1.137 -2.364 1.00 30.42 H new ATOM 0 HB2 HIS A 10 13.254 -1.380 -4.024 1.00 21.10 H new ATOM 0 HB3 HIS A 10 12.951 0.231 -4.644 1.00 21.10 H new ATOM 0 HD2 HIS A 10 15.887 -2.154 -4.220 1.00 62.35 H new ATOM 0 HE1 HIS A 10 17.577 1.685 -4.834 1.00 34.23 H new ATOM 0 HE2 HIS A 10 18.059 -0.806 -4.729 1.00 63.43 H new ATOM 164 N MET A 11 11.183 0.557 -1.129 1.00 44.11 N ATOM 165 CA MET A 11 9.760 0.687 -0.793 1.00 1.54 C ATOM 166 C MET A 11 9.250 2.111 -1.072 1.00 34.43 C ATOM 167 O MET A 11 8.050 2.374 -1.030 1.00 33.42 O ATOM 168 CB MET A 11 9.553 0.343 0.688 1.00 54.43 C ATOM 169 CG MET A 11 10.328 1.262 1.629 1.00 23.43 C ATOM 170 SD MET A 11 10.243 0.754 3.360 1.00 71.22 S ATOM 171 CE MET A 11 8.479 0.835 3.661 1.00 2.54 C ATOM 0 H MET A 11 11.810 0.735 -0.345 1.00 44.11 H new ATOM 0 HA MET A 11 9.194 -0.003 -1.418 1.00 1.54 H new ATOM 0 HB2 MET A 11 8.491 0.403 0.924 1.00 54.43 H new ATOM 0 HB3 MET A 11 9.860 -0.688 0.862 1.00 54.43 H new ATOM 0 HG2 MET A 11 11.372 1.291 1.318 1.00 23.43 H new ATOM 0 HG3 MET A 11 9.939 2.276 1.536 1.00 23.43 H new ATOM 0 HE1 MET A 11 8.290 0.776 4.733 1.00 2.54 H new ATOM 0 HE2 MET A 11 8.087 1.776 3.274 1.00 2.54 H new ATOM 0 HE3 MET A 11 7.986 0.003 3.159 1.00 2.54 H new ATOM 181 N LEU A 12 10.179 3.025 -1.337 1.00 24.23 N ATOM 182 CA LEU A 12 9.846 4.433 -1.580 1.00 53.35 C ATOM 183 C LEU A 12 9.498 4.684 -3.074 1.00 61.20 C ATOM 184 O LEU A 12 8.513 5.366 -3.373 1.00 73.24 O ATOM 185 CB LEU A 12 11.018 5.322 -1.107 1.00 71.02 C ATOM 186 CG LEU A 12 10.662 6.769 -0.709 1.00 45.11 C ATOM 187 CD1 LEU A 12 11.822 7.425 0.038 1.00 64.34 C ATOM 188 CD2 LEU A 12 10.290 7.601 -1.931 1.00 74.41 C ATOM 0 H LEU A 12 11.176 2.818 -1.390 1.00 24.23 H new ATOM 0 HA LEU A 12 8.956 4.694 -1.008 1.00 53.35 H new ATOM 0 HB2 LEU A 12 11.490 4.839 -0.252 1.00 71.02 H new ATOM 0 HB3 LEU A 12 11.762 5.359 -1.903 1.00 71.02 H new ATOM 0 HG LEU A 12 9.797 6.726 -0.047 1.00 45.11 H new ATOM 0 HD11 LEU A 12 11.550 8.445 0.309 1.00 64.34 H new ATOM 0 HD12 LEU A 12 12.042 6.856 0.941 1.00 64.34 H new ATOM 0 HD13 LEU A 12 12.704 7.443 -0.603 1.00 64.34 H new ATOM 0 HD21 LEU A 12 10.044 8.616 -1.619 1.00 74.41 H new ATOM 0 HD22 LEU A 12 11.132 7.628 -2.623 1.00 74.41 H new ATOM 0 HD23 LEU A 12 9.428 7.155 -2.426 1.00 74.41 H new ATOM 200 N PRO A 13 10.306 4.170 -4.039 1.00 44.31 N ATOM 201 CA PRO A 13 9.984 4.270 -5.471 1.00 52.02 C ATOM 202 C PRO A 13 9.136 3.083 -5.986 1.00 61.34 C ATOM 203 O PRO A 13 9.241 1.962 -5.478 1.00 25.33 O ATOM 204 CB PRO A 13 11.374 4.253 -6.110 1.00 63.21 C ATOM 205 CG PRO A 13 12.170 3.343 -5.233 1.00 32.13 C ATOM 206 CD PRO A 13 11.602 3.485 -3.834 1.00 34.14 C ATOM 0 HA PRO A 13 9.382 5.149 -5.702 1.00 52.02 H new ATOM 0 HB2 PRO A 13 11.336 3.885 -7.135 1.00 63.21 H new ATOM 0 HB3 PRO A 13 11.808 5.252 -6.145 1.00 63.21 H new ATOM 0 HG2 PRO A 13 12.098 2.311 -5.578 1.00 32.13 H new ATOM 0 HG3 PRO A 13 13.226 3.612 -5.252 1.00 32.13 H new ATOM 0 HD2 PRO A 13 11.469 2.514 -3.357 1.00 34.14 H new ATOM 0 HD3 PRO A 13 12.263 4.067 -3.192 1.00 34.14 H new ATOM 214 N PRO A 14 8.278 3.309 -7.003 1.00 53.00 N ATOM 215 CA PRO A 14 7.460 2.240 -7.604 1.00 55.45 C ATOM 216 C PRO A 14 8.297 1.247 -8.438 1.00 50.23 C ATOM 217 O PRO A 14 8.291 1.291 -9.669 1.00 75.32 O ATOM 218 CB PRO A 14 6.457 3.002 -8.500 1.00 11.31 C ATOM 219 CG PRO A 14 6.605 4.446 -8.133 1.00 40.31 C ATOM 220 CD PRO A 14 8.017 4.608 -7.640 1.00 55.03 C ATOM 0 HA PRO A 14 6.981 1.625 -6.842 1.00 55.45 H new ATOM 0 HB2 PRO A 14 6.675 2.842 -9.556 1.00 11.31 H new ATOM 0 HB3 PRO A 14 5.437 2.657 -8.329 1.00 11.31 H new ATOM 0 HG2 PRO A 14 6.416 5.088 -8.993 1.00 40.31 H new ATOM 0 HG3 PRO A 14 5.888 4.728 -7.362 1.00 40.31 H new ATOM 0 HD2 PRO A 14 8.712 4.808 -8.456 1.00 55.03 H new ATOM 0 HD3 PRO A 14 8.109 5.433 -6.934 1.00 55.03 H new ATOM 228 N GLU A 15 9.030 0.365 -7.756 1.00 30.13 N ATOM 229 CA GLU A 15 9.892 -0.617 -8.430 1.00 4.42 C ATOM 230 C GLU A 15 9.167 -1.957 -8.666 1.00 43.20 C ATOM 231 O GLU A 15 8.556 -2.164 -9.716 1.00 63.54 O ATOM 232 CB GLU A 15 11.170 -0.848 -7.610 1.00 75.23 C ATOM 233 CG GLU A 15 12.163 -1.804 -8.271 1.00 65.43 C ATOM 234 CD GLU A 15 13.288 -2.226 -7.339 1.00 53.25 C ATOM 235 OE1 GLU A 15 14.192 -1.407 -7.080 1.00 31.21 O ATOM 236 OE2 GLU A 15 13.277 -3.385 -6.868 1.00 43.11 O ATOM 0 H GLU A 15 9.046 0.308 -6.738 1.00 30.13 H new ATOM 0 HA GLU A 15 10.153 -0.208 -9.406 1.00 4.42 H new ATOM 0 HB2 GLU A 15 11.660 0.111 -7.441 1.00 75.23 H new ATOM 0 HB3 GLU A 15 10.896 -1.243 -6.632 1.00 75.23 H new ATOM 0 HG2 GLU A 15 11.631 -2.691 -8.615 1.00 65.43 H new ATOM 0 HG3 GLU A 15 12.589 -1.325 -9.153 1.00 65.43 H new ATOM 243 N GLN A 16 9.236 -2.861 -7.679 1.00 42.12 N ATOM 244 CA GLN A 16 8.615 -4.190 -7.786 1.00 22.00 C ATOM 245 C GLN A 16 7.132 -4.134 -7.384 1.00 12.05 C ATOM 246 O GLN A 16 6.249 -4.322 -8.219 1.00 43.30 O ATOM 247 CB GLN A 16 9.375 -5.202 -6.906 1.00 14.10 C ATOM 248 CG GLN A 16 8.849 -6.633 -6.987 1.00 45.40 C ATOM 249 CD GLN A 16 9.634 -7.597 -6.105 1.00 41.30 C ATOM 250 OE1 GLN A 16 9.319 -7.787 -4.935 1.00 54.11 O ATOM 251 NE2 GLN A 16 10.657 -8.221 -6.657 1.00 5.32 N ATOM 0 H GLN A 16 9.717 -2.696 -6.795 1.00 42.12 H new ATOM 0 HA GLN A 16 8.672 -4.515 -8.825 1.00 22.00 H new ATOM 0 HB2 GLN A 16 10.426 -5.198 -7.195 1.00 14.10 H new ATOM 0 HB3 GLN A 16 9.328 -4.869 -5.869 1.00 14.10 H new ATOM 0 HG2 GLN A 16 7.800 -6.648 -6.691 1.00 45.40 H new ATOM 0 HG3 GLN A 16 8.893 -6.974 -8.021 1.00 45.40 H new ATOM 0 HE21 GLN A 16 10.896 -8.044 -7.633 1.00 5.32 H new ATOM 0 HE22 GLN A 16 11.208 -8.881 -6.108 1.00 5.32 H new ATOM 260 N TRP A 17 6.876 -3.875 -6.097 1.00 2.13 N ATOM 261 CA TRP A 17 5.508 -3.692 -5.576 1.00 41.23 C ATOM 262 C TRP A 17 4.556 -4.845 -5.941 1.00 23.12 C ATOM 263 O TRP A 17 3.417 -4.623 -6.361 1.00 74.13 O ATOM 264 CB TRP A 17 4.941 -2.343 -6.043 1.00 34.43 C ATOM 265 CG TRP A 17 5.559 -1.181 -5.324 1.00 0.05 C ATOM 266 CD1 TRP A 17 6.760 -0.589 -5.593 1.00 32.32 C ATOM 267 CD2 TRP A 17 5.010 -0.482 -4.201 1.00 50.12 C ATOM 268 NE1 TRP A 17 6.989 0.435 -4.706 1.00 22.12 N ATOM 269 CE2 TRP A 17 5.928 0.522 -3.843 1.00 22.12 C ATOM 270 CE3 TRP A 17 3.827 -0.608 -3.464 1.00 5.50 C ATOM 271 CZ2 TRP A 17 5.703 1.392 -2.779 1.00 34.15 C ATOM 272 CZ3 TRP A 17 3.603 0.257 -2.410 1.00 41.41 C ATOM 273 CH2 TRP A 17 4.536 1.246 -2.077 1.00 30.14 C ATOM 0 H TRP A 17 7.603 -3.786 -5.387 1.00 2.13 H new ATOM 0 HA TRP A 17 5.581 -3.698 -4.488 1.00 41.23 H new ATOM 0 HB2 TRP A 17 5.108 -2.234 -7.115 1.00 34.43 H new ATOM 0 HB3 TRP A 17 3.862 -2.332 -5.886 1.00 34.43 H new ATOM 0 HD1 TRP A 17 7.431 -0.883 -6.386 1.00 32.32 H new ATOM 0 HE1 TRP A 17 7.815 1.033 -4.692 1.00 22.12 H new ATOM 0 HE3 TRP A 17 3.102 -1.368 -3.715 1.00 5.50 H new ATOM 0 HZ2 TRP A 17 6.422 2.154 -2.517 1.00 34.15 H new ATOM 0 HZ3 TRP A 17 2.694 0.169 -1.834 1.00 41.41 H new ATOM 0 HH2 TRP A 17 4.331 1.908 -1.249 1.00 30.14 H new ATOM 284 N SER A 18 5.015 -6.076 -5.748 1.00 63.13 N ATOM 285 CA SER A 18 4.160 -7.253 -5.939 1.00 34.21 C ATOM 286 C SER A 18 3.404 -7.589 -4.640 1.00 43.35 C ATOM 287 O SER A 18 3.450 -6.825 -3.670 1.00 53.14 O ATOM 288 CB SER A 18 4.998 -8.453 -6.401 1.00 24.40 C ATOM 289 OG SER A 18 4.180 -9.579 -6.693 1.00 1.34 O ATOM 0 H SER A 18 5.970 -6.290 -5.460 1.00 63.13 H new ATOM 0 HA SER A 18 3.427 -7.025 -6.713 1.00 34.21 H new ATOM 0 HB2 SER A 18 5.571 -8.179 -7.287 1.00 24.40 H new ATOM 0 HB3 SER A 18 5.717 -8.716 -5.625 1.00 24.40 H new ATOM 0 HG SER A 18 3.381 -9.286 -7.178 1.00 1.34 H new ATOM 295 N HIS A 19 2.720 -8.737 -4.625 1.00 4.32 N ATOM 296 CA HIS A 19 1.848 -9.131 -3.506 1.00 24.20 C ATOM 297 C HIS A 19 2.483 -8.902 -2.114 1.00 71.32 C ATOM 298 O HIS A 19 1.852 -8.326 -1.225 1.00 22.21 O ATOM 299 CB HIS A 19 1.428 -10.602 -3.658 1.00 11.41 C ATOM 300 CG HIS A 19 2.577 -11.567 -3.714 1.00 43.14 C ATOM 301 ND1 HIS A 19 3.095 -12.180 -2.595 1.00 25.40 N ATOM 302 CD2 HIS A 19 3.290 -12.047 -4.761 1.00 14.11 C ATOM 303 CE1 HIS A 19 4.074 -12.987 -2.949 1.00 40.41 C ATOM 304 NE2 HIS A 19 4.212 -12.929 -4.255 1.00 71.23 N ATOM 0 H HIS A 19 2.752 -9.419 -5.383 1.00 4.32 H new ATOM 0 HA HIS A 19 0.973 -8.482 -3.555 1.00 24.20 H new ATOM 0 HB2 HIS A 19 0.782 -10.872 -2.823 1.00 11.41 H new ATOM 0 HB3 HIS A 19 0.835 -10.707 -4.567 1.00 11.41 H new ATOM 0 HD2 HIS A 19 3.158 -11.785 -5.800 1.00 14.11 H new ATOM 0 HE1 HIS A 19 4.664 -13.594 -2.279 1.00 40.41 H new ATOM 0 HE2 HIS A 19 4.893 -13.454 -4.803 1.00 71.23 H new ATOM 313 N THR A 20 3.729 -9.342 -1.927 1.00 13.24 N ATOM 314 CA THR A 20 4.398 -9.215 -0.622 1.00 73.13 C ATOM 315 C THR A 20 4.651 -7.747 -0.246 1.00 54.34 C ATOM 316 O THR A 20 4.354 -7.329 0.876 1.00 24.00 O ATOM 317 CB THR A 20 5.733 -9.999 -0.580 1.00 73.43 C ATOM 318 OG1 THR A 20 5.472 -11.401 -0.755 1.00 33.44 O ATOM 319 CG2 THR A 20 6.475 -9.787 0.740 1.00 75.04 C ATOM 0 H THR A 20 4.294 -9.785 -2.651 1.00 13.24 H new ATOM 0 HA THR A 20 3.716 -9.647 0.110 1.00 73.13 H new ATOM 0 HB THR A 20 6.364 -9.625 -1.387 1.00 73.43 H new ATOM 0 HG1 THR A 20 6.317 -11.897 -0.730 1.00 33.44 H new ATOM 0 HG21 THR A 20 7.406 -10.354 0.729 1.00 75.04 H new ATOM 0 HG22 THR A 20 6.697 -8.727 0.867 1.00 75.04 H new ATOM 0 HG23 THR A 20 5.852 -10.129 1.567 1.00 75.04 H new ATOM 327 N THR A 21 5.187 -6.964 -1.184 1.00 34.42 N ATOM 328 CA THR A 21 5.460 -5.540 -0.935 1.00 63.20 C ATOM 329 C THR A 21 4.180 -4.792 -0.537 1.00 73.45 C ATOM 330 O THR A 21 4.153 -4.077 0.466 1.00 74.40 O ATOM 331 CB THR A 21 6.086 -4.841 -2.169 1.00 22.03 C ATOM 332 OG1 THR A 21 7.286 -5.521 -2.577 1.00 51.52 O ATOM 333 CG2 THR A 21 6.410 -3.380 -1.871 1.00 22.42 C ATOM 0 H THR A 21 5.441 -7.285 -2.118 1.00 34.42 H new ATOM 0 HA THR A 21 6.176 -5.505 -0.114 1.00 63.20 H new ATOM 0 HB THR A 21 5.354 -4.880 -2.975 1.00 22.03 H new ATOM 0 HG1 THR A 21 7.669 -5.069 -3.358 1.00 51.52 H new ATOM 0 HG21 THR A 21 6.848 -2.917 -2.755 1.00 22.42 H new ATOM 0 HG22 THR A 21 5.495 -2.852 -1.600 1.00 22.42 H new ATOM 0 HG23 THR A 21 7.119 -3.326 -1.045 1.00 22.42 H new ATOM 341 N VAL A 22 3.114 -4.978 -1.319 1.00 51.44 N ATOM 342 CA VAL A 22 1.823 -4.338 -1.032 1.00 2.15 C ATOM 343 C VAL A 22 1.307 -4.730 0.364 1.00 23.32 C ATOM 344 O VAL A 22 0.831 -3.885 1.124 1.00 35.33 O ATOM 345 CB VAL A 22 0.758 -4.708 -2.097 1.00 22.42 C ATOM 346 CG1 VAL A 22 -0.583 -4.036 -1.791 1.00 11.43 C ATOM 347 CG2 VAL A 22 1.244 -4.335 -3.497 1.00 15.23 C ATOM 0 H VAL A 22 3.116 -5.564 -2.154 1.00 51.44 H new ATOM 0 HA VAL A 22 1.989 -3.261 -1.061 1.00 2.15 H new ATOM 0 HB VAL A 22 0.607 -5.787 -2.062 1.00 22.42 H new ATOM 0 HG11 VAL A 22 -1.311 -4.313 -2.554 1.00 11.43 H new ATOM 0 HG12 VAL A 22 -0.939 -4.363 -0.814 1.00 11.43 H new ATOM 0 HG13 VAL A 22 -0.455 -2.954 -1.787 1.00 11.43 H new ATOM 0 HG21 VAL A 22 0.483 -4.603 -4.230 1.00 15.23 H new ATOM 0 HG22 VAL A 22 1.431 -3.262 -3.543 1.00 15.23 H new ATOM 0 HG23 VAL A 22 2.165 -4.874 -3.718 1.00 15.23 H new ATOM 357 N ARG A 23 1.429 -6.014 0.698 1.00 32.35 N ATOM 358 CA ARG A 23 1.012 -6.526 2.011 1.00 31.34 C ATOM 359 C ARG A 23 1.777 -5.820 3.153 1.00 65.14 C ATOM 360 O ARG A 23 1.195 -5.481 4.187 1.00 61.40 O ATOM 361 CB ARG A 23 1.223 -8.057 2.059 1.00 73.24 C ATOM 362 CG ARG A 23 0.557 -8.773 3.241 1.00 55.12 C ATOM 363 CD ARG A 23 1.400 -8.733 4.512 1.00 43.40 C ATOM 364 NE ARG A 23 0.764 -9.453 5.616 1.00 40.45 N ATOM 365 CZ ARG A 23 1.392 -9.849 6.692 1.00 23.44 C ATOM 366 NH1 ARG A 23 2.662 -9.639 6.827 1.00 64.10 N ATOM 367 NH2 ARG A 23 0.748 -10.463 7.632 1.00 50.21 N ATOM 0 H ARG A 23 1.815 -6.725 0.077 1.00 32.35 H new ATOM 0 HA ARG A 23 -0.047 -6.312 2.154 1.00 31.34 H new ATOM 0 HB2 ARG A 23 0.843 -8.489 1.133 1.00 73.24 H new ATOM 0 HB3 ARG A 23 2.294 -8.259 2.089 1.00 73.24 H new ATOM 0 HG2 ARG A 23 -0.411 -8.313 3.439 1.00 55.12 H new ATOM 0 HG3 ARG A 23 0.367 -9.811 2.970 1.00 55.12 H new ATOM 0 HD2 ARG A 23 2.379 -9.169 4.311 1.00 43.40 H new ATOM 0 HD3 ARG A 23 1.566 -7.696 4.804 1.00 43.40 H new ATOM 0 HE ARG A 23 -0.232 -9.659 5.541 1.00 40.45 H new ATOM 0 HH11 ARG A 23 3.181 -9.161 6.090 1.00 64.10 H new ATOM 0 HH12 ARG A 23 3.144 -9.951 7.670 1.00 64.10 H new ATOM 0 HH21 ARG A 23 -0.252 -10.639 7.534 1.00 50.21 H new ATOM 0 HH22 ARG A 23 1.240 -10.771 8.470 1.00 50.21 H new ATOM 381 N ASN A 24 3.078 -5.592 2.955 1.00 5.21 N ATOM 382 CA ASN A 24 3.903 -4.896 3.955 1.00 41.12 C ATOM 383 C ASN A 24 3.656 -3.377 3.940 1.00 54.13 C ATOM 384 O ASN A 24 3.864 -2.697 4.947 1.00 12.12 O ATOM 385 CB ASN A 24 5.392 -5.200 3.737 1.00 1.24 C ATOM 386 CG ASN A 24 5.770 -6.593 4.210 1.00 3.21 C ATOM 387 OD1 ASN A 24 6.131 -6.789 5.368 1.00 22.23 O ATOM 388 ND2 ASN A 24 5.689 -7.574 3.333 1.00 22.23 N ATOM 0 H ASN A 24 3.584 -5.876 2.116 1.00 5.21 H new ATOM 0 HA ASN A 24 3.609 -5.269 4.936 1.00 41.12 H new ATOM 0 HB2 ASN A 24 5.630 -5.101 2.678 1.00 1.24 H new ATOM 0 HB3 ASN A 24 5.993 -4.462 4.269 1.00 1.24 H new ATOM 0 HD21 ASN A 24 5.929 -8.526 3.609 1.00 22.23 H new ATOM 0 HD22 ASN A 24 5.386 -7.381 2.378 1.00 22.23 H new ATOM 395 N ALA A 25 3.217 -2.848 2.802 1.00 11.54 N ATOM 396 CA ALA A 25 2.854 -1.431 2.705 1.00 4.04 C ATOM 397 C ALA A 25 1.595 -1.138 3.535 1.00 74.30 C ATOM 398 O ALA A 25 1.599 -0.269 4.409 1.00 43.10 O ATOM 399 CB ALA A 25 2.647 -1.035 1.248 1.00 4.41 C ATOM 0 H ALA A 25 3.103 -3.374 1.935 1.00 11.54 H new ATOM 0 HA ALA A 25 3.672 -0.835 3.109 1.00 4.04 H new ATOM 0 HB1 ALA A 25 2.378 0.020 1.192 1.00 4.41 H new ATOM 0 HB2 ALA A 25 3.568 -1.204 0.690 1.00 4.41 H new ATOM 0 HB3 ALA A 25 1.847 -1.637 0.818 1.00 4.41 H new ATOM 405 N LEU A 26 0.528 -1.895 3.269 1.00 51.42 N ATOM 406 CA LEU A 26 -0.730 -1.779 4.023 1.00 61.42 C ATOM 407 C LEU A 26 -0.491 -1.933 5.536 1.00 71.14 C ATOM 408 O LEU A 26 -1.210 -1.356 6.352 1.00 44.45 O ATOM 409 CB LEU A 26 -1.725 -2.847 3.543 1.00 22.14 C ATOM 410 CG LEU A 26 -2.110 -2.768 2.056 1.00 22.42 C ATOM 411 CD1 LEU A 26 -2.997 -3.949 1.663 1.00 31.11 C ATOM 412 CD2 LEU A 26 -2.802 -1.441 1.748 1.00 64.42 C ATOM 0 H LEU A 26 0.507 -2.600 2.533 1.00 51.42 H new ATOM 0 HA LEU A 26 -1.142 -0.786 3.844 1.00 61.42 H new ATOM 0 HB2 LEU A 26 -1.299 -3.831 3.739 1.00 22.14 H new ATOM 0 HB3 LEU A 26 -2.633 -2.768 4.141 1.00 22.14 H new ATOM 0 HG LEU A 26 -1.197 -2.820 1.463 1.00 22.42 H new ATOM 0 HD11 LEU A 26 -3.257 -3.873 0.607 1.00 31.11 H new ATOM 0 HD12 LEU A 26 -2.460 -4.881 1.838 1.00 31.11 H new ATOM 0 HD13 LEU A 26 -3.907 -3.936 2.263 1.00 31.11 H new ATOM 0 HD21 LEU A 26 -3.066 -1.405 0.691 1.00 64.42 H new ATOM 0 HD22 LEU A 26 -3.706 -1.353 2.351 1.00 64.42 H new ATOM 0 HD23 LEU A 26 -2.128 -0.617 1.982 1.00 64.42 H new ATOM 424 N LYS A 27 0.537 -2.704 5.885 1.00 73.05 N ATOM 425 CA LYS A 27 0.908 -2.963 7.282 1.00 34.41 C ATOM 426 C LYS A 27 1.112 -1.651 8.070 1.00 31.31 C ATOM 427 O LYS A 27 0.493 -1.446 9.120 1.00 13.53 O ATOM 428 CB LYS A 27 2.187 -3.831 7.308 1.00 23.22 C ATOM 429 CG LYS A 27 2.552 -4.441 8.668 1.00 55.45 C ATOM 430 CD LYS A 27 3.175 -3.425 9.621 1.00 13.22 C ATOM 431 CE LYS A 27 3.664 -4.081 10.906 1.00 62.31 C ATOM 432 NZ LYS A 27 2.570 -4.783 11.634 1.00 3.42 N ATOM 0 H LYS A 27 1.140 -3.170 5.207 1.00 73.05 H new ATOM 0 HA LYS A 27 0.094 -3.498 7.771 1.00 34.41 H new ATOM 0 HB2 LYS A 27 2.069 -4.641 6.588 1.00 23.22 H new ATOM 0 HB3 LYS A 27 3.024 -3.221 6.968 1.00 23.22 H new ATOM 0 HG2 LYS A 27 1.656 -4.860 9.126 1.00 55.45 H new ATOM 0 HG3 LYS A 27 3.249 -5.266 8.517 1.00 55.45 H new ATOM 0 HD2 LYS A 27 4.009 -2.927 9.127 1.00 13.22 H new ATOM 0 HD3 LYS A 27 2.442 -2.655 9.862 1.00 13.22 H new ATOM 0 HE2 LYS A 27 4.455 -4.793 10.670 1.00 62.31 H new ATOM 0 HE3 LYS A 27 4.101 -3.322 11.555 1.00 62.31 H new ATOM 0 HZ1 LYS A 27 2.926 -5.126 12.549 1.00 3.42 H new ATOM 0 HZ2 LYS A 27 1.781 -4.124 11.794 1.00 3.42 H new ATOM 0 HZ3 LYS A 27 2.238 -5.589 11.068 1.00 3.42 H new ATOM 446 N ASP A 28 1.971 -0.763 7.559 1.00 51.22 N ATOM 447 CA ASP A 28 2.278 0.499 8.252 1.00 43.13 C ATOM 448 C ASP A 28 1.207 1.580 8.024 1.00 1.22 C ATOM 449 O ASP A 28 1.089 2.518 8.816 1.00 4.21 O ATOM 450 CB ASP A 28 3.669 1.016 7.856 1.00 65.44 C ATOM 451 CG ASP A 28 4.781 0.219 8.522 1.00 71.02 C ATOM 452 OD1 ASP A 28 4.914 0.307 9.764 1.00 41.34 O ATOM 453 OD2 ASP A 28 5.522 -0.496 7.816 1.00 1.35 O ATOM 0 H ASP A 28 2.464 -0.890 6.675 1.00 51.22 H new ATOM 0 HA ASP A 28 2.277 0.278 9.319 1.00 43.13 H new ATOM 0 HB2 ASP A 28 3.782 0.962 6.773 1.00 65.44 H new ATOM 0 HB3 ASP A 28 3.759 2.066 8.134 1.00 65.44 H new ATOM 458 N LEU A 29 0.426 1.458 6.953 1.00 34.13 N ATOM 459 CA LEU A 29 -0.705 2.368 6.722 1.00 32.34 C ATOM 460 C LEU A 29 -1.850 2.082 7.711 1.00 32.43 C ATOM 461 O LEU A 29 -2.428 3.003 8.292 1.00 22.21 O ATOM 462 CB LEU A 29 -1.206 2.262 5.269 1.00 14.43 C ATOM 463 CG LEU A 29 -0.446 3.118 4.233 1.00 41.54 C ATOM 464 CD1 LEU A 29 -0.613 4.607 4.535 1.00 32.10 C ATOM 465 CD2 LEU A 29 1.036 2.743 4.181 1.00 45.43 C ATOM 0 H LEU A 29 0.550 0.745 6.234 1.00 34.13 H new ATOM 0 HA LEU A 29 -0.356 3.387 6.890 1.00 32.34 H new ATOM 0 HB2 LEU A 29 -1.151 1.218 4.961 1.00 14.43 H new ATOM 0 HB3 LEU A 29 -2.258 2.546 5.246 1.00 14.43 H new ATOM 0 HG LEU A 29 -0.877 2.913 3.253 1.00 41.54 H new ATOM 0 HD11 LEU A 29 -0.070 5.192 3.793 1.00 32.10 H new ATOM 0 HD12 LEU A 29 -1.670 4.869 4.500 1.00 32.10 H new ATOM 0 HD13 LEU A 29 -0.218 4.823 5.528 1.00 32.10 H new ATOM 0 HD21 LEU A 29 1.543 3.364 3.442 1.00 45.43 H new ATOM 0 HD22 LEU A 29 1.487 2.904 5.160 1.00 45.43 H new ATOM 0 HD23 LEU A 29 1.136 1.694 3.903 1.00 45.43 H new ATOM 477 N LEU A 30 -2.143 0.798 7.921 1.00 63.11 N ATOM 478 CA LEU A 30 -3.207 0.369 8.843 1.00 42.04 C ATOM 479 C LEU A 30 -2.922 0.819 10.293 1.00 13.44 C ATOM 480 O LEU A 30 -3.829 0.898 11.124 1.00 43.31 O ATOM 481 CB LEU A 30 -3.356 -1.163 8.786 1.00 5.42 C ATOM 482 CG LEU A 30 -4.525 -1.756 9.593 1.00 11.20 C ATOM 483 CD1 LEU A 30 -5.863 -1.236 9.070 1.00 21.22 C ATOM 484 CD2 LEU A 30 -4.487 -3.287 9.559 1.00 12.43 C ATOM 0 H LEU A 30 -1.656 0.028 7.463 1.00 63.11 H new ATOM 0 HA LEU A 30 -4.137 0.842 8.527 1.00 42.04 H new ATOM 0 HB2 LEU A 30 -3.473 -1.459 7.743 1.00 5.42 H new ATOM 0 HB3 LEU A 30 -2.429 -1.612 9.143 1.00 5.42 H new ATOM 0 HG LEU A 30 -4.418 -1.437 10.630 1.00 11.20 H new ATOM 0 HD11 LEU A 30 -6.675 -1.668 9.655 1.00 21.22 H new ATOM 0 HD12 LEU A 30 -5.891 -0.150 9.158 1.00 21.22 H new ATOM 0 HD13 LEU A 30 -5.979 -1.519 8.024 1.00 21.22 H new ATOM 0 HD21 LEU A 30 -5.322 -3.685 10.136 1.00 12.43 H new ATOM 0 HD22 LEU A 30 -4.563 -3.630 8.527 1.00 12.43 H new ATOM 0 HD23 LEU A 30 -3.549 -3.637 9.990 1.00 12.43 H new ATOM 496 N LYS A 31 -1.654 1.112 10.580 1.00 31.55 N ATOM 497 CA LYS A 31 -1.231 1.557 11.914 1.00 12.14 C ATOM 498 C LYS A 31 -1.699 2.992 12.231 1.00 11.11 C ATOM 499 O LYS A 31 -1.855 3.356 13.400 1.00 32.42 O ATOM 500 CB LYS A 31 0.298 1.466 12.027 1.00 21.41 C ATOM 501 CG LYS A 31 0.827 0.035 12.067 1.00 12.30 C ATOM 502 CD LYS A 31 2.336 -0.031 11.832 1.00 73.24 C ATOM 503 CE LYS A 31 3.119 0.845 12.802 1.00 52.03 C ATOM 504 NZ LYS A 31 4.578 0.811 12.518 1.00 33.21 N ATOM 0 H LYS A 31 -0.894 1.049 9.903 1.00 31.55 H new ATOM 0 HA LYS A 31 -1.700 0.898 12.644 1.00 12.14 H new ATOM 0 HB2 LYS A 31 0.747 1.986 11.181 1.00 21.41 H new ATOM 0 HB3 LYS A 31 0.618 1.988 12.929 1.00 21.41 H new ATOM 0 HG2 LYS A 31 0.592 -0.410 13.034 1.00 12.30 H new ATOM 0 HG3 LYS A 31 0.317 -0.560 11.310 1.00 12.30 H new ATOM 0 HD2 LYS A 31 2.670 -1.064 11.930 1.00 73.24 H new ATOM 0 HD3 LYS A 31 2.555 0.279 10.810 1.00 73.24 H new ATOM 0 HE2 LYS A 31 2.759 1.872 12.737 1.00 52.03 H new ATOM 0 HE3 LYS A 31 2.939 0.508 13.823 1.00 52.03 H new ATOM 0 HZ1 LYS A 31 5.026 1.668 12.901 1.00 33.21 H new ATOM 0 HZ2 LYS A 31 4.999 -0.029 12.964 1.00 33.21 H new ATOM 0 HZ3 LYS A 31 4.731 0.771 11.490 1.00 33.21 H new ATOM 518 N ASP A 32 -1.905 3.806 11.195 1.00 65.44 N ATOM 519 CA ASP A 32 -2.366 5.189 11.381 1.00 40.34 C ATOM 520 C ASP A 32 -3.832 5.371 10.946 1.00 35.12 C ATOM 521 O ASP A 32 -4.575 6.147 11.548 1.00 1.25 O ATOM 522 CB ASP A 32 -1.459 6.157 10.611 1.00 10.22 C ATOM 523 CG ASP A 32 -0.055 6.218 11.189 1.00 20.32 C ATOM 524 OD1 ASP A 32 0.113 6.792 12.287 1.00 44.50 O ATOM 525 OD2 ASP A 32 0.891 5.712 10.547 1.00 13.42 O ATOM 0 H ASP A 32 -1.762 3.537 10.222 1.00 65.44 H new ATOM 0 HA ASP A 32 -2.311 5.413 12.446 1.00 40.34 H new ATOM 0 HB2 ASP A 32 -1.406 5.849 9.567 1.00 10.22 H new ATOM 0 HB3 ASP A 32 -1.899 7.154 10.627 1.00 10.22 H new ATOM 530 N MET A 33 -4.244 4.654 9.903 1.00 41.03 N ATOM 531 CA MET A 33 -5.621 4.737 9.402 1.00 61.33 C ATOM 532 C MET A 33 -6.214 3.338 9.161 1.00 20.10 C ATOM 533 O MET A 33 -5.596 2.486 8.524 1.00 15.22 O ATOM 534 CB MET A 33 -5.669 5.584 8.121 1.00 4.01 C ATOM 535 CG MET A 33 -4.736 5.101 7.018 1.00 33.02 C ATOM 536 SD MET A 33 -4.643 6.254 5.631 1.00 2.01 S ATOM 537 CE MET A 33 -6.356 6.311 5.107 1.00 63.15 C ATOM 0 H MET A 33 -3.647 4.008 9.386 1.00 41.03 H new ATOM 0 HA MET A 33 -6.232 5.223 10.163 1.00 61.33 H new ATOM 0 HB2 MET A 33 -6.691 5.590 7.741 1.00 4.01 H new ATOM 0 HB3 MET A 33 -5.416 6.614 8.370 1.00 4.01 H new ATOM 0 HG2 MET A 33 -3.738 4.954 7.430 1.00 33.02 H new ATOM 0 HG3 MET A 33 -5.078 4.131 6.657 1.00 33.02 H new ATOM 0 HE1 MET A 33 -6.410 6.660 4.076 1.00 63.15 H new ATOM 0 HE2 MET A 33 -6.791 5.314 5.176 1.00 63.15 H new ATOM 0 HE3 MET A 33 -6.911 6.994 5.750 1.00 63.15 H new ATOM 547 N ASN A 34 -7.423 3.119 9.673 1.00 2.24 N ATOM 548 CA ASN A 34 -8.073 1.806 9.609 1.00 24.21 C ATOM 549 C ASN A 34 -8.542 1.464 8.184 1.00 62.11 C ATOM 550 O ASN A 34 -8.742 2.349 7.350 1.00 62.23 O ATOM 551 CB ASN A 34 -9.264 1.762 10.575 1.00 63.13 C ATOM 552 CG ASN A 34 -8.849 2.017 12.015 1.00 30.30 C ATOM 553 OD1 ASN A 34 -8.547 1.091 12.761 1.00 13.11 O ATOM 554 ND2 ASN A 34 -8.823 3.273 12.418 1.00 32.12 N ATOM 0 H ASN A 34 -7.977 3.837 10.140 1.00 2.24 H new ATOM 0 HA ASN A 34 -7.334 1.060 9.902 1.00 24.21 H new ATOM 0 HB2 ASN A 34 -10.001 2.507 10.274 1.00 63.13 H new ATOM 0 HB3 ASN A 34 -9.749 0.788 10.506 1.00 63.13 H new ATOM 0 HD21 ASN A 34 -8.546 3.496 13.374 1.00 32.12 H new ATOM 0 HD22 ASN A 34 -9.080 4.021 11.774 1.00 32.12 H new ATOM 561 N GLN A 35 -8.730 0.166 7.928 1.00 42.25 N ATOM 562 CA GLN A 35 -9.157 -0.333 6.610 1.00 11.33 C ATOM 563 C GLN A 35 -10.409 0.391 6.082 1.00 43.22 C ATOM 564 O GLN A 35 -10.538 0.622 4.883 1.00 23.13 O ATOM 565 CB GLN A 35 -9.416 -1.849 6.676 1.00 41.11 C ATOM 566 CG GLN A 35 -10.370 -2.267 7.791 1.00 21.33 C ATOM 567 CD GLN A 35 -10.621 -3.765 7.813 1.00 73.21 C ATOM 568 OE1 GLN A 35 -9.890 -4.521 8.439 1.00 14.11 O ATOM 569 NE2 GLN A 35 -11.666 -4.200 7.137 1.00 61.31 N ATOM 0 H GLN A 35 -8.592 -0.568 8.622 1.00 42.25 H new ATOM 0 HA GLN A 35 -8.346 -0.127 5.912 1.00 11.33 H new ATOM 0 HB2 GLN A 35 -9.823 -2.180 5.720 1.00 41.11 H new ATOM 0 HB3 GLN A 35 -8.465 -2.364 6.813 1.00 41.11 H new ATOM 0 HG2 GLN A 35 -9.959 -1.957 8.752 1.00 21.33 H new ATOM 0 HG3 GLN A 35 -11.319 -1.745 7.667 1.00 21.33 H new ATOM 0 HE21 GLN A 35 -12.254 -3.541 6.626 1.00 61.31 H new ATOM 0 HE22 GLN A 35 -11.887 -5.196 7.125 1.00 61.31 H new ATOM 578 N SER A 36 -11.324 0.755 6.980 1.00 63.41 N ATOM 579 CA SER A 36 -12.551 1.469 6.591 1.00 62.50 C ATOM 580 C SER A 36 -12.255 2.895 6.100 1.00 21.50 C ATOM 581 O SER A 36 -13.007 3.458 5.303 1.00 2.30 O ATOM 582 CB SER A 36 -13.542 1.507 7.763 1.00 2.04 C ATOM 583 OG SER A 36 -12.929 1.999 8.947 1.00 21.33 O ATOM 0 H SER A 36 -11.244 0.570 7.980 1.00 63.41 H new ATOM 0 HA SER A 36 -12.997 0.921 5.761 1.00 62.50 H new ATOM 0 HB2 SER A 36 -14.391 2.138 7.502 1.00 2.04 H new ATOM 0 HB3 SER A 36 -13.933 0.506 7.943 1.00 2.04 H new ATOM 0 HG SER A 36 -13.586 2.013 9.674 1.00 21.33 H new ATOM 589 N SER A 37 -11.165 3.485 6.587 1.00 25.42 N ATOM 590 CA SER A 37 -10.717 4.804 6.114 1.00 62.14 C ATOM 591 C SER A 37 -9.876 4.672 4.836 1.00 4.44 C ATOM 592 O SER A 37 -9.931 5.521 3.945 1.00 72.03 O ATOM 593 CB SER A 37 -9.901 5.516 7.199 1.00 63.23 C ATOM 594 OG SER A 37 -9.476 6.800 6.771 1.00 64.51 O ATOM 0 H SER A 37 -10.572 3.075 7.309 1.00 25.42 H new ATOM 0 HA SER A 37 -11.604 5.396 5.889 1.00 62.14 H new ATOM 0 HB2 SER A 37 -10.502 5.613 8.103 1.00 63.23 H new ATOM 0 HB3 SER A 37 -9.032 4.911 7.458 1.00 63.23 H new ATOM 0 HG SER A 37 -8.960 7.229 7.485 1.00 64.51 H new ATOM 600 N LEU A 38 -9.102 3.593 4.751 1.00 43.13 N ATOM 601 CA LEU A 38 -8.290 3.307 3.563 1.00 62.34 C ATOM 602 C LEU A 38 -9.193 3.054 2.341 1.00 71.53 C ATOM 603 O LEU A 38 -9.031 3.680 1.292 1.00 5.24 O ATOM 604 CB LEU A 38 -7.375 2.095 3.848 1.00 63.32 C ATOM 605 CG LEU A 38 -6.267 1.790 2.811 1.00 50.03 C ATOM 606 CD1 LEU A 38 -6.831 1.144 1.546 1.00 14.43 C ATOM 607 CD2 LEU A 38 -5.489 3.058 2.462 1.00 22.52 C ATOM 0 H LEU A 38 -9.017 2.897 5.492 1.00 43.13 H new ATOM 0 HA LEU A 38 -7.664 4.169 3.333 1.00 62.34 H new ATOM 0 HB2 LEU A 38 -6.899 2.251 4.816 1.00 63.32 H new ATOM 0 HB3 LEU A 38 -8.005 1.210 3.941 1.00 63.32 H new ATOM 0 HG LEU A 38 -5.585 1.074 3.269 1.00 50.03 H new ATOM 0 HD11 LEU A 38 -6.020 0.947 0.845 1.00 14.43 H new ATOM 0 HD12 LEU A 38 -7.323 0.206 1.805 1.00 14.43 H new ATOM 0 HD13 LEU A 38 -7.553 1.817 1.085 1.00 14.43 H new ATOM 0 HD21 LEU A 38 -4.715 2.821 1.732 1.00 22.52 H new ATOM 0 HD22 LEU A 38 -6.170 3.798 2.042 1.00 22.52 H new ATOM 0 HD23 LEU A 38 -5.026 3.461 3.363 1.00 22.52 H new ATOM 619 N ALA A 39 -10.161 2.149 2.497 1.00 31.03 N ATOM 620 CA ALA A 39 -11.110 1.817 1.422 1.00 0.34 C ATOM 621 C ALA A 39 -12.115 2.952 1.158 1.00 54.44 C ATOM 622 O ALA A 39 -12.990 2.832 0.297 1.00 62.23 O ATOM 623 CB ALA A 39 -11.845 0.523 1.758 1.00 21.11 C ATOM 0 H ALA A 39 -10.312 1.628 3.361 1.00 31.03 H new ATOM 0 HA ALA A 39 -10.534 1.682 0.507 1.00 0.34 H new ATOM 0 HB1 ALA A 39 -12.545 0.284 0.958 1.00 21.11 H new ATOM 0 HB2 ALA A 39 -11.124 -0.288 1.864 1.00 21.11 H new ATOM 0 HB3 ALA A 39 -12.391 0.647 2.693 1.00 21.11 H new ATOM 629 N LYS A 40 -11.997 4.041 1.915 1.00 4.54 N ATOM 630 CA LYS A 40 -12.815 5.237 1.695 1.00 3.42 C ATOM 631 C LYS A 40 -12.292 6.024 0.482 1.00 60.11 C ATOM 632 O LYS A 40 -13.046 6.337 -0.440 1.00 63.42 O ATOM 633 CB LYS A 40 -12.814 6.104 2.972 1.00 73.24 C ATOM 634 CG LYS A 40 -13.676 7.370 2.913 1.00 2.45 C ATOM 635 CD LYS A 40 -12.956 8.542 2.243 1.00 12.55 C ATOM 636 CE LYS A 40 -13.814 9.802 2.218 1.00 61.11 C ATOM 637 NZ LYS A 40 -14.160 10.272 3.586 1.00 12.43 N ATOM 0 H LYS A 40 -11.340 4.122 2.691 1.00 4.54 H new ATOM 0 HA LYS A 40 -13.842 4.943 1.480 1.00 3.42 H new ATOM 0 HB2 LYS A 40 -13.156 5.491 3.806 1.00 73.24 H new ATOM 0 HB3 LYS A 40 -11.787 6.395 3.191 1.00 73.24 H new ATOM 0 HG2 LYS A 40 -14.595 7.154 2.368 1.00 2.45 H new ATOM 0 HG3 LYS A 40 -13.964 7.656 3.924 1.00 2.45 H new ATOM 0 HD2 LYS A 40 -12.026 8.747 2.774 1.00 12.55 H new ATOM 0 HD3 LYS A 40 -12.687 8.267 1.223 1.00 12.55 H new ATOM 0 HE2 LYS A 40 -13.282 10.592 1.688 1.00 61.11 H new ATOM 0 HE3 LYS A 40 -14.730 9.605 1.661 1.00 61.11 H new ATOM 0 HZ1 LYS A 40 -14.564 11.229 3.532 1.00 12.43 H new ATOM 0 HZ2 LYS A 40 -14.856 9.625 4.010 1.00 12.43 H new ATOM 0 HZ3 LYS A 40 -13.302 10.291 4.174 1.00 12.43 H new ATOM 651 N GLU A 41 -10.993 6.336 0.494 1.00 70.41 N ATOM 652 CA GLU A 41 -10.351 7.052 -0.618 1.00 3.21 C ATOM 653 C GLU A 41 -9.894 6.090 -1.721 1.00 31.21 C ATOM 654 O GLU A 41 -9.994 6.398 -2.909 1.00 5.21 O ATOM 655 CB GLU A 41 -9.154 7.870 -0.109 1.00 74.41 C ATOM 656 CG GLU A 41 -9.548 9.141 0.636 1.00 4.13 C ATOM 657 CD GLU A 41 -10.262 10.143 -0.262 1.00 34.21 C ATOM 658 OE1 GLU A 41 -9.578 10.900 -0.985 1.00 10.45 O ATOM 659 OE2 GLU A 41 -11.510 10.167 -0.268 1.00 73.54 O ATOM 0 H GLU A 41 -10.362 6.105 1.262 1.00 70.41 H new ATOM 0 HA GLU A 41 -11.093 7.727 -1.045 1.00 3.21 H new ATOM 0 HB2 GLU A 41 -8.553 7.245 0.551 1.00 74.41 H new ATOM 0 HB3 GLU A 41 -8.522 8.138 -0.956 1.00 74.41 H new ATOM 0 HG2 GLU A 41 -10.196 8.882 1.474 1.00 4.13 H new ATOM 0 HG3 GLU A 41 -8.655 9.605 1.055 1.00 4.13 H new ATOM 666 N CYS A 42 -9.385 4.928 -1.324 1.00 33.11 N ATOM 667 CA CYS A 42 -8.955 3.907 -2.286 1.00 30.52 C ATOM 668 C CYS A 42 -10.151 3.053 -2.741 1.00 72.01 C ATOM 669 O CYS A 42 -10.781 2.380 -1.928 1.00 5.13 O ATOM 670 CB CYS A 42 -7.872 3.007 -1.674 1.00 44.33 C ATOM 671 SG CYS A 42 -7.185 1.789 -2.823 1.00 62.31 S ATOM 0 H CYS A 42 -9.258 4.666 -0.346 1.00 33.11 H new ATOM 0 HA CYS A 42 -8.537 4.417 -3.154 1.00 30.52 H new ATOM 0 HB2 CYS A 42 -7.063 3.634 -1.300 1.00 44.33 H new ATOM 0 HB3 CYS A 42 -8.293 2.483 -0.815 1.00 44.33 H new ATOM 0 HG CYS A 42 -6.142 1.227 -2.287 1.00 62.31 H new ATOM 677 N PRO A 43 -10.469 3.050 -4.054 1.00 43.33 N ATOM 678 CA PRO A 43 -11.671 2.367 -4.587 1.00 50.14 C ATOM 679 C PRO A 43 -11.583 0.824 -4.590 1.00 71.23 C ATOM 680 O PRO A 43 -12.322 0.159 -5.314 1.00 61.45 O ATOM 681 CB PRO A 43 -11.753 2.898 -6.024 1.00 73.43 C ATOM 682 CG PRO A 43 -10.341 3.216 -6.388 1.00 50.42 C ATOM 683 CD PRO A 43 -9.695 3.719 -5.122 1.00 44.12 C ATOM 0 HA PRO A 43 -12.544 2.572 -3.967 1.00 50.14 H new ATOM 0 HB2 PRO A 43 -12.178 2.154 -6.698 1.00 73.43 H new ATOM 0 HB3 PRO A 43 -12.387 3.783 -6.084 1.00 73.43 H new ATOM 0 HG2 PRO A 43 -9.826 2.333 -6.766 1.00 50.42 H new ATOM 0 HG3 PRO A 43 -10.300 3.970 -7.174 1.00 50.42 H new ATOM 0 HD2 PRO A 43 -8.638 3.455 -5.078 1.00 44.12 H new ATOM 0 HD3 PRO A 43 -9.756 4.804 -5.043 1.00 44.12 H new ATOM 691 N LEU A 44 -10.700 0.258 -3.773 1.00 20.21 N ATOM 692 CA LEU A 44 -10.534 -1.198 -3.695 1.00 51.25 C ATOM 693 C LEU A 44 -11.534 -1.832 -2.714 1.00 43.11 C ATOM 694 O LEU A 44 -12.073 -1.160 -1.832 1.00 65.23 O ATOM 695 CB LEU A 44 -9.099 -1.542 -3.268 1.00 3.24 C ATOM 696 CG LEU A 44 -7.991 -1.105 -4.244 1.00 23.01 C ATOM 697 CD1 LEU A 44 -6.608 -1.458 -3.694 1.00 45.20 C ATOM 698 CD2 LEU A 44 -8.205 -1.743 -5.613 1.00 51.34 C ATOM 0 H LEU A 44 -10.085 0.783 -3.152 1.00 20.21 H new ATOM 0 HA LEU A 44 -10.730 -1.607 -4.686 1.00 51.25 H new ATOM 0 HB2 LEU A 44 -8.907 -1.081 -2.299 1.00 3.24 H new ATOM 0 HB3 LEU A 44 -9.030 -2.621 -3.127 1.00 3.24 H new ATOM 0 HG LEU A 44 -8.042 -0.022 -4.355 1.00 23.01 H new ATOM 0 HD11 LEU A 44 -5.843 -1.139 -4.402 1.00 45.20 H new ATOM 0 HD12 LEU A 44 -6.455 -0.951 -2.741 1.00 45.20 H new ATOM 0 HD13 LEU A 44 -6.539 -2.536 -3.547 1.00 45.20 H new ATOM 0 HD21 LEU A 44 -7.413 -1.424 -6.291 1.00 51.34 H new ATOM 0 HD22 LEU A 44 -8.184 -2.828 -5.516 1.00 51.34 H new ATOM 0 HD23 LEU A 44 -9.171 -1.433 -6.012 1.00 51.34 H new ATOM 710 N SER A 45 -11.775 -3.133 -2.873 1.00 34.20 N ATOM 711 CA SER A 45 -12.666 -3.876 -1.969 1.00 32.23 C ATOM 712 C SER A 45 -12.106 -3.910 -0.540 1.00 71.25 C ATOM 713 O SER A 45 -11.058 -4.506 -0.290 1.00 43.45 O ATOM 714 CB SER A 45 -12.883 -5.308 -2.476 1.00 2.20 C ATOM 715 OG SER A 45 -13.605 -6.088 -1.533 1.00 41.30 O ATOM 0 H SER A 45 -11.368 -3.698 -3.618 1.00 34.20 H new ATOM 0 HA SER A 45 -13.624 -3.356 -1.953 1.00 32.23 H new ATOM 0 HB2 SER A 45 -13.426 -5.283 -3.421 1.00 2.20 H new ATOM 0 HB3 SER A 45 -11.919 -5.775 -2.675 1.00 2.20 H new ATOM 0 HG SER A 45 -13.729 -6.994 -1.885 1.00 41.30 H new ATOM 721 N GLN A 46 -12.828 -3.278 0.388 1.00 71.14 N ATOM 722 CA GLN A 46 -12.412 -3.166 1.797 1.00 64.33 C ATOM 723 C GLN A 46 -11.882 -4.497 2.366 1.00 4.53 C ATOM 724 O GLN A 46 -10.755 -4.572 2.864 1.00 72.35 O ATOM 725 CB GLN A 46 -13.602 -2.674 2.635 1.00 51.14 C ATOM 726 CG GLN A 46 -13.292 -2.463 4.113 1.00 72.24 C ATOM 727 CD GLN A 46 -14.515 -2.011 4.898 1.00 22.43 C ATOM 728 OE1 GLN A 46 -14.782 -0.821 5.032 1.00 5.22 O ATOM 729 NE2 GLN A 46 -15.268 -2.956 5.422 1.00 24.45 N ATOM 0 H GLN A 46 -13.721 -2.827 0.188 1.00 71.14 H new ATOM 0 HA GLN A 46 -11.590 -2.452 1.845 1.00 64.33 H new ATOM 0 HB2 GLN A 46 -13.962 -1.735 2.215 1.00 51.14 H new ATOM 0 HB3 GLN A 46 -14.415 -3.395 2.547 1.00 51.14 H new ATOM 0 HG2 GLN A 46 -12.912 -3.392 4.539 1.00 72.24 H new ATOM 0 HG3 GLN A 46 -12.502 -1.719 4.214 1.00 72.24 H new ATOM 0 HE21 GLN A 46 -15.019 -3.937 5.293 1.00 24.45 H new ATOM 0 HE22 GLN A 46 -16.100 -2.707 5.957 1.00 24.45 H new ATOM 738 N SER A 47 -12.698 -5.545 2.279 1.00 52.03 N ATOM 739 CA SER A 47 -12.324 -6.866 2.808 1.00 60.03 C ATOM 740 C SER A 47 -11.131 -7.471 2.050 1.00 64.23 C ATOM 741 O SER A 47 -10.332 -8.213 2.621 1.00 1.13 O ATOM 742 CB SER A 47 -13.523 -7.821 2.748 1.00 22.32 C ATOM 743 OG SER A 47 -14.613 -7.322 3.510 1.00 2.33 O ATOM 0 H SER A 47 -13.622 -5.511 1.849 1.00 52.03 H new ATOM 0 HA SER A 47 -12.021 -6.728 3.846 1.00 60.03 H new ATOM 0 HB2 SER A 47 -13.832 -7.957 1.712 1.00 22.32 H new ATOM 0 HB3 SER A 47 -13.230 -8.801 3.125 1.00 22.32 H new ATOM 0 HG SER A 47 -15.365 -7.948 3.454 1.00 2.33 H new ATOM 749 N MET A 48 -10.999 -7.125 0.769 1.00 13.02 N ATOM 750 CA MET A 48 -9.916 -7.654 -0.073 1.00 41.11 C ATOM 751 C MET A 48 -8.559 -7.026 0.308 1.00 61.54 C ATOM 752 O MET A 48 -7.522 -7.377 -0.250 1.00 74.12 O ATOM 753 CB MET A 48 -10.235 -7.403 -1.559 1.00 54.13 C ATOM 754 CG MET A 48 -9.781 -8.519 -2.502 1.00 62.41 C ATOM 755 SD MET A 48 -7.987 -8.702 -2.590 1.00 22.03 S ATOM 756 CE MET A 48 -7.847 -10.084 -3.725 1.00 71.34 C ATOM 0 H MET A 48 -11.627 -6.481 0.288 1.00 13.02 H new ATOM 0 HA MET A 48 -9.842 -8.728 0.095 1.00 41.11 H new ATOM 0 HB2 MET A 48 -11.311 -7.267 -1.669 1.00 54.13 H new ATOM 0 HB3 MET A 48 -9.763 -6.470 -1.867 1.00 54.13 H new ATOM 0 HG2 MET A 48 -10.219 -9.462 -2.174 1.00 62.41 H new ATOM 0 HG3 MET A 48 -10.167 -8.319 -3.501 1.00 62.41 H new ATOM 0 HE1 MET A 48 -6.836 -10.120 -4.131 1.00 71.34 H new ATOM 0 HE2 MET A 48 -8.059 -11.013 -3.195 1.00 71.34 H new ATOM 0 HE3 MET A 48 -8.561 -9.960 -4.539 1.00 71.34 H new ATOM 766 N ILE A 49 -8.578 -6.064 1.230 1.00 63.14 N ATOM 767 CA ILE A 49 -7.345 -5.522 1.822 1.00 53.10 C ATOM 768 C ILE A 49 -7.034 -6.219 3.158 1.00 13.43 C ATOM 769 O ILE A 49 -5.942 -6.752 3.353 1.00 34.03 O ATOM 770 CB ILE A 49 -7.437 -3.979 2.036 1.00 73.35 C ATOM 771 CG1 ILE A 49 -7.195 -3.218 0.714 1.00 75.30 C ATOM 772 CG2 ILE A 49 -6.453 -3.502 3.110 1.00 15.24 C ATOM 773 CD1 ILE A 49 -8.244 -3.457 -0.350 1.00 43.34 C ATOM 0 H ILE A 49 -9.434 -5.640 1.587 1.00 63.14 H new ATOM 0 HA ILE A 49 -6.535 -5.717 1.119 1.00 53.10 H new ATOM 0 HB ILE A 49 -8.448 -3.761 2.381 1.00 73.35 H new ATOM 0 HG12 ILE A 49 -7.149 -2.150 0.928 1.00 75.30 H new ATOM 0 HG13 ILE A 49 -6.221 -3.506 0.317 1.00 75.30 H new ATOM 0 HG21 ILE A 49 -6.544 -2.423 3.233 1.00 15.24 H new ATOM 0 HG22 ILE A 49 -6.679 -3.995 4.055 1.00 15.24 H new ATOM 0 HG23 ILE A 49 -5.435 -3.748 2.806 1.00 15.24 H new ATOM 0 HD11 ILE A 49 -7.994 -2.884 -1.243 1.00 43.34 H new ATOM 0 HD12 ILE A 49 -8.276 -4.518 -0.597 1.00 43.34 H new ATOM 0 HD13 ILE A 49 -9.219 -3.142 0.023 1.00 43.34 H new ATOM 785 N SER A 50 -8.015 -6.232 4.061 1.00 21.24 N ATOM 786 CA SER A 50 -7.837 -6.818 5.402 1.00 54.55 C ATOM 787 C SER A 50 -7.459 -8.310 5.337 1.00 54.15 C ATOM 788 O SER A 50 -6.564 -8.766 6.048 1.00 74.23 O ATOM 789 CB SER A 50 -9.120 -6.648 6.224 1.00 44.21 C ATOM 790 OG SER A 50 -8.936 -7.047 7.576 1.00 43.41 O ATOM 0 H SER A 50 -8.944 -5.845 3.894 1.00 21.24 H new ATOM 0 HA SER A 50 -7.015 -6.287 5.882 1.00 54.55 H new ATOM 0 HB2 SER A 50 -9.437 -5.606 6.192 1.00 44.21 H new ATOM 0 HB3 SER A 50 -9.920 -7.238 5.776 1.00 44.21 H new ATOM 0 HG SER A 50 -9.203 -6.316 8.172 1.00 43.41 H new ATOM 796 N SER A 51 -8.133 -9.062 4.468 1.00 42.34 N ATOM 797 CA SER A 51 -7.889 -10.509 4.337 1.00 35.22 C ATOM 798 C SER A 51 -6.434 -10.828 3.948 1.00 53.51 C ATOM 799 O SER A 51 -5.901 -11.873 4.324 1.00 10.00 O ATOM 800 CB SER A 51 -8.850 -11.129 3.313 1.00 72.43 C ATOM 801 OG SER A 51 -10.201 -10.982 3.725 1.00 74.30 O ATOM 0 H SER A 51 -8.852 -8.700 3.842 1.00 42.34 H new ATOM 0 HA SER A 51 -8.070 -10.947 5.318 1.00 35.22 H new ATOM 0 HB2 SER A 51 -8.709 -10.653 2.343 1.00 72.43 H new ATOM 0 HB3 SER A 51 -8.618 -12.187 3.186 1.00 72.43 H new ATOM 0 HG SER A 51 -10.530 -10.099 3.457 1.00 74.30 H new ATOM 807 N ILE A 52 -5.791 -9.925 3.202 1.00 54.13 N ATOM 808 CA ILE A 52 -4.397 -10.127 2.777 1.00 31.11 C ATOM 809 C ILE A 52 -3.428 -10.009 3.971 1.00 2.01 C ATOM 810 O ILE A 52 -2.339 -10.587 3.968 1.00 33.13 O ATOM 811 CB ILE A 52 -3.989 -9.119 1.667 1.00 2.11 C ATOM 812 CG1 ILE A 52 -4.932 -9.246 0.457 1.00 43.23 C ATOM 813 CG2 ILE A 52 -2.536 -9.333 1.235 1.00 23.33 C ATOM 814 CD1 ILE A 52 -4.582 -8.323 -0.695 1.00 64.01 C ATOM 0 H ILE A 52 -6.208 -9.051 2.880 1.00 54.13 H new ATOM 0 HA ILE A 52 -4.331 -11.136 2.369 1.00 31.11 H new ATOM 0 HB ILE A 52 -4.074 -8.112 2.076 1.00 2.11 H new ATOM 0 HG12 ILE A 52 -4.915 -10.276 0.102 1.00 43.23 H new ATOM 0 HG13 ILE A 52 -5.952 -9.037 0.780 1.00 43.23 H new ATOM 0 HG21 ILE A 52 -2.278 -8.614 0.457 1.00 23.33 H new ATOM 0 HG22 ILE A 52 -1.877 -9.193 2.092 1.00 23.33 H new ATOM 0 HG23 ILE A 52 -2.417 -10.345 0.847 1.00 23.33 H new ATOM 0 HD11 ILE A 52 -5.292 -8.472 -1.509 1.00 64.01 H new ATOM 0 HD12 ILE A 52 -4.628 -7.287 -0.358 1.00 64.01 H new ATOM 0 HD13 ILE A 52 -3.575 -8.546 -1.047 1.00 64.01 H new ATOM 826 N VAL A 53 -3.840 -9.262 4.994 1.00 35.31 N ATOM 827 CA VAL A 53 -3.046 -9.121 6.218 1.00 62.33 C ATOM 828 C VAL A 53 -3.002 -10.441 7.009 1.00 53.34 C ATOM 829 O VAL A 53 -1.943 -10.859 7.488 1.00 5.45 O ATOM 830 CB VAL A 53 -3.614 -7.996 7.125 1.00 73.44 C ATOM 831 CG1 VAL A 53 -2.786 -7.842 8.402 1.00 5.41 C ATOM 832 CG2 VAL A 53 -3.689 -6.673 6.359 1.00 2.14 C ATOM 0 H VAL A 53 -4.719 -8.744 5.002 1.00 35.31 H new ATOM 0 HA VAL A 53 -2.033 -8.857 5.915 1.00 62.33 H new ATOM 0 HB VAL A 53 -4.625 -8.279 7.419 1.00 73.44 H new ATOM 0 HG11 VAL A 53 -3.209 -7.047 9.016 1.00 5.41 H new ATOM 0 HG12 VAL A 53 -2.801 -8.778 8.960 1.00 5.41 H new ATOM 0 HG13 VAL A 53 -1.758 -7.591 8.141 1.00 5.41 H new ATOM 0 HG21 VAL A 53 -4.089 -5.897 7.011 1.00 2.14 H new ATOM 0 HG22 VAL A 53 -2.691 -6.388 6.026 1.00 2.14 H new ATOM 0 HG23 VAL A 53 -4.340 -6.790 5.493 1.00 2.14 H new ATOM 842 N ASN A 54 -4.157 -11.094 7.125 1.00 10.43 N ATOM 843 CA ASN A 54 -4.288 -12.341 7.893 1.00 3.43 C ATOM 844 C ASN A 54 -3.827 -13.578 7.098 1.00 34.12 C ATOM 845 O ASN A 54 -3.240 -14.507 7.660 1.00 44.11 O ATOM 846 CB ASN A 54 -5.746 -12.537 8.318 1.00 13.22 C ATOM 847 CG ASN A 54 -6.281 -11.375 9.129 1.00 72.35 C ATOM 848 OD1 ASN A 54 -6.796 -10.408 8.582 1.00 64.12 O ATOM 849 ND2 ASN A 54 -6.174 -11.461 10.439 1.00 3.21 N ATOM 0 H ASN A 54 -5.026 -10.780 6.694 1.00 10.43 H new ATOM 0 HA ASN A 54 -3.641 -12.246 8.765 1.00 3.43 H new ATOM 0 HB2 ASN A 54 -6.364 -12.670 7.430 1.00 13.22 H new ATOM 0 HB3 ASN A 54 -5.829 -13.452 8.904 1.00 13.22 H new ATOM 0 HD21 ASN A 54 -6.526 -10.708 11.030 1.00 3.21 H new ATOM 0 HD22 ASN A 54 -5.739 -12.281 10.862 1.00 3.21 H new ATOM 856 N SER A 55 -4.111 -13.598 5.796 1.00 42.01 N ATOM 857 CA SER A 55 -3.831 -14.779 4.966 1.00 55.11 C ATOM 858 C SER A 55 -2.329 -14.949 4.689 1.00 33.41 C ATOM 859 O SER A 55 -1.779 -14.355 3.762 1.00 24.34 O ATOM 860 CB SER A 55 -4.600 -14.705 3.640 1.00 54.14 C ATOM 861 OG SER A 55 -4.424 -15.891 2.876 1.00 2.22 O ATOM 0 H SER A 55 -4.532 -12.818 5.292 1.00 42.01 H new ATOM 0 HA SER A 55 -4.167 -15.649 5.530 1.00 55.11 H new ATOM 0 HB2 SER A 55 -5.661 -14.552 3.840 1.00 54.14 H new ATOM 0 HB3 SER A 55 -4.257 -13.845 3.065 1.00 54.14 H new ATOM 0 HG SER A 55 -4.787 -16.655 3.370 1.00 2.22 H new ATOM 867 N THR A 56 -1.675 -15.768 5.511 1.00 72.50 N ATOM 868 CA THR A 56 -0.239 -16.056 5.369 1.00 54.40 C ATOM 869 C THR A 56 0.063 -16.868 4.100 1.00 42.11 C ATOM 870 O THR A 56 1.136 -16.749 3.509 1.00 2.14 O ATOM 871 CB THR A 56 0.286 -16.854 6.587 1.00 55.45 C ATOM 872 OG1 THR A 56 -0.473 -18.067 6.734 1.00 20.25 O ATOM 873 CG2 THR A 56 0.190 -16.032 7.871 1.00 11.03 C ATOM 0 H THR A 56 -2.118 -16.251 6.292 1.00 72.50 H new ATOM 0 HA THR A 56 0.262 -15.090 5.304 1.00 54.40 H new ATOM 0 HB THR A 56 1.335 -17.091 6.411 1.00 55.45 H new ATOM 0 HG1 THR A 56 -0.138 -18.571 7.505 1.00 20.25 H new ATOM 0 HG21 THR A 56 0.566 -16.620 8.708 1.00 11.03 H new ATOM 0 HG22 THR A 56 0.786 -15.125 7.768 1.00 11.03 H new ATOM 0 HG23 THR A 56 -0.850 -15.764 8.054 1.00 11.03 H new ATOM 881 N TYR A 57 -0.892 -17.695 3.691 1.00 14.11 N ATOM 882 CA TYR A 57 -0.721 -18.582 2.532 1.00 64.43 C ATOM 883 C TYR A 57 -1.060 -17.878 1.205 1.00 75.44 C ATOM 884 O TYR A 57 -1.031 -18.500 0.142 1.00 15.43 O ATOM 885 CB TYR A 57 -1.606 -19.828 2.705 1.00 5.52 C ATOM 886 CG TYR A 57 -3.092 -19.516 2.842 1.00 61.11 C ATOM 887 CD1 TYR A 57 -3.662 -19.268 4.089 1.00 44.03 C ATOM 888 CD2 TYR A 57 -3.921 -19.463 1.724 1.00 52.25 C ATOM 889 CE1 TYR A 57 -5.010 -18.977 4.214 1.00 53.45 C ATOM 890 CE2 TYR A 57 -5.267 -19.171 1.844 1.00 65.25 C ATOM 891 CZ TYR A 57 -5.806 -18.930 3.090 1.00 1.21 C ATOM 892 OH TYR A 57 -7.149 -18.641 3.207 1.00 72.31 O ATOM 0 H TYR A 57 -1.802 -17.774 4.145 1.00 14.11 H new ATOM 0 HA TYR A 57 0.329 -18.871 2.487 1.00 64.43 H new ATOM 0 HB2 TYR A 57 -1.460 -20.487 1.849 1.00 5.52 H new ATOM 0 HB3 TYR A 57 -1.277 -20.376 3.588 1.00 5.52 H new ATOM 0 HD1 TYR A 57 -3.042 -19.303 4.973 1.00 44.03 H new ATOM 0 HD2 TYR A 57 -3.505 -19.653 0.746 1.00 52.25 H new ATOM 0 HE1 TYR A 57 -5.436 -18.788 5.188 1.00 53.45 H new ATOM 0 HE2 TYR A 57 -5.894 -19.132 0.965 1.00 65.25 H new ATOM 0 HH TYR A 57 -7.563 -18.647 2.319 1.00 72.31 H new ATOM 902 N TYR A 58 -1.371 -16.586 1.266 1.00 54.54 N ATOM 903 CA TYR A 58 -1.813 -15.843 0.080 1.00 22.44 C ATOM 904 C TYR A 58 -0.616 -15.389 -0.777 1.00 62.31 C ATOM 905 O TYR A 58 -0.051 -14.315 -0.560 1.00 13.51 O ATOM 906 CB TYR A 58 -2.660 -14.634 0.511 1.00 2.20 C ATOM 907 CG TYR A 58 -3.656 -14.171 -0.536 1.00 2.10 C ATOM 908 CD1 TYR A 58 -4.789 -14.929 -0.818 1.00 34.14 C ATOM 909 CD2 TYR A 58 -3.473 -12.980 -1.233 1.00 0.11 C ATOM 910 CE1 TYR A 58 -5.710 -14.515 -1.762 1.00 51.13 C ATOM 911 CE2 TYR A 58 -4.390 -12.561 -2.178 1.00 12.21 C ATOM 912 CZ TYR A 58 -5.505 -13.332 -2.438 1.00 74.32 C ATOM 913 OH TYR A 58 -6.421 -12.914 -3.381 1.00 54.02 O ATOM 0 H TYR A 58 -1.327 -16.029 2.120 1.00 54.54 H new ATOM 0 HA TYR A 58 -2.422 -16.506 -0.534 1.00 22.44 H new ATOM 0 HB2 TYR A 58 -3.200 -14.889 1.423 1.00 2.20 H new ATOM 0 HB3 TYR A 58 -1.994 -13.806 0.755 1.00 2.20 H new ATOM 0 HD1 TYR A 58 -4.951 -15.857 -0.290 1.00 34.14 H new ATOM 0 HD2 TYR A 58 -2.602 -12.375 -1.032 1.00 0.11 H new ATOM 0 HE1 TYR A 58 -6.584 -15.115 -1.968 1.00 51.13 H new ATOM 0 HE2 TYR A 58 -4.235 -11.634 -2.711 1.00 12.21 H new ATOM 0 HH TYR A 58 -7.312 -13.241 -3.139 1.00 54.02 H new ATOM 923 N ALA A 59 -0.223 -16.225 -1.739 1.00 15.03 N ATOM 924 CA ALA A 59 0.906 -15.914 -2.626 1.00 22.33 C ATOM 925 C ALA A 59 0.463 -15.097 -3.850 1.00 44.14 C ATOM 926 O ALA A 59 0.891 -13.958 -4.039 1.00 31.31 O ATOM 927 CB ALA A 59 1.592 -17.203 -3.066 1.00 60.23 C ATOM 0 H ALA A 59 -0.668 -17.124 -1.926 1.00 15.03 H new ATOM 0 HA ALA A 59 1.613 -15.302 -2.066 1.00 22.33 H new ATOM 0 HB1 ALA A 59 2.428 -16.964 -3.723 1.00 60.23 H new ATOM 0 HB2 ALA A 59 1.960 -17.737 -2.190 1.00 60.23 H new ATOM 0 HB3 ALA A 59 0.879 -17.831 -3.600 1.00 60.23 H new ATOM 933 N ASN A 60 -0.390 -15.685 -4.685 1.00 61.24 N ATOM 934 CA ASN A 60 -0.877 -15.009 -5.891 1.00 41.01 C ATOM 935 C ASN A 60 -2.134 -14.174 -5.604 1.00 61.22 C ATOM 936 O ASN A 60 -3.074 -14.637 -4.956 1.00 61.14 O ATOM 937 CB ASN A 60 -1.160 -16.035 -6.994 1.00 62.44 C ATOM 938 CG ASN A 60 0.093 -16.781 -7.437 1.00 41.40 C ATOM 939 OD1 ASN A 60 1.234 -16.115 -7.424 1.00 44.34 O flip ATOM 940 ND2 ASN A 60 0.035 -17.950 -7.804 1.00 52.51 N flip ATOM 0 H ASN A 60 -0.759 -16.626 -4.552 1.00 61.24 H new ATOM 0 HA ASN A 60 -0.097 -14.326 -6.228 1.00 41.01 H new ATOM 0 HB2 ASN A 60 -1.898 -16.753 -6.636 1.00 62.44 H new ATOM 0 HB3 ASN A 60 -1.599 -15.528 -7.853 1.00 62.44 H new ATOM 0 HD21 ASN A 60 -0.859 -18.441 -7.804 1.00 52.51 H new ATOM 0 HD22 ASN A 60 0.881 -18.431 -8.109 1.00 52.51 H new ATOM 947 N VAL A 61 -2.136 -12.938 -6.093 1.00 43.15 N ATOM 948 CA VAL A 61 -3.259 -12.014 -5.887 1.00 31.50 C ATOM 949 C VAL A 61 -3.806 -11.498 -7.232 1.00 43.42 C ATOM 950 O VAL A 61 -3.096 -11.492 -8.242 1.00 1.22 O ATOM 951 CB VAL A 61 -2.829 -10.809 -5.004 1.00 63.33 C ATOM 952 CG1 VAL A 61 -1.738 -9.994 -5.696 1.00 43.24 C ATOM 953 CG2 VAL A 61 -4.026 -9.926 -4.639 1.00 1.34 C ATOM 0 H VAL A 61 -1.369 -12.546 -6.639 1.00 43.15 H new ATOM 0 HA VAL A 61 -4.047 -12.566 -5.376 1.00 31.50 H new ATOM 0 HB VAL A 61 -2.421 -11.207 -4.075 1.00 63.33 H new ATOM 0 HG11 VAL A 61 -1.452 -9.156 -5.061 1.00 43.24 H new ATOM 0 HG12 VAL A 61 -0.869 -10.627 -5.875 1.00 43.24 H new ATOM 0 HG13 VAL A 61 -2.114 -9.617 -6.647 1.00 43.24 H new ATOM 0 HG21 VAL A 61 -3.689 -9.093 -4.021 1.00 1.34 H new ATOM 0 HG22 VAL A 61 -4.485 -9.540 -5.549 1.00 1.34 H new ATOM 0 HG23 VAL A 61 -4.758 -10.515 -4.086 1.00 1.34 H new ATOM 963 N SER A 62 -5.075 -11.087 -7.242 1.00 42.14 N ATOM 964 CA SER A 62 -5.686 -10.466 -8.425 1.00 40.12 C ATOM 965 C SER A 62 -4.828 -9.295 -8.934 1.00 2.12 C ATOM 966 O SER A 62 -4.588 -8.334 -8.200 1.00 14.42 O ATOM 967 CB SER A 62 -7.098 -9.962 -8.090 1.00 62.52 C ATOM 968 OG SER A 62 -7.917 -11.010 -7.596 1.00 74.31 O ATOM 0 H SER A 62 -5.704 -11.172 -6.443 1.00 42.14 H new ATOM 0 HA SER A 62 -5.748 -11.221 -9.209 1.00 40.12 H new ATOM 0 HB2 SER A 62 -7.036 -9.166 -7.348 1.00 62.52 H new ATOM 0 HB3 SER A 62 -7.554 -9.531 -8.982 1.00 62.52 H new ATOM 0 HG SER A 62 -8.808 -10.659 -7.390 1.00 74.31 H new ATOM 974 N ALA A 63 -4.384 -9.378 -10.193 1.00 11.22 N ATOM 975 CA ALA A 63 -3.478 -8.372 -10.783 1.00 43.20 C ATOM 976 C ALA A 63 -3.975 -6.933 -10.564 1.00 42.54 C ATOM 977 O ALA A 63 -3.179 -6.020 -10.321 1.00 35.35 O ATOM 978 CB ALA A 63 -3.299 -8.642 -12.272 1.00 30.33 C ATOM 0 H ALA A 63 -4.636 -10.134 -10.830 1.00 11.22 H new ATOM 0 HA ALA A 63 -2.519 -8.462 -10.273 1.00 43.20 H new ATOM 0 HB1 ALA A 63 -2.629 -7.895 -12.699 1.00 30.33 H new ATOM 0 HB2 ALA A 63 -2.872 -9.635 -12.413 1.00 30.33 H new ATOM 0 HB3 ALA A 63 -4.267 -8.589 -12.770 1.00 30.33 H new ATOM 984 N ALA A 64 -5.292 -6.745 -10.653 1.00 73.45 N ATOM 985 CA ALA A 64 -5.919 -5.438 -10.420 1.00 1.13 C ATOM 986 C ALA A 64 -5.428 -4.785 -9.116 1.00 33.02 C ATOM 987 O ALA A 64 -5.077 -3.606 -9.099 1.00 71.12 O ATOM 988 CB ALA A 64 -7.438 -5.586 -10.400 1.00 41.13 C ATOM 0 H ALA A 64 -5.952 -7.486 -10.887 1.00 73.45 H new ATOM 0 HA ALA A 64 -5.628 -4.781 -11.240 1.00 1.13 H new ATOM 0 HB1 ALA A 64 -7.896 -4.612 -10.227 1.00 41.13 H new ATOM 0 HB2 ALA A 64 -7.778 -5.982 -11.357 1.00 41.13 H new ATOM 0 HB3 ALA A 64 -7.726 -6.270 -9.602 1.00 41.13 H new ATOM 994 N LYS A 65 -5.367 -5.570 -8.037 1.00 14.20 N ATOM 995 CA LYS A 65 -4.959 -5.055 -6.719 1.00 44.25 C ATOM 996 C LYS A 65 -3.585 -4.362 -6.764 1.00 65.04 C ATOM 997 O LYS A 65 -3.339 -3.407 -6.028 1.00 21.42 O ATOM 998 CB LYS A 65 -4.927 -6.193 -5.686 1.00 62.40 C ATOM 999 CG LYS A 65 -6.284 -6.853 -5.443 1.00 51.15 C ATOM 1000 CD LYS A 65 -7.317 -5.874 -4.880 1.00 1.30 C ATOM 1001 CE LYS A 65 -6.894 -5.307 -3.526 1.00 22.31 C ATOM 1002 NZ LYS A 65 -6.735 -6.370 -2.495 1.00 34.12 N ATOM 0 H LYS A 65 -5.594 -6.564 -8.046 1.00 14.20 H new ATOM 0 HA LYS A 65 -5.699 -4.311 -6.426 1.00 44.25 H new ATOM 0 HB2 LYS A 65 -4.220 -6.953 -6.020 1.00 62.40 H new ATOM 0 HB3 LYS A 65 -4.551 -5.801 -4.741 1.00 62.40 H new ATOM 0 HG2 LYS A 65 -6.655 -7.270 -6.379 1.00 51.15 H new ATOM 0 HG3 LYS A 65 -6.161 -7.685 -4.750 1.00 51.15 H new ATOM 0 HD2 LYS A 65 -7.463 -5.056 -5.585 1.00 1.30 H new ATOM 0 HD3 LYS A 65 -8.277 -6.380 -4.777 1.00 1.30 H new ATOM 0 HE2 LYS A 65 -5.953 -4.768 -3.638 1.00 22.31 H new ATOM 0 HE3 LYS A 65 -7.637 -4.584 -3.189 1.00 22.31 H new ATOM 0 HZ1 LYS A 65 -7.112 -6.032 -1.587 1.00 34.12 H new ATOM 0 HZ2 LYS A 65 -7.255 -7.221 -2.790 1.00 34.12 H new ATOM 0 HZ3 LYS A 65 -5.727 -6.601 -2.387 1.00 34.12 H new ATOM 1016 N CYS A 66 -2.701 -4.848 -7.631 1.00 21.22 N ATOM 1017 CA CYS A 66 -1.349 -4.289 -7.758 1.00 12.41 C ATOM 1018 C CYS A 66 -1.348 -2.954 -8.518 1.00 34.25 C ATOM 1019 O CYS A 66 -0.852 -1.942 -8.019 1.00 65.01 O ATOM 1020 CB CYS A 66 -0.428 -5.288 -8.471 1.00 14.13 C ATOM 1021 SG CYS A 66 1.247 -4.675 -8.779 1.00 52.00 S ATOM 0 H CYS A 66 -2.892 -5.629 -8.259 1.00 21.22 H new ATOM 0 HA CYS A 66 -0.980 -4.101 -6.750 1.00 12.41 H new ATOM 0 HB2 CYS A 66 -0.365 -6.196 -7.872 1.00 14.13 H new ATOM 0 HB3 CYS A 66 -0.881 -5.565 -9.423 1.00 14.13 H new ATOM 0 HG CYS A 66 1.948 -4.761 -7.688 1.00 52.00 H new ATOM 1027 N GLN A 67 -1.920 -2.953 -9.724 1.00 73.41 N ATOM 1028 CA GLN A 67 -1.896 -1.764 -10.589 1.00 15.21 C ATOM 1029 C GLN A 67 -2.834 -0.649 -10.088 1.00 43.34 C ATOM 1030 O GLN A 67 -2.517 0.537 -10.216 1.00 2.42 O ATOM 1031 CB GLN A 67 -2.240 -2.148 -12.038 1.00 31.12 C ATOM 1032 CG GLN A 67 -1.220 -3.091 -12.676 1.00 1.24 C ATOM 1033 CD GLN A 67 -1.467 -3.322 -14.160 1.00 12.52 C ATOM 1034 OE1 GLN A 67 -0.959 -2.594 -15.008 1.00 44.42 O ATOM 1035 NE2 GLN A 67 -2.229 -4.344 -14.491 1.00 21.31 N ATOM 0 H GLN A 67 -2.404 -3.756 -10.125 1.00 73.41 H new ATOM 0 HA GLN A 67 -0.882 -1.364 -10.555 1.00 15.21 H new ATOM 0 HB2 GLN A 67 -3.222 -2.621 -12.057 1.00 31.12 H new ATOM 0 HB3 GLN A 67 -2.311 -1.241 -12.639 1.00 31.12 H new ATOM 0 HG2 GLN A 67 -0.220 -2.680 -12.540 1.00 1.24 H new ATOM 0 HG3 GLN A 67 -1.245 -4.049 -12.156 1.00 1.24 H new ATOM 0 HE21 GLN A 67 -2.638 -4.932 -13.764 1.00 21.31 H new ATOM 0 HE22 GLN A 67 -2.410 -4.548 -15.474 1.00 21.31 H new ATOM 1044 N GLU A 68 -3.980 -1.022 -9.515 1.00 52.13 N ATOM 1045 CA GLU A 68 -4.924 -0.032 -8.974 1.00 14.31 C ATOM 1046 C GLU A 68 -4.339 0.679 -7.745 1.00 23.24 C ATOM 1047 O GLU A 68 -4.291 1.911 -7.692 1.00 0.10 O ATOM 1048 CB GLU A 68 -6.262 -0.690 -8.613 1.00 61.15 C ATOM 1049 CG GLU A 68 -6.998 -1.297 -9.804 1.00 52.22 C ATOM 1050 CD GLU A 68 -8.371 -1.836 -9.434 1.00 10.01 C ATOM 1051 OE1 GLU A 68 -8.450 -2.934 -8.851 1.00 73.13 O ATOM 1052 OE2 GLU A 68 -9.381 -1.155 -9.725 1.00 11.05 O ATOM 0 H GLU A 68 -4.278 -1.992 -9.412 1.00 52.13 H new ATOM 0 HA GLU A 68 -5.099 0.712 -9.751 1.00 14.31 H new ATOM 0 HB2 GLU A 68 -6.083 -1.471 -7.874 1.00 61.15 H new ATOM 0 HB3 GLU A 68 -6.905 0.054 -8.142 1.00 61.15 H new ATOM 0 HG2 GLU A 68 -7.107 -0.541 -10.582 1.00 52.22 H new ATOM 0 HG3 GLU A 68 -6.397 -2.103 -10.224 1.00 52.22 H new ATOM 1059 N PHE A 69 -3.888 -0.105 -6.760 1.00 64.52 N ATOM 1060 CA PHE A 69 -3.247 0.452 -5.563 1.00 53.31 C ATOM 1061 C PHE A 69 -1.978 1.236 -5.933 1.00 55.20 C ATOM 1062 O PHE A 69 -1.730 2.322 -5.406 1.00 42.04 O ATOM 1063 CB PHE A 69 -2.904 -0.666 -4.565 1.00 34.03 C ATOM 1064 CG PHE A 69 -2.261 -0.171 -3.290 1.00 45.01 C ATOM 1065 CD1 PHE A 69 -3.021 0.455 -2.310 1.00 61.22 C ATOM 1066 CD2 PHE A 69 -0.897 -0.333 -3.072 1.00 73.50 C ATOM 1067 CE1 PHE A 69 -2.435 0.906 -1.142 1.00 31.12 C ATOM 1068 CE2 PHE A 69 -0.308 0.118 -1.906 1.00 45.22 C ATOM 1069 CZ PHE A 69 -1.078 0.738 -0.940 1.00 63.01 C ATOM 0 H PHE A 69 -3.954 -1.123 -6.767 1.00 64.52 H new ATOM 0 HA PHE A 69 -3.952 1.139 -5.094 1.00 53.31 H new ATOM 0 HB2 PHE A 69 -3.816 -1.208 -4.314 1.00 34.03 H new ATOM 0 HB3 PHE A 69 -2.233 -1.377 -5.047 1.00 34.03 H new ATOM 0 HD1 PHE A 69 -4.082 0.591 -2.462 1.00 61.22 H new ATOM 0 HD2 PHE A 69 -0.291 -0.817 -3.823 1.00 73.50 H new ATOM 0 HE1 PHE A 69 -3.037 1.390 -0.387 1.00 31.12 H new ATOM 0 HE2 PHE A 69 0.752 -0.014 -1.750 1.00 45.22 H new ATOM 0 HZ PHE A 69 -0.620 1.091 -0.028 1.00 63.01 H new ATOM 1079 N GLY A 70 -1.181 0.675 -6.844 1.00 40.40 N ATOM 1080 CA GLY A 70 0.014 1.356 -7.331 1.00 1.11 C ATOM 1081 C GLY A 70 -0.291 2.708 -7.969 1.00 73.51 C ATOM 1082 O GLY A 70 0.441 3.681 -7.769 1.00 32.41 O ATOM 0 H GLY A 70 -1.342 -0.244 -7.256 1.00 40.40 H new ATOM 0 HA2 GLY A 70 0.707 1.499 -6.502 1.00 1.11 H new ATOM 0 HA3 GLY A 70 0.516 0.721 -8.061 1.00 1.11 H new ATOM 1086 N ARG A 71 -1.378 2.772 -8.741 1.00 41.21 N ATOM 1087 CA ARG A 71 -1.808 4.025 -9.373 1.00 43.53 C ATOM 1088 C ARG A 71 -2.212 5.061 -8.315 1.00 3.40 C ATOM 1089 O ARG A 71 -1.795 6.220 -8.370 1.00 24.23 O ATOM 1090 CB ARG A 71 -2.983 3.770 -10.326 1.00 72.13 C ATOM 1091 CG ARG A 71 -3.415 5.004 -11.114 1.00 21.14 C ATOM 1092 CD ARG A 71 -4.652 4.736 -11.965 1.00 71.44 C ATOM 1093 NE ARG A 71 -5.023 5.895 -12.775 1.00 14.11 N ATOM 1094 CZ ARG A 71 -6.246 6.190 -13.132 1.00 13.22 C ATOM 1095 NH1 ARG A 71 -7.233 5.409 -12.821 1.00 73.22 N ATOM 1096 NH2 ARG A 71 -6.469 7.255 -13.825 1.00 65.13 N ATOM 0 H ARG A 71 -1.977 1.972 -8.945 1.00 41.21 H new ATOM 0 HA ARG A 71 -0.967 4.419 -9.943 1.00 43.53 H new ATOM 0 HB2 ARG A 71 -2.707 2.982 -11.026 1.00 72.13 H new ATOM 0 HB3 ARG A 71 -3.832 3.402 -9.751 1.00 72.13 H new ATOM 0 HG2 ARG A 71 -3.621 5.821 -10.423 1.00 21.14 H new ATOM 0 HG3 ARG A 71 -2.596 5.328 -11.757 1.00 21.14 H new ATOM 0 HD2 ARG A 71 -4.465 3.883 -12.617 1.00 71.44 H new ATOM 0 HD3 ARG A 71 -5.486 4.465 -11.317 1.00 71.44 H new ATOM 0 HE ARG A 71 -4.276 6.517 -13.083 1.00 14.11 H new ATOM 0 HH11 ARG A 71 -7.060 4.554 -12.292 1.00 73.22 H new ATOM 0 HH12 ARG A 71 -8.183 5.650 -13.105 1.00 73.22 H new ATOM 0 HH21 ARG A 71 -5.694 7.862 -14.092 1.00 65.13 H new ATOM 0 HH22 ARG A 71 -7.421 7.490 -14.106 1.00 65.13 H new ATOM 1110 N TRP A 72 -3.023 4.630 -7.347 1.00 51.24 N ATOM 1111 CA TRP A 72 -3.444 5.497 -6.241 1.00 64.33 C ATOM 1112 C TRP A 72 -2.223 6.004 -5.449 1.00 32.31 C ATOM 1113 O TRP A 72 -2.140 7.189 -5.108 1.00 74.43 O ATOM 1114 CB TRP A 72 -4.413 4.742 -5.315 1.00 43.32 C ATOM 1115 CG TRP A 72 -4.974 5.589 -4.206 1.00 21.22 C ATOM 1116 CD1 TRP A 72 -6.020 6.466 -4.291 1.00 32.32 C ATOM 1117 CD2 TRP A 72 -4.526 5.633 -2.845 1.00 23.13 C ATOM 1118 NE1 TRP A 72 -6.240 7.056 -3.071 1.00 14.30 N ATOM 1119 CE2 TRP A 72 -5.338 6.559 -2.167 1.00 52.23 C ATOM 1120 CE3 TRP A 72 -3.512 4.978 -2.134 1.00 63.15 C ATOM 1121 CZ2 TRP A 72 -5.173 6.848 -0.816 1.00 42.51 C ATOM 1122 CZ3 TRP A 72 -3.348 5.264 -0.791 1.00 1.35 C ATOM 1123 CH2 TRP A 72 -4.174 6.192 -0.144 1.00 51.53 C ATOM 0 H TRP A 72 -3.403 3.684 -7.305 1.00 51.24 H new ATOM 0 HA TRP A 72 -3.960 6.362 -6.657 1.00 64.33 H new ATOM 0 HB2 TRP A 72 -5.236 4.347 -5.910 1.00 43.32 H new ATOM 0 HB3 TRP A 72 -3.895 3.887 -4.881 1.00 43.32 H new ATOM 0 HD1 TRP A 72 -6.590 6.665 -5.187 1.00 32.32 H new ATOM 0 HE1 TRP A 72 -6.958 7.752 -2.870 1.00 14.30 H new ATOM 0 HE3 TRP A 72 -2.870 4.262 -2.626 1.00 63.15 H new ATOM 0 HZ2 TRP A 72 -5.809 7.563 -0.315 1.00 42.51 H new ATOM 0 HZ3 TRP A 72 -2.571 4.764 -0.232 1.00 1.35 H new ATOM 0 HH2 TRP A 72 -4.021 6.395 0.906 1.00 51.53 H new ATOM 1134 N TYR A 73 -1.282 5.100 -5.181 1.00 74.35 N ATOM 1135 CA TYR A 73 -0.028 5.438 -4.490 1.00 71.20 C ATOM 1136 C TYR A 73 0.762 6.523 -5.243 1.00 74.41 C ATOM 1137 O TYR A 73 1.156 7.534 -4.661 1.00 53.05 O ATOM 1138 CB TYR A 73 0.828 4.168 -4.328 1.00 23.21 C ATOM 1139 CG TYR A 73 2.197 4.402 -3.708 1.00 2.24 C ATOM 1140 CD1 TYR A 73 2.343 4.576 -2.335 1.00 52.13 C ATOM 1141 CD2 TYR A 73 3.341 4.447 -4.498 1.00 73.12 C ATOM 1142 CE1 TYR A 73 3.587 4.786 -1.770 1.00 12.24 C ATOM 1143 CE2 TYR A 73 4.587 4.656 -3.940 1.00 74.31 C ATOM 1144 CZ TYR A 73 4.706 4.826 -2.576 1.00 14.52 C ATOM 1145 OH TYR A 73 5.948 5.040 -2.019 1.00 50.52 O ATOM 0 H TYR A 73 -1.362 4.115 -5.434 1.00 74.35 H new ATOM 0 HA TYR A 73 -0.277 5.840 -3.508 1.00 71.20 H new ATOM 0 HB2 TYR A 73 0.282 3.454 -3.712 1.00 23.21 H new ATOM 0 HB3 TYR A 73 0.961 3.708 -5.307 1.00 23.21 H new ATOM 0 HD1 TYR A 73 1.470 4.546 -1.700 1.00 52.13 H new ATOM 0 HD2 TYR A 73 3.253 4.316 -5.566 1.00 73.12 H new ATOM 0 HE1 TYR A 73 3.683 4.918 -0.702 1.00 12.24 H new ATOM 0 HE2 TYR A 73 5.465 4.686 -4.569 1.00 74.31 H new ATOM 0 HH TYR A 73 6.614 5.134 -2.731 1.00 50.52 H new ATOM 1155 N LYS A 74 0.991 6.306 -6.539 1.00 4.24 N ATOM 1156 CA LYS A 74 1.707 7.281 -7.372 1.00 35.51 C ATOM 1157 C LYS A 74 0.982 8.639 -7.399 1.00 0.11 C ATOM 1158 O LYS A 74 1.592 9.684 -7.164 1.00 31.54 O ATOM 1159 CB LYS A 74 1.879 6.738 -8.799 1.00 15.52 C ATOM 1160 CG LYS A 74 2.794 5.517 -8.883 1.00 50.13 C ATOM 1161 CD LYS A 74 2.903 4.979 -10.309 1.00 73.40 C ATOM 1162 CE LYS A 74 1.571 4.430 -10.815 1.00 20.23 C ATOM 1163 NZ LYS A 74 1.665 3.947 -12.217 1.00 73.11 N ATOM 0 H LYS A 74 0.693 5.467 -7.036 1.00 4.24 H new ATOM 0 HA LYS A 74 2.691 7.438 -6.931 1.00 35.51 H new ATOM 0 HB2 LYS A 74 0.900 6.476 -9.199 1.00 15.52 H new ATOM 0 HB3 LYS A 74 2.282 7.528 -9.433 1.00 15.52 H new ATOM 0 HG2 LYS A 74 3.787 5.782 -8.519 1.00 50.13 H new ATOM 0 HG3 LYS A 74 2.413 4.733 -8.228 1.00 50.13 H new ATOM 0 HD2 LYS A 74 3.243 5.775 -10.972 1.00 73.40 H new ATOM 0 HD3 LYS A 74 3.656 4.192 -10.343 1.00 73.40 H new ATOM 0 HE2 LYS A 74 1.248 3.612 -10.171 1.00 20.23 H new ATOM 0 HE3 LYS A 74 0.810 5.208 -10.750 1.00 20.23 H new ATOM 0 HZ1 LYS A 74 0.740 3.583 -12.521 1.00 73.11 H new ATOM 0 HZ2 LYS A 74 1.949 4.733 -12.837 1.00 73.11 H new ATOM 0 HZ3 LYS A 74 2.373 3.187 -12.276 1.00 73.11 H new ATOM 1177 N HIS A 75 -0.324 8.613 -7.667 1.00 14.21 N ATOM 1178 CA HIS A 75 -1.147 9.833 -7.678 1.00 54.32 C ATOM 1179 C HIS A 75 -1.050 10.582 -6.333 1.00 34.53 C ATOM 1180 O HIS A 75 -1.065 11.814 -6.290 1.00 33.25 O ATOM 1181 CB HIS A 75 -2.613 9.475 -8.021 1.00 40.44 C ATOM 1182 CG HIS A 75 -3.639 9.899 -7.000 1.00 23.24 C ATOM 1183 ND1 HIS A 75 -3.998 9.117 -5.922 1.00 51.23 N ATOM 1184 CD2 HIS A 75 -4.392 11.024 -6.905 1.00 61.34 C ATOM 1185 CE1 HIS A 75 -4.926 9.735 -5.219 1.00 13.51 C ATOM 1186 NE2 HIS A 75 -5.181 10.891 -5.790 1.00 70.33 N ATOM 0 H HIS A 75 -0.840 7.760 -7.881 1.00 14.21 H new ATOM 0 HA HIS A 75 -0.767 10.505 -8.447 1.00 54.32 H new ATOM 0 HB2 HIS A 75 -2.867 9.932 -8.977 1.00 40.44 H new ATOM 0 HB3 HIS A 75 -2.684 8.396 -8.155 1.00 40.44 H new ATOM 0 HD1 HIS A 75 -3.606 8.201 -5.703 1.00 51.23 H new ATOM 0 HD2 HIS A 75 -4.374 11.866 -7.581 1.00 61.34 H new ATOM 0 HE1 HIS A 75 -5.397 9.355 -4.325 1.00 13.51 H new ATOM 0 HE2 HIS A 75 -5.857 11.579 -5.458 1.00 70.33 H new ATOM 1195 N PHE A 76 -0.942 9.821 -5.245 1.00 21.24 N ATOM 1196 CA PHE A 76 -0.794 10.387 -3.899 1.00 34.32 C ATOM 1197 C PHE A 76 0.542 11.138 -3.741 1.00 30.41 C ATOM 1198 O PHE A 76 0.623 12.135 -3.024 1.00 63.21 O ATOM 1199 CB PHE A 76 -0.898 9.259 -2.856 1.00 55.23 C ATOM 1200 CG PHE A 76 -0.575 9.679 -1.442 1.00 4.12 C ATOM 1201 CD1 PHE A 76 -1.475 10.431 -0.701 1.00 44.20 C ATOM 1202 CD2 PHE A 76 0.632 9.320 -0.853 1.00 2.22 C ATOM 1203 CE1 PHE A 76 -1.181 10.816 0.593 1.00 53.02 C ATOM 1204 CE2 PHE A 76 0.929 9.701 0.443 1.00 64.00 C ATOM 1205 CZ PHE A 76 0.023 10.450 1.165 1.00 32.32 C ATOM 0 H PHE A 76 -0.954 8.801 -5.267 1.00 21.24 H new ATOM 0 HA PHE A 76 -1.595 11.110 -3.742 1.00 34.32 H new ATOM 0 HB2 PHE A 76 -1.909 8.853 -2.879 1.00 55.23 H new ATOM 0 HB3 PHE A 76 -0.224 8.452 -3.144 1.00 55.23 H new ATOM 0 HD1 PHE A 76 -2.418 10.719 -1.141 1.00 44.20 H new ATOM 0 HD2 PHE A 76 1.347 8.736 -1.414 1.00 2.22 H new ATOM 0 HE1 PHE A 76 -1.891 11.402 1.157 1.00 53.02 H new ATOM 0 HE2 PHE A 76 1.869 9.412 0.889 1.00 64.00 H new ATOM 0 HZ PHE A 76 0.254 10.750 2.176 1.00 32.32 H new ATOM 1215 N LYS A 77 1.587 10.651 -4.413 1.00 70.32 N ATOM 1216 CA LYS A 77 2.925 11.257 -4.320 1.00 21.25 C ATOM 1217 C LYS A 77 3.115 12.403 -5.329 1.00 42.21 C ATOM 1218 O LYS A 77 3.881 13.338 -5.081 1.00 44.23 O ATOM 1219 CB LYS A 77 4.008 10.191 -4.526 1.00 45.11 C ATOM 1220 CG LYS A 77 3.938 9.054 -3.511 1.00 21.31 C ATOM 1221 CD LYS A 77 5.095 8.074 -3.670 1.00 41.11 C ATOM 1222 CE LYS A 77 6.436 8.728 -3.367 1.00 24.23 C ATOM 1223 NZ LYS A 77 7.571 7.795 -3.587 1.00 3.02 N ATOM 0 H LYS A 77 1.537 9.839 -5.028 1.00 70.32 H new ATOM 0 HA LYS A 77 3.018 11.681 -3.320 1.00 21.25 H new ATOM 0 HB2 LYS A 77 3.915 9.778 -5.530 1.00 45.11 H new ATOM 0 HB3 LYS A 77 4.989 10.663 -4.465 1.00 45.11 H new ATOM 0 HG2 LYS A 77 3.949 9.467 -2.502 1.00 21.31 H new ATOM 0 HG3 LYS A 77 2.994 8.522 -3.627 1.00 21.31 H new ATOM 0 HD2 LYS A 77 4.946 7.225 -3.003 1.00 41.11 H new ATOM 0 HD3 LYS A 77 5.103 7.683 -4.687 1.00 41.11 H new ATOM 0 HE2 LYS A 77 6.562 9.607 -3.999 1.00 24.23 H new ATOM 0 HE3 LYS A 77 6.446 9.074 -2.333 1.00 24.23 H new ATOM 0 HZ1 LYS A 77 8.469 8.302 -3.452 1.00 3.02 H new ATOM 0 HZ2 LYS A 77 7.511 7.010 -2.908 1.00 3.02 H new ATOM 0 HZ3 LYS A 77 7.528 7.419 -4.556 1.00 3.02 H new ATOM 1237 N LYS A 78 2.432 12.320 -6.473 1.00 50.01 N ATOM 1238 CA LYS A 78 2.458 13.401 -7.467 1.00 30.55 C ATOM 1239 C LYS A 78 1.895 14.694 -6.854 1.00 12.42 C ATOM 1240 O LYS A 78 2.463 15.776 -7.022 1.00 44.41 O ATOM 1241 CB LYS A 78 1.675 12.989 -8.725 1.00 3.34 C ATOM 1242 CG LYS A 78 2.283 11.782 -9.442 1.00 42.00 C ATOM 1243 CD LYS A 78 1.437 11.315 -10.625 1.00 33.34 C ATOM 1244 CE LYS A 78 1.314 12.382 -11.708 1.00 51.34 C ATOM 1245 NZ LYS A 78 0.616 11.865 -12.916 1.00 12.22 N ATOM 0 H LYS A 78 1.856 11.520 -6.735 1.00 50.01 H new ATOM 0 HA LYS A 78 3.490 13.589 -7.764 1.00 30.55 H new ATOM 0 HB2 LYS A 78 0.647 12.758 -8.446 1.00 3.34 H new ATOM 0 HB3 LYS A 78 1.637 13.832 -9.414 1.00 3.34 H new ATOM 0 HG2 LYS A 78 3.283 12.038 -9.793 1.00 42.00 H new ATOM 0 HG3 LYS A 78 2.395 10.961 -8.733 1.00 42.00 H new ATOM 0 HD2 LYS A 78 1.880 10.416 -11.053 1.00 33.34 H new ATOM 0 HD3 LYS A 78 0.442 11.043 -10.272 1.00 33.34 H new ATOM 0 HE2 LYS A 78 0.770 13.240 -11.313 1.00 51.34 H new ATOM 0 HE3 LYS A 78 2.307 12.735 -11.985 1.00 51.34 H new ATOM 0 HZ1 LYS A 78 0.552 12.619 -13.629 1.00 12.22 H new ATOM 0 HZ2 LYS A 78 1.149 11.062 -13.308 1.00 12.22 H new ATOM 0 HZ3 LYS A 78 -0.341 11.552 -12.656 1.00 12.22 H new ATOM 1259 N THR A 79 0.779 14.553 -6.136 1.00 62.43 N ATOM 1260 CA THR A 79 0.246 15.607 -5.255 1.00 20.20 C ATOM 1261 C THR A 79 -0.050 16.942 -5.962 1.00 14.01 C ATOM 1262 O THR A 79 -1.198 17.239 -6.282 1.00 42.12 O ATOM 1263 CB THR A 79 1.207 15.881 -4.067 1.00 35.52 C ATOM 1264 OG1 THR A 79 1.399 14.690 -3.290 1.00 51.00 O ATOM 1265 CG2 THR A 79 0.682 16.988 -3.163 1.00 60.44 C ATOM 0 H THR A 79 0.214 13.704 -6.146 1.00 62.43 H new ATOM 0 HA THR A 79 -0.706 15.210 -4.903 1.00 20.20 H new ATOM 0 HB THR A 79 2.159 16.201 -4.491 1.00 35.52 H new ATOM 0 HG1 THR A 79 0.847 13.968 -3.657 1.00 51.00 H new ATOM 0 HG21 THR A 79 1.382 17.151 -2.343 1.00 60.44 H new ATOM 0 HG22 THR A 79 0.576 17.908 -3.738 1.00 60.44 H new ATOM 0 HG23 THR A 79 -0.288 16.699 -2.760 1.00 60.44 H new ATOM 1273 N LYS A 80 0.996 17.742 -6.185 1.00 41.30 N ATOM 1274 CA LYS A 80 0.845 19.145 -6.587 1.00 0.34 C ATOM 1275 C LYS A 80 -0.108 19.887 -5.626 1.00 52.31 C ATOM 1276 O LYS A 80 -1.172 20.369 -6.019 1.00 13.32 O ATOM 1277 CB LYS A 80 0.384 19.271 -8.052 1.00 11.31 C ATOM 1278 CG LYS A 80 0.273 20.720 -8.530 1.00 42.24 C ATOM 1279 CD LYS A 80 0.132 20.828 -10.046 1.00 43.13 C ATOM 1280 CE LYS A 80 1.381 20.325 -10.764 1.00 22.20 C ATOM 1281 NZ LYS A 80 1.388 20.687 -12.207 1.00 32.14 N ATOM 0 H LYS A 80 1.966 17.439 -6.093 1.00 41.30 H new ATOM 0 HA LYS A 80 1.824 19.619 -6.522 1.00 0.34 H new ATOM 0 HB2 LYS A 80 1.085 18.737 -8.693 1.00 11.31 H new ATOM 0 HB3 LYS A 80 -0.585 18.784 -8.164 1.00 11.31 H new ATOM 0 HG2 LYS A 80 -0.587 21.191 -8.054 1.00 42.24 H new ATOM 0 HG3 LYS A 80 1.156 21.273 -8.211 1.00 42.24 H new ATOM 0 HD2 LYS A 80 -0.733 20.252 -10.373 1.00 43.13 H new ATOM 0 HD3 LYS A 80 -0.054 21.866 -10.322 1.00 43.13 H new ATOM 0 HE2 LYS A 80 2.266 20.741 -10.283 1.00 22.20 H new ATOM 0 HE3 LYS A 80 1.444 19.241 -10.663 1.00 22.20 H new ATOM 0 HZ1 LYS A 80 2.255 20.324 -12.652 1.00 32.14 H new ATOM 0 HZ2 LYS A 80 0.558 20.269 -12.674 1.00 32.14 H new ATOM 0 HZ3 LYS A 80 1.355 21.722 -12.305 1.00 32.14 H new ATOM 1295 N ASP A 81 0.271 19.913 -4.344 1.00 41.44 N ATOM 1296 CA ASP A 81 -0.483 20.607 -3.280 1.00 11.44 C ATOM 1297 C ASP A 81 -1.870 19.982 -2.984 1.00 11.35 C ATOM 1298 O ASP A 81 -2.422 20.187 -1.902 1.00 25.13 O ATOM 1299 CB ASP A 81 -0.622 22.097 -3.614 1.00 54.21 C ATOM 1300 CG ASP A 81 0.733 22.749 -3.830 1.00 22.42 C ATOM 1301 OD1 ASP A 81 1.529 22.801 -2.865 1.00 74.12 O ATOM 1302 OD2 ASP A 81 1.017 23.196 -4.960 1.00 72.12 O ATOM 0 H ASP A 81 1.116 19.451 -4.007 1.00 41.44 H new ATOM 0 HA ASP A 81 0.098 20.486 -2.366 1.00 11.44 H new ATOM 0 HB2 ASP A 81 -1.230 22.214 -4.511 1.00 54.21 H new ATOM 0 HB3 ASP A 81 -1.146 22.605 -2.804 1.00 54.21 H new ATOM 1307 N MET A 82 -2.422 19.213 -3.925 1.00 11.04 N ATOM 1308 CA MET A 82 -3.753 18.614 -3.758 1.00 42.43 C ATOM 1309 C MET A 82 -3.791 17.597 -2.601 1.00 33.01 C ATOM 1310 O MET A 82 -4.706 17.616 -1.778 1.00 4.01 O ATOM 1311 CB MET A 82 -4.191 17.941 -5.066 1.00 72.11 C ATOM 1312 CG MET A 82 -5.608 17.363 -5.052 1.00 44.53 C ATOM 1313 SD MET A 82 -6.911 18.622 -5.065 1.00 33.24 S ATOM 1314 CE MET A 82 -7.033 19.075 -3.335 1.00 13.14 C ATOM 0 H MET A 82 -1.970 18.989 -4.811 1.00 11.04 H new ATOM 0 HA MET A 82 -4.446 19.417 -3.508 1.00 42.43 H new ATOM 0 HB2 MET A 82 -4.120 18.670 -5.874 1.00 72.11 H new ATOM 0 HB3 MET A 82 -3.490 17.139 -5.297 1.00 72.11 H new ATOM 0 HG2 MET A 82 -5.734 16.714 -5.918 1.00 44.53 H new ATOM 0 HG3 MET A 82 -5.727 16.739 -4.166 1.00 44.53 H new ATOM 0 HE1 MET A 82 -8.049 19.402 -3.115 1.00 13.14 H new ATOM 0 HE2 MET A 82 -6.787 18.213 -2.715 1.00 13.14 H new ATOM 0 HE3 MET A 82 -6.337 19.886 -3.121 1.00 13.14 H new ATOM 1324 N MET A 83 -2.806 16.700 -2.554 1.00 54.34 N ATOM 1325 CA MET A 83 -2.729 15.681 -1.491 1.00 35.41 C ATOM 1326 C MET A 83 -1.412 15.805 -0.692 1.00 70.14 C ATOM 1327 O MET A 83 -1.328 16.703 0.178 1.00 37.69 O ATOM 1328 CB MET A 83 -2.867 14.272 -2.099 1.00 13.40 C ATOM 1329 CG MET A 83 -4.131 14.090 -2.932 1.00 15.32 C ATOM 1330 SD MET A 83 -4.328 12.406 -3.547 1.00 22.05 S ATOM 1331 CE MET A 83 -4.639 11.513 -2.025 1.00 64.14 C ATOM 1332 OXT MET A 83 -0.468 15.020 -0.943 1.00 37.69 O ATOM 0 H MET A 83 -2.049 16.653 -3.235 1.00 54.34 H new ATOM 0 HA MET A 83 -3.553 15.847 -0.797 1.00 35.41 H new ATOM 0 HB2 MET A 83 -1.997 14.068 -2.724 1.00 13.40 H new ATOM 0 HB3 MET A 83 -2.862 13.536 -1.295 1.00 13.40 H new ATOM 0 HG2 MET A 83 -4.999 14.355 -2.329 1.00 15.32 H new ATOM 0 HG3 MET A 83 -4.107 14.779 -3.776 1.00 15.32 H new ATOM 0 HE1 MET A 83 -4.219 10.510 -2.099 1.00 64.14 H new ATOM 0 HE2 MET A 83 -4.174 12.040 -1.192 1.00 64.14 H new ATOM 0 HE3 MET A 83 -5.714 11.445 -1.856 1.00 64.14 H new TER 1342 MET A 83