USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 721 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 8 HIS : no HE2:sc= 0.806 K(o=1.7,f=-6.6!) USER MOD Set 1.2: A 70 TYR OH : rot 110:sc= 0.894 USER MOD Set 2.1: A 62 SER OG : rot 180:sc= -0.0124 USER MOD Set 2.2: A 63 ASN : amide:sc= -1.56 K(o=-1.6,f=-7.4!) USER MOD Set 3.1: A 9 SER OG : rot 79:sc= 1.28 USER MOD Set 3.2: A 10 HIS : no HD1:sc= 1.01 K(o=2.3,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0523) USER MOD Single : A 3 HIS : no HE2:sc= -0.34 K(o=-0.34,f=-1.4) 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 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 157:sc= -0.208 (180deg=-0.981) USER MOD Single : A 13 THR OG1 : rot -141:sc= 0.18 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.014) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= 0.0943! (180deg=-1.84!) USER MOD Single : A 18 ASN : amide:sc= -0.159 K(o=-0.16,f=-7.3!) USER MOD Single : A 21 MET CE :methyl 177:sc= -1.17 (180deg=-1.23) USER MOD Single : A 24 ASN : amide:sc= -0.848 K(o=-0.85,f=-3.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 0.204 (180deg=0.0156) USER MOD Single : A 32 TYR OH : rot 50:sc= -0.336 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -140:sc= 0.94 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -145:sc= -0.332 (180deg=-1.5) USER MOD Single : A 48 MET CE :methyl -173:sc= -0.446 (180deg=-0.48) USER MOD Single : A 55 GLN : amide:sc= -0.653 K(o=-0.65,f=-1.6) USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= 1.25 (180deg=0.458) USER MOD Single : A 58 GLN : amide:sc= 0.663 K(o=0.66,f=-0.52) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= -0.968 (180deg=-1.02) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0738) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0523 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.797 33.261 19.574 1.00 63.43 N ATOM 2 CA MET A 1 10.901 31.796 19.336 1.00 71.42 C ATOM 3 C MET A 1 9.650 31.262 18.631 1.00 74.54 C ATOM 4 O MET A 1 8.527 31.566 19.032 1.00 44.01 O ATOM 5 CB MET A 1 11.117 31.050 20.661 1.00 64.41 C ATOM 6 CG MET A 1 12.447 31.373 21.325 1.00 22.13 C ATOM 7 SD MET A 1 13.850 30.988 20.256 1.00 70.05 S ATOM 8 CE MET A 1 15.221 31.563 21.258 1.00 65.02 C ATOM 0 H1 MET A 1 11.696 33.615 19.959 1.00 63.43 H new ATOM 0 H2 MET A 1 10.591 33.745 18.677 1.00 63.43 H new ATOM 0 H3 MET A 1 10.032 33.449 20.253 1.00 63.43 H new ATOM 0 HA MET A 1 11.760 31.623 18.688 1.00 71.42 H new ATOM 0 HB2 MET A 1 10.307 31.299 21.346 1.00 64.41 H new ATOM 0 HB3 MET A 1 11.061 29.977 20.479 1.00 64.41 H new ATOM 0 HG2 MET A 1 12.473 32.430 21.589 1.00 22.13 H new ATOM 0 HG3 MET A 1 12.534 30.810 22.254 1.00 22.13 H new ATOM 0 HE1 MET A 1 16.157 31.391 20.727 1.00 65.02 H new ATOM 0 HE2 MET A 1 15.106 32.629 21.455 1.00 65.02 H new ATOM 0 HE3 MET A 1 15.234 31.019 22.203 1.00 65.02 H new ATOM 20 N GLY A 2 9.850 30.468 17.581 1.00 12.04 N ATOM 21 CA GLY A 2 8.725 29.924 16.827 1.00 33.01 C ATOM 22 C GLY A 2 9.048 28.602 16.136 1.00 65.21 C ATOM 23 O GLY A 2 9.677 28.582 15.077 1.00 42.32 O ATOM 0 H GLY A 2 10.769 30.190 17.237 1.00 12.04 H new ATOM 0 HA2 GLY A 2 7.881 29.778 17.501 1.00 33.01 H new ATOM 0 HA3 GLY A 2 8.412 30.651 16.078 1.00 33.01 H new ATOM 27 N HIS A 3 8.619 27.494 16.737 1.00 11.33 N ATOM 28 CA HIS A 3 8.806 26.162 16.146 1.00 20.01 C ATOM 29 C HIS A 3 7.685 25.200 16.579 1.00 31.45 C ATOM 30 O HIS A 3 7.499 24.934 17.769 1.00 22.10 O ATOM 31 CB HIS A 3 10.191 25.586 16.503 1.00 25.23 C ATOM 32 CG HIS A 3 10.514 25.592 17.972 1.00 61.12 C ATOM 33 ND1 HIS A 3 10.013 24.664 18.856 1.00 32.22 N ATOM 34 CD2 HIS A 3 11.313 26.406 18.707 1.00 2.14 C ATOM 35 CE1 HIS A 3 10.485 24.902 20.062 1.00 25.42 C ATOM 36 NE2 HIS A 3 11.278 25.952 20.003 1.00 42.10 N ATOM 0 H HIS A 3 8.137 27.488 17.636 1.00 11.33 H new ATOM 0 HA HIS A 3 8.755 26.271 15.063 1.00 20.01 H new ATOM 0 HB2 HIS A 3 10.249 24.561 16.136 1.00 25.23 H new ATOM 0 HB3 HIS A 3 10.954 26.157 15.975 1.00 25.23 H new ATOM 0 HD1 HIS A 3 9.373 23.907 18.614 1.00 32.22 H new ATOM 0 HD2 HIS A 3 11.873 27.254 18.341 1.00 2.14 H new ATOM 0 HE1 HIS A 3 10.260 24.332 20.951 1.00 25.42 H new ATOM 45 N HIS A 4 6.939 24.687 15.603 1.00 51.31 N ATOM 46 CA HIS A 4 5.777 23.829 15.863 1.00 64.03 C ATOM 47 C HIS A 4 6.142 22.334 15.786 1.00 1.44 C ATOM 48 O HIS A 4 7.313 21.972 15.649 1.00 64.31 O ATOM 49 CB HIS A 4 4.669 24.163 14.855 1.00 3.24 C ATOM 50 CG HIS A 4 4.290 25.615 14.848 1.00 40.04 C ATOM 51 ND1 HIS A 4 4.714 26.503 13.883 1.00 14.11 N ATOM 52 CD2 HIS A 4 3.522 26.336 15.699 1.00 41.52 C ATOM 53 CE1 HIS A 4 4.227 27.697 14.141 1.00 13.21 C ATOM 54 NE2 HIS A 4 3.501 27.627 15.235 1.00 33.41 N ATOM 0 H HIS A 4 7.119 24.851 14.613 1.00 51.31 H new ATOM 0 HA HIS A 4 5.425 24.022 16.877 1.00 64.03 H new ATOM 0 HB2 HIS A 4 4.998 23.876 13.856 1.00 3.24 H new ATOM 0 HB3 HIS A 4 3.787 23.566 15.084 1.00 3.24 H new ATOM 0 HD2 HIS A 4 3.019 25.964 16.579 1.00 41.52 H new ATOM 0 HE1 HIS A 4 4.395 28.587 13.552 1.00 13.21 H new ATOM 0 HE2 HIS A 4 3.004 28.405 15.668 1.00 33.41 H new ATOM 63 N HIS A 5 5.133 21.467 15.877 1.00 60.52 N ATOM 64 CA HIS A 5 5.351 20.014 15.885 1.00 54.45 C ATOM 65 C HIS A 5 4.891 19.364 14.569 1.00 33.43 C ATOM 66 O HIS A 5 3.695 19.282 14.287 1.00 73.33 O ATOM 67 CB HIS A 5 4.615 19.375 17.068 1.00 4.43 C ATOM 68 CG HIS A 5 5.074 19.883 18.400 1.00 24.42 C ATOM 69 ND1 HIS A 5 6.106 19.307 19.108 1.00 3.32 N ATOM 70 CD2 HIS A 5 4.633 20.914 19.161 1.00 5.50 C ATOM 71 CE1 HIS A 5 6.281 19.957 20.238 1.00 65.31 C ATOM 72 NE2 HIS A 5 5.402 20.936 20.298 1.00 61.45 N ATOM 0 H HIS A 5 4.154 21.743 15.946 1.00 60.52 H new ATOM 0 HA HIS A 5 6.422 19.841 15.988 1.00 54.45 H new ATOM 0 HB2 HIS A 5 3.546 19.562 16.965 1.00 4.43 H new ATOM 0 HB3 HIS A 5 4.754 18.295 17.032 1.00 4.43 H new ATOM 0 HD2 HIS A 5 3.828 21.591 18.918 1.00 5.50 H new ATOM 0 HE1 HIS A 5 7.021 19.727 20.990 1.00 65.31 H new ATOM 0 HE2 HIS A 5 5.308 21.602 21.065 1.00 61.45 H new ATOM 81 N HIS A 6 5.846 18.901 13.769 1.00 31.52 N ATOM 82 CA HIS A 6 5.540 18.248 12.491 1.00 11.34 C ATOM 83 C HIS A 6 5.984 16.775 12.496 1.00 43.11 C ATOM 84 O HIS A 6 7.172 16.476 12.624 1.00 24.23 O ATOM 85 CB HIS A 6 6.223 18.997 11.341 1.00 2.03 C ATOM 86 CG HIS A 6 5.880 18.462 9.982 1.00 31.24 C ATOM 87 ND1 HIS A 6 6.568 17.429 9.380 1.00 32.25 N ATOM 88 CD2 HIS A 6 4.912 18.822 9.106 1.00 22.21 C ATOM 89 CE1 HIS A 6 6.040 17.178 8.199 1.00 73.12 C ATOM 90 NE2 HIS A 6 5.035 18.008 8.010 1.00 23.12 N ATOM 0 H HIS A 6 6.842 18.964 13.980 1.00 31.52 H new ATOM 0 HA HIS A 6 4.460 18.275 12.349 1.00 11.34 H new ATOM 0 HB2 HIS A 6 5.943 20.049 11.388 1.00 2.03 H new ATOM 0 HB3 HIS A 6 7.303 18.948 11.479 1.00 2.03 H new ATOM 0 HD2 HIS A 6 4.180 19.604 9.245 1.00 22.21 H new ATOM 0 HE1 HIS A 6 6.374 16.421 7.505 1.00 73.12 H new ATOM 0 HE2 HIS A 6 4.443 18.040 7.180 1.00 23.12 H new ATOM 99 N HIS A 7 5.023 15.861 12.352 1.00 15.12 N ATOM 100 CA HIS A 7 5.308 14.417 12.335 1.00 53.55 C ATOM 101 C HIS A 7 4.500 13.692 11.243 1.00 4.31 C ATOM 102 O HIS A 7 3.759 14.320 10.485 1.00 34.52 O ATOM 103 CB HIS A 7 5.036 13.802 13.718 1.00 73.41 C ATOM 104 CG HIS A 7 6.039 14.223 14.751 1.00 75.03 C ATOM 105 ND1 HIS A 7 7.202 13.526 14.990 1.00 60.13 N ATOM 106 CD2 HIS A 7 6.072 15.291 15.586 1.00 24.42 C ATOM 107 CE1 HIS A 7 7.902 14.141 15.921 1.00 61.21 C ATOM 108 NE2 HIS A 7 7.242 15.216 16.300 1.00 63.22 N ATOM 0 H HIS A 7 4.035 16.092 12.245 1.00 15.12 H new ATOM 0 HA HIS A 7 6.364 14.287 12.097 1.00 53.55 H new ATOM 0 HB2 HIS A 7 4.038 14.091 14.049 1.00 73.41 H new ATOM 0 HB3 HIS A 7 5.042 12.715 13.634 1.00 73.41 H new ATOM 0 HD2 HIS A 7 5.317 16.059 15.673 1.00 24.42 H new ATOM 0 HE1 HIS A 7 8.857 13.818 16.309 1.00 61.21 H new ATOM 0 HE2 HIS A 7 7.550 15.883 17.008 1.00 63.22 H new ATOM 117 N HIS A 8 4.650 12.368 11.175 1.00 31.54 N ATOM 118 CA HIS A 8 4.061 11.562 10.090 1.00 21.53 C ATOM 119 C HIS A 8 2.612 11.133 10.386 1.00 60.42 C ATOM 120 O HIS A 8 1.956 10.525 9.537 1.00 54.22 O ATOM 121 CB HIS A 8 4.928 10.321 9.834 1.00 44.11 C ATOM 122 CG HIS A 8 6.283 10.631 9.278 1.00 53.12 C ATOM 123 ND1 HIS A 8 6.877 9.880 8.289 1.00 72.53 N ATOM 124 CD2 HIS A 8 7.170 11.609 9.579 1.00 3.13 C ATOM 125 CE1 HIS A 8 8.060 10.375 8.008 1.00 50.25 C ATOM 126 NE2 HIS A 8 8.265 11.425 8.774 1.00 42.20 N ATOM 0 H HIS A 8 5.176 11.824 11.859 1.00 31.54 H new ATOM 0 HA HIS A 8 4.034 12.193 9.201 1.00 21.53 H new ATOM 0 HB2 HIS A 8 5.046 9.774 10.769 1.00 44.11 H new ATOM 0 HB3 HIS A 8 4.405 9.661 9.142 1.00 44.11 H new ATOM 0 HD1 HIS A 8 6.461 9.063 7.842 1.00 72.53 H new ATOM 0 HD2 HIS A 8 7.040 12.388 10.315 1.00 3.13 H new ATOM 0 HE1 HIS A 8 8.749 9.986 7.272 1.00 50.25 H new ATOM 135 N SER A 9 2.124 11.427 11.588 1.00 24.44 N ATOM 136 CA SER A 9 0.736 11.103 11.961 1.00 54.21 C ATOM 137 C SER A 9 -0.265 11.947 11.159 1.00 23.34 C ATOM 138 O SER A 9 0.051 13.058 10.731 1.00 24.35 O ATOM 139 CB SER A 9 0.510 11.337 13.462 1.00 51.41 C ATOM 140 OG SER A 9 0.598 12.717 13.787 1.00 41.12 O ATOM 0 H SER A 9 2.661 11.887 12.323 1.00 24.44 H new ATOM 0 HA SER A 9 0.573 10.050 11.731 1.00 54.21 H new ATOM 0 HB2 SER A 9 -0.470 10.955 13.748 1.00 51.41 H new ATOM 0 HB3 SER A 9 1.250 10.778 14.035 1.00 51.41 H new ATOM 0 HG SER A 9 -0.236 13.166 13.536 1.00 41.12 H new ATOM 146 N HIS A 10 -1.479 11.413 10.967 1.00 54.11 N ATOM 147 CA HIS A 10 -2.549 12.121 10.236 1.00 34.10 C ATOM 148 C HIS A 10 -2.184 12.339 8.755 1.00 71.33 C ATOM 149 O HIS A 10 -2.711 13.242 8.105 1.00 42.13 O ATOM 150 CB HIS A 10 -2.854 13.476 10.902 1.00 4.45 C ATOM 151 CG HIS A 10 -3.040 13.392 12.387 1.00 42.13 C ATOM 152 ND1 HIS A 10 -2.062 13.752 13.286 1.00 32.25 N ATOM 153 CD2 HIS A 10 -4.097 12.987 13.132 1.00 11.44 C ATOM 154 CE1 HIS A 10 -2.503 13.576 14.510 1.00 71.03 C ATOM 155 NE2 HIS A 10 -3.733 13.111 14.451 1.00 71.53 N ATOM 0 H HIS A 10 -1.749 10.490 11.308 1.00 54.11 H new ATOM 0 HA HIS A 10 -3.437 11.491 10.275 1.00 34.10 H new ATOM 0 HB2 HIS A 10 -2.040 14.168 10.686 1.00 4.45 H new ATOM 0 HB3 HIS A 10 -3.756 13.895 10.455 1.00 4.45 H new ATOM 0 HD2 HIS A 10 -5.047 12.633 12.759 1.00 11.44 H new ATOM 0 HE1 HIS A 10 -1.949 13.779 15.415 1.00 71.03 H new ATOM 0 HE2 HIS A 10 -4.320 12.881 15.253 1.00 71.53 H new ATOM 164 N MET A 11 -1.290 11.502 8.230 1.00 12.41 N ATOM 165 CA MET A 11 -0.829 11.625 6.840 1.00 63.42 C ATOM 166 C MET A 11 -1.949 11.302 5.833 1.00 4.41 C ATOM 167 O MET A 11 -2.318 10.142 5.632 1.00 43.44 O ATOM 168 CB MET A 11 0.373 10.703 6.604 1.00 2.50 C ATOM 169 CG MET A 11 0.986 10.822 5.215 1.00 54.04 C ATOM 170 SD MET A 11 2.278 9.595 4.921 1.00 31.42 S ATOM 171 CE MET A 11 1.340 8.073 5.064 1.00 71.12 C ATOM 0 H MET A 11 -0.868 10.729 8.744 1.00 12.41 H new ATOM 0 HA MET A 11 -0.532 12.661 6.680 1.00 63.42 H new ATOM 0 HB2 MET A 11 1.139 10.925 7.347 1.00 2.50 H new ATOM 0 HB3 MET A 11 0.062 9.671 6.765 1.00 2.50 H new ATOM 0 HG2 MET A 11 0.203 10.707 4.465 1.00 54.04 H new ATOM 0 HG3 MET A 11 1.403 11.821 5.090 1.00 54.04 H new ATOM 0 HE1 MET A 11 1.856 7.276 4.528 1.00 71.12 H new ATOM 0 HE2 MET A 11 1.246 7.801 6.115 1.00 71.12 H new ATOM 0 HE3 MET A 11 0.348 8.215 4.636 1.00 71.12 H new ATOM 181 N LEU A 12 -2.484 12.342 5.201 1.00 3.32 N ATOM 182 CA LEU A 12 -3.566 12.189 4.226 1.00 40.33 C ATOM 183 C LEU A 12 -3.112 12.594 2.813 1.00 32.42 C ATOM 184 O LEU A 12 -2.575 13.686 2.610 1.00 14.41 O ATOM 185 CB LEU A 12 -4.768 13.037 4.655 1.00 50.32 C ATOM 186 CG LEU A 12 -5.356 12.686 6.033 1.00 23.11 C ATOM 187 CD1 LEU A 12 -6.429 13.692 6.437 1.00 34.11 C ATOM 188 CD2 LEU A 12 -5.918 11.263 6.034 1.00 74.12 C ATOM 0 H LEU A 12 -2.186 13.307 5.346 1.00 3.32 H new ATOM 0 HA LEU A 12 -3.851 11.137 4.195 1.00 40.33 H new ATOM 0 HB2 LEU A 12 -4.470 14.085 4.661 1.00 50.32 H new ATOM 0 HB3 LEU A 12 -5.552 12.933 3.905 1.00 50.32 H new ATOM 0 HG LEU A 12 -4.553 12.736 6.768 1.00 23.11 H new ATOM 0 HD11 LEU A 12 -6.830 13.423 7.414 1.00 34.11 H new ATOM 0 HD12 LEU A 12 -5.993 14.690 6.486 1.00 34.11 H new ATOM 0 HD13 LEU A 12 -7.232 13.683 5.700 1.00 34.11 H new ATOM 0 HD21 LEU A 12 -6.329 11.035 7.017 1.00 74.12 H new ATOM 0 HD22 LEU A 12 -6.705 11.182 5.284 1.00 74.12 H new ATOM 0 HD23 LEU A 12 -5.121 10.557 5.801 1.00 74.12 H new ATOM 200 N THR A 13 -3.332 11.697 1.847 1.00 61.12 N ATOM 201 CA THR A 13 -3.003 11.960 0.430 1.00 64.13 C ATOM 202 C THR A 13 -3.655 13.259 -0.073 1.00 32.23 C ATOM 203 O THR A 13 -2.997 14.103 -0.686 1.00 0.02 O ATOM 204 CB THR A 13 -3.441 10.781 -0.483 1.00 40.12 C ATOM 205 OG1 THR A 13 -3.347 11.144 -1.870 1.00 4.44 O ATOM 206 CG2 THR A 13 -4.865 10.335 -0.163 1.00 51.14 C ATOM 0 H THR A 13 -3.738 10.777 2.015 1.00 61.12 H new ATOM 0 HA THR A 13 -1.920 12.067 0.379 1.00 64.13 H new ATOM 0 HB THR A 13 -2.764 9.950 -0.288 1.00 40.12 H new ATOM 0 HG1 THR A 13 -4.103 10.760 -2.361 1.00 4.44 H new ATOM 0 HG21 THR A 13 -5.143 9.509 -0.818 1.00 51.14 H new ATOM 0 HG22 THR A 13 -4.919 10.009 0.876 1.00 51.14 H new ATOM 0 HG23 THR A 13 -5.551 11.168 -0.318 1.00 51.14 H new ATOM 214 N LYS A 14 -4.949 13.412 0.200 1.00 13.33 N ATOM 215 CA LYS A 14 -5.691 14.630 -0.150 1.00 61.24 C ATOM 216 C LYS A 14 -6.292 15.263 1.125 1.00 21.44 C ATOM 217 O LYS A 14 -5.865 14.936 2.233 1.00 22.43 O ATOM 218 CB LYS A 14 -6.797 14.300 -1.172 1.00 23.42 C ATOM 219 CG LYS A 14 -6.314 13.487 -2.377 1.00 32.44 C ATOM 220 CD LYS A 14 -5.202 14.196 -3.153 1.00 60.21 C ATOM 221 CE LYS A 14 -4.616 13.301 -4.243 1.00 72.43 C ATOM 222 NZ LYS A 14 -3.465 13.941 -4.936 1.00 4.25 N ATOM 0 H LYS A 14 -5.513 12.702 0.667 1.00 13.33 H new ATOM 0 HA LYS A 14 -5.009 15.349 -0.604 1.00 61.24 H new ATOM 0 HB2 LYS A 14 -7.589 13.746 -0.668 1.00 23.42 H new ATOM 0 HB3 LYS A 14 -7.237 15.231 -1.529 1.00 23.42 H new ATOM 0 HG2 LYS A 14 -5.953 12.517 -2.036 1.00 32.44 H new ATOM 0 HG3 LYS A 14 -7.155 13.298 -3.044 1.00 32.44 H new ATOM 0 HD2 LYS A 14 -5.596 15.107 -3.603 1.00 60.21 H new ATOM 0 HD3 LYS A 14 -4.412 14.496 -2.465 1.00 60.21 H new ATOM 0 HE2 LYS A 14 -4.294 12.358 -3.802 1.00 72.43 H new ATOM 0 HE3 LYS A 14 -5.391 13.064 -4.972 1.00 72.43 H new ATOM 0 HZ1 LYS A 14 -3.099 13.298 -5.667 1.00 4.25 H new ATOM 0 HZ2 LYS A 14 -3.777 14.829 -5.380 1.00 4.25 H new ATOM 0 HZ3 LYS A 14 -2.714 14.144 -4.246 1.00 4.25 H new ATOM 236 N HIS A 15 -7.280 16.154 0.971 1.00 41.34 N ATOM 237 CA HIS A 15 -7.889 16.851 2.124 1.00 50.45 C ATOM 238 C HIS A 15 -8.293 15.869 3.245 1.00 34.10 C ATOM 239 O HIS A 15 -7.957 16.070 4.415 1.00 51.21 O ATOM 240 CB HIS A 15 -9.118 17.662 1.690 1.00 63.44 C ATOM 241 CG HIS A 15 -8.836 18.676 0.625 1.00 21.34 C ATOM 242 ND1 HIS A 15 -8.391 19.950 0.900 1.00 42.03 N ATOM 243 CD2 HIS A 15 -8.944 18.605 -0.723 1.00 24.21 C ATOM 244 CE1 HIS A 15 -8.242 20.616 -0.227 1.00 44.42 C ATOM 245 NE2 HIS A 15 -8.569 19.825 -1.224 1.00 33.41 N ATOM 0 H HIS A 15 -7.677 16.412 0.067 1.00 41.34 H new ATOM 0 HA HIS A 15 -7.130 17.527 2.517 1.00 50.45 H new ATOM 0 HB2 HIS A 15 -9.884 16.976 1.329 1.00 63.44 H new ATOM 0 HB3 HIS A 15 -9.530 18.171 2.561 1.00 63.44 H new ATOM 0 HD2 HIS A 15 -9.265 17.748 -1.296 1.00 24.21 H new ATOM 0 HE1 HIS A 15 -7.908 21.639 -0.316 1.00 44.42 H new ATOM 0 HE2 HIS A 15 -8.547 20.078 -2.212 1.00 33.41 H new ATOM 254 N GLY A 16 -9.022 14.815 2.880 1.00 5.31 N ATOM 255 CA GLY A 16 -9.426 13.799 3.852 1.00 24.01 C ATOM 256 C GLY A 16 -9.927 12.518 3.196 1.00 44.44 C ATOM 257 O GLY A 16 -11.021 12.040 3.496 1.00 44.31 O ATOM 0 H GLY A 16 -9.343 14.643 1.927 1.00 5.31 H new ATOM 0 HA2 GLY A 16 -8.580 13.564 4.498 1.00 24.01 H new ATOM 0 HA3 GLY A 16 -10.211 14.205 4.490 1.00 24.01 H new ATOM 261 N LYS A 17 -9.115 11.959 2.301 1.00 1.11 N ATOM 262 CA LYS A 17 -9.502 10.769 1.525 1.00 43.22 C ATOM 263 C LYS A 17 -8.887 9.469 2.078 1.00 2.05 C ATOM 264 O LYS A 17 -9.457 8.394 1.897 1.00 23.20 O ATOM 265 CB LYS A 17 -9.074 10.949 0.061 1.00 14.21 C ATOM 266 CG LYS A 17 -9.697 12.169 -0.621 1.00 43.33 C ATOM 267 CD LYS A 17 -11.153 11.938 -1.027 1.00 12.13 C ATOM 268 CE LYS A 17 -11.273 11.213 -2.370 1.00 34.10 C ATOM 269 NZ LYS A 17 -10.608 9.884 -2.368 1.00 34.13 N ATOM 0 H LYS A 17 -8.180 12.308 2.090 1.00 1.11 H new ATOM 0 HA LYS A 17 -10.585 10.675 1.602 1.00 43.22 H new ATOM 0 HB2 LYS A 17 -7.988 11.036 0.018 1.00 14.21 H new ATOM 0 HB3 LYS A 17 -9.345 10.054 -0.499 1.00 14.21 H new ATOM 0 HG2 LYS A 17 -9.643 13.024 0.053 1.00 43.33 H new ATOM 0 HG3 LYS A 17 -9.113 12.423 -1.506 1.00 43.33 H new ATOM 0 HD2 LYS A 17 -11.655 11.354 -0.255 1.00 12.13 H new ATOM 0 HD3 LYS A 17 -11.668 12.897 -1.087 1.00 12.13 H new ATOM 0 HE2 LYS A 17 -12.327 11.086 -2.617 1.00 34.10 H new ATOM 0 HE3 LYS A 17 -10.835 11.832 -3.153 1.00 34.10 H new ATOM 0 HZ1 LYS A 17 -10.990 9.304 -3.142 1.00 34.13 H new ATOM 0 HZ2 LYS A 17 -9.584 10.008 -2.501 1.00 34.13 H new ATOM 0 HZ3 LYS A 17 -10.784 9.409 -1.460 1.00 34.13 H new ATOM 283 N ASN A 18 -7.733 9.581 2.754 1.00 1.31 N ATOM 284 CA ASN A 18 -6.956 8.406 3.202 1.00 42.42 C ATOM 285 C ASN A 18 -6.435 7.590 1.997 1.00 32.40 C ATOM 286 O ASN A 18 -7.219 7.077 1.201 1.00 75.05 O ATOM 287 CB ASN A 18 -7.798 7.510 4.123 1.00 4.54 C ATOM 288 CG ASN A 18 -7.062 6.250 4.544 1.00 31.44 C ATOM 289 OD1 ASN A 18 -7.089 5.240 3.849 1.00 42.11 O ATOM 290 ND2 ASN A 18 -6.408 6.296 5.686 1.00 21.11 N ATOM 0 H ASN A 18 -7.313 10.476 3.005 1.00 1.31 H new ATOM 0 HA ASN A 18 -6.098 8.774 3.765 1.00 42.42 H new ATOM 0 HB2 ASN A 18 -8.083 8.074 5.011 1.00 4.54 H new ATOM 0 HB3 ASN A 18 -8.720 7.234 3.611 1.00 4.54 H new ATOM 0 HD21 ASN A 18 -5.903 5.474 6.018 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -6.407 7.153 6.239 1.00 21.11 H new ATOM 297 N PRO A 19 -5.100 7.443 1.853 1.00 62.01 N ATOM 298 CA PRO A 19 -4.494 6.770 0.682 1.00 23.25 C ATOM 299 C PRO A 19 -5.006 5.336 0.452 1.00 63.33 C ATOM 300 O PRO A 19 -5.196 4.916 -0.690 1.00 43.12 O ATOM 301 CB PRO A 19 -2.989 6.764 1.002 1.00 53.11 C ATOM 302 CG PRO A 19 -2.893 7.043 2.466 1.00 73.24 C ATOM 303 CD PRO A 19 -4.076 7.911 2.801 1.00 41.43 C ATOM 0 HA PRO A 19 -4.750 7.291 -0.240 1.00 23.25 H new ATOM 0 HB2 PRO A 19 -2.539 5.803 0.755 1.00 53.11 H new ATOM 0 HB3 PRO A 19 -2.461 7.521 0.422 1.00 53.11 H new ATOM 0 HG2 PRO A 19 -2.912 6.118 3.042 1.00 73.24 H new ATOM 0 HG3 PRO A 19 -1.958 7.548 2.706 1.00 73.24 H new ATOM 0 HD2 PRO A 19 -4.393 7.782 3.836 1.00 41.43 H new ATOM 0 HD3 PRO A 19 -3.853 8.969 2.666 1.00 41.43 H new ATOM 311 N VAL A 20 -5.231 4.593 1.533 1.00 63.42 N ATOM 312 CA VAL A 20 -5.696 3.202 1.436 1.00 24.22 C ATOM 313 C VAL A 20 -7.091 3.128 0.793 1.00 50.24 C ATOM 314 O VAL A 20 -7.278 2.500 -0.250 1.00 4.42 O ATOM 315 CB VAL A 20 -5.736 2.523 2.828 1.00 4.30 C ATOM 316 CG1 VAL A 20 -6.211 1.073 2.720 1.00 23.13 C ATOM 317 CG2 VAL A 20 -4.368 2.595 3.504 1.00 12.01 C ATOM 0 H VAL A 20 -5.100 4.926 2.488 1.00 63.42 H new ATOM 0 HA VAL A 20 -4.984 2.671 0.805 1.00 24.22 H new ATOM 0 HB VAL A 20 -6.452 3.065 3.445 1.00 4.30 H new ATOM 0 HG11 VAL A 20 -6.229 0.621 3.712 1.00 23.13 H new ATOM 0 HG12 VAL A 20 -7.213 1.049 2.292 1.00 23.13 H new ATOM 0 HG13 VAL A 20 -5.529 0.514 2.079 1.00 23.13 H new ATOM 0 HG21 VAL A 20 -4.419 2.112 4.480 1.00 12.01 H new ATOM 0 HG22 VAL A 20 -3.629 2.086 2.885 1.00 12.01 H new ATOM 0 HG23 VAL A 20 -4.079 3.638 3.630 1.00 12.01 H new ATOM 327 N MET A 21 -8.062 3.794 1.415 1.00 73.34 N ATOM 328 CA MET A 21 -9.438 3.798 0.907 1.00 43.53 C ATOM 329 C MET A 21 -9.530 4.473 -0.472 1.00 31.45 C ATOM 330 O MET A 21 -10.360 4.095 -1.303 1.00 52.40 O ATOM 331 CB MET A 21 -10.369 4.497 1.906 1.00 15.10 C ATOM 332 CG MET A 21 -10.398 3.835 3.278 1.00 60.41 C ATOM 333 SD MET A 21 -11.641 4.553 4.376 1.00 62.12 S ATOM 334 CE MET A 21 -11.089 6.255 4.470 1.00 63.03 C ATOM 0 H MET A 21 -7.925 4.336 2.268 1.00 73.34 H new ATOM 0 HA MET A 21 -9.754 2.761 0.790 1.00 43.53 H new ATOM 0 HB2 MET A 21 -10.054 5.534 2.019 1.00 15.10 H new ATOM 0 HB3 MET A 21 -11.380 4.513 1.498 1.00 15.10 H new ATOM 0 HG2 MET A 21 -10.597 2.770 3.158 1.00 60.41 H new ATOM 0 HG3 MET A 21 -9.415 3.925 3.741 1.00 60.41 H new ATOM 0 HE1 MET A 21 -11.791 6.832 5.072 1.00 63.03 H new ATOM 0 HE2 MET A 21 -10.101 6.292 4.929 1.00 63.03 H new ATOM 0 HE3 MET A 21 -11.039 6.677 3.466 1.00 63.03 H new ATOM 344 N GLU A 22 -8.673 5.468 -0.707 1.00 53.01 N ATOM 345 CA GLU A 22 -8.620 6.163 -2.000 1.00 5.21 C ATOM 346 C GLU A 22 -8.081 5.252 -3.113 1.00 63.34 C ATOM 347 O GLU A 22 -8.623 5.217 -4.222 1.00 1.53 O ATOM 348 CB GLU A 22 -7.764 7.433 -1.887 1.00 3.05 C ATOM 349 CG GLU A 22 -7.520 8.133 -3.220 1.00 53.34 C ATOM 350 CD GLU A 22 -7.044 9.567 -3.051 1.00 60.14 C ATOM 351 OE1 GLU A 22 -7.901 10.445 -2.823 1.00 43.01 O ATOM 352 OE2 GLU A 22 -5.825 9.822 -3.164 1.00 51.41 O ATOM 0 H GLU A 22 -8.004 5.813 -0.019 1.00 53.01 H new ATOM 0 HA GLU A 22 -9.639 6.443 -2.268 1.00 5.21 H new ATOM 0 HB2 GLU A 22 -8.253 8.130 -1.206 1.00 3.05 H new ATOM 0 HB3 GLU A 22 -6.803 7.174 -1.442 1.00 3.05 H new ATOM 0 HG2 GLU A 22 -6.778 7.573 -3.789 1.00 53.34 H new ATOM 0 HG3 GLU A 22 -8.441 8.126 -3.803 1.00 53.34 H new ATOM 359 N LEU A 23 -7.016 4.510 -2.818 1.00 72.11 N ATOM 360 CA LEU A 23 -6.470 3.544 -3.776 1.00 12.21 C ATOM 361 C LEU A 23 -7.524 2.477 -4.115 1.00 45.51 C ATOM 362 O LEU A 23 -7.662 2.066 -5.270 1.00 40.23 O ATOM 363 CB LEU A 23 -5.198 2.888 -3.214 1.00 34.35 C ATOM 364 CG LEU A 23 -4.481 1.919 -4.169 1.00 22.20 C ATOM 365 CD1 LEU A 23 -4.002 2.640 -5.429 1.00 34.05 C ATOM 366 CD2 LEU A 23 -3.316 1.229 -3.463 1.00 32.35 C ATOM 0 H LEU A 23 -6.515 4.556 -1.931 1.00 72.11 H new ATOM 0 HA LEU A 23 -6.206 4.073 -4.691 1.00 12.21 H new ATOM 0 HB2 LEU A 23 -4.499 3.674 -2.929 1.00 34.35 H new ATOM 0 HB3 LEU A 23 -5.459 2.348 -2.304 1.00 34.35 H new ATOM 0 HG LEU A 23 -5.197 1.156 -4.473 1.00 22.20 H new ATOM 0 HD11 LEU A 23 -3.499 1.930 -6.085 1.00 34.05 H new ATOM 0 HD12 LEU A 23 -4.857 3.071 -5.949 1.00 34.05 H new ATOM 0 HD13 LEU A 23 -3.308 3.433 -5.152 1.00 34.05 H new ATOM 0 HD21 LEU A 23 -2.822 0.548 -4.156 1.00 32.35 H new ATOM 0 HD22 LEU A 23 -2.602 1.979 -3.121 1.00 32.35 H new ATOM 0 HD23 LEU A 23 -3.690 0.667 -2.607 1.00 32.35 H new ATOM 378 N ASN A 24 -8.281 2.061 -3.094 1.00 3.34 N ATOM 379 CA ASN A 24 -9.395 1.114 -3.266 1.00 41.31 C ATOM 380 C ASN A 24 -10.505 1.682 -4.173 1.00 31.52 C ATOM 381 O ASN A 24 -11.331 0.930 -4.702 1.00 71.13 O ATOM 382 CB ASN A 24 -9.979 0.740 -1.896 1.00 42.43 C ATOM 383 CG ASN A 24 -9.014 -0.077 -1.049 1.00 23.12 C ATOM 384 OD1 ASN A 24 -8.225 -0.859 -1.562 1.00 14.10 O ATOM 385 ND2 ASN A 24 -9.068 0.096 0.255 1.00 20.55 N ATOM 0 H ASN A 24 -8.143 2.367 -2.131 1.00 3.34 H new ATOM 0 HA ASN A 24 -8.997 0.224 -3.754 1.00 41.31 H new ATOM 0 HB2 ASN A 24 -10.246 1.650 -1.359 1.00 42.43 H new ATOM 0 HB3 ASN A 24 -10.899 0.173 -2.040 1.00 42.43 H new ATOM 0 HD21 ASN A 24 -8.442 -0.429 0.865 1.00 20.55 H new ATOM 0 HD22 ASN A 24 -9.736 0.755 0.655 1.00 20.55 H new ATOM 392 N GLU A 25 -10.542 3.010 -4.331 1.00 25.03 N ATOM 393 CA GLU A 25 -11.481 3.655 -5.264 1.00 55.41 C ATOM 394 C GLU A 25 -10.952 3.580 -6.700 1.00 13.34 C ATOM 395 O GLU A 25 -11.660 3.176 -7.624 1.00 34.02 O ATOM 396 CB GLU A 25 -11.698 5.137 -4.913 1.00 20.34 C ATOM 397 CG GLU A 25 -12.183 5.396 -3.495 1.00 64.21 C ATOM 398 CD GLU A 25 -12.401 6.877 -3.221 1.00 35.11 C ATOM 399 OE1 GLU A 25 -11.440 7.661 -3.366 1.00 11.33 O ATOM 400 OE2 GLU A 25 -13.537 7.268 -2.872 1.00 12.04 O ATOM 0 H GLU A 25 -9.937 3.659 -3.829 1.00 25.03 H new ATOM 0 HA GLU A 25 -12.427 3.120 -5.179 1.00 55.41 H new ATOM 0 HB2 GLU A 25 -10.760 5.672 -5.064 1.00 20.34 H new ATOM 0 HB3 GLU A 25 -12.421 5.558 -5.611 1.00 20.34 H new ATOM 0 HG2 GLU A 25 -13.115 4.857 -3.328 1.00 64.21 H new ATOM 0 HG3 GLU A 25 -11.455 5.001 -2.786 1.00 64.21 H new ATOM 407 N LYS A 26 -9.698 3.984 -6.867 1.00 40.15 N ATOM 408 CA LYS A 26 -9.073 4.078 -8.185 1.00 22.51 C ATOM 409 C LYS A 26 -8.856 2.695 -8.819 1.00 24.13 C ATOM 410 O LYS A 26 -9.096 2.505 -10.009 1.00 51.45 O ATOM 411 CB LYS A 26 -7.738 4.828 -8.069 1.00 34.12 C ATOM 412 CG LYS A 26 -7.863 6.222 -7.452 1.00 42.31 C ATOM 413 CD LYS A 26 -8.765 7.139 -8.280 1.00 62.10 C ATOM 414 CE LYS A 26 -8.177 7.424 -9.657 1.00 15.13 C ATOM 415 NZ LYS A 26 -9.106 8.219 -10.505 1.00 41.30 N ATOM 0 H LYS A 26 -9.086 4.255 -6.097 1.00 40.15 H new ATOM 0 HA LYS A 26 -9.748 4.629 -8.839 1.00 22.51 H new ATOM 0 HB2 LYS A 26 -7.050 4.235 -7.466 1.00 34.12 H new ATOM 0 HB3 LYS A 26 -7.296 4.919 -9.061 1.00 34.12 H new ATOM 0 HG2 LYS A 26 -8.263 6.136 -6.442 1.00 42.31 H new ATOM 0 HG3 LYS A 26 -6.873 6.670 -7.366 1.00 42.31 H new ATOM 0 HD2 LYS A 26 -9.746 6.677 -8.393 1.00 62.10 H new ATOM 0 HD3 LYS A 26 -8.914 8.078 -7.748 1.00 62.10 H new ATOM 0 HE2 LYS A 26 -7.236 7.963 -9.545 1.00 15.13 H new ATOM 0 HE3 LYS A 26 -7.947 6.482 -10.155 1.00 15.13 H new ATOM 0 HZ1 LYS A 26 -8.668 8.391 -11.433 1.00 41.30 H new ATOM 0 HZ2 LYS A 26 -9.994 7.694 -10.633 1.00 41.30 H new ATOM 0 HZ3 LYS A 26 -9.306 9.129 -10.042 1.00 41.30 H new ATOM 429 N ARG A 27 -8.387 1.738 -8.022 1.00 53.14 N ATOM 430 CA ARG A 27 -8.210 0.353 -8.483 1.00 35.45 C ATOM 431 C ARG A 27 -8.998 -0.624 -7.596 1.00 42.32 C ATOM 432 O ARG A 27 -8.874 -0.606 -6.374 1.00 40.40 O ATOM 433 CB ARG A 27 -6.722 -0.035 -8.493 1.00 43.23 C ATOM 434 CG ARG A 27 -5.885 0.663 -9.567 1.00 70.15 C ATOM 435 CD ARG A 27 -6.420 0.409 -10.979 1.00 65.11 C ATOM 436 NE ARG A 27 -5.342 0.241 -11.954 1.00 30.33 N ATOM 437 CZ ARG A 27 -5.222 0.919 -13.066 1.00 0.13 C ATOM 438 NH1 ARG A 27 -6.033 1.888 -13.354 1.00 42.45 N ATOM 439 NH2 ARG A 27 -4.280 0.620 -13.896 1.00 65.03 N ATOM 0 H ARG A 27 -8.120 1.892 -7.050 1.00 53.14 H new ATOM 0 HA ARG A 27 -8.595 0.291 -9.501 1.00 35.45 H new ATOM 0 HB2 ARG A 27 -6.295 0.191 -7.516 1.00 43.23 H new ATOM 0 HB3 ARG A 27 -6.643 -1.113 -8.634 1.00 43.23 H new ATOM 0 HG2 ARG A 27 -5.872 1.736 -9.374 1.00 70.15 H new ATOM 0 HG3 ARG A 27 -4.854 0.315 -9.504 1.00 70.15 H new ATOM 0 HD2 ARG A 27 -7.046 -0.483 -10.974 1.00 65.11 H new ATOM 0 HD3 ARG A 27 -7.055 1.242 -11.281 1.00 65.11 H new ATOM 0 HE ARG A 27 -4.629 -0.459 -11.751 1.00 30.33 H new ATOM 0 HH11 ARG A 27 -6.783 2.135 -12.708 1.00 42.45 H new ATOM 0 HH12 ARG A 27 -5.922 2.404 -14.227 1.00 42.45 H new ATOM 0 HH21 ARG A 27 -3.635 -0.141 -13.683 1.00 65.03 H new ATOM 0 HH22 ARG A 27 -4.181 1.145 -14.765 1.00 65.03 H new ATOM 453 N ARG A 28 -9.805 -1.480 -8.216 1.00 33.00 N ATOM 454 CA ARG A 28 -10.633 -2.439 -7.475 1.00 72.52 C ATOM 455 C ARG A 28 -9.938 -3.808 -7.340 1.00 34.20 C ATOM 456 O ARG A 28 -9.166 -4.215 -8.211 1.00 41.15 O ATOM 457 CB ARG A 28 -11.992 -2.611 -8.171 1.00 30.43 C ATOM 458 CG ARG A 28 -12.747 -1.304 -8.416 1.00 24.34 C ATOM 459 CD ARG A 28 -13.007 -0.528 -7.126 1.00 71.12 C ATOM 460 NE ARG A 28 -13.936 0.582 -7.336 1.00 65.04 N ATOM 461 CZ ARG A 28 -14.355 1.383 -6.391 1.00 40.23 C ATOM 462 NH1 ARG A 28 -13.844 1.331 -5.201 1.00 43.53 N ATOM 463 NH2 ARG A 28 -15.257 2.268 -6.661 1.00 51.11 N ATOM 0 H ARG A 28 -9.906 -1.533 -9.230 1.00 33.00 H new ATOM 0 HA ARG A 28 -10.783 -2.039 -6.472 1.00 72.52 H new ATOM 0 HB2 ARG A 28 -11.836 -3.111 -9.127 1.00 30.43 H new ATOM 0 HB3 ARG A 28 -12.616 -3.269 -7.566 1.00 30.43 H new ATOM 0 HG2 ARG A 28 -12.174 -0.680 -9.102 1.00 24.34 H new ATOM 0 HG3 ARG A 28 -13.698 -1.523 -8.902 1.00 24.34 H new ATOM 0 HD2 ARG A 28 -13.412 -1.203 -6.372 1.00 71.12 H new ATOM 0 HD3 ARG A 28 -12.064 -0.144 -6.737 1.00 71.12 H new ATOM 0 HE ARG A 28 -14.280 0.742 -8.283 1.00 65.04 H new ATOM 0 HH11 ARG A 28 -13.105 0.659 -4.992 1.00 43.53 H new ATOM 0 HH12 ARG A 28 -14.180 1.962 -4.473 1.00 43.53 H new ATOM 0 HH21 ARG A 28 -15.637 2.338 -7.605 1.00 51.11 H new ATOM 0 HH22 ARG A 28 -15.590 2.897 -5.930 1.00 51.11 H new ATOM 477 N GLY A 29 -10.223 -4.510 -6.242 1.00 63.23 N ATOM 478 CA GLY A 29 -9.654 -5.837 -6.015 1.00 30.30 C ATOM 479 C GLY A 29 -8.159 -5.810 -5.705 1.00 11.42 C ATOM 480 O GLY A 29 -7.350 -6.363 -6.454 1.00 20.32 O ATOM 0 H GLY A 29 -10.842 -4.183 -5.500 1.00 63.23 H new ATOM 0 HA2 GLY A 29 -10.181 -6.314 -5.188 1.00 30.30 H new ATOM 0 HA3 GLY A 29 -9.823 -6.453 -6.898 1.00 30.30 H new ATOM 484 N LEU A 30 -7.791 -5.173 -4.597 1.00 71.51 N ATOM 485 CA LEU A 30 -6.383 -5.046 -4.197 1.00 54.20 C ATOM 486 C LEU A 30 -6.034 -6.022 -3.063 1.00 14.01 C ATOM 487 O LEU A 30 -6.922 -6.596 -2.431 1.00 64.41 O ATOM 488 CB LEU A 30 -6.106 -3.604 -3.757 1.00 42.44 C ATOM 489 CG LEU A 30 -6.511 -2.527 -4.777 1.00 64.51 C ATOM 490 CD1 LEU A 30 -6.195 -1.135 -4.246 1.00 14.32 C ATOM 491 CD2 LEU A 30 -5.822 -2.765 -6.118 1.00 31.42 C ATOM 0 H LEU A 30 -8.449 -4.733 -3.953 1.00 71.51 H new ATOM 0 HA LEU A 30 -5.757 -5.295 -5.054 1.00 54.20 H new ATOM 0 HB2 LEU A 30 -6.635 -3.416 -2.823 1.00 42.44 H new ATOM 0 HB3 LEU A 30 -5.041 -3.502 -3.546 1.00 42.44 H new ATOM 0 HG LEU A 30 -7.588 -2.594 -4.933 1.00 64.51 H new ATOM 0 HD11 LEU A 30 -6.490 -0.389 -4.984 1.00 14.32 H new ATOM 0 HD12 LEU A 30 -6.744 -0.966 -3.319 1.00 14.32 H new ATOM 0 HD13 LEU A 30 -5.125 -1.053 -4.054 1.00 14.32 H new ATOM 0 HD21 LEU A 30 -6.123 -1.991 -6.824 1.00 31.42 H new ATOM 0 HD22 LEU A 30 -4.741 -2.732 -5.983 1.00 31.42 H new ATOM 0 HD23 LEU A 30 -6.109 -3.742 -6.506 1.00 31.42 H new ATOM 503 N LYS A 31 -4.741 -6.213 -2.803 1.00 43.25 N ATOM 504 CA LYS A 31 -4.302 -7.138 -1.747 1.00 4.13 C ATOM 505 C LYS A 31 -3.203 -6.529 -0.863 1.00 12.14 C ATOM 506 O LYS A 31 -2.037 -6.473 -1.254 1.00 11.13 O ATOM 507 CB LYS A 31 -3.815 -8.458 -2.372 1.00 74.20 C ATOM 508 CG LYS A 31 -3.275 -9.470 -1.360 1.00 71.03 C ATOM 509 CD LYS A 31 -3.156 -10.869 -1.965 1.00 63.23 C ATOM 510 CE LYS A 31 -2.183 -10.920 -3.141 1.00 73.44 C ATOM 511 NZ LYS A 31 -0.765 -10.851 -2.703 1.00 71.33 N ATOM 0 H LYS A 31 -3.982 -5.747 -3.301 1.00 43.25 H new ATOM 0 HA LYS A 31 -5.161 -7.335 -1.105 1.00 4.13 H new ATOM 0 HB2 LYS A 31 -4.640 -8.914 -2.920 1.00 74.20 H new ATOM 0 HB3 LYS A 31 -3.034 -8.236 -3.099 1.00 74.20 H new ATOM 0 HG2 LYS A 31 -2.298 -9.143 -1.005 1.00 71.03 H new ATOM 0 HG3 LYS A 31 -3.934 -9.504 -0.493 1.00 71.03 H new ATOM 0 HD2 LYS A 31 -2.826 -11.567 -1.195 1.00 63.23 H new ATOM 0 HD3 LYS A 31 -4.139 -11.202 -2.297 1.00 63.23 H new ATOM 0 HE2 LYS A 31 -2.343 -11.840 -3.702 1.00 73.44 H new ATOM 0 HE3 LYS A 31 -2.392 -10.093 -3.819 1.00 73.44 H new ATOM 0 HZ1 LYS A 31 -0.169 -10.551 -3.501 1.00 71.33 H new ATOM 0 HZ2 LYS A 31 -0.674 -10.165 -1.927 1.00 71.33 H new ATOM 0 HZ3 LYS A 31 -0.457 -11.788 -2.374 1.00 71.33 H new ATOM 525 N TYR A 32 -3.594 -6.058 0.324 1.00 71.53 N ATOM 526 CA TYR A 32 -2.641 -5.567 1.330 1.00 73.43 C ATOM 527 C TYR A 32 -2.131 -6.719 2.208 1.00 42.32 C ATOM 528 O TYR A 32 -2.905 -7.347 2.930 1.00 32.01 O ATOM 529 CB TYR A 32 -3.299 -4.501 2.224 1.00 10.45 C ATOM 530 CG TYR A 32 -3.606 -3.190 1.518 1.00 74.23 C ATOM 531 CD1 TYR A 32 -4.792 -3.011 0.813 1.00 60.35 C ATOM 532 CD2 TYR A 32 -2.712 -2.125 1.575 1.00 52.22 C ATOM 533 CE1 TYR A 32 -5.073 -1.815 0.182 1.00 33.32 C ATOM 534 CE2 TYR A 32 -2.987 -0.925 0.949 1.00 50.03 C ATOM 535 CZ TYR A 32 -4.170 -0.775 0.255 1.00 74.23 C ATOM 536 OH TYR A 32 -4.448 0.420 -0.365 1.00 65.24 O ATOM 0 H TYR A 32 -4.570 -6.005 0.616 1.00 71.53 H new ATOM 0 HA TYR A 32 -1.798 -5.123 0.799 1.00 73.43 H new ATOM 0 HB2 TYR A 32 -4.226 -4.907 2.630 1.00 10.45 H new ATOM 0 HB3 TYR A 32 -2.642 -4.299 3.070 1.00 10.45 H new ATOM 0 HD1 TYR A 32 -5.505 -3.821 0.758 1.00 60.35 H new ATOM 0 HD2 TYR A 32 -1.786 -2.239 2.119 1.00 52.22 H new ATOM 0 HE1 TYR A 32 -5.996 -1.695 -0.366 1.00 33.32 H new ATOM 0 HE2 TYR A 32 -2.281 -0.110 1.002 1.00 50.03 H new ATOM 0 HH TYR A 32 -5.348 0.717 -0.115 1.00 65.24 H new ATOM 546 N GLU A 33 -0.833 -6.999 2.145 1.00 54.25 N ATOM 547 CA GLU A 33 -0.231 -8.068 2.952 1.00 65.10 C ATOM 548 C GLU A 33 0.970 -7.554 3.766 1.00 54.13 C ATOM 549 O GLU A 33 1.508 -6.480 3.496 1.00 51.11 O ATOM 550 CB GLU A 33 0.193 -9.237 2.046 1.00 70.30 C ATOM 551 CG GLU A 33 1.277 -8.874 1.038 1.00 24.32 C ATOM 552 CD GLU A 33 1.454 -9.932 -0.042 1.00 43.24 C ATOM 553 OE1 GLU A 33 2.078 -10.981 0.234 1.00 12.04 O ATOM 554 OE2 GLU A 33 0.962 -9.727 -1.173 1.00 63.25 O ATOM 0 H GLU A 33 -0.173 -6.504 1.545 1.00 54.25 H new ATOM 0 HA GLU A 33 -0.981 -8.419 3.660 1.00 65.10 H new ATOM 0 HB2 GLU A 33 0.550 -10.056 2.670 1.00 70.30 H new ATOM 0 HB3 GLU A 33 -0.682 -9.603 1.508 1.00 70.30 H new ATOM 0 HG2 GLU A 33 1.028 -7.922 0.570 1.00 24.32 H new ATOM 0 HG3 GLU A 33 2.222 -8.734 1.562 1.00 24.32 H new ATOM 561 N LEU A 34 1.385 -8.329 4.763 1.00 1.44 N ATOM 562 CA LEU A 34 2.487 -7.933 5.653 1.00 64.33 C ATOM 563 C LEU A 34 3.834 -8.490 5.160 1.00 24.43 C ATOM 564 O LEU A 34 3.985 -9.701 4.972 1.00 44.14 O ATOM 565 CB LEU A 34 2.208 -8.431 7.082 1.00 45.35 C ATOM 566 CG LEU A 34 3.292 -8.105 8.128 1.00 2.44 C ATOM 567 CD1 LEU A 34 3.385 -6.599 8.382 1.00 15.50 C ATOM 568 CD2 LEU A 34 3.016 -8.858 9.427 1.00 64.44 C ATOM 0 H LEU A 34 0.978 -9.238 4.981 1.00 1.44 H new ATOM 0 HA LEU A 34 2.550 -6.845 5.649 1.00 64.33 H new ATOM 0 HB2 LEU A 34 1.264 -8.002 7.418 1.00 45.35 H new ATOM 0 HB3 LEU A 34 2.074 -9.512 7.050 1.00 45.35 H new ATOM 0 HG LEU A 34 4.254 -8.432 7.733 1.00 2.44 H new ATOM 0 HD11 LEU A 34 4.158 -6.402 9.124 1.00 15.50 H new ATOM 0 HD12 LEU A 34 3.636 -6.088 7.452 1.00 15.50 H new ATOM 0 HD13 LEU A 34 2.427 -6.232 8.750 1.00 15.50 H new ATOM 0 HD21 LEU A 34 3.789 -8.619 10.157 1.00 64.44 H new ATOM 0 HD22 LEU A 34 2.043 -8.563 9.819 1.00 64.44 H new ATOM 0 HD23 LEU A 34 3.019 -9.931 9.233 1.00 64.44 H new ATOM 580 N ILE A 35 4.810 -7.603 4.954 1.00 24.22 N ATOM 581 CA ILE A 35 6.159 -8.009 4.540 1.00 42.32 C ATOM 582 C ILE A 35 7.079 -8.196 5.757 1.00 35.01 C ATOM 583 O ILE A 35 7.862 -9.145 5.816 1.00 61.50 O ATOM 584 CB ILE A 35 6.793 -6.972 3.574 1.00 32.12 C ATOM 585 CG1 ILE A 35 5.911 -6.789 2.330 1.00 42.34 C ATOM 586 CG2 ILE A 35 8.210 -7.388 3.174 1.00 24.24 C ATOM 587 CD1 ILE A 35 5.692 -8.065 1.538 1.00 65.22 C ATOM 0 H ILE A 35 4.693 -6.596 5.067 1.00 24.22 H new ATOM 0 HA ILE A 35 6.057 -8.960 4.018 1.00 42.32 H new ATOM 0 HB ILE A 35 6.859 -6.018 4.096 1.00 32.12 H new ATOM 0 HG12 ILE A 35 4.943 -6.394 2.638 1.00 42.34 H new ATOM 0 HG13 ILE A 35 6.368 -6.043 1.679 1.00 42.34 H new ATOM 0 HG21 ILE A 35 8.630 -6.644 2.497 1.00 24.24 H new ATOM 0 HG22 ILE A 35 8.833 -7.461 4.065 1.00 24.24 H new ATOM 0 HG23 ILE A 35 8.178 -8.356 2.674 1.00 24.24 H new ATOM 0 HD11 ILE A 35 5.060 -7.854 0.676 1.00 65.22 H new ATOM 0 HD12 ILE A 35 6.653 -8.451 1.198 1.00 65.22 H new ATOM 0 HD13 ILE A 35 5.206 -8.807 2.171 1.00 65.22 H new ATOM 599 N SER A 36 6.971 -7.289 6.728 1.00 53.33 N ATOM 600 CA SER A 36 7.801 -7.346 7.943 1.00 34.31 C ATOM 601 C SER A 36 7.267 -6.398 9.024 1.00 42.42 C ATOM 602 O SER A 36 6.650 -5.383 8.715 1.00 71.30 O ATOM 603 CB SER A 36 9.253 -6.962 7.617 1.00 5.30 C ATOM 604 OG SER A 36 10.093 -7.078 8.758 1.00 22.40 O ATOM 0 H SER A 36 6.319 -6.505 6.702 1.00 53.33 H new ATOM 0 HA SER A 36 7.764 -8.369 8.318 1.00 34.31 H new ATOM 0 HB2 SER A 36 9.630 -7.603 6.820 1.00 5.30 H new ATOM 0 HB3 SER A 36 9.284 -5.938 7.244 1.00 5.30 H new ATOM 0 HG SER A 36 11.009 -6.828 8.516 1.00 22.40 H new ATOM 610 N GLU A 37 7.499 -6.738 10.288 1.00 54.03 N ATOM 611 CA GLU A 37 7.192 -5.830 11.401 1.00 63.04 C ATOM 612 C GLU A 37 8.117 -6.099 12.595 1.00 24.20 C ATOM 613 O GLU A 37 8.242 -7.231 13.064 1.00 31.12 O ATOM 614 CB GLU A 37 5.719 -5.933 11.830 1.00 61.12 C ATOM 615 CG GLU A 37 5.296 -7.299 12.361 1.00 72.32 C ATOM 616 CD GLU A 37 3.912 -7.269 12.991 1.00 43.11 C ATOM 617 OE1 GLU A 37 2.908 -7.290 12.248 1.00 60.31 O ATOM 618 OE2 GLU A 37 3.817 -7.217 14.237 1.00 13.25 O ATOM 0 H GLU A 37 7.898 -7.633 10.572 1.00 54.03 H new ATOM 0 HA GLU A 37 7.364 -4.814 11.047 1.00 63.04 H new ATOM 0 HB2 GLU A 37 5.527 -5.185 12.600 1.00 61.12 H new ATOM 0 HB3 GLU A 37 5.089 -5.681 10.977 1.00 61.12 H new ATOM 0 HG2 GLU A 37 5.306 -8.023 11.546 1.00 72.32 H new ATOM 0 HG3 GLU A 37 6.022 -7.640 13.099 1.00 72.32 H new ATOM 625 N THR A 38 8.786 -5.056 13.077 1.00 0.43 N ATOM 626 CA THR A 38 9.738 -5.205 14.184 1.00 22.42 C ATOM 627 C THR A 38 9.792 -3.957 15.072 1.00 33.21 C ATOM 628 O THR A 38 9.933 -2.834 14.583 1.00 2.00 O ATOM 629 CB THR A 38 11.170 -5.494 13.659 1.00 11.55 C ATOM 630 OG1 THR A 38 11.168 -6.638 12.784 1.00 71.52 O ATOM 631 CG2 THR A 38 12.146 -5.740 14.809 1.00 25.44 C ATOM 0 H THR A 38 8.691 -4.103 12.725 1.00 0.43 H new ATOM 0 HA THR A 38 9.381 -6.047 14.776 1.00 22.42 H new ATOM 0 HB THR A 38 11.497 -4.613 13.106 1.00 11.55 H new ATOM 0 HG1 THR A 38 11.965 -7.182 12.955 1.00 71.52 H new ATOM 0 HG21 THR A 38 13.139 -5.939 14.407 1.00 25.44 H new ATOM 0 HG22 THR A 38 12.184 -4.859 15.449 1.00 25.44 H new ATOM 0 HG23 THR A 38 11.812 -6.598 15.392 1.00 25.44 H new ATOM 639 N GLY A 39 9.671 -4.168 16.378 1.00 61.12 N ATOM 640 CA GLY A 39 9.897 -3.105 17.351 1.00 52.00 C ATOM 641 C GLY A 39 11.147 -3.378 18.178 1.00 15.55 C ATOM 642 O GLY A 39 11.061 -3.936 19.274 1.00 74.20 O ATOM 0 H GLY A 39 9.417 -5.067 16.788 1.00 61.12 H new ATOM 0 HA2 GLY A 39 10.000 -2.150 16.835 1.00 52.00 H new ATOM 0 HA3 GLY A 39 9.032 -3.020 18.009 1.00 52.00 H new ATOM 646 N GLY A 40 12.306 -2.983 17.648 1.00 41.53 N ATOM 647 CA GLY A 40 13.586 -3.362 18.243 1.00 51.14 C ATOM 648 C GLY A 40 13.855 -2.742 19.613 1.00 72.40 C ATOM 649 O GLY A 40 13.308 -3.182 20.625 1.00 63.12 O ATOM 0 H GLY A 40 12.383 -2.404 16.812 1.00 41.53 H new ATOM 0 HA2 GLY A 40 13.622 -4.447 18.336 1.00 51.14 H new ATOM 0 HA3 GLY A 40 14.388 -3.073 17.564 1.00 51.14 H new ATOM 653 N SER A 41 14.697 -1.714 19.651 1.00 55.11 N ATOM 654 CA SER A 41 15.103 -1.085 20.923 1.00 35.02 C ATOM 655 C SER A 41 14.052 -0.082 21.424 1.00 72.23 C ATOM 656 O SER A 41 14.027 0.268 22.607 1.00 22.14 O ATOM 657 CB SER A 41 16.454 -0.374 20.754 1.00 13.14 C ATOM 658 OG SER A 41 17.461 -1.281 20.329 1.00 72.45 O ATOM 0 H SER A 41 15.116 -1.293 18.822 1.00 55.11 H new ATOM 0 HA SER A 41 15.194 -1.878 21.666 1.00 35.02 H new ATOM 0 HB2 SER A 41 16.356 0.432 20.026 1.00 13.14 H new ATOM 0 HB3 SER A 41 16.748 0.084 21.699 1.00 13.14 H new ATOM 0 HG SER A 41 18.310 -0.803 20.227 1.00 72.45 H new ATOM 664 N HIS A 42 13.189 0.358 20.511 1.00 13.31 N ATOM 665 CA HIS A 42 12.171 1.389 20.788 1.00 65.42 C ATOM 666 C HIS A 42 11.456 1.771 19.482 1.00 43.23 C ATOM 667 O HIS A 42 10.292 2.177 19.479 1.00 13.15 O ATOM 668 CB HIS A 42 12.824 2.634 21.418 1.00 4.43 C ATOM 669 CG HIS A 42 11.878 3.767 21.685 1.00 33.12 C ATOM 670 ND1 HIS A 42 10.961 3.756 22.716 1.00 44.33 N ATOM 671 CD2 HIS A 42 11.720 4.960 21.061 1.00 63.04 C ATOM 672 CE1 HIS A 42 10.283 4.886 22.713 1.00 73.41 C ATOM 673 NE2 HIS A 42 10.724 5.632 21.724 1.00 42.54 N ATOM 0 H HIS A 42 13.170 0.013 19.551 1.00 13.31 H new ATOM 0 HA HIS A 42 11.443 0.988 21.493 1.00 65.42 H new ATOM 0 HB2 HIS A 42 13.298 2.344 22.356 1.00 4.43 H new ATOM 0 HB3 HIS A 42 13.616 2.987 20.757 1.00 4.43 H new ATOM 0 HD2 HIS A 42 12.273 5.315 20.204 1.00 63.04 H new ATOM 0 HE1 HIS A 42 9.498 5.154 23.405 1.00 73.41 H new ATOM 0 HE2 HIS A 42 10.380 6.563 21.487 1.00 42.54 H new ATOM 682 N ASP A 43 12.187 1.621 18.383 1.00 24.21 N ATOM 683 CA ASP A 43 11.703 1.897 17.025 1.00 54.51 C ATOM 684 C ASP A 43 10.443 1.091 16.648 1.00 32.14 C ATOM 685 O ASP A 43 10.007 0.194 17.381 1.00 40.53 O ATOM 686 CB ASP A 43 12.838 1.583 16.047 1.00 22.15 C ATOM 687 CG ASP A 43 13.460 0.224 16.333 1.00 12.23 C ATOM 688 OD1 ASP A 43 14.387 0.160 17.178 1.00 72.41 O ATOM 689 OD2 ASP A 43 13.017 -0.781 15.743 1.00 21.31 O ATOM 0 H ASP A 43 13.154 1.297 18.406 1.00 24.21 H new ATOM 0 HA ASP A 43 11.412 2.946 16.977 1.00 54.51 H new ATOM 0 HB2 ASP A 43 12.456 1.602 15.026 1.00 22.15 H new ATOM 0 HB3 ASP A 43 13.603 2.356 16.115 1.00 22.15 H new ATOM 694 N LYS A 44 9.862 1.438 15.494 1.00 4.15 N ATOM 695 CA LYS A 44 8.691 0.739 14.942 1.00 3.21 C ATOM 696 C LYS A 44 8.813 0.591 13.415 1.00 75.15 C ATOM 697 O LYS A 44 8.573 1.540 12.662 1.00 74.23 O ATOM 698 CB LYS A 44 7.392 1.491 15.286 1.00 64.35 C ATOM 699 CG LYS A 44 7.084 1.548 16.772 1.00 14.22 C ATOM 700 CD LYS A 44 6.889 0.157 17.359 1.00 34.20 C ATOM 701 CE LYS A 44 6.864 0.194 18.878 1.00 73.25 C ATOM 702 NZ LYS A 44 8.109 0.796 19.434 1.00 2.35 N ATOM 0 H LYS A 44 10.189 2.211 14.915 1.00 4.15 H new ATOM 0 HA LYS A 44 8.655 -0.253 15.392 1.00 3.21 H new ATOM 0 HB2 LYS A 44 7.461 2.508 14.901 1.00 64.35 H new ATOM 0 HB3 LYS A 44 6.560 1.011 14.771 1.00 64.35 H new ATOM 0 HG2 LYS A 44 7.897 2.053 17.293 1.00 14.22 H new ATOM 0 HG3 LYS A 44 6.184 2.141 16.935 1.00 14.22 H new ATOM 0 HD2 LYS A 44 5.956 -0.268 16.989 1.00 34.20 H new ATOM 0 HD3 LYS A 44 7.693 -0.497 17.023 1.00 34.20 H new ATOM 0 HE2 LYS A 44 6.000 0.768 19.214 1.00 73.25 H new ATOM 0 HE3 LYS A 44 6.744 -0.818 19.265 1.00 73.25 H new ATOM 0 HZ1 LYS A 44 8.357 0.320 20.325 1.00 2.35 H new ATOM 0 HZ2 LYS A 44 8.885 0.681 18.751 1.00 2.35 H new ATOM 0 HZ3 LYS A 44 7.954 1.808 19.615 1.00 2.35 H new ATOM 716 N ARG A 45 9.202 -0.599 12.969 1.00 51.41 N ATOM 717 CA ARG A 45 9.388 -0.874 11.540 1.00 53.34 C ATOM 718 C ARG A 45 8.290 -1.801 10.997 1.00 41.21 C ATOM 719 O ARG A 45 8.387 -3.021 11.122 1.00 32.43 O ATOM 720 CB ARG A 45 10.765 -1.517 11.303 1.00 52.25 C ATOM 721 CG ARG A 45 11.049 -1.849 9.839 1.00 30.32 C ATOM 722 CD ARG A 45 12.343 -2.641 9.676 1.00 2.21 C ATOM 723 NE ARG A 45 12.281 -3.951 10.325 1.00 61.42 N ATOM 724 CZ ARG A 45 13.314 -4.736 10.497 1.00 41.24 C ATOM 725 NH1 ARG A 45 14.490 -4.377 10.095 1.00 72.23 N ATOM 726 NH2 ARG A 45 13.168 -5.885 11.073 1.00 0.40 N ATOM 0 H ARG A 45 9.397 -1.395 13.576 1.00 51.41 H new ATOM 0 HA ARG A 45 9.327 0.076 11.009 1.00 53.34 H new ATOM 0 HB2 ARG A 45 11.538 -0.842 11.669 1.00 52.25 H new ATOM 0 HB3 ARG A 45 10.835 -2.431 11.893 1.00 52.25 H new ATOM 0 HG2 ARG A 45 10.218 -2.423 9.429 1.00 30.32 H new ATOM 0 HG3 ARG A 45 11.113 -0.926 9.263 1.00 30.32 H new ATOM 0 HD2 ARG A 45 12.553 -2.774 8.615 1.00 2.21 H new ATOM 0 HD3 ARG A 45 13.171 -2.069 10.096 1.00 2.21 H new ATOM 0 HE ARG A 45 11.375 -4.273 10.665 1.00 61.42 H new ATOM 0 HH11 ARG A 45 14.619 -3.474 9.639 1.00 72.23 H new ATOM 0 HH12 ARG A 45 15.288 -4.997 10.234 1.00 72.23 H new ATOM 0 HH21 ARG A 45 12.246 -6.181 11.394 1.00 0.40 H new ATOM 0 HH22 ARG A 45 13.975 -6.495 11.206 1.00 0.40 H new ATOM 740 N PHE A 46 7.242 -1.221 10.419 1.00 54.24 N ATOM 741 CA PHE A 46 6.191 -2.011 9.758 1.00 0.20 C ATOM 742 C PHE A 46 6.250 -1.838 8.234 1.00 35.05 C ATOM 743 O PHE A 46 6.005 -0.751 7.715 1.00 51.14 O ATOM 744 CB PHE A 46 4.798 -1.614 10.274 1.00 11.11 C ATOM 745 CG PHE A 46 4.546 -2.005 11.710 1.00 75.33 C ATOM 746 CD1 PHE A 46 5.122 -1.294 12.754 1.00 11.21 C ATOM 747 CD2 PHE A 46 3.739 -3.092 12.011 1.00 32.13 C ATOM 748 CE1 PHE A 46 4.896 -1.661 14.067 1.00 1.23 C ATOM 749 CE2 PHE A 46 3.512 -3.463 13.319 1.00 74.21 C ATOM 750 CZ PHE A 46 4.090 -2.746 14.350 1.00 62.22 C ATOM 0 H PHE A 46 7.092 -0.212 10.391 1.00 54.24 H new ATOM 0 HA PHE A 46 6.368 -3.059 9.998 1.00 0.20 H new ATOM 0 HB2 PHE A 46 4.678 -0.535 10.175 1.00 11.11 H new ATOM 0 HB3 PHE A 46 4.041 -2.079 9.642 1.00 11.11 H new ATOM 0 HD1 PHE A 46 5.753 -0.445 12.538 1.00 11.21 H new ATOM 0 HD2 PHE A 46 3.283 -3.655 11.210 1.00 32.13 H new ATOM 0 HE1 PHE A 46 5.349 -1.100 14.871 1.00 1.23 H new ATOM 0 HE2 PHE A 46 2.883 -4.313 13.538 1.00 74.21 H new ATOM 0 HZ PHE A 46 3.911 -3.034 15.375 1.00 62.22 H new ATOM 760 N VAL A 47 6.577 -2.921 7.530 1.00 61.54 N ATOM 761 CA VAL A 47 6.649 -2.919 6.066 1.00 65.32 C ATOM 762 C VAL A 47 5.447 -3.665 5.465 1.00 33.44 C ATOM 763 O VAL A 47 5.332 -4.887 5.594 1.00 40.22 O ATOM 764 CB VAL A 47 7.954 -3.591 5.563 1.00 41.12 C ATOM 765 CG1 VAL A 47 8.121 -3.403 4.053 1.00 72.12 C ATOM 766 CG2 VAL A 47 9.177 -3.069 6.321 1.00 45.30 C ATOM 0 H VAL A 47 6.799 -3.822 7.954 1.00 61.54 H new ATOM 0 HA VAL A 47 6.638 -1.877 5.745 1.00 65.32 H new ATOM 0 HB VAL A 47 7.874 -4.660 5.762 1.00 41.12 H new ATOM 0 HG11 VAL A 47 9.043 -3.883 3.726 1.00 72.12 H new ATOM 0 HG12 VAL A 47 7.274 -3.853 3.535 1.00 72.12 H new ATOM 0 HG13 VAL A 47 8.165 -2.339 3.821 1.00 72.12 H new ATOM 0 HG21 VAL A 47 10.075 -3.560 5.945 1.00 45.30 H new ATOM 0 HG22 VAL A 47 9.263 -1.992 6.175 1.00 45.30 H new ATOM 0 HG23 VAL A 47 9.065 -3.283 7.384 1.00 45.30 H new ATOM 776 N MET A 48 4.558 -2.928 4.810 1.00 22.01 N ATOM 777 CA MET A 48 3.360 -3.515 4.196 1.00 14.43 C ATOM 778 C MET A 48 3.436 -3.437 2.665 1.00 13.34 C ATOM 779 O MET A 48 3.997 -2.493 2.108 1.00 73.44 O ATOM 780 CB MET A 48 2.103 -2.786 4.694 1.00 31.13 C ATOM 781 CG MET A 48 1.946 -2.793 6.211 1.00 23.53 C ATOM 782 SD MET A 48 1.665 -4.440 6.888 1.00 1.23 S ATOM 783 CE MET A 48 0.044 -4.812 6.225 1.00 63.31 C ATOM 0 H MET A 48 4.639 -1.919 4.687 1.00 22.01 H new ATOM 0 HA MET A 48 3.307 -4.565 4.486 1.00 14.43 H new ATOM 0 HB2 MET A 48 2.132 -1.753 4.346 1.00 31.13 H new ATOM 0 HB3 MET A 48 1.224 -3.249 4.245 1.00 31.13 H new ATOM 0 HG2 MET A 48 2.842 -2.369 6.665 1.00 23.53 H new ATOM 0 HG3 MET A 48 1.113 -2.147 6.487 1.00 23.53 H new ATOM 0 HE1 MET A 48 -0.320 -5.745 6.656 1.00 63.31 H new ATOM 0 HE2 MET A 48 -0.645 -4.004 6.473 1.00 63.31 H new ATOM 0 HE3 MET A 48 0.109 -4.914 5.142 1.00 63.31 H new ATOM 793 N GLU A 49 2.873 -4.436 1.996 1.00 4.43 N ATOM 794 CA GLU A 49 2.832 -4.472 0.531 1.00 52.01 C ATOM 795 C GLU A 49 1.385 -4.524 0.027 1.00 34.11 C ATOM 796 O GLU A 49 0.491 -5.004 0.723 1.00 31.24 O ATOM 797 CB GLU A 49 3.614 -5.686 0.013 1.00 31.34 C ATOM 798 CG GLU A 49 3.638 -5.812 -1.506 1.00 51.25 C ATOM 799 CD GLU A 49 4.515 -6.956 -1.992 1.00 71.21 C ATOM 800 OE1 GLU A 49 4.051 -8.112 -1.993 1.00 43.33 O ATOM 801 OE2 GLU A 49 5.678 -6.703 -2.377 1.00 43.11 O ATOM 0 H GLU A 49 2.434 -5.240 2.445 1.00 4.43 H new ATOM 0 HA GLU A 49 3.294 -3.561 0.152 1.00 52.01 H new ATOM 0 HB2 GLU A 49 4.639 -5.626 0.378 1.00 31.34 H new ATOM 0 HB3 GLU A 49 3.178 -6.592 0.435 1.00 31.34 H new ATOM 0 HG2 GLU A 49 2.621 -5.961 -1.869 1.00 51.25 H new ATOM 0 HG3 GLU A 49 3.997 -4.877 -1.937 1.00 51.25 H new ATOM 808 N VAL A 50 1.161 -4.019 -1.179 1.00 73.42 N ATOM 809 CA VAL A 50 -0.167 -4.046 -1.790 1.00 0.20 C ATOM 810 C VAL A 50 -0.104 -4.414 -3.280 1.00 24.30 C ATOM 811 O VAL A 50 0.602 -3.775 -4.063 1.00 51.45 O ATOM 812 CB VAL A 50 -0.895 -2.687 -1.616 1.00 62.41 C ATOM 813 CG1 VAL A 50 -0.086 -1.536 -2.220 1.00 14.35 C ATOM 814 CG2 VAL A 50 -2.297 -2.745 -2.221 1.00 61.31 C ATOM 0 H VAL A 50 1.881 -3.585 -1.756 1.00 73.42 H new ATOM 0 HA VAL A 50 -0.734 -4.819 -1.271 1.00 0.20 H new ATOM 0 HB VAL A 50 -0.990 -2.495 -0.547 1.00 62.41 H new ATOM 0 HG11 VAL A 50 -0.626 -0.599 -2.080 1.00 14.35 H new ATOM 0 HG12 VAL A 50 0.883 -1.474 -1.725 1.00 14.35 H new ATOM 0 HG13 VAL A 50 0.061 -1.714 -3.285 1.00 14.35 H new ATOM 0 HG21 VAL A 50 -2.791 -1.782 -2.088 1.00 61.31 H new ATOM 0 HG22 VAL A 50 -2.225 -2.973 -3.285 1.00 61.31 H new ATOM 0 HG23 VAL A 50 -2.877 -3.522 -1.722 1.00 61.31 H new ATOM 824 N GLU A 51 -0.824 -5.470 -3.656 1.00 3.34 N ATOM 825 CA GLU A 51 -1.000 -5.825 -5.067 1.00 50.30 C ATOM 826 C GLU A 51 -2.029 -4.895 -5.720 1.00 33.51 C ATOM 827 O GLU A 51 -3.184 -4.826 -5.292 1.00 15.32 O ATOM 828 CB GLU A 51 -1.435 -7.299 -5.202 1.00 31.54 C ATOM 829 CG GLU A 51 -2.072 -7.664 -6.550 1.00 41.54 C ATOM 830 CD GLU A 51 -1.137 -7.556 -7.750 1.00 63.55 C ATOM 831 OE1 GLU A 51 -0.659 -6.448 -8.042 1.00 63.41 O ATOM 832 OE2 GLU A 51 -0.894 -8.587 -8.419 1.00 23.01 O ATOM 0 H GLU A 51 -1.296 -6.096 -3.004 1.00 3.34 H new ATOM 0 HA GLU A 51 -0.047 -5.703 -5.581 1.00 50.30 H new ATOM 0 HB2 GLU A 51 -0.564 -7.935 -5.044 1.00 31.54 H new ATOM 0 HB3 GLU A 51 -2.145 -7.527 -4.407 1.00 31.54 H new ATOM 0 HG2 GLU A 51 -2.450 -8.685 -6.493 1.00 41.54 H new ATOM 0 HG3 GLU A 51 -2.931 -7.015 -6.717 1.00 41.54 H new ATOM 839 N VAL A 52 -1.592 -4.182 -6.752 1.00 31.31 N ATOM 840 CA VAL A 52 -2.428 -3.191 -7.428 1.00 52.23 C ATOM 841 C VAL A 52 -2.394 -3.373 -8.952 1.00 5.23 C ATOM 842 O VAL A 52 -1.418 -3.004 -9.610 1.00 1.43 O ATOM 843 CB VAL A 52 -1.984 -1.743 -7.086 1.00 12.13 C ATOM 844 CG1 VAL A 52 -2.902 -0.718 -7.753 1.00 31.43 C ATOM 845 CG2 VAL A 52 -1.940 -1.527 -5.573 1.00 22.54 C ATOM 0 H VAL A 52 -0.654 -4.272 -7.143 1.00 31.31 H new ATOM 0 HA VAL A 52 -3.445 -3.349 -7.069 1.00 52.23 H new ATOM 0 HB VAL A 52 -0.977 -1.601 -7.477 1.00 12.13 H new ATOM 0 HG11 VAL A 52 -2.570 0.288 -7.498 1.00 31.43 H new ATOM 0 HG12 VAL A 52 -2.868 -0.848 -8.835 1.00 31.43 H new ATOM 0 HG13 VAL A 52 -3.924 -0.862 -7.403 1.00 31.43 H new ATOM 0 HG21 VAL A 52 -1.626 -0.505 -5.360 1.00 22.54 H new ATOM 0 HG22 VAL A 52 -2.931 -1.697 -5.152 1.00 22.54 H new ATOM 0 HG23 VAL A 52 -1.231 -2.224 -5.126 1.00 22.54 H new ATOM 855 N ASP A 53 -3.451 -3.970 -9.501 1.00 71.03 N ATOM 856 CA ASP A 53 -3.619 -4.090 -10.956 1.00 15.13 C ATOM 857 C ASP A 53 -2.513 -4.963 -11.601 1.00 65.13 C ATOM 858 O ASP A 53 -2.339 -4.974 -12.822 1.00 13.30 O ATOM 859 CB ASP A 53 -3.644 -2.675 -11.565 1.00 1.44 C ATOM 860 CG ASP A 53 -4.013 -2.646 -13.036 1.00 1.41 C ATOM 861 OD1 ASP A 53 -5.011 -3.289 -13.420 1.00 64.32 O ATOM 862 OD2 ASP A 53 -3.310 -1.969 -13.813 1.00 14.21 O ATOM 0 H ASP A 53 -4.211 -4.382 -8.959 1.00 71.03 H new ATOM 0 HA ASP A 53 -4.561 -4.597 -11.163 1.00 15.13 H new ATOM 0 HB2 ASP A 53 -4.355 -2.064 -11.010 1.00 1.44 H new ATOM 0 HB3 ASP A 53 -2.663 -2.218 -11.437 1.00 1.44 H new ATOM 867 N GLY A 54 -1.788 -5.720 -10.775 1.00 74.20 N ATOM 868 CA GLY A 54 -0.690 -6.555 -11.266 1.00 1.42 C ATOM 869 C GLY A 54 0.682 -6.015 -10.872 1.00 24.13 C ATOM 870 O GLY A 54 1.711 -6.489 -11.357 1.00 20.22 O ATOM 0 H GLY A 54 -1.940 -5.772 -9.768 1.00 74.20 H new ATOM 0 HA2 GLY A 54 -0.804 -7.566 -10.874 1.00 1.42 H new ATOM 0 HA3 GLY A 54 -0.750 -6.625 -12.352 1.00 1.42 H new ATOM 874 N GLN A 55 0.691 -5.022 -9.984 1.00 55.55 N ATOM 875 CA GLN A 55 1.926 -4.371 -9.528 1.00 43.25 C ATOM 876 C GLN A 55 1.936 -4.242 -7.994 1.00 41.34 C ATOM 877 O GLN A 55 1.100 -3.544 -7.419 1.00 61.25 O ATOM 878 CB GLN A 55 2.041 -2.980 -10.176 1.00 51.22 C ATOM 879 CG GLN A 55 2.108 -3.012 -11.703 1.00 54.34 C ATOM 880 CD GLN A 55 1.809 -1.664 -12.338 1.00 62.22 C ATOM 881 OE1 GLN A 55 2.698 -0.844 -12.555 1.00 23.02 O ATOM 882 NE2 GLN A 55 0.549 -1.423 -12.641 1.00 71.53 N ATOM 0 H GLN A 55 -0.155 -4.644 -9.558 1.00 55.55 H new ATOM 0 HA GLN A 55 2.778 -4.982 -9.825 1.00 43.25 H new ATOM 0 HB2 GLN A 55 1.186 -2.377 -9.872 1.00 51.22 H new ATOM 0 HB3 GLN A 55 2.933 -2.484 -9.793 1.00 51.22 H new ATOM 0 HG2 GLN A 55 3.101 -3.341 -12.011 1.00 54.34 H new ATOM 0 HG3 GLN A 55 1.398 -3.749 -12.077 1.00 54.34 H new ATOM 0 HE21 GLN A 55 -0.165 -2.125 -12.448 1.00 71.53 H new ATOM 0 HE22 GLN A 55 0.288 -0.534 -13.069 1.00 71.53 H new ATOM 891 N LYS A 56 2.874 -4.925 -7.330 1.00 10.42 N ATOM 892 CA LYS A 56 2.958 -4.890 -5.860 1.00 52.43 C ATOM 893 C LYS A 56 3.894 -3.774 -5.372 1.00 32.22 C ATOM 894 O LYS A 56 5.080 -3.753 -5.711 1.00 0.13 O ATOM 895 CB LYS A 56 3.449 -6.235 -5.292 1.00 54.13 C ATOM 896 CG LYS A 56 2.492 -7.409 -5.479 1.00 4.44 C ATOM 897 CD LYS A 56 2.436 -7.882 -6.924 1.00 50.35 C ATOM 898 CE LYS A 56 1.813 -9.268 -7.037 1.00 42.03 C ATOM 899 NZ LYS A 56 1.598 -9.663 -8.452 1.00 3.24 N ATOM 0 H LYS A 56 3.582 -5.505 -7.780 1.00 10.42 H new ATOM 0 HA LYS A 56 1.949 -4.693 -5.499 1.00 52.43 H new ATOM 0 HB2 LYS A 56 4.400 -6.484 -5.763 1.00 54.13 H new ATOM 0 HB3 LYS A 56 3.643 -6.112 -4.227 1.00 54.13 H new ATOM 0 HG2 LYS A 56 2.804 -8.235 -4.840 1.00 4.44 H new ATOM 0 HG3 LYS A 56 1.493 -7.116 -5.156 1.00 4.44 H new ATOM 0 HD2 LYS A 56 1.858 -7.173 -7.517 1.00 50.35 H new ATOM 0 HD3 LYS A 56 3.443 -7.900 -7.341 1.00 50.35 H new ATOM 0 HE2 LYS A 56 2.460 -9.998 -6.550 1.00 42.03 H new ATOM 0 HE3 LYS A 56 0.861 -9.283 -6.507 1.00 42.03 H new ATOM 0 HZ1 LYS A 56 1.518 -10.698 -8.515 1.00 3.24 H new ATOM 0 HZ2 LYS A 56 0.723 -9.226 -8.805 1.00 3.24 H new ATOM 0 HZ3 LYS A 56 2.402 -9.342 -9.028 1.00 3.24 H new ATOM 913 N PHE A 57 3.361 -2.866 -4.555 1.00 64.51 N ATOM 914 CA PHE A 57 4.149 -1.755 -3.991 1.00 10.52 C ATOM 915 C PHE A 57 4.295 -1.890 -2.462 1.00 1.03 C ATOM 916 O PHE A 57 3.373 -2.342 -1.784 1.00 43.15 O ATOM 917 CB PHE A 57 3.487 -0.415 -4.334 1.00 32.22 C ATOM 918 CG PHE A 57 3.357 -0.165 -5.818 1.00 31.12 C ATOM 919 CD1 PHE A 57 4.389 0.431 -6.528 1.00 10.23 C ATOM 920 CD2 PHE A 57 2.203 -0.526 -6.501 1.00 32.14 C ATOM 921 CE1 PHE A 57 4.274 0.660 -7.887 1.00 54.42 C ATOM 922 CE2 PHE A 57 2.083 -0.298 -7.858 1.00 53.22 C ATOM 923 CZ PHE A 57 3.119 0.296 -8.551 1.00 64.22 C ATOM 0 H PHE A 57 2.383 -2.873 -4.264 1.00 64.51 H new ATOM 0 HA PHE A 57 5.145 -1.792 -4.432 1.00 10.52 H new ATOM 0 HB2 PHE A 57 2.496 -0.383 -3.881 1.00 32.22 H new ATOM 0 HB3 PHE A 57 4.068 0.392 -3.888 1.00 32.22 H new ATOM 0 HD1 PHE A 57 5.293 0.720 -6.013 1.00 10.23 H new ATOM 0 HD2 PHE A 57 1.389 -0.991 -5.964 1.00 32.14 H new ATOM 0 HE1 PHE A 57 5.086 1.123 -8.428 1.00 54.42 H new ATOM 0 HE2 PHE A 57 1.180 -0.584 -8.376 1.00 53.22 H new ATOM 0 HZ PHE A 57 3.026 0.476 -9.612 1.00 64.22 H new ATOM 933 N GLN A 58 5.457 -1.490 -1.928 1.00 32.51 N ATOM 934 CA GLN A 58 5.738 -1.606 -0.484 1.00 52.32 C ATOM 935 C GLN A 58 5.921 -0.237 0.195 1.00 71.43 C ATOM 936 O GLN A 58 6.413 0.717 -0.411 1.00 54.21 O ATOM 937 CB GLN A 58 6.995 -2.459 -0.250 1.00 32.32 C ATOM 938 CG GLN A 58 6.787 -3.951 -0.489 1.00 63.22 C ATOM 939 CD GLN A 58 8.056 -4.765 -0.297 1.00 51.13 C ATOM 940 OE1 GLN A 58 8.942 -4.396 0.468 1.00 71.52 O ATOM 941 NE2 GLN A 58 8.143 -5.891 -0.971 1.00 42.23 N ATOM 0 H GLN A 58 6.219 -1.083 -2.471 1.00 32.51 H new ATOM 0 HA GLN A 58 4.869 -2.087 -0.035 1.00 52.32 H new ATOM 0 HB2 GLN A 58 7.790 -2.104 -0.906 1.00 32.32 H new ATOM 0 HB3 GLN A 58 7.337 -2.310 0.774 1.00 32.32 H new ATOM 0 HG2 GLN A 58 6.019 -4.319 0.192 1.00 63.22 H new ATOM 0 HG3 GLN A 58 6.414 -4.103 -1.502 1.00 63.22 H new ATOM 0 HE21 GLN A 58 7.389 -6.169 -1.599 1.00 42.23 H new ATOM 0 HE22 GLN A 58 8.965 -6.486 -0.866 1.00 42.23 H new ATOM 950 N GLY A 59 5.534 -0.161 1.470 1.00 62.43 N ATOM 951 CA GLY A 59 5.712 1.058 2.256 1.00 72.41 C ATOM 952 C GLY A 59 5.900 0.770 3.747 1.00 33.34 C ATOM 953 O GLY A 59 5.308 -0.170 4.282 1.00 75.31 O ATOM 0 H GLY A 59 5.096 -0.929 1.978 1.00 62.43 H new ATOM 0 HA2 GLY A 59 6.578 1.604 1.883 1.00 72.41 H new ATOM 0 HA3 GLY A 59 4.845 1.704 2.120 1.00 72.41 H new ATOM 957 N ALA A 60 6.720 1.577 4.422 1.00 23.22 N ATOM 958 CA ALA A 60 7.017 1.370 5.848 1.00 32.42 C ATOM 959 C ALA A 60 6.527 2.538 6.720 1.00 2.14 C ATOM 960 O ALA A 60 6.739 3.706 6.385 1.00 3.42 O ATOM 961 CB ALA A 60 8.517 1.156 6.043 1.00 14.21 C ATOM 0 H ALA A 60 7.192 2.381 4.008 1.00 23.22 H new ATOM 0 HA ALA A 60 6.477 0.480 6.170 1.00 32.42 H new ATOM 0 HB1 ALA A 60 8.728 1.004 7.101 1.00 14.21 H new ATOM 0 HB2 ALA A 60 8.836 0.279 5.479 1.00 14.21 H new ATOM 0 HB3 ALA A 60 9.059 2.032 5.687 1.00 14.21 H new ATOM 967 N GLY A 61 5.887 2.216 7.846 1.00 23.52 N ATOM 968 CA GLY A 61 5.364 3.248 8.745 1.00 0.13 C ATOM 969 C GLY A 61 5.462 2.877 10.225 1.00 43.42 C ATOM 970 O GLY A 61 5.844 1.757 10.570 1.00 41.33 O ATOM 0 H GLY A 61 5.719 1.259 8.155 1.00 23.52 H new ATOM 0 HA2 GLY A 61 5.909 4.176 8.575 1.00 0.13 H new ATOM 0 HA3 GLY A 61 4.321 3.441 8.496 1.00 0.13 H new ATOM 974 N SER A 62 5.104 3.827 11.099 1.00 73.23 N ATOM 975 CA SER A 62 5.162 3.625 12.561 1.00 0.40 C ATOM 976 C SER A 62 4.222 2.505 13.022 1.00 24.44 C ATOM 977 O SER A 62 4.578 1.689 13.873 1.00 3.51 O ATOM 978 CB SER A 62 4.790 4.919 13.295 1.00 5.43 C ATOM 979 OG SER A 62 3.456 5.316 12.996 1.00 54.02 O ATOM 0 H SER A 62 4.769 4.749 10.821 1.00 73.23 H new ATOM 0 HA SER A 62 6.186 3.339 12.802 1.00 0.40 H new ATOM 0 HB2 SER A 62 4.897 4.774 14.370 1.00 5.43 H new ATOM 0 HB3 SER A 62 5.481 5.713 13.011 1.00 5.43 H new ATOM 0 HG SER A 62 3.245 6.142 13.478 1.00 54.02 H new ATOM 985 N ASN A 63 3.010 2.487 12.481 1.00 1.31 N ATOM 986 CA ASN A 63 2.045 1.430 12.786 1.00 3.32 C ATOM 987 C ASN A 63 1.544 0.759 11.502 1.00 13.14 C ATOM 988 O ASN A 63 1.578 1.357 10.427 1.00 32.02 O ATOM 989 CB ASN A 63 0.873 1.981 13.610 1.00 20.52 C ATOM 990 CG ASN A 63 0.183 3.157 12.947 1.00 2.44 C ATOM 991 OD1 ASN A 63 -0.763 2.993 12.182 1.00 1.12 O ATOM 992 ND2 ASN A 63 0.659 4.353 13.228 1.00 64.43 N ATOM 0 H ASN A 63 2.669 3.192 11.828 1.00 1.31 H new ATOM 0 HA ASN A 63 2.552 0.673 13.385 1.00 3.32 H new ATOM 0 HB2 ASN A 63 0.146 1.186 13.774 1.00 20.52 H new ATOM 0 HB3 ASN A 63 1.238 2.287 14.591 1.00 20.52 H new ATOM 0 HD21 ASN A 63 0.240 5.181 12.805 1.00 64.43 H new ATOM 0 HD22 ASN A 63 1.447 4.451 13.869 1.00 64.43 H new ATOM 999 N LYS A 64 1.079 -0.482 11.635 1.00 2.55 N ATOM 1000 CA LYS A 64 0.628 -1.300 10.496 1.00 54.20 C ATOM 1001 C LYS A 64 -0.323 -0.524 9.561 1.00 51.35 C ATOM 1002 O LYS A 64 -0.216 -0.610 8.337 1.00 73.14 O ATOM 1003 CB LYS A 64 -0.071 -2.560 11.031 1.00 53.15 C ATOM 1004 CG LYS A 64 -0.238 -3.676 10.004 1.00 22.02 C ATOM 1005 CD LYS A 64 -1.127 -4.799 10.541 1.00 3.43 C ATOM 1006 CE LYS A 64 -0.602 -5.379 11.855 1.00 21.41 C ATOM 1007 NZ LYS A 64 0.667 -6.134 11.675 1.00 4.40 N ATOM 0 H LYS A 64 1.002 -0.955 12.535 1.00 2.55 H new ATOM 0 HA LYS A 64 1.503 -1.573 9.906 1.00 54.20 H new ATOM 0 HB2 LYS A 64 0.499 -2.944 11.877 1.00 53.15 H new ATOM 0 HB3 LYS A 64 -1.055 -2.281 11.409 1.00 53.15 H new ATOM 0 HG2 LYS A 64 -0.673 -3.270 9.091 1.00 22.02 H new ATOM 0 HG3 LYS A 64 0.740 -4.079 9.739 1.00 22.02 H new ATOM 0 HD2 LYS A 64 -2.137 -4.418 10.693 1.00 3.43 H new ATOM 0 HD3 LYS A 64 -1.194 -5.593 9.797 1.00 3.43 H new ATOM 0 HE2 LYS A 64 -0.442 -4.570 12.568 1.00 21.41 H new ATOM 0 HE3 LYS A 64 -1.356 -6.038 12.285 1.00 21.41 H new ATOM 0 HZ1 LYS A 64 1.036 -6.420 12.604 1.00 4.40 H new ATOM 0 HZ2 LYS A 64 0.488 -6.980 11.098 1.00 4.40 H new ATOM 0 HZ3 LYS A 64 1.366 -5.530 11.197 1.00 4.40 H new ATOM 1021 N LYS A 65 -1.239 0.242 10.153 1.00 11.34 N ATOM 1022 CA LYS A 65 -2.211 1.037 9.387 1.00 31.12 C ATOM 1023 C LYS A 65 -1.525 2.139 8.556 1.00 44.41 C ATOM 1024 O LYS A 65 -1.800 2.292 7.362 1.00 53.51 O ATOM 1025 CB LYS A 65 -3.243 1.654 10.343 1.00 74.13 C ATOM 1026 CG LYS A 65 -4.068 0.617 11.100 1.00 71.43 C ATOM 1027 CD LYS A 65 -4.956 1.258 12.165 1.00 73.21 C ATOM 1028 CE LYS A 65 -4.134 1.917 13.267 1.00 73.40 C ATOM 1029 NZ LYS A 65 -4.996 2.524 14.315 1.00 20.44 N ATOM 0 H LYS A 65 -1.332 0.332 11.165 1.00 11.34 H new ATOM 0 HA LYS A 65 -2.714 0.369 8.687 1.00 31.12 H new ATOM 0 HB2 LYS A 65 -2.726 2.290 11.061 1.00 74.13 H new ATOM 0 HB3 LYS A 65 -3.915 2.296 9.774 1.00 74.13 H new ATOM 0 HG2 LYS A 65 -4.689 0.063 10.396 1.00 71.43 H new ATOM 0 HG3 LYS A 65 -3.400 -0.104 11.571 1.00 71.43 H new ATOM 0 HD2 LYS A 65 -5.602 2.002 11.699 1.00 73.21 H new ATOM 0 HD3 LYS A 65 -5.606 0.499 12.601 1.00 73.21 H new ATOM 0 HE2 LYS A 65 -3.477 1.176 13.722 1.00 73.40 H new ATOM 0 HE3 LYS A 65 -3.495 2.686 12.833 1.00 73.40 H new ATOM 0 HZ1 LYS A 65 -4.399 2.961 15.045 1.00 20.44 H new ATOM 0 HZ2 LYS A 65 -5.605 3.249 13.886 1.00 20.44 H new ATOM 0 HZ3 LYS A 65 -5.588 1.786 14.748 1.00 20.44 H new ATOM 1043 N VAL A 66 -0.640 2.908 9.187 1.00 41.42 N ATOM 1044 CA VAL A 66 0.109 3.959 8.484 1.00 4.15 C ATOM 1045 C VAL A 66 1.091 3.357 7.460 1.00 51.10 C ATOM 1046 O VAL A 66 1.349 3.943 6.407 1.00 62.41 O ATOM 1047 CB VAL A 66 0.870 4.877 9.478 1.00 20.12 C ATOM 1048 CG1 VAL A 66 1.750 5.881 8.739 1.00 64.43 C ATOM 1049 CG2 VAL A 66 -0.112 5.602 10.397 1.00 21.43 C ATOM 0 H VAL A 66 -0.421 2.827 10.180 1.00 41.42 H new ATOM 0 HA VAL A 66 -0.620 4.566 7.948 1.00 4.15 H new ATOM 0 HB VAL A 66 1.518 4.247 10.087 1.00 20.12 H new ATOM 0 HG11 VAL A 66 2.270 6.510 9.462 1.00 64.43 H new ATOM 0 HG12 VAL A 66 2.480 5.347 8.131 1.00 64.43 H new ATOM 0 HG13 VAL A 66 1.129 6.505 8.096 1.00 64.43 H new ATOM 0 HG21 VAL A 66 0.439 6.241 11.087 1.00 21.43 H new ATOM 0 HG22 VAL A 66 -0.788 6.213 9.798 1.00 21.43 H new ATOM 0 HG23 VAL A 66 -0.689 4.870 10.962 1.00 21.43 H new ATOM 1059 N ALA A 67 1.622 2.178 7.767 1.00 34.25 N ATOM 1060 CA ALA A 67 2.486 1.454 6.833 1.00 32.34 C ATOM 1061 C ALA A 67 1.718 1.101 5.550 1.00 31.45 C ATOM 1062 O ALA A 67 2.217 1.294 4.440 1.00 32.54 O ATOM 1063 CB ALA A 67 3.038 0.201 7.497 1.00 31.33 C ATOM 0 H ALA A 67 1.471 1.701 8.656 1.00 34.25 H new ATOM 0 HA ALA A 67 3.322 2.096 6.558 1.00 32.34 H new ATOM 0 HB1 ALA A 67 3.679 -0.331 6.794 1.00 31.33 H new ATOM 0 HB2 ALA A 67 3.617 0.481 8.377 1.00 31.33 H new ATOM 0 HB3 ALA A 67 2.213 -0.446 7.796 1.00 31.33 H new ATOM 1069 N LYS A 68 0.492 0.594 5.715 1.00 14.33 N ATOM 1070 CA LYS A 68 -0.411 0.353 4.582 1.00 35.43 C ATOM 1071 C LYS A 68 -0.661 1.647 3.795 1.00 52.03 C ATOM 1072 O LYS A 68 -0.788 1.629 2.572 1.00 43.21 O ATOM 1073 CB LYS A 68 -1.749 -0.214 5.073 1.00 74.40 C ATOM 1074 CG LYS A 68 -1.651 -1.607 5.686 1.00 54.31 C ATOM 1075 CD LYS A 68 -2.975 -2.045 6.306 1.00 45.04 C ATOM 1076 CE LYS A 68 -4.112 -2.029 5.291 1.00 71.34 C ATOM 1077 NZ LYS A 68 -5.420 -2.351 5.917 1.00 13.31 N ATOM 0 H LYS A 68 0.101 0.342 6.623 1.00 14.33 H new ATOM 0 HA LYS A 68 0.067 -0.372 3.924 1.00 35.43 H new ATOM 0 HB2 LYS A 68 -2.170 0.467 5.813 1.00 74.40 H new ATOM 0 HB3 LYS A 68 -2.446 -0.246 4.236 1.00 74.40 H new ATOM 0 HG2 LYS A 68 -1.354 -2.322 4.919 1.00 54.31 H new ATOM 0 HG3 LYS A 68 -0.872 -1.615 6.448 1.00 54.31 H new ATOM 0 HD2 LYS A 68 -2.869 -3.049 6.716 1.00 45.04 H new ATOM 0 HD3 LYS A 68 -3.222 -1.385 7.138 1.00 45.04 H new ATOM 0 HE2 LYS A 68 -4.166 -1.046 4.823 1.00 71.34 H new ATOM 0 HE3 LYS A 68 -3.902 -2.748 4.499 1.00 71.34 H new ATOM 0 HZ1 LYS A 68 -6.166 -2.329 5.193 1.00 13.31 H new ATOM 0 HZ2 LYS A 68 -5.377 -3.299 6.342 1.00 13.31 H new ATOM 0 HZ3 LYS A 68 -5.634 -1.650 6.655 1.00 13.31 H new ATOM 1091 N ALA A 69 -0.742 2.767 4.514 1.00 50.22 N ATOM 1092 CA ALA A 69 -0.909 4.084 3.890 1.00 3.41 C ATOM 1093 C ALA A 69 0.266 4.423 2.957 1.00 13.32 C ATOM 1094 O ALA A 69 0.065 4.945 1.859 1.00 43.04 O ATOM 1095 CB ALA A 69 -1.075 5.158 4.961 1.00 13.32 C ATOM 0 H ALA A 69 -0.695 2.790 5.533 1.00 50.22 H new ATOM 0 HA ALA A 69 -1.811 4.053 3.279 1.00 3.41 H new ATOM 0 HB1 ALA A 69 -1.198 6.131 4.485 1.00 13.32 H new ATOM 0 HB2 ALA A 69 -1.954 4.936 5.566 1.00 13.32 H new ATOM 0 HB3 ALA A 69 -0.191 5.175 5.599 1.00 13.32 H new ATOM 1101 N TYR A 70 1.490 4.126 3.395 1.00 32.10 N ATOM 1102 CA TYR A 70 2.679 4.320 2.551 1.00 44.52 C ATOM 1103 C TYR A 70 2.676 3.368 1.348 1.00 54.23 C ATOM 1104 O TYR A 70 3.030 3.763 0.236 1.00 40.41 O ATOM 1105 CB TYR A 70 3.966 4.132 3.366 1.00 24.14 C ATOM 1106 CG TYR A 70 4.276 5.295 4.287 1.00 0.44 C ATOM 1107 CD1 TYR A 70 4.806 6.478 3.782 1.00 45.34 C ATOM 1108 CD2 TYR A 70 4.029 5.217 5.653 1.00 12.40 C ATOM 1109 CE1 TYR A 70 5.087 7.543 4.612 1.00 13.51 C ATOM 1110 CE2 TYR A 70 4.308 6.279 6.486 1.00 52.23 C ATOM 1111 CZ TYR A 70 4.832 7.439 5.962 1.00 22.21 C ATOM 1112 OH TYR A 70 5.103 8.500 6.792 1.00 14.34 O ATOM 0 H TYR A 70 1.688 3.752 4.323 1.00 32.10 H new ATOM 0 HA TYR A 70 2.646 5.343 2.176 1.00 44.52 H new ATOM 0 HB2 TYR A 70 3.880 3.222 3.960 1.00 24.14 H new ATOM 0 HB3 TYR A 70 4.802 3.989 2.681 1.00 24.14 H new ATOM 0 HD1 TYR A 70 5.000 6.564 2.723 1.00 45.34 H new ATOM 0 HD2 TYR A 70 3.612 4.311 6.067 1.00 12.40 H new ATOM 0 HE1 TYR A 70 5.504 8.453 4.206 1.00 13.51 H new ATOM 0 HE2 TYR A 70 4.116 6.201 7.546 1.00 52.23 H new ATOM 0 HH TYR A 70 4.262 8.891 7.109 1.00 14.34 H new ATOM 1122 N ALA A 71 2.287 2.114 1.577 1.00 5.12 N ATOM 1123 CA ALA A 71 2.151 1.136 0.491 1.00 33.14 C ATOM 1124 C ALA A 71 1.135 1.617 -0.557 1.00 10.14 C ATOM 1125 O ALA A 71 1.372 1.528 -1.761 1.00 13.24 O ATOM 1126 CB ALA A 71 1.745 -0.225 1.050 1.00 51.02 C ATOM 0 H ALA A 71 2.060 1.749 2.502 1.00 5.12 H new ATOM 0 HA ALA A 71 3.118 1.034 -0.001 1.00 33.14 H new ATOM 0 HB1 ALA A 71 1.648 -0.940 0.233 1.00 51.02 H new ATOM 0 HB2 ALA A 71 2.506 -0.573 1.748 1.00 51.02 H new ATOM 0 HB3 ALA A 71 0.791 -0.135 1.569 1.00 51.02 H new ATOM 1132 N ALA A 72 0.008 2.141 -0.081 1.00 35.03 N ATOM 1133 CA ALA A 72 -1.020 2.705 -0.961 1.00 51.21 C ATOM 1134 C ALA A 72 -0.496 3.931 -1.720 1.00 33.41 C ATOM 1135 O ALA A 72 -0.688 4.054 -2.931 1.00 14.31 O ATOM 1136 CB ALA A 72 -2.260 3.068 -0.154 1.00 20.33 C ATOM 0 H ALA A 72 -0.220 2.188 0.912 1.00 35.03 H new ATOM 0 HA ALA A 72 -1.286 1.947 -1.698 1.00 51.21 H new ATOM 0 HB1 ALA A 72 -3.017 3.486 -0.818 1.00 20.33 H new ATOM 0 HB2 ALA A 72 -2.655 2.174 0.329 1.00 20.33 H new ATOM 0 HB3 ALA A 72 -1.997 3.804 0.606 1.00 20.33 H new ATOM 1142 N LEU A 73 0.173 4.834 -1.004 1.00 3.15 N ATOM 1143 CA LEU A 73 0.784 6.017 -1.623 1.00 1.34 C ATOM 1144 C LEU A 73 1.852 5.629 -2.660 1.00 13.44 C ATOM 1145 O LEU A 73 2.018 6.308 -3.670 1.00 62.43 O ATOM 1146 CB LEU A 73 1.386 6.941 -0.550 1.00 1.41 C ATOM 1147 CG LEU A 73 0.368 7.807 0.208 1.00 63.34 C ATOM 1148 CD1 LEU A 73 1.044 8.599 1.325 1.00 11.42 C ATOM 1149 CD2 LEU A 73 -0.354 8.747 -0.754 1.00 53.15 C ATOM 0 H LEU A 73 0.307 4.772 0.005 1.00 3.15 H new ATOM 0 HA LEU A 73 -0.005 6.556 -2.147 1.00 1.34 H new ATOM 0 HB2 LEU A 73 1.928 6.330 0.171 1.00 1.41 H new ATOM 0 HB3 LEU A 73 2.116 7.597 -1.025 1.00 1.41 H new ATOM 0 HG LEU A 73 -0.367 7.143 0.664 1.00 63.34 H new ATOM 0 HD11 LEU A 73 0.300 9.203 1.845 1.00 11.42 H new ATOM 0 HD12 LEU A 73 1.508 7.910 2.030 1.00 11.42 H new ATOM 0 HD13 LEU A 73 1.807 9.251 0.899 1.00 11.42 H new ATOM 0 HD21 LEU A 73 -1.071 9.353 -0.201 1.00 53.15 H new ATOM 0 HD22 LEU A 73 0.372 9.398 -1.240 1.00 53.15 H new ATOM 0 HD23 LEU A 73 -0.879 8.162 -1.509 1.00 53.15 H new ATOM 1161 N ALA A 74 2.562 4.529 -2.416 1.00 23.23 N ATOM 1162 CA ALA A 74 3.550 4.021 -3.377 1.00 4.21 C ATOM 1163 C ALA A 74 2.880 3.641 -4.707 1.00 55.12 C ATOM 1164 O ALA A 74 3.456 3.809 -5.782 1.00 44.35 O ATOM 1165 CB ALA A 74 4.295 2.828 -2.787 1.00 30.31 C ATOM 0 H ALA A 74 2.475 3.972 -1.566 1.00 23.23 H new ATOM 0 HA ALA A 74 4.269 4.814 -3.581 1.00 4.21 H new ATOM 0 HB1 ALA A 74 5.024 2.461 -3.509 1.00 30.31 H new ATOM 0 HB2 ALA A 74 4.809 3.134 -1.876 1.00 30.31 H new ATOM 0 HB3 ALA A 74 3.585 2.035 -2.554 1.00 30.31 H new ATOM 1171 N ALA A 75 1.653 3.128 -4.621 1.00 63.23 N ATOM 1172 CA ALA A 75 0.864 2.801 -5.810 1.00 23.12 C ATOM 1173 C ALA A 75 0.270 4.065 -6.453 1.00 44.22 C ATOM 1174 O ALA A 75 0.332 4.243 -7.670 1.00 42.25 O ATOM 1175 CB ALA A 75 -0.246 1.820 -5.451 1.00 42.33 C ATOM 0 H ALA A 75 1.182 2.929 -3.738 1.00 63.23 H new ATOM 0 HA ALA A 75 1.529 2.336 -6.538 1.00 23.12 H new ATOM 0 HB1 ALA A 75 -0.826 1.584 -6.343 1.00 42.33 H new ATOM 0 HB2 ALA A 75 0.192 0.906 -5.051 1.00 42.33 H new ATOM 0 HB3 ALA A 75 -0.899 2.268 -4.702 1.00 42.33 H new ATOM 1181 N LEU A 76 -0.303 4.942 -5.625 1.00 35.40 N ATOM 1182 CA LEU A 76 -0.897 6.199 -6.101 1.00 41.42 C ATOM 1183 C LEU A 76 0.129 7.072 -6.841 1.00 31.42 C ATOM 1184 O LEU A 76 -0.064 7.418 -8.000 1.00 62.32 O ATOM 1185 CB LEU A 76 -1.500 6.987 -4.926 1.00 12.21 C ATOM 1186 CG LEU A 76 -2.733 6.348 -4.262 1.00 61.21 C ATOM 1187 CD1 LEU A 76 -3.166 7.151 -3.035 1.00 21.02 C ATOM 1188 CD2 LEU A 76 -3.885 6.230 -5.262 1.00 43.43 C ATOM 0 H LEU A 76 -0.369 4.806 -4.616 1.00 35.40 H new ATOM 0 HA LEU A 76 -1.687 5.938 -6.806 1.00 41.42 H new ATOM 0 HB2 LEU A 76 -0.729 7.121 -4.167 1.00 12.21 H new ATOM 0 HB3 LEU A 76 -1.774 7.981 -5.280 1.00 12.21 H new ATOM 0 HG LEU A 76 -2.460 5.345 -3.934 1.00 61.21 H new ATOM 0 HD11 LEU A 76 -4.039 6.681 -2.582 1.00 21.02 H new ATOM 0 HD12 LEU A 76 -2.351 7.177 -2.311 1.00 21.02 H new ATOM 0 HD13 LEU A 76 -3.417 8.168 -3.336 1.00 21.02 H new ATOM 0 HD21 LEU A 76 -4.747 5.776 -4.773 1.00 43.43 H new ATOM 0 HD22 LEU A 76 -4.155 7.222 -5.625 1.00 43.43 H new ATOM 0 HD23 LEU A 76 -3.575 5.608 -6.102 1.00 43.43 H new ATOM 1200 N GLU A 77 1.233 7.390 -6.174 1.00 12.31 N ATOM 1201 CA GLU A 77 2.269 8.270 -6.736 1.00 64.54 C ATOM 1202 C GLU A 77 2.931 7.684 -8.001 1.00 24.14 C ATOM 1203 O GLU A 77 3.641 8.391 -8.720 1.00 45.04 O ATOM 1204 CB GLU A 77 3.338 8.562 -5.673 1.00 23.12 C ATOM 1205 CG GLU A 77 2.805 9.281 -4.434 1.00 24.34 C ATOM 1206 CD GLU A 77 2.311 10.690 -4.731 1.00 23.30 C ATOM 1207 OE1 GLU A 77 3.159 11.596 -4.901 1.00 42.55 O ATOM 1208 OE2 GLU A 77 1.080 10.907 -4.783 1.00 45.32 O ATOM 0 H GLU A 77 1.441 7.051 -5.235 1.00 12.31 H new ATOM 0 HA GLU A 77 1.775 9.195 -7.035 1.00 64.54 H new ATOM 0 HB2 GLU A 77 3.796 7.622 -5.366 1.00 23.12 H new ATOM 0 HB3 GLU A 77 4.125 9.168 -6.121 1.00 23.12 H new ATOM 0 HG2 GLU A 77 1.989 8.699 -4.005 1.00 24.34 H new ATOM 0 HG3 GLU A 77 3.592 9.329 -3.682 1.00 24.34 H new ATOM 1215 N LYS A 78 2.707 6.394 -8.265 1.00 75.34 N ATOM 1216 CA LYS A 78 3.308 5.725 -9.430 1.00 60.14 C ATOM 1217 C LYS A 78 2.283 5.548 -10.575 1.00 43.02 C ATOM 1218 O LYS A 78 2.544 5.921 -11.719 1.00 62.43 O ATOM 1219 CB LYS A 78 3.897 4.362 -9.000 1.00 64.45 C ATOM 1220 CG LYS A 78 4.914 3.760 -9.982 1.00 40.44 C ATOM 1221 CD LYS A 78 4.253 3.075 -11.177 1.00 35.34 C ATOM 1222 CE LYS A 78 5.282 2.593 -12.196 1.00 20.51 C ATOM 1223 NZ LYS A 78 6.225 1.598 -11.619 1.00 70.14 N ATOM 0 H LYS A 78 2.117 5.791 -7.692 1.00 75.34 H new ATOM 0 HA LYS A 78 4.111 6.355 -9.813 1.00 60.14 H new ATOM 0 HB2 LYS A 78 4.377 4.480 -8.029 1.00 64.45 H new ATOM 0 HB3 LYS A 78 3.079 3.654 -8.867 1.00 64.45 H new ATOM 0 HG2 LYS A 78 5.575 4.549 -10.342 1.00 40.44 H new ATOM 0 HG3 LYS A 78 5.537 3.038 -9.455 1.00 40.44 H new ATOM 0 HD2 LYS A 78 3.662 2.228 -10.829 1.00 35.34 H new ATOM 0 HD3 LYS A 78 3.563 3.769 -11.658 1.00 35.34 H new ATOM 0 HE2 LYS A 78 4.766 2.150 -13.048 1.00 20.51 H new ATOM 0 HE3 LYS A 78 5.844 3.447 -12.573 1.00 20.51 H new ATOM 0 HZ1 LYS A 78 6.839 1.225 -12.371 1.00 70.14 H new ATOM 0 HZ2 LYS A 78 6.809 2.055 -10.890 1.00 70.14 H new ATOM 0 HZ3 LYS A 78 5.687 0.817 -11.192 1.00 70.14 H new ATOM 1237 N LEU A 79 1.121 4.971 -10.267 1.00 31.44 N ATOM 1238 CA LEU A 79 0.082 4.714 -11.282 1.00 42.35 C ATOM 1239 C LEU A 79 -0.832 5.933 -11.491 1.00 54.25 C ATOM 1240 O LEU A 79 -1.543 6.031 -12.496 1.00 71.22 O ATOM 1241 CB LEU A 79 -0.760 3.495 -10.873 1.00 54.43 C ATOM 1242 CG LEU A 79 0.030 2.191 -10.666 1.00 44.33 C ATOM 1243 CD1 LEU A 79 -0.908 1.038 -10.316 1.00 62.10 C ATOM 1244 CD2 LEU A 79 0.860 1.859 -11.904 1.00 13.22 C ATOM 0 H LEU A 79 0.870 4.671 -9.325 1.00 31.44 H new ATOM 0 HA LEU A 79 0.587 4.513 -12.227 1.00 42.35 H new ATOM 0 HB2 LEU A 79 -1.287 3.732 -9.949 1.00 54.43 H new ATOM 0 HB3 LEU A 79 -1.518 3.324 -11.638 1.00 54.43 H new ATOM 0 HG LEU A 79 0.713 2.337 -9.829 1.00 44.33 H new ATOM 0 HD11 LEU A 79 -0.327 0.127 -10.174 1.00 62.10 H new ATOM 0 HD12 LEU A 79 -1.445 1.272 -9.397 1.00 62.10 H new ATOM 0 HD13 LEU A 79 -1.622 0.891 -11.126 1.00 62.10 H new ATOM 0 HD21 LEU A 79 1.410 0.933 -11.736 1.00 13.22 H new ATOM 0 HD22 LEU A 79 0.200 1.738 -12.763 1.00 13.22 H new ATOM 0 HD23 LEU A 79 1.563 2.669 -12.099 1.00 13.22 H new ATOM 1256 N PHE A 80 -0.819 6.851 -10.529 1.00 43.43 N ATOM 1257 CA PHE A 80 -1.610 8.088 -10.598 1.00 60.32 C ATOM 1258 C PHE A 80 -0.770 9.290 -10.109 1.00 1.11 C ATOM 1259 O PHE A 80 -1.214 10.056 -9.254 1.00 11.13 O ATOM 1260 CB PHE A 80 -2.875 7.948 -9.729 1.00 23.51 C ATOM 1261 CG PHE A 80 -3.647 6.668 -9.959 1.00 71.11 C ATOM 1262 CD1 PHE A 80 -4.549 6.558 -11.008 1.00 44.34 C ATOM 1263 CD2 PHE A 80 -3.465 5.571 -9.125 1.00 23.32 C ATOM 1264 CE1 PHE A 80 -5.248 5.385 -11.221 1.00 72.43 C ATOM 1265 CE2 PHE A 80 -4.164 4.396 -9.333 1.00 73.12 C ATOM 1266 CZ PHE A 80 -5.057 4.304 -10.383 1.00 61.21 C ATOM 0 H PHE A 80 -0.263 6.764 -9.679 1.00 43.43 H new ATOM 0 HA PHE A 80 -1.901 8.261 -11.634 1.00 60.32 H new ATOM 0 HB2 PHE A 80 -2.588 8.002 -8.679 1.00 23.51 H new ATOM 0 HB3 PHE A 80 -3.532 8.795 -9.925 1.00 23.51 H new ATOM 0 HD1 PHE A 80 -4.707 7.400 -11.666 1.00 44.34 H new ATOM 0 HD2 PHE A 80 -2.768 5.637 -8.303 1.00 23.32 H new ATOM 0 HE1 PHE A 80 -5.944 5.314 -12.044 1.00 72.43 H new ATOM 0 HE2 PHE A 80 -4.012 3.552 -8.676 1.00 73.12 H new ATOM 0 HZ PHE A 80 -5.605 3.388 -10.548 1.00 61.21 H new ATOM 1276 N PRO A 81 0.448 9.487 -10.672 1.00 1.31 N ATOM 1277 CA PRO A 81 1.440 10.441 -10.131 1.00 5.15 C ATOM 1278 C PRO A 81 0.898 11.867 -9.944 1.00 54.42 C ATOM 1279 O PRO A 81 1.272 12.558 -8.989 1.00 63.12 O ATOM 1280 CB PRO A 81 2.573 10.426 -11.179 1.00 60.44 C ATOM 1281 CG PRO A 81 1.975 9.798 -12.395 1.00 30.20 C ATOM 1282 CD PRO A 81 0.945 8.828 -11.890 1.00 33.22 C ATOM 0 HA PRO A 81 1.754 10.145 -9.130 1.00 5.15 H new ATOM 0 HB2 PRO A 81 2.927 11.435 -11.391 1.00 60.44 H new ATOM 0 HB3 PRO A 81 3.431 9.856 -10.823 1.00 60.44 H new ATOM 0 HG2 PRO A 81 1.521 10.550 -13.040 1.00 30.20 H new ATOM 0 HG3 PRO A 81 2.736 9.288 -12.986 1.00 30.20 H new ATOM 0 HD2 PRO A 81 0.149 8.668 -12.617 1.00 33.22 H new ATOM 0 HD3 PRO A 81 1.380 7.852 -11.674 1.00 33.22 H new ATOM 1290 N ASP A 82 0.040 12.316 -10.871 1.00 24.55 N ATOM 1291 CA ASP A 82 -0.555 13.660 -10.798 1.00 1.45 C ATOM 1292 C ASP A 82 0.508 14.763 -11.045 1.00 10.24 C ATOM 1293 O ASP A 82 0.207 15.960 -11.037 1.00 64.12 O ATOM 1294 CB ASP A 82 -1.266 13.825 -9.437 1.00 64.04 C ATOM 1295 CG ASP A 82 -1.962 15.160 -9.257 1.00 34.35 C ATOM 1296 OD1 ASP A 82 -2.961 15.414 -9.962 1.00 64.42 O ATOM 1297 OD2 ASP A 82 -1.524 15.952 -8.395 1.00 61.51 O ATOM 0 H ASP A 82 -0.258 11.770 -11.679 1.00 24.55 H new ATOM 0 HA ASP A 82 -1.296 13.773 -11.590 1.00 1.45 H new ATOM 0 HB2 ASP A 82 -2.000 13.027 -9.324 1.00 64.04 H new ATOM 0 HB3 ASP A 82 -0.534 13.699 -8.640 1.00 64.04 H new ATOM 1302 N THR A 83 1.746 14.335 -11.309 1.00 12.23 N ATOM 1303 CA THR A 83 2.872 15.243 -11.576 1.00 55.34 C ATOM 1304 C THR A 83 3.100 15.430 -13.087 1.00 4.21 C ATOM 1305 O THR A 83 2.681 14.597 -13.895 1.00 60.03 O ATOM 1306 CB THR A 83 4.183 14.696 -10.949 1.00 73.13 C ATOM 1307 OG1 THR A 83 4.472 13.388 -11.471 1.00 63.41 O ATOM 1308 CG2 THR A 83 4.080 14.624 -9.429 1.00 1.31 C ATOM 0 H THR A 83 1.999 13.348 -11.344 1.00 12.23 H new ATOM 0 HA THR A 83 2.615 16.203 -11.128 1.00 55.34 H new ATOM 0 HB THR A 83 4.989 15.382 -11.210 1.00 73.13 H new ATOM 0 HG1 THR A 83 5.301 13.052 -11.071 1.00 63.41 H new ATOM 0 HG21 THR A 83 5.013 14.237 -9.019 1.00 1.31 H new ATOM 0 HG22 THR A 83 3.894 15.621 -9.029 1.00 1.31 H new ATOM 0 HG23 THR A 83 3.260 13.962 -9.151 1.00 1.31 H new ATOM 1316 N PRO A 84 3.753 16.534 -13.501 1.00 52.03 N ATOM 1317 CA PRO A 84 4.106 16.757 -14.914 1.00 62.52 C ATOM 1318 C PRO A 84 5.309 15.903 -15.367 1.00 23.21 C ATOM 1319 O PRO A 84 6.410 16.024 -14.830 1.00 72.45 O ATOM 1320 CB PRO A 84 4.447 18.251 -14.951 1.00 20.14 C ATOM 1321 CG PRO A 84 4.953 18.554 -13.579 1.00 74.14 C ATOM 1322 CD PRO A 84 4.179 17.661 -12.640 1.00 35.24 C ATOM 0 HA PRO A 84 3.301 16.472 -15.591 1.00 62.52 H new ATOM 0 HB2 PRO A 84 5.200 18.467 -15.708 1.00 20.14 H new ATOM 0 HB3 PRO A 84 3.570 18.852 -15.192 1.00 20.14 H new ATOM 0 HG2 PRO A 84 6.023 18.361 -13.507 1.00 74.14 H new ATOM 0 HG3 PRO A 84 4.802 19.605 -13.331 1.00 74.14 H new ATOM 0 HD2 PRO A 84 4.798 17.320 -11.810 1.00 35.24 H new ATOM 0 HD3 PRO A 84 3.324 18.180 -12.207 1.00 35.24 H new ATOM 1330 N LEU A 85 5.085 15.033 -16.352 1.00 65.52 N ATOM 1331 CA LEU A 85 6.145 14.162 -16.876 1.00 13.50 C ATOM 1332 C LEU A 85 7.087 14.940 -17.807 1.00 21.32 C ATOM 1333 O LEU A 85 6.675 15.425 -18.864 1.00 73.14 O ATOM 1334 CB LEU A 85 5.545 12.956 -17.626 1.00 42.31 C ATOM 1335 CG LEU A 85 4.758 11.946 -16.762 1.00 70.54 C ATOM 1336 CD1 LEU A 85 3.435 12.536 -16.274 1.00 60.20 C ATOM 1337 CD2 LEU A 85 4.518 10.652 -17.536 1.00 73.13 C ATOM 0 H LEU A 85 4.180 14.910 -16.805 1.00 65.52 H new ATOM 0 HA LEU A 85 6.720 13.795 -16.026 1.00 13.50 H new ATOM 0 HB2 LEU A 85 4.882 13.331 -18.406 1.00 42.31 H new ATOM 0 HB3 LEU A 85 6.355 12.424 -18.125 1.00 42.31 H new ATOM 0 HG LEU A 85 5.362 11.720 -15.883 1.00 70.54 H new ATOM 0 HD11 LEU A 85 2.908 11.798 -15.669 1.00 60.20 H new ATOM 0 HD12 LEU A 85 3.632 13.423 -15.673 1.00 60.20 H new ATOM 0 HD13 LEU A 85 2.820 12.808 -17.132 1.00 60.20 H new ATOM 0 HD21 LEU A 85 3.962 9.952 -16.912 1.00 73.13 H new ATOM 0 HD22 LEU A 85 3.945 10.868 -18.437 1.00 73.13 H new ATOM 0 HD23 LEU A 85 5.475 10.210 -17.812 1.00 73.13 H new ATOM 1349 N ALA A 86 8.350 15.067 -17.408 1.00 11.54 N ATOM 1350 CA ALA A 86 9.341 15.825 -18.184 1.00 54.31 C ATOM 1351 C ALA A 86 10.577 14.976 -18.521 1.00 30.45 C ATOM 1352 O ALA A 86 10.664 13.808 -18.144 1.00 12.31 O ATOM 1353 CB ALA A 86 9.744 17.081 -17.420 1.00 74.32 C ATOM 0 H ALA A 86 8.717 14.655 -16.550 1.00 11.54 H new ATOM 0 HA ALA A 86 8.881 16.110 -19.130 1.00 54.31 H new ATOM 0 HB1 ALA A 86 10.479 17.639 -18.000 1.00 74.32 H new ATOM 0 HB2 ALA A 86 8.865 17.703 -17.253 1.00 74.32 H new ATOM 0 HB3 ALA A 86 10.177 16.800 -16.460 1.00 74.32 H new ATOM 1359 N LEU A 87 11.541 15.582 -19.219 1.00 42.54 N ATOM 1360 CA LEU A 87 12.746 14.872 -19.675 1.00 41.13 C ATOM 1361 C LEU A 87 13.582 14.346 -18.494 1.00 65.13 C ATOM 1362 O LEU A 87 14.127 13.237 -18.544 1.00 50.30 O ATOM 1363 CB LEU A 87 13.602 15.800 -20.554 1.00 24.40 C ATOM 1364 CG LEU A 87 12.880 16.419 -21.766 1.00 50.24 C ATOM 1365 CD1 LEU A 87 13.828 17.313 -22.562 1.00 70.24 C ATOM 1366 CD2 LEU A 87 12.288 15.330 -22.661 1.00 21.32 C ATOM 0 H LEU A 87 11.513 16.567 -19.483 1.00 42.54 H new ATOM 0 HA LEU A 87 12.422 14.011 -20.260 1.00 41.13 H new ATOM 0 HB2 LEU A 87 13.987 16.608 -19.931 1.00 24.40 H new ATOM 0 HB3 LEU A 87 14.463 15.237 -20.915 1.00 24.40 H new ATOM 0 HG LEU A 87 12.062 17.035 -21.393 1.00 50.24 H new ATOM 0 HD11 LEU A 87 13.297 17.740 -23.413 1.00 70.24 H new ATOM 0 HD12 LEU A 87 14.193 18.117 -21.922 1.00 70.24 H new ATOM 0 HD13 LEU A 87 14.671 16.722 -22.919 1.00 70.24 H new ATOM 0 HD21 LEU A 87 11.783 15.791 -23.510 1.00 21.32 H new ATOM 0 HD22 LEU A 87 13.087 14.682 -23.022 1.00 21.32 H new ATOM 0 HD23 LEU A 87 11.571 14.739 -22.090 1.00 21.32 H new ATOM 1378 N ASP A 88 13.681 15.140 -17.430 1.00 54.41 N ATOM 1379 CA ASP A 88 14.450 14.742 -16.248 1.00 44.32 C ATOM 1380 C ASP A 88 13.985 15.475 -14.979 1.00 71.05 C ATOM 1381 O ASP A 88 13.532 16.620 -15.034 1.00 73.22 O ATOM 1382 CB ASP A 88 15.945 14.999 -16.478 1.00 71.20 C ATOM 1383 CG ASP A 88 16.799 14.465 -15.342 1.00 61.14 C ATOM 1384 OD1 ASP A 88 17.080 13.249 -15.333 1.00 13.02 O ATOM 1385 OD2 ASP A 88 17.180 15.248 -14.449 1.00 32.00 O ATOM 0 H ASP A 88 13.242 16.058 -17.360 1.00 54.41 H new ATOM 0 HA ASP A 88 14.279 13.676 -16.095 1.00 44.32 H new ATOM 0 HB2 ASP A 88 16.253 14.531 -17.413 1.00 71.20 H new ATOM 0 HB3 ASP A 88 16.116 16.070 -16.586 1.00 71.20 H new ATOM 1390 N ALA A 89 14.109 14.799 -13.840 1.00 32.11 N ATOM 1391 CA ALA A 89 13.804 15.389 -12.534 1.00 65.04 C ATOM 1392 C ALA A 89 14.713 14.788 -11.452 1.00 11.22 C ATOM 1393 O ALA A 89 14.803 13.566 -11.318 1.00 71.05 O ATOM 1394 CB ALA A 89 12.335 15.179 -12.183 1.00 64.14 C ATOM 0 H ALA A 89 14.423 13.830 -13.793 1.00 32.11 H new ATOM 0 HA ALA A 89 13.992 16.462 -12.584 1.00 65.04 H new ATOM 0 HB1 ALA A 89 12.126 15.624 -11.210 1.00 64.14 H new ATOM 0 HB2 ALA A 89 11.709 15.652 -12.940 1.00 64.14 H new ATOM 0 HB3 ALA A 89 12.118 14.111 -12.148 1.00 64.14 H new ATOM 1400 N ASN A 90 15.389 15.646 -10.692 1.00 74.22 N ATOM 1401 CA ASN A 90 16.350 15.197 -9.678 1.00 50.21 C ATOM 1402 C ASN A 90 15.665 14.435 -8.526 1.00 15.14 C ATOM 1403 O ASN A 90 15.126 15.032 -7.588 1.00 20.10 O ATOM 1404 CB ASN A 90 17.146 16.387 -9.134 1.00 30.54 C ATOM 1405 CG ASN A 90 18.062 16.997 -10.179 1.00 21.23 C ATOM 1406 OD1 ASN A 90 18.555 16.313 -11.069 1.00 53.45 O ATOM 1407 ND2 ASN A 90 18.306 18.285 -10.079 1.00 4.33 N ATOM 0 H ASN A 90 15.291 16.659 -10.757 1.00 74.22 H new ATOM 0 HA ASN A 90 17.034 14.502 -10.164 1.00 50.21 H new ATOM 0 HB2 ASN A 90 16.455 17.148 -8.772 1.00 30.54 H new ATOM 0 HB3 ASN A 90 17.740 16.063 -8.279 1.00 30.54 H new ATOM 0 HD21 ASN A 90 18.920 18.742 -10.753 1.00 4.33 H new ATOM 0 HD22 ASN A 90 17.881 18.828 -9.327 1.00 4.33 H new ATOM 1414 N LYS A 91 15.694 13.109 -8.626 1.00 25.04 N ATOM 1415 CA LYS A 91 15.118 12.209 -7.615 1.00 3.41 C ATOM 1416 C LYS A 91 16.146 11.852 -6.515 1.00 54.45 C ATOM 1417 O LYS A 91 17.043 11.014 -6.770 1.00 38.74 O ATOM 1418 CB LYS A 91 14.582 10.934 -8.303 1.00 41.41 C ATOM 1419 CG LYS A 91 15.513 10.378 -9.383 1.00 60.24 C ATOM 1420 CD LYS A 91 14.974 9.100 -10.018 1.00 61.35 C ATOM 1421 CE LYS A 91 15.834 8.668 -11.199 1.00 74.25 C ATOM 1422 NZ LYS A 91 15.403 7.362 -11.756 1.00 35.20 N ATOM 1423 OXT LYS A 91 16.048 12.407 -5.397 1.00 38.74 O ATOM 0 H LYS A 91 16.119 12.620 -9.413 1.00 25.04 H new ATOM 0 HA LYS A 91 14.293 12.726 -7.124 1.00 3.41 H new ATOM 0 HB2 LYS A 91 14.418 10.166 -7.547 1.00 41.41 H new ATOM 0 HB3 LYS A 91 13.612 11.154 -8.750 1.00 41.41 H new ATOM 0 HG2 LYS A 91 15.657 11.132 -10.157 1.00 60.24 H new ATOM 0 HG3 LYS A 91 16.492 10.178 -8.947 1.00 60.24 H new ATOM 0 HD2 LYS A 91 14.947 8.304 -9.274 1.00 61.35 H new ATOM 0 HD3 LYS A 91 13.948 9.260 -10.351 1.00 61.35 H new ATOM 0 HE2 LYS A 91 15.786 9.428 -11.979 1.00 74.25 H new ATOM 0 HE3 LYS A 91 16.875 8.601 -10.883 1.00 74.25 H new ATOM 0 HZ1 LYS A 91 16.015 7.107 -12.557 1.00 35.20 H new ATOM 0 HZ2 LYS A 91 15.473 6.631 -11.020 1.00 35.20 H new ATOM 0 HZ3 LYS A 91 14.418 7.432 -12.082 1.00 35.20 H new TER 1437 LYS A 91