USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 816 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 64 TYR OH : rot -94:sc= 0.0934 USER MOD Set 1.2: A 68 ASN : amide:sc= -5.48! C(o=-5.4!,f=-3.9!) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 179:sc= 1.99 (180deg=1.1) USER MOD Set 2.2: A 71 TYR OH : rot -15:sc= 0.657 USER MOD Single : A 39 MET CE :methyl 156:sc=-0.00239 (180deg=-0.298) USER MOD Single : A 40 SER OG : rot 53:sc= 0.00748 USER MOD Single : A 44 GLN : amide:sc= -2.08! C(o=-2.1!,f=-5!) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.0196 (180deg=-0.251) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 178:sc= -0.329 (180deg=-0.371) USER MOD Single : A 73 SER OG : rot 174:sc= 0.333 USER MOD Single : A 74 THR OG1 : rot 107:sc= 0.902 USER MOD Single : A 75 GLN : amide:sc= -0.0334 X(o=-0.033,f=-0.051) USER MOD Single : A 76 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.14) USER MOD Single : A 83 LYS NZ :NH3+ 178:sc= 1.15 (180deg=1.14) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 90 GLN : amide:sc= 0.183 K(o=0.18,f=-0.71) USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= -0.0082 (180deg=-0.117) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= 0.781 K(o=0.78,f=-4.6!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 62:sc= -1.2! USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= -0.0199 (180deg=-0.164) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0.563 K(o=0.56,f=-0.55) USER MOD Single : A 112 TYR OH : rot 73:sc= 0.764 USER MOD Single : A 113 GLN : amide:sc= -2.48! C(o=-2.5!,f=-7.6!) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -155:sc= 1.23 USER MOD Single : A 127 SER OG : rot -130:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ -165:sc= 0.781 (180deg=-0.438) USER MOD Single : A 137 SER OG : rot 130:sc= -0.2 USER MOD Single : A 139 ASN : amide:sc= -2.03 X(o=-2,f=-2.4!) USER MOD Single : A 145 ASN : amide:sc= -4.17! C(o=-4.2!,f=-5.3!) USER MOD Single : A 148 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 39 4.753 6.289 0.111 1.00 60.34 N ATOM 2 CA MET A 39 5.704 5.506 -0.674 1.00 32.33 C ATOM 3 C MET A 39 5.009 4.185 -0.987 1.00 54.12 C ATOM 4 O MET A 39 4.596 3.474 -0.074 1.00 71.40 O ATOM 5 CB MET A 39 6.969 5.265 0.175 1.00 74.23 C ATOM 6 CG MET A 39 8.264 5.053 -0.608 1.00 61.33 C ATOM 7 SD MET A 39 8.224 3.691 -1.778 1.00 23.43 S ATOM 8 CE MET A 39 9.920 3.741 -2.372 1.00 11.11 C ATOM 0 HA MET A 39 6.002 6.012 -1.592 1.00 32.33 H new ATOM 0 HB2 MET A 39 7.105 6.117 0.841 1.00 74.23 H new ATOM 0 HB3 MET A 39 6.800 4.392 0.805 1.00 74.23 H new ATOM 0 HG2 MET A 39 8.500 5.970 -1.148 1.00 61.33 H new ATOM 0 HG3 MET A 39 9.076 4.882 0.099 1.00 61.33 H new ATOM 0 HE1 MET A 39 10.200 2.760 -2.755 1.00 11.11 H new ATOM 0 HE2 MET A 39 10.005 4.480 -3.169 1.00 11.11 H new ATOM 0 HE3 MET A 39 10.585 4.014 -1.552 1.00 11.11 H new ATOM 20 N SER A 40 4.840 3.879 -2.243 1.00 54.45 N ATOM 21 CA SER A 40 4.099 2.710 -2.646 1.00 31.23 C ATOM 22 C SER A 40 4.975 1.658 -3.327 1.00 73.31 C ATOM 23 O SER A 40 5.083 1.621 -4.544 1.00 44.23 O ATOM 24 CB SER A 40 2.942 3.141 -3.538 1.00 62.43 C ATOM 25 OG SER A 40 3.386 4.099 -4.505 1.00 53.02 O ATOM 0 H SER A 40 5.210 4.430 -3.017 1.00 54.45 H new ATOM 0 HA SER A 40 3.709 2.226 -1.750 1.00 31.23 H new ATOM 0 HB2 SER A 40 2.522 2.272 -4.044 1.00 62.43 H new ATOM 0 HB3 SER A 40 2.146 3.571 -2.930 1.00 62.43 H new ATOM 0 HG SER A 40 4.163 3.744 -4.985 1.00 53.02 H new ATOM 31 N ARG A 41 5.627 0.849 -2.529 1.00 61.10 N ATOM 32 CA ARG A 41 6.504 -0.233 -2.981 1.00 44.40 C ATOM 33 C ARG A 41 6.512 -1.284 -1.891 1.00 52.42 C ATOM 34 O ARG A 41 6.029 -0.993 -0.806 1.00 54.32 O ATOM 35 CB ARG A 41 7.949 0.286 -3.207 1.00 11.51 C ATOM 36 CG ARG A 41 8.147 1.175 -4.428 1.00 34.13 C ATOM 37 CD ARG A 41 7.832 0.429 -5.709 1.00 75.05 C ATOM 38 NE ARG A 41 8.007 1.263 -6.899 1.00 25.13 N ATOM 39 CZ ARG A 41 7.370 1.068 -8.064 1.00 64.20 C ATOM 40 NH1 ARG A 41 6.390 0.172 -8.157 1.00 43.22 N ATOM 41 NH2 ARG A 41 7.675 1.800 -9.112 1.00 73.24 N ATOM 0 H ARG A 41 5.568 0.917 -1.513 1.00 61.10 H new ATOM 0 HA ARG A 41 6.143 -0.639 -3.926 1.00 44.40 H new ATOM 0 HB2 ARG A 41 8.259 0.841 -2.322 1.00 11.51 H new ATOM 0 HB3 ARG A 41 8.615 -0.573 -3.294 1.00 11.51 H new ATOM 0 HG2 ARG A 41 7.506 2.053 -4.349 1.00 34.13 H new ATOM 0 HG3 ARG A 41 9.176 1.533 -4.457 1.00 34.13 H new ATOM 0 HD2 ARG A 41 8.477 -0.446 -5.784 1.00 75.05 H new ATOM 0 HD3 ARG A 41 6.805 0.066 -5.671 1.00 75.05 H new ATOM 0 HE ARG A 41 8.658 2.046 -6.839 1.00 25.13 H new ATOM 0 HH11 ARG A 41 6.118 -0.373 -7.339 1.00 43.22 H new ATOM 0 HH12 ARG A 41 5.911 0.030 -9.046 1.00 43.22 H new ATOM 0 HH21 ARG A 41 8.397 2.517 -9.040 1.00 73.24 H new ATOM 0 HH22 ARG A 41 7.190 1.651 -9.997 1.00 73.24 H new ATOM 55 N PRO A 42 7.004 -2.524 -2.148 1.00 34.12 N ATOM 56 CA PRO A 42 7.142 -3.555 -1.103 1.00 12.42 C ATOM 57 C PRO A 42 7.848 -2.994 0.132 1.00 73.12 C ATOM 58 O PRO A 42 8.774 -2.175 0.000 1.00 41.01 O ATOM 59 CB PRO A 42 8.013 -4.638 -1.765 1.00 11.50 C ATOM 60 CG PRO A 42 8.450 -4.064 -3.076 1.00 22.24 C ATOM 61 CD PRO A 42 7.417 -3.050 -3.452 1.00 2.23 C ATOM 0 HA PRO A 42 6.177 -3.930 -0.761 1.00 12.42 H new ATOM 0 HB2 PRO A 42 8.872 -4.885 -1.141 1.00 11.50 H new ATOM 0 HB3 PRO A 42 7.449 -5.559 -1.910 1.00 11.50 H new ATOM 0 HG2 PRO A 42 9.434 -3.604 -2.991 1.00 22.24 H new ATOM 0 HG3 PRO A 42 8.527 -4.842 -3.836 1.00 22.24 H new ATOM 0 HD2 PRO A 42 7.828 -2.270 -4.093 1.00 2.23 H new ATOM 0 HD3 PRO A 42 6.583 -3.500 -3.991 1.00 2.23 H new ATOM 69 N ASP A 43 7.357 -3.379 1.323 1.00 2.23 N ATOM 70 CA ASP A 43 7.851 -2.909 2.652 1.00 61.21 C ATOM 71 C ASP A 43 7.330 -1.511 2.935 1.00 20.20 C ATOM 72 O ASP A 43 6.700 -1.243 3.972 1.00 24.11 O ATOM 73 CB ASP A 43 9.398 -2.944 2.784 1.00 53.42 C ATOM 74 CG ASP A 43 9.991 -4.332 2.732 1.00 44.02 C ATOM 75 OD1 ASP A 43 10.187 -4.874 1.613 1.00 21.14 O ATOM 76 OD2 ASP A 43 10.309 -4.898 3.798 1.00 31.04 O ATOM 0 H ASP A 43 6.586 -4.042 1.402 1.00 2.23 H new ATOM 0 HA ASP A 43 7.465 -3.608 3.393 1.00 61.21 H new ATOM 0 HB2 ASP A 43 9.834 -2.344 1.985 1.00 53.42 H new ATOM 0 HB3 ASP A 43 9.682 -2.474 3.726 1.00 53.42 H new ATOM 81 N GLN A 44 7.500 -0.659 1.951 1.00 42.33 N ATOM 82 CA GLN A 44 7.105 0.728 2.001 1.00 4.34 C ATOM 83 C GLN A 44 5.587 0.841 2.020 1.00 32.50 C ATOM 84 O GLN A 44 5.029 1.822 2.501 1.00 3.24 O ATOM 85 CB GLN A 44 7.663 1.451 0.786 1.00 21.31 C ATOM 86 CG GLN A 44 9.168 1.288 0.601 1.00 25.01 C ATOM 87 CD GLN A 44 9.968 1.791 1.779 1.00 73.22 C ATOM 88 OE1 GLN A 44 9.555 2.714 2.478 1.00 71.14 O ATOM 89 NE2 GLN A 44 11.107 1.187 2.010 1.00 75.21 N ATOM 0 H GLN A 44 7.931 -0.922 1.065 1.00 42.33 H new ATOM 0 HA GLN A 44 7.499 1.183 2.910 1.00 4.34 H new ATOM 0 HB2 GLN A 44 7.156 1.084 -0.106 1.00 21.31 H new ATOM 0 HB3 GLN A 44 7.431 2.513 0.870 1.00 21.31 H new ATOM 0 HG2 GLN A 44 9.396 0.235 0.438 1.00 25.01 H new ATOM 0 HG3 GLN A 44 9.478 1.824 -0.296 1.00 25.01 H new ATOM 0 HE21 GLN A 44 11.412 0.425 1.405 1.00 75.21 H new ATOM 0 HE22 GLN A 44 11.689 1.479 2.795 1.00 75.21 H new ATOM 98 N ALA A 45 4.930 -0.188 1.521 1.00 61.13 N ATOM 99 CA ALA A 45 3.488 -0.281 1.503 1.00 22.33 C ATOM 100 C ALA A 45 2.938 -0.355 2.923 1.00 11.40 C ATOM 101 O ALA A 45 1.812 0.058 3.186 1.00 71.23 O ATOM 102 CB ALA A 45 3.047 -1.486 0.699 1.00 0.43 C ATOM 0 H ALA A 45 5.395 -0.997 1.109 1.00 61.13 H new ATOM 0 HA ALA A 45 3.090 0.616 1.028 1.00 22.33 H new ATOM 0 HB1 ALA A 45 1.958 -1.542 0.695 1.00 0.43 H new ATOM 0 HB2 ALA A 45 3.409 -1.393 -0.325 1.00 0.43 H new ATOM 0 HB3 ALA A 45 3.455 -2.392 1.147 1.00 0.43 H new ATOM 108 N LYS A 46 3.748 -0.854 3.837 1.00 72.03 N ATOM 109 CA LYS A 46 3.363 -0.909 5.226 1.00 33.03 C ATOM 110 C LYS A 46 3.692 0.412 5.892 1.00 64.35 C ATOM 111 O LYS A 46 3.040 0.822 6.835 1.00 4.00 O ATOM 112 CB LYS A 46 4.076 -2.055 5.935 1.00 44.44 C ATOM 113 CG LYS A 46 3.658 -3.433 5.459 1.00 1.14 C ATOM 114 CD LYS A 46 4.434 -4.517 6.182 1.00 12.41 C ATOM 115 CE LYS A 46 3.972 -5.906 5.784 1.00 5.33 C ATOM 116 NZ LYS A 46 2.556 -6.149 6.128 1.00 12.24 N ATOM 0 H LYS A 46 4.677 -1.226 3.638 1.00 72.03 H new ATOM 0 HA LYS A 46 2.290 -1.087 5.292 1.00 33.03 H new ATOM 0 HB2 LYS A 46 5.151 -1.944 5.792 1.00 44.44 H new ATOM 0 HB3 LYS A 46 3.887 -1.979 7.006 1.00 44.44 H new ATOM 0 HG2 LYS A 46 2.590 -3.571 5.628 1.00 1.14 H new ATOM 0 HG3 LYS A 46 3.824 -3.517 4.385 1.00 1.14 H new ATOM 0 HD2 LYS A 46 5.496 -4.411 5.962 1.00 12.41 H new ATOM 0 HD3 LYS A 46 4.317 -4.390 7.258 1.00 12.41 H new ATOM 0 HE2 LYS A 46 4.110 -6.038 4.711 1.00 5.33 H new ATOM 0 HE3 LYS A 46 4.596 -6.649 6.280 1.00 5.33 H new ATOM 0 HZ1 LYS A 46 2.356 -7.168 6.076 1.00 12.24 H new ATOM 0 HZ2 LYS A 46 2.370 -5.808 7.093 1.00 12.24 H new ATOM 0 HZ3 LYS A 46 1.944 -5.642 5.457 1.00 12.24 H new ATOM 130 N VAL A 47 4.646 1.117 5.321 1.00 23.12 N ATOM 131 CA VAL A 47 5.049 2.413 5.841 1.00 34.45 C ATOM 132 C VAL A 47 3.976 3.442 5.494 1.00 13.33 C ATOM 133 O VAL A 47 3.584 4.270 6.318 1.00 3.30 O ATOM 134 CB VAL A 47 6.401 2.880 5.227 1.00 42.15 C ATOM 135 CG1 VAL A 47 6.848 4.200 5.832 1.00 53.01 C ATOM 136 CG2 VAL A 47 7.477 1.832 5.410 1.00 3.23 C ATOM 0 H VAL A 47 5.160 0.816 4.493 1.00 23.12 H new ATOM 0 HA VAL A 47 5.172 2.322 6.920 1.00 34.45 H new ATOM 0 HB VAL A 47 6.241 3.025 4.159 1.00 42.15 H new ATOM 0 HG11 VAL A 47 7.795 4.503 5.385 1.00 53.01 H new ATOM 0 HG12 VAL A 47 6.094 4.963 5.637 1.00 53.01 H new ATOM 0 HG13 VAL A 47 6.976 4.082 6.908 1.00 53.01 H new ATOM 0 HG21 VAL A 47 8.409 2.187 4.971 1.00 3.23 H new ATOM 0 HG22 VAL A 47 7.625 1.644 6.473 1.00 3.23 H new ATOM 0 HG23 VAL A 47 7.173 0.908 4.918 1.00 3.23 H new ATOM 146 N THR A 48 3.481 3.356 4.275 1.00 63.14 N ATOM 147 CA THR A 48 2.509 4.294 3.775 1.00 41.33 C ATOM 148 C THR A 48 1.147 4.168 4.492 1.00 34.11 C ATOM 149 O THR A 48 0.386 5.148 4.561 1.00 30.52 O ATOM 150 CB THR A 48 2.363 4.215 2.218 1.00 73.43 C ATOM 151 OG1 THR A 48 1.555 5.291 1.727 1.00 41.31 O ATOM 152 CG2 THR A 48 1.762 2.899 1.777 1.00 31.43 C ATOM 0 H THR A 48 3.745 2.632 3.607 1.00 63.14 H new ATOM 0 HA THR A 48 2.890 5.288 4.007 1.00 41.33 H new ATOM 0 HB THR A 48 3.367 4.294 1.802 1.00 73.43 H new ATOM 0 HG1 THR A 48 1.478 5.224 0.752 1.00 41.31 H new ATOM 0 HG21 THR A 48 1.677 2.884 0.690 1.00 31.43 H new ATOM 0 HG22 THR A 48 2.402 2.079 2.103 1.00 31.43 H new ATOM 0 HG23 THR A 48 0.773 2.784 2.220 1.00 31.43 H new ATOM 160 N VAL A 49 0.833 2.991 5.032 1.00 73.12 N ATOM 161 CA VAL A 49 -0.405 2.852 5.782 1.00 43.53 C ATOM 162 C VAL A 49 -0.208 3.384 7.181 1.00 74.41 C ATOM 163 O VAL A 49 -1.050 4.110 7.696 1.00 70.12 O ATOM 164 CB VAL A 49 -0.983 1.398 5.807 1.00 23.12 C ATOM 165 CG1 VAL A 49 -1.242 0.901 4.400 1.00 63.34 C ATOM 166 CG2 VAL A 49 -0.091 0.421 6.569 1.00 12.42 C ATOM 0 H VAL A 49 1.401 2.147 4.966 1.00 73.12 H new ATOM 0 HA VAL A 49 -1.157 3.442 5.258 1.00 43.53 H new ATOM 0 HB VAL A 49 -1.929 1.445 6.346 1.00 23.12 H new ATOM 0 HG11 VAL A 49 -1.644 -0.112 4.440 1.00 63.34 H new ATOM 0 HG12 VAL A 49 -1.961 1.557 3.909 1.00 63.34 H new ATOM 0 HG13 VAL A 49 -0.309 0.899 3.837 1.00 63.34 H new ATOM 0 HG21 VAL A 49 -0.542 -0.571 6.553 1.00 12.42 H new ATOM 0 HG22 VAL A 49 0.891 0.381 6.097 1.00 12.42 H new ATOM 0 HG23 VAL A 49 0.016 0.755 7.601 1.00 12.42 H new ATOM 176 N ALA A 50 0.979 3.127 7.717 1.00 11.15 N ATOM 177 CA ALA A 50 1.366 3.507 9.056 1.00 32.11 C ATOM 178 C ALA A 50 1.273 5.008 9.257 1.00 63.24 C ATOM 179 O ALA A 50 0.900 5.481 10.326 1.00 51.01 O ATOM 180 CB ALA A 50 2.771 3.048 9.298 1.00 32.04 C ATOM 0 H ALA A 50 1.715 2.634 7.211 1.00 11.15 H new ATOM 0 HA ALA A 50 0.684 3.037 9.765 1.00 32.11 H new ATOM 0 HB1 ALA A 50 3.077 3.328 10.306 1.00 32.04 H new ATOM 0 HB2 ALA A 50 2.823 1.965 9.191 1.00 32.04 H new ATOM 0 HB3 ALA A 50 3.437 3.517 8.573 1.00 32.04 H new ATOM 186 N LYS A 51 1.560 5.760 8.197 1.00 24.02 N ATOM 187 CA LYS A 51 1.502 7.217 8.256 1.00 44.41 C ATOM 188 C LYS A 51 0.040 7.687 8.489 1.00 2.31 C ATOM 189 O LYS A 51 -0.222 8.718 9.132 1.00 55.12 O ATOM 190 CB LYS A 51 2.027 7.817 6.939 1.00 51.21 C ATOM 191 CG LYS A 51 3.484 7.493 6.590 1.00 12.34 C ATOM 192 CD LYS A 51 4.483 8.219 7.488 1.00 24.43 C ATOM 193 CE LYS A 51 5.920 7.890 7.084 1.00 14.43 C ATOM 194 NZ LYS A 51 6.926 8.675 7.842 1.00 73.04 N ATOM 0 H LYS A 51 1.834 5.385 7.289 1.00 24.02 H new ATOM 0 HA LYS A 51 2.124 7.557 9.084 1.00 44.41 H new ATOM 0 HB2 LYS A 51 1.392 7.468 6.125 1.00 51.21 H new ATOM 0 HB3 LYS A 51 1.917 8.900 6.987 1.00 51.21 H new ATOM 0 HG2 LYS A 51 3.642 6.418 6.673 1.00 12.34 H new ATOM 0 HG3 LYS A 51 3.673 7.764 5.551 1.00 12.34 H new ATOM 0 HD2 LYS A 51 4.320 9.295 7.424 1.00 24.43 H new ATOM 0 HD3 LYS A 51 4.319 7.933 8.527 1.00 24.43 H new ATOM 0 HE2 LYS A 51 6.102 6.827 7.241 1.00 14.43 H new ATOM 0 HE3 LYS A 51 6.045 8.081 6.018 1.00 14.43 H new ATOM 0 HZ1 LYS A 51 7.881 8.411 7.527 1.00 73.04 H new ATOM 0 HZ2 LYS A 51 6.774 9.690 7.673 1.00 73.04 H new ATOM 0 HZ3 LYS A 51 6.829 8.475 8.858 1.00 73.04 H new ATOM 208 N GLY A 52 -0.894 6.868 8.073 1.00 24.25 N ATOM 209 CA GLY A 52 -2.277 7.191 8.240 1.00 71.20 C ATOM 210 C GLY A 52 -2.770 6.702 9.566 1.00 45.33 C ATOM 211 O GLY A 52 -3.605 7.339 10.208 1.00 5.44 O ATOM 0 H GLY A 52 -0.715 5.974 7.617 1.00 24.25 H new ATOM 0 HA2 GLY A 52 -2.416 8.270 8.168 1.00 71.20 H new ATOM 0 HA3 GLY A 52 -2.862 6.740 7.438 1.00 71.20 H new ATOM 215 N ASP A 53 -2.226 5.594 10.002 1.00 40.22 N ATOM 216 CA ASP A 53 -2.621 4.984 11.256 1.00 15.41 C ATOM 217 C ASP A 53 -2.128 5.778 12.444 1.00 61.21 C ATOM 218 O ASP A 53 -2.818 5.899 13.456 1.00 14.32 O ATOM 219 CB ASP A 53 -2.238 3.518 11.304 1.00 34.13 C ATOM 220 CG ASP A 53 -3.028 2.702 10.295 1.00 33.32 C ATOM 221 OD1 ASP A 53 -4.254 2.486 10.491 1.00 14.22 O ATOM 222 OD2 ASP A 53 -2.469 2.292 9.277 1.00 1.42 O ATOM 0 H ASP A 53 -1.497 5.086 9.501 1.00 40.22 H new ATOM 0 HA ASP A 53 -3.709 5.011 11.317 1.00 15.41 H new ATOM 0 HB2 ASP A 53 -1.172 3.413 11.103 1.00 34.13 H new ATOM 0 HB3 ASP A 53 -2.414 3.128 12.306 1.00 34.13 H new ATOM 227 N ILE A 54 -0.968 6.388 12.306 1.00 12.13 N ATOM 228 CA ILE A 54 -0.478 7.299 13.331 1.00 13.41 C ATOM 229 C ILE A 54 -1.350 8.559 13.383 1.00 54.34 C ATOM 230 O ILE A 54 -1.608 9.093 14.459 1.00 22.01 O ATOM 231 CB ILE A 54 1.010 7.669 13.145 1.00 10.11 C ATOM 232 CG1 ILE A 54 1.236 8.255 11.747 1.00 42.31 C ATOM 233 CG2 ILE A 54 1.887 6.452 13.406 1.00 51.32 C ATOM 234 CD1 ILE A 54 2.664 8.518 11.370 1.00 52.52 C ATOM 0 H ILE A 54 -0.349 6.274 11.503 1.00 12.13 H new ATOM 0 HA ILE A 54 -0.548 6.774 14.284 1.00 13.41 H new ATOM 0 HB ILE A 54 1.290 8.435 13.869 1.00 10.11 H new ATOM 0 HG12 ILE A 54 0.807 7.572 11.014 1.00 42.31 H new ATOM 0 HG13 ILE A 54 0.682 9.191 11.673 1.00 42.31 H new ATOM 0 HG21 ILE A 54 2.934 6.723 13.272 1.00 51.32 H new ATOM 0 HG22 ILE A 54 1.730 6.102 14.426 1.00 51.32 H new ATOM 0 HG23 ILE A 54 1.625 5.658 12.706 1.00 51.32 H new ATOM 0 HD11 ILE A 54 2.704 8.931 10.362 1.00 52.52 H new ATOM 0 HD12 ILE A 54 3.100 9.229 12.071 1.00 52.52 H new ATOM 0 HD13 ILE A 54 3.227 7.585 11.402 1.00 52.52 H new ATOM 246 N LYS A 55 -1.864 8.995 12.211 1.00 42.03 N ATOM 247 CA LYS A 55 -2.797 10.141 12.171 1.00 31.40 C ATOM 248 C LYS A 55 -4.112 9.797 12.880 1.00 15.12 C ATOM 249 O LYS A 55 -4.778 10.672 13.447 1.00 3.11 O ATOM 250 CB LYS A 55 -3.085 10.595 10.737 1.00 14.02 C ATOM 251 CG LYS A 55 -2.266 11.791 10.248 1.00 52.00 C ATOM 252 CD LYS A 55 -0.767 11.546 10.261 1.00 11.13 C ATOM 253 CE LYS A 55 -0.030 12.752 9.711 1.00 10.53 C ATOM 254 NZ LYS A 55 1.422 12.549 9.651 1.00 4.40 N ATOM 0 H LYS A 55 -1.655 8.582 11.302 1.00 42.03 H new ATOM 0 HA LYS A 55 -2.311 10.965 12.694 1.00 31.40 H new ATOM 0 HB2 LYS A 55 -2.906 9.755 10.066 1.00 14.02 H new ATOM 0 HB3 LYS A 55 -4.143 10.845 10.659 1.00 14.02 H new ATOM 0 HG2 LYS A 55 -2.576 12.043 9.234 1.00 52.00 H new ATOM 0 HG3 LYS A 55 -2.490 12.655 10.874 1.00 52.00 H new ATOM 0 HD2 LYS A 55 -0.434 11.341 11.279 1.00 11.13 H new ATOM 0 HD3 LYS A 55 -0.531 10.664 9.665 1.00 11.13 H new ATOM 0 HE2 LYS A 55 -0.403 12.976 8.712 1.00 10.53 H new ATOM 0 HE3 LYS A 55 -0.246 13.620 10.334 1.00 10.53 H new ATOM 0 HZ1 LYS A 55 1.876 13.403 9.268 1.00 4.40 H new ATOM 0 HZ2 LYS A 55 1.786 12.362 10.607 1.00 4.40 H new ATOM 0 HZ3 LYS A 55 1.634 11.738 9.035 1.00 4.40 H new ATOM 268 N ALA A 56 -4.465 8.520 12.845 1.00 4.31 N ATOM 269 CA ALA A 56 -5.656 8.007 13.512 1.00 22.34 C ATOM 270 C ALA A 56 -5.510 8.147 15.015 1.00 22.55 C ATOM 271 O ALA A 56 -6.452 8.515 15.722 1.00 44.44 O ATOM 272 CB ALA A 56 -5.851 6.545 13.162 1.00 32.31 C ATOM 0 H ALA A 56 -3.931 7.805 12.350 1.00 4.31 H new ATOM 0 HA ALA A 56 -6.521 8.581 13.178 1.00 22.34 H new ATOM 0 HB1 ALA A 56 -6.742 6.167 13.663 1.00 32.31 H new ATOM 0 HB2 ALA A 56 -5.970 6.442 12.083 1.00 32.31 H new ATOM 0 HB3 ALA A 56 -4.982 5.974 13.488 1.00 32.31 H new ATOM 278 N ILE A 57 -4.318 7.868 15.489 1.00 64.31 N ATOM 279 CA ILE A 57 -4.009 7.943 16.902 1.00 13.12 C ATOM 280 C ILE A 57 -4.063 9.382 17.386 1.00 73.41 C ATOM 281 O ILE A 57 -4.493 9.640 18.485 1.00 51.20 O ATOM 282 CB ILE A 57 -2.638 7.320 17.206 1.00 72.54 C ATOM 283 CG1 ILE A 57 -2.628 5.886 16.699 1.00 44.02 C ATOM 284 CG2 ILE A 57 -2.357 7.354 18.710 1.00 51.32 C ATOM 285 CD1 ILE A 57 -1.295 5.210 16.791 1.00 11.24 C ATOM 0 H ILE A 57 -3.532 7.582 14.906 1.00 64.31 H new ATOM 0 HA ILE A 57 -4.763 7.369 17.440 1.00 13.12 H new ATOM 0 HB ILE A 57 -1.858 7.892 16.704 1.00 72.54 H new ATOM 0 HG12 ILE A 57 -3.356 5.307 17.267 1.00 44.02 H new ATOM 0 HG13 ILE A 57 -2.956 5.878 15.659 1.00 44.02 H new ATOM 0 HG21 ILE A 57 -1.382 6.909 18.908 1.00 51.32 H new ATOM 0 HG22 ILE A 57 -2.362 8.387 19.058 1.00 51.32 H new ATOM 0 HG23 ILE A 57 -3.127 6.790 19.237 1.00 51.32 H new ATOM 0 HD11 ILE A 57 -1.376 4.192 16.409 1.00 11.24 H new ATOM 0 HD12 ILE A 57 -0.565 5.763 16.199 1.00 11.24 H new ATOM 0 HD13 ILE A 57 -0.972 5.182 17.832 1.00 11.24 H new ATOM 297 N ALA A 58 -3.675 10.319 16.535 1.00 0.22 N ATOM 298 CA ALA A 58 -3.754 11.740 16.875 1.00 63.43 C ATOM 299 C ALA A 58 -5.199 12.137 17.179 1.00 1.32 C ATOM 300 O ALA A 58 -5.462 12.913 18.096 1.00 63.45 O ATOM 301 CB ALA A 58 -3.205 12.589 15.753 1.00 25.11 C ATOM 0 H ALA A 58 -3.303 10.127 15.605 1.00 0.22 H new ATOM 0 HA ALA A 58 -3.149 11.911 17.765 1.00 63.43 H new ATOM 0 HB1 ALA A 58 -3.273 13.642 16.027 1.00 25.11 H new ATOM 0 HB2 ALA A 58 -2.162 12.327 15.575 1.00 25.11 H new ATOM 0 HB3 ALA A 58 -3.783 12.412 14.846 1.00 25.11 H new ATOM 307 N ALA A 59 -6.132 11.532 16.456 1.00 23.32 N ATOM 308 CA ALA A 59 -7.541 11.814 16.643 1.00 51.20 C ATOM 309 C ALA A 59 -8.034 11.169 17.942 1.00 30.31 C ATOM 310 O ALA A 59 -8.912 11.701 18.630 1.00 2.02 O ATOM 311 CB ALA A 59 -8.344 11.315 15.449 1.00 20.33 C ATOM 0 H ALA A 59 -5.933 10.841 15.733 1.00 23.32 H new ATOM 0 HA ALA A 59 -7.682 12.892 16.717 1.00 51.20 H new ATOM 0 HB1 ALA A 59 -9.400 11.534 15.604 1.00 20.33 H new ATOM 0 HB2 ALA A 59 -7.999 11.815 14.544 1.00 20.33 H new ATOM 0 HB3 ALA A 59 -8.208 10.239 15.343 1.00 20.33 H new ATOM 317 N ALA A 60 -7.440 10.042 18.285 1.00 64.23 N ATOM 318 CA ALA A 60 -7.783 9.332 19.502 1.00 52.34 C ATOM 319 C ALA A 60 -7.121 9.985 20.708 1.00 52.51 C ATOM 320 O ALA A 60 -7.657 9.958 21.811 1.00 5.15 O ATOM 321 CB ALA A 60 -7.381 7.882 19.395 1.00 4.30 C ATOM 0 H ALA A 60 -6.710 9.595 17.731 1.00 64.23 H new ATOM 0 HA ALA A 60 -8.863 9.381 19.638 1.00 52.34 H new ATOM 0 HB1 ALA A 60 -7.645 7.362 20.316 1.00 4.30 H new ATOM 0 HB2 ALA A 60 -7.902 7.421 18.556 1.00 4.30 H new ATOM 0 HB3 ALA A 60 -6.305 7.814 19.235 1.00 4.30 H new ATOM 327 N LEU A 61 -5.993 10.615 20.489 1.00 43.10 N ATOM 328 CA LEU A 61 -5.293 11.327 21.529 1.00 75.43 C ATOM 329 C LEU A 61 -6.143 12.554 21.897 1.00 31.23 C ATOM 330 O LEU A 61 -6.229 12.945 23.065 1.00 51.51 O ATOM 331 CB LEU A 61 -3.884 11.693 20.998 1.00 12.41 C ATOM 332 CG LEU A 61 -2.754 11.947 22.018 1.00 51.14 C ATOM 333 CD1 LEU A 61 -2.949 13.221 22.773 1.00 21.32 C ATOM 334 CD2 LEU A 61 -2.637 10.797 22.994 1.00 23.21 C ATOM 0 H LEU A 61 -5.533 10.648 19.579 1.00 43.10 H new ATOM 0 HA LEU A 61 -5.151 10.735 22.433 1.00 75.43 H new ATOM 0 HB2 LEU A 61 -3.560 10.889 20.338 1.00 12.41 H new ATOM 0 HB3 LEU A 61 -3.984 12.588 20.384 1.00 12.41 H new ATOM 0 HG LEU A 61 -1.832 12.031 21.443 1.00 51.14 H new ATOM 0 HD11 LEU A 61 -2.129 13.355 23.478 1.00 21.32 H new ATOM 0 HD12 LEU A 61 -2.968 14.058 22.075 1.00 21.32 H new ATOM 0 HD13 LEU A 61 -3.892 13.181 23.317 1.00 21.32 H new ATOM 0 HD21 LEU A 61 -1.834 11.001 23.702 1.00 23.21 H new ATOM 0 HD22 LEU A 61 -3.576 10.682 23.535 1.00 23.21 H new ATOM 0 HD23 LEU A 61 -2.417 9.879 22.450 1.00 23.21 H new ATOM 346 N ASP A 62 -6.869 13.078 20.901 1.00 70.11 N ATOM 347 CA ASP A 62 -7.856 14.135 21.139 1.00 34.12 C ATOM 348 C ASP A 62 -9.081 13.567 21.841 1.00 24.44 C ATOM 349 O ASP A 62 -9.882 14.301 22.426 1.00 22.35 O ATOM 350 CB ASP A 62 -8.303 14.852 19.852 1.00 52.03 C ATOM 351 CG ASP A 62 -7.411 15.994 19.430 1.00 1.40 C ATOM 352 OD1 ASP A 62 -7.652 17.148 19.865 1.00 32.24 O ATOM 353 OD2 ASP A 62 -6.495 15.785 18.637 1.00 3.45 O ATOM 0 H ASP A 62 -6.791 12.787 19.926 1.00 70.11 H new ATOM 0 HA ASP A 62 -7.361 14.873 21.770 1.00 34.12 H new ATOM 0 HB2 ASP A 62 -8.347 14.124 19.042 1.00 52.03 H new ATOM 0 HB3 ASP A 62 -9.315 15.232 19.995 1.00 52.03 H new ATOM 358 N MET A 63 -9.243 12.266 21.785 1.00 41.02 N ATOM 359 CA MET A 63 -10.357 11.634 22.447 1.00 34.11 C ATOM 360 C MET A 63 -10.062 11.370 23.902 1.00 31.23 C ATOM 361 O MET A 63 -10.957 11.396 24.704 1.00 74.11 O ATOM 362 CB MET A 63 -10.887 10.385 21.741 1.00 45.52 C ATOM 363 CG MET A 63 -11.604 10.662 20.433 1.00 31.53 C ATOM 364 SD MET A 63 -12.568 9.247 19.848 1.00 70.54 S ATOM 365 CE MET A 63 -11.294 8.020 19.577 1.00 44.13 C ATOM 0 H MET A 63 -8.620 11.628 21.290 1.00 41.02 H new ATOM 0 HA MET A 63 -11.170 12.358 22.389 1.00 34.11 H new ATOM 0 HB2 MET A 63 -10.053 9.710 21.548 1.00 45.52 H new ATOM 0 HB3 MET A 63 -11.570 9.865 22.413 1.00 45.52 H new ATOM 0 HG2 MET A 63 -12.266 11.519 20.561 1.00 31.53 H new ATOM 0 HG3 MET A 63 -10.872 10.936 19.673 1.00 31.53 H new ATOM 0 HE1 MET A 63 -11.752 7.087 19.249 1.00 44.13 H new ATOM 0 HE2 MET A 63 -10.604 8.375 18.811 1.00 44.13 H new ATOM 0 HE3 MET A 63 -10.749 7.850 20.506 1.00 44.13 H new ATOM 375 N TYR A 64 -8.807 11.120 24.244 1.00 10.03 N ATOM 376 CA TYR A 64 -8.427 11.037 25.657 1.00 22.24 C ATOM 377 C TYR A 64 -8.477 12.449 26.216 1.00 3.13 C ATOM 378 O TYR A 64 -8.876 12.677 27.348 1.00 43.25 O ATOM 379 CB TYR A 64 -7.029 10.489 25.821 1.00 54.24 C ATOM 380 CG TYR A 64 -6.639 10.347 27.271 1.00 0.11 C ATOM 381 CD1 TYR A 64 -6.990 9.229 27.998 1.00 13.41 C ATOM 382 CD2 TYR A 64 -5.923 11.332 27.917 1.00 72.42 C ATOM 383 CE1 TYR A 64 -6.642 9.092 29.278 1.00 23.33 C ATOM 384 CE2 TYR A 64 -5.566 11.195 29.219 1.00 72.15 C ATOM 385 CZ TYR A 64 -5.922 10.071 29.893 1.00 32.33 C ATOM 386 OH TYR A 64 -5.563 9.919 31.180 1.00 24.11 O ATOM 0 H TYR A 64 -8.044 10.973 23.583 1.00 10.03 H new ATOM 0 HA TYR A 64 -9.108 10.367 26.181 1.00 22.24 H new ATOM 0 HB2 TYR A 64 -6.962 9.517 25.332 1.00 54.24 H new ATOM 0 HB3 TYR A 64 -6.321 11.148 25.319 1.00 54.24 H new ATOM 0 HD1 TYR A 64 -7.560 8.446 27.520 1.00 13.41 H new ATOM 0 HD2 TYR A 64 -5.642 12.225 27.379 1.00 72.42 H new ATOM 0 HE1 TYR A 64 -6.930 8.207 29.826 1.00 23.33 H new ATOM 0 HE2 TYR A 64 -5.004 11.973 29.715 1.00 72.15 H new ATOM 0 HH TYR A 64 -6.227 10.349 31.758 1.00 24.11 H new ATOM 396 N LYS A 65 -8.066 13.398 25.373 1.00 75.25 N ATOM 397 CA LYS A 65 -8.191 14.824 25.634 1.00 32.31 C ATOM 398 C LYS A 65 -9.656 15.165 25.941 1.00 64.21 C ATOM 399 O LYS A 65 -9.957 16.076 26.690 1.00 71.13 O ATOM 400 CB LYS A 65 -7.734 15.530 24.377 1.00 73.31 C ATOM 401 CG LYS A 65 -7.875 17.028 24.306 1.00 44.34 C ATOM 402 CD LYS A 65 -7.358 17.457 22.954 1.00 25.12 C ATOM 403 CE LYS A 65 -7.386 18.940 22.705 1.00 63.41 C ATOM 404 NZ LYS A 65 -6.755 19.237 21.398 1.00 63.22 N ATOM 0 H LYS A 65 -7.630 13.188 24.475 1.00 75.25 H new ATOM 0 HA LYS A 65 -7.592 15.132 26.491 1.00 32.31 H new ATOM 0 HB2 LYS A 65 -6.682 15.288 24.224 1.00 73.31 H new ATOM 0 HB3 LYS A 65 -8.285 15.104 23.538 1.00 73.31 H new ATOM 0 HG2 LYS A 65 -8.917 17.324 24.432 1.00 44.34 H new ATOM 0 HG3 LYS A 65 -7.309 17.507 25.105 1.00 44.34 H new ATOM 0 HD2 LYS A 65 -6.332 17.105 22.845 1.00 25.12 H new ATOM 0 HD3 LYS A 65 -7.948 16.963 22.182 1.00 25.12 H new ATOM 0 HE2 LYS A 65 -8.414 19.301 22.714 1.00 63.41 H new ATOM 0 HE3 LYS A 65 -6.858 19.463 23.502 1.00 63.41 H new ATOM 0 HZ1 LYS A 65 -6.791 20.261 21.220 1.00 63.22 H new ATOM 0 HZ2 LYS A 65 -5.764 18.922 21.411 1.00 63.22 H new ATOM 0 HZ3 LYS A 65 -7.267 18.737 20.644 1.00 63.22 H new ATOM 418 N LEU A 66 -10.547 14.419 25.336 1.00 40.03 N ATOM 419 CA LEU A 66 -11.961 14.555 25.567 1.00 1.01 C ATOM 420 C LEU A 66 -12.384 13.763 26.830 1.00 52.34 C ATOM 421 O LEU A 66 -13.233 14.221 27.593 1.00 42.21 O ATOM 422 CB LEU A 66 -12.729 14.051 24.330 1.00 55.11 C ATOM 423 CG LEU A 66 -14.253 14.202 24.336 1.00 1.31 C ATOM 424 CD1 LEU A 66 -14.654 15.670 24.355 1.00 30.32 C ATOM 425 CD2 LEU A 66 -14.854 13.505 23.130 1.00 73.45 C ATOM 0 H LEU A 66 -10.306 13.692 24.662 1.00 40.03 H new ATOM 0 HA LEU A 66 -12.199 15.606 25.734 1.00 1.01 H new ATOM 0 HB2 LEU A 66 -12.342 14.576 23.457 1.00 55.11 H new ATOM 0 HB3 LEU A 66 -12.496 12.995 24.196 1.00 55.11 H new ATOM 0 HG LEU A 66 -14.639 13.734 25.241 1.00 1.31 H new ATOM 0 HD11 LEU A 66 -15.741 15.750 24.359 1.00 30.32 H new ATOM 0 HD12 LEU A 66 -14.252 16.145 25.250 1.00 30.32 H new ATOM 0 HD13 LEU A 66 -14.257 16.167 23.470 1.00 30.32 H new ATOM 0 HD21 LEU A 66 -15.938 13.620 23.146 1.00 73.45 H new ATOM 0 HD22 LEU A 66 -14.456 13.949 22.217 1.00 73.45 H new ATOM 0 HD23 LEU A 66 -14.601 12.445 23.159 1.00 73.45 H new ATOM 437 N ASP A 67 -11.745 12.607 27.066 1.00 42.00 N ATOM 438 CA ASP A 67 -12.133 11.708 28.179 1.00 54.03 C ATOM 439 C ASP A 67 -11.604 12.199 29.532 1.00 31.43 C ATOM 440 O ASP A 67 -12.229 11.990 30.555 1.00 44.44 O ATOM 441 CB ASP A 67 -11.555 10.299 27.897 1.00 11.34 C ATOM 442 CG ASP A 67 -11.822 9.265 28.995 1.00 65.40 C ATOM 443 OD1 ASP A 67 -12.921 8.673 29.029 1.00 34.23 O ATOM 444 OD2 ASP A 67 -10.919 9.024 29.823 1.00 34.01 O ATOM 0 H ASP A 67 -10.961 12.269 26.508 1.00 42.00 H new ATOM 0 HA ASP A 67 -13.221 11.689 28.235 1.00 54.03 H new ATOM 0 HB2 ASP A 67 -11.974 9.930 26.961 1.00 11.34 H new ATOM 0 HB3 ASP A 67 -10.478 10.385 27.753 1.00 11.34 H new ATOM 449 N ASN A 68 -10.521 12.959 29.529 1.00 3.14 N ATOM 450 CA ASN A 68 -10.001 13.554 30.780 1.00 21.32 C ATOM 451 C ASN A 68 -9.850 15.001 30.645 1.00 23.53 C ATOM 452 O ASN A 68 -9.096 15.601 31.409 1.00 55.34 O ATOM 453 CB ASN A 68 -8.650 13.017 31.258 1.00 14.23 C ATOM 454 CG ASN A 68 -8.612 11.604 31.809 1.00 21.21 C ATOM 455 OD1 ASN A 68 -7.888 11.338 32.774 1.00 15.42 O ATOM 456 ND2 ASN A 68 -9.294 10.697 31.208 1.00 35.44 N ATOM 0 H ASN A 68 -9.981 13.185 28.694 1.00 3.14 H new ATOM 0 HA ASN A 68 -10.751 13.273 31.519 1.00 21.32 H new ATOM 0 HB2 ASN A 68 -7.952 13.071 30.422 1.00 14.23 H new ATOM 0 HB3 ASN A 68 -8.275 13.689 32.030 1.00 14.23 H new ATOM 0 HD21 ASN A 68 -9.246 9.729 31.525 1.00 35.44 H new ATOM 0 HD22 ASN A 68 -9.884 10.945 30.414 1.00 35.44 H new ATOM 463 N PHE A 69 -10.592 15.582 29.695 1.00 22.34 N ATOM 464 CA PHE A 69 -10.648 17.043 29.437 1.00 63.31 C ATOM 465 C PHE A 69 -9.281 17.726 29.472 1.00 53.10 C ATOM 466 O PHE A 69 -9.175 18.920 29.806 1.00 34.04 O ATOM 467 CB PHE A 69 -11.649 17.717 30.395 1.00 30.35 C ATOM 468 CG PHE A 69 -11.511 17.327 31.841 1.00 42.51 C ATOM 469 CD1 PHE A 69 -10.569 17.890 32.632 1.00 12.51 C ATOM 470 CD2 PHE A 69 -12.337 16.399 32.373 1.00 60.13 C ATOM 471 CE1 PHE A 69 -10.444 17.543 33.945 1.00 52.12 C ATOM 472 CE2 PHE A 69 -12.250 16.035 33.675 1.00 51.25 C ATOM 473 CZ PHE A 69 -11.298 16.610 34.481 1.00 21.31 C ATOM 0 H PHE A 69 -11.187 15.045 29.065 1.00 22.34 H new ATOM 0 HA PHE A 69 -11.001 17.168 28.413 1.00 63.31 H new ATOM 0 HB2 PHE A 69 -11.534 18.798 30.314 1.00 30.35 H new ATOM 0 HB3 PHE A 69 -12.660 17.478 30.065 1.00 30.35 H new ATOM 0 HD1 PHE A 69 -9.902 18.630 32.215 1.00 12.51 H new ATOM 0 HD2 PHE A 69 -13.084 15.937 31.745 1.00 60.13 H new ATOM 0 HE1 PHE A 69 -9.680 17.998 34.558 1.00 52.12 H new ATOM 0 HE2 PHE A 69 -12.927 15.296 34.078 1.00 51.25 H new ATOM 0 HZ PHE A 69 -11.222 16.332 35.522 1.00 21.31 H new ATOM 483 N ALA A 70 -8.273 17.004 29.028 1.00 40.01 N ATOM 484 CA ALA A 70 -6.902 17.419 29.109 1.00 51.21 C ATOM 485 C ALA A 70 -6.057 16.318 28.530 1.00 71.54 C ATOM 486 O ALA A 70 -6.539 15.185 28.366 1.00 11.13 O ATOM 487 CB ALA A 70 -6.532 17.630 30.576 1.00 5.22 C ATOM 0 H ALA A 70 -8.396 16.090 28.591 1.00 40.01 H new ATOM 0 HA ALA A 70 -6.743 18.349 28.563 1.00 51.21 H new ATOM 0 HB1 ALA A 70 -5.491 17.946 30.647 1.00 5.22 H new ATOM 0 HB2 ALA A 70 -7.174 18.398 31.006 1.00 5.22 H new ATOM 0 HB3 ALA A 70 -6.666 16.697 31.123 1.00 5.22 H new ATOM 493 N TYR A 71 -4.842 16.643 28.167 1.00 72.31 N ATOM 494 CA TYR A 71 -3.911 15.657 27.688 1.00 10.21 C ATOM 495 C TYR A 71 -3.347 14.819 28.822 1.00 41.35 C ATOM 496 O TYR A 71 -3.424 15.215 29.986 1.00 32.02 O ATOM 497 CB TYR A 71 -2.775 16.300 26.883 1.00 65.11 C ATOM 498 CG TYR A 71 -3.186 16.697 25.507 1.00 10.42 C ATOM 499 CD1 TYR A 71 -3.923 15.828 24.733 1.00 12.22 C ATOM 500 CD2 TYR A 71 -2.829 17.917 24.970 1.00 51.11 C ATOM 501 CE1 TYR A 71 -4.301 16.147 23.476 1.00 73.54 C ATOM 502 CE2 TYR A 71 -3.204 18.257 23.693 1.00 61.03 C ATOM 503 CZ TYR A 71 -3.941 17.369 22.946 1.00 64.40 C ATOM 504 OH TYR A 71 -4.336 17.707 21.671 1.00 52.22 O ATOM 0 H TYR A 71 -4.473 17.594 28.195 1.00 72.31 H new ATOM 0 HA TYR A 71 -4.467 14.995 27.024 1.00 10.21 H new ATOM 0 HB2 TYR A 71 -2.413 17.179 27.416 1.00 65.11 H new ATOM 0 HB3 TYR A 71 -1.942 15.600 26.819 1.00 65.11 H new ATOM 0 HD1 TYR A 71 -4.205 14.869 25.141 1.00 12.22 H new ATOM 0 HD2 TYR A 71 -2.249 18.611 25.560 1.00 51.11 H new ATOM 0 HE1 TYR A 71 -4.881 15.450 22.890 1.00 73.54 H new ATOM 0 HE2 TYR A 71 -2.922 19.214 23.279 1.00 61.03 H new ATOM 0 HH TYR A 71 -4.644 16.905 21.200 1.00 52.22 H new ATOM 514 N PRO A 72 -2.778 13.640 28.503 1.00 1.14 N ATOM 515 CA PRO A 72 -2.145 12.798 29.491 1.00 73.44 C ATOM 516 C PRO A 72 -0.752 13.353 29.815 1.00 33.33 C ATOM 517 O PRO A 72 -0.242 14.205 29.080 1.00 24.20 O ATOM 518 CB PRO A 72 -2.006 11.435 28.771 1.00 22.42 C ATOM 519 CG PRO A 72 -2.525 11.601 27.382 1.00 31.44 C ATOM 520 CD PRO A 72 -2.687 13.057 27.143 1.00 23.31 C ATOM 0 HA PRO A 72 -2.702 12.734 30.426 1.00 73.44 H new ATOM 0 HB2 PRO A 72 -0.964 11.116 28.754 1.00 22.42 H new ATOM 0 HB3 PRO A 72 -2.567 10.664 29.299 1.00 22.42 H new ATOM 0 HG2 PRO A 72 -1.834 11.167 26.659 1.00 31.44 H new ATOM 0 HG3 PRO A 72 -3.477 11.084 27.263 1.00 31.44 H new ATOM 0 HD2 PRO A 72 -1.842 13.466 26.590 1.00 23.31 H new ATOM 0 HD3 PRO A 72 -3.583 13.268 26.558 1.00 23.31 H new ATOM 528 N SER A 73 -0.144 12.933 30.897 1.00 14.41 N ATOM 529 CA SER A 73 1.208 13.344 31.151 1.00 51.01 C ATOM 530 C SER A 73 2.081 12.212 30.674 1.00 22.54 C ATOM 531 O SER A 73 1.598 11.095 30.576 1.00 0.53 O ATOM 532 CB SER A 73 1.406 13.635 32.630 1.00 43.25 C ATOM 533 OG SER A 73 1.087 12.509 33.415 1.00 22.00 O ATOM 0 H SER A 73 -0.556 12.320 31.601 1.00 14.41 H new ATOM 0 HA SER A 73 1.461 14.266 30.628 1.00 51.01 H new ATOM 0 HB2 SER A 73 2.440 13.927 32.811 1.00 43.25 H new ATOM 0 HB3 SER A 73 0.780 14.477 32.925 1.00 43.25 H new ATOM 0 HG SER A 73 1.314 12.688 34.351 1.00 22.00 H new ATOM 539 N THR A 74 3.320 12.441 30.342 1.00 31.24 N ATOM 540 CA THR A 74 4.100 11.342 29.822 1.00 53.11 C ATOM 541 C THR A 74 4.479 10.337 30.956 1.00 31.42 C ATOM 542 O THR A 74 5.068 9.279 30.714 1.00 2.52 O ATOM 543 CB THR A 74 5.317 11.825 28.972 1.00 53.50 C ATOM 544 OG1 THR A 74 5.591 10.870 27.939 1.00 32.45 O ATOM 545 CG2 THR A 74 6.570 12.048 29.815 1.00 50.52 C ATOM 0 H THR A 74 3.801 13.337 30.415 1.00 31.24 H new ATOM 0 HA THR A 74 3.475 10.789 29.121 1.00 53.11 H new ATOM 0 HB THR A 74 5.048 12.787 28.536 1.00 53.50 H new ATOM 0 HG1 THR A 74 5.303 11.231 27.075 1.00 32.45 H new ATOM 0 HG21 THR A 74 7.385 12.383 29.174 1.00 50.52 H new ATOM 0 HG22 THR A 74 6.369 12.806 30.572 1.00 50.52 H new ATOM 0 HG23 THR A 74 6.852 11.114 30.302 1.00 50.52 H new ATOM 553 N GLN A 75 4.110 10.689 32.192 1.00 1.23 N ATOM 554 CA GLN A 75 4.280 9.805 33.311 1.00 14.21 C ATOM 555 C GLN A 75 2.917 9.164 33.681 1.00 13.55 C ATOM 556 O GLN A 75 2.656 7.997 33.381 1.00 32.54 O ATOM 557 CB GLN A 75 4.777 10.630 34.496 1.00 21.34 C ATOM 558 CG GLN A 75 5.148 9.839 35.726 1.00 14.32 C ATOM 559 CD GLN A 75 6.323 8.948 35.468 1.00 41.11 C ATOM 560 OE1 GLN A 75 6.183 7.787 35.107 1.00 75.11 O ATOM 561 NE2 GLN A 75 7.476 9.496 35.591 1.00 51.34 N ATOM 0 H GLN A 75 3.691 11.589 32.426 1.00 1.23 H new ATOM 0 HA GLN A 75 4.992 9.018 33.062 1.00 14.21 H new ATOM 0 HB2 GLN A 75 5.647 11.204 34.178 1.00 21.34 H new ATOM 0 HB3 GLN A 75 4.003 11.348 34.767 1.00 21.34 H new ATOM 0 HG2 GLN A 75 5.380 10.522 36.543 1.00 14.32 H new ATOM 0 HG3 GLN A 75 4.296 9.238 36.044 1.00 14.32 H new ATOM 0 HE21 GLN A 75 7.549 10.467 35.895 1.00 51.34 H new ATOM 0 HE22 GLN A 75 8.320 8.961 35.385 1.00 51.34 H new ATOM 570 N GLN A 76 1.998 9.992 34.176 1.00 70.24 N ATOM 571 CA GLN A 76 0.698 9.510 34.662 1.00 42.23 C ATOM 572 C GLN A 76 -0.251 9.281 33.541 1.00 25.04 C ATOM 573 O GLN A 76 -1.031 8.355 33.579 1.00 2.44 O ATOM 574 CB GLN A 76 0.076 10.468 35.681 1.00 45.15 C ATOM 575 CG GLN A 76 0.852 10.608 36.983 1.00 4.14 C ATOM 576 CD GLN A 76 0.965 9.298 37.736 1.00 23.15 C ATOM 577 OE1 GLN A 76 0.114 8.957 38.552 1.00 71.24 O ATOM 578 NE2 GLN A 76 2.001 8.561 37.476 1.00 3.35 N ATOM 0 H GLN A 76 2.126 11.001 34.253 1.00 70.24 H new ATOM 0 HA GLN A 76 0.888 8.559 35.160 1.00 42.23 H new ATOM 0 HB2 GLN A 76 -0.018 11.453 35.223 1.00 45.15 H new ATOM 0 HB3 GLN A 76 -0.933 10.126 35.911 1.00 45.15 H new ATOM 0 HG2 GLN A 76 1.851 10.987 36.768 1.00 4.14 H new ATOM 0 HG3 GLN A 76 0.361 11.346 37.617 1.00 4.14 H new ATOM 0 HE21 GLN A 76 2.690 8.873 36.792 1.00 3.35 H new ATOM 0 HE22 GLN A 76 2.126 7.669 37.956 1.00 3.35 H new ATOM 587 N GLY A 77 -0.175 10.099 32.525 1.00 23.33 N ATOM 588 CA GLY A 77 -1.045 9.887 31.428 1.00 22.21 C ATOM 589 C GLY A 77 -0.621 8.717 30.563 1.00 71.35 C ATOM 590 O GLY A 77 -1.439 8.164 29.854 1.00 42.54 O ATOM 0 H GLY A 77 0.463 10.891 32.444 1.00 23.33 H new ATOM 0 HA2 GLY A 77 -2.055 9.712 31.799 1.00 22.21 H new ATOM 0 HA3 GLY A 77 -1.081 10.790 30.818 1.00 22.21 H new ATOM 594 N LEU A 78 0.648 8.316 30.643 1.00 54.52 N ATOM 595 CA LEU A 78 1.119 7.195 29.837 1.00 11.41 C ATOM 596 C LEU A 78 0.486 5.948 30.383 1.00 10.05 C ATOM 597 O LEU A 78 -0.172 5.164 29.649 1.00 45.12 O ATOM 598 CB LEU A 78 2.660 7.117 29.859 1.00 42.12 C ATOM 599 CG LEU A 78 3.352 6.097 28.917 1.00 62.45 C ATOM 600 CD1 LEU A 78 4.816 6.407 28.847 1.00 54.02 C ATOM 601 CD2 LEU A 78 3.187 4.654 29.392 1.00 34.20 C ATOM 0 H LEU A 78 1.353 8.741 31.245 1.00 54.52 H new ATOM 0 HA LEU A 78 0.834 7.322 28.793 1.00 11.41 H new ATOM 0 HB2 LEU A 78 3.048 8.107 29.621 1.00 42.12 H new ATOM 0 HB3 LEU A 78 2.968 6.891 30.880 1.00 42.12 H new ATOM 0 HG LEU A 78 2.877 6.187 27.940 1.00 62.45 H new ATOM 0 HD11 LEU A 78 5.308 5.693 28.186 1.00 54.02 H new ATOM 0 HD12 LEU A 78 4.956 7.416 28.460 1.00 54.02 H new ATOM 0 HD13 LEU A 78 5.251 6.337 29.844 1.00 54.02 H new ATOM 0 HD21 LEU A 78 3.690 3.982 28.697 1.00 34.20 H new ATOM 0 HD22 LEU A 78 3.626 4.545 30.384 1.00 34.20 H new ATOM 0 HD23 LEU A 78 2.127 4.404 29.435 1.00 34.20 H new ATOM 613 N GLU A 79 0.614 5.786 31.681 1.00 61.32 N ATOM 614 CA GLU A 79 0.009 4.678 32.330 1.00 73.41 C ATOM 615 C GLU A 79 -1.490 4.786 32.234 1.00 23.25 C ATOM 616 O GLU A 79 -2.144 3.817 32.180 1.00 12.22 O ATOM 617 CB GLU A 79 0.450 4.536 33.767 1.00 52.34 C ATOM 618 CG GLU A 79 0.181 5.730 34.637 1.00 64.15 C ATOM 619 CD GLU A 79 0.390 5.425 36.079 1.00 23.31 C ATOM 620 OE1 GLU A 79 1.554 5.381 36.528 1.00 23.40 O ATOM 621 OE2 GLU A 79 -0.618 5.188 36.797 1.00 63.51 O ATOM 0 H GLU A 79 1.133 6.414 32.294 1.00 61.32 H new ATOM 0 HA GLU A 79 0.339 3.775 31.817 1.00 73.41 H new ATOM 0 HB2 GLU A 79 -0.050 3.670 34.200 1.00 52.34 H new ATOM 0 HB3 GLU A 79 1.520 4.327 33.784 1.00 52.34 H new ATOM 0 HG2 GLU A 79 0.836 6.550 34.341 1.00 64.15 H new ATOM 0 HG3 GLU A 79 -0.844 6.068 34.482 1.00 64.15 H new ATOM 628 N ALA A 80 -1.994 5.994 32.147 1.00 34.42 N ATOM 629 CA ALA A 80 -3.427 6.234 31.995 1.00 11.54 C ATOM 630 C ALA A 80 -3.919 5.986 30.561 1.00 41.12 C ATOM 631 O ALA A 80 -5.110 6.110 30.274 1.00 54.01 O ATOM 632 CB ALA A 80 -3.787 7.625 32.425 1.00 60.13 C ATOM 0 H ALA A 80 -1.431 6.844 32.179 1.00 34.42 H new ATOM 0 HA ALA A 80 -3.929 5.516 32.643 1.00 11.54 H new ATOM 0 HB1 ALA A 80 -4.859 7.778 32.302 1.00 60.13 H new ATOM 0 HB2 ALA A 80 -3.519 7.763 33.472 1.00 60.13 H new ATOM 0 HB3 ALA A 80 -3.245 8.347 31.814 1.00 60.13 H new ATOM 638 N LEU A 81 -3.002 5.725 29.659 1.00 5.22 N ATOM 639 CA LEU A 81 -3.355 5.307 28.312 1.00 33.02 C ATOM 640 C LEU A 81 -3.329 3.785 28.214 1.00 42.20 C ATOM 641 O LEU A 81 -3.860 3.200 27.275 1.00 54.45 O ATOM 642 CB LEU A 81 -2.410 5.907 27.268 1.00 24.24 C ATOM 643 CG LEU A 81 -2.444 7.426 27.084 1.00 40.23 C ATOM 644 CD1 LEU A 81 -1.368 7.861 26.102 1.00 33.54 C ATOM 645 CD2 LEU A 81 -3.811 7.874 26.591 1.00 2.04 C ATOM 0 H LEU A 81 -1.999 5.794 29.830 1.00 5.22 H new ATOM 0 HA LEU A 81 -4.361 5.672 28.105 1.00 33.02 H new ATOM 0 HB2 LEU A 81 -1.391 5.621 27.531 1.00 24.24 H new ATOM 0 HB3 LEU A 81 -2.633 5.445 26.306 1.00 24.24 H new ATOM 0 HG LEU A 81 -2.252 7.894 28.050 1.00 40.23 H new ATOM 0 HD11 LEU A 81 -1.403 8.944 25.980 1.00 33.54 H new ATOM 0 HD12 LEU A 81 -0.389 7.570 26.483 1.00 33.54 H new ATOM 0 HD13 LEU A 81 -1.540 7.382 25.138 1.00 33.54 H new ATOM 0 HD21 LEU A 81 -3.816 8.957 26.466 1.00 2.04 H new ATOM 0 HD22 LEU A 81 -4.027 7.397 25.635 1.00 2.04 H new ATOM 0 HD23 LEU A 81 -4.571 7.589 27.318 1.00 2.04 H new ATOM 657 N VAL A 82 -2.646 3.156 29.145 1.00 14.45 N ATOM 658 CA VAL A 82 -2.591 1.679 29.199 1.00 32.24 C ATOM 659 C VAL A 82 -3.601 1.132 30.232 1.00 40.13 C ATOM 660 O VAL A 82 -4.293 0.128 30.020 1.00 54.13 O ATOM 661 CB VAL A 82 -1.168 1.212 29.618 1.00 64.22 C ATOM 662 CG1 VAL A 82 -1.041 -0.303 29.584 1.00 33.52 C ATOM 663 CG2 VAL A 82 -0.108 1.860 28.750 1.00 22.35 C ATOM 0 H VAL A 82 -2.117 3.626 29.880 1.00 14.45 H new ATOM 0 HA VAL A 82 -2.837 1.300 28.207 1.00 32.24 H new ATOM 0 HB VAL A 82 -1.011 1.532 30.648 1.00 64.22 H new ATOM 0 HG11 VAL A 82 -0.033 -0.590 29.883 1.00 33.52 H new ATOM 0 HG12 VAL A 82 -1.763 -0.744 30.271 1.00 33.52 H new ATOM 0 HG13 VAL A 82 -1.236 -0.662 28.573 1.00 33.52 H new ATOM 0 HG21 VAL A 82 0.878 1.517 29.063 1.00 22.35 H new ATOM 0 HG22 VAL A 82 -0.274 1.586 27.708 1.00 22.35 H new ATOM 0 HG23 VAL A 82 -0.165 2.944 28.854 1.00 22.35 H new ATOM 673 N LYS A 83 -3.672 1.834 31.293 1.00 64.34 N ATOM 674 CA LYS A 83 -4.399 1.535 32.489 1.00 64.33 C ATOM 675 C LYS A 83 -5.385 2.672 32.727 1.00 15.41 C ATOM 676 O LYS A 83 -5.122 3.783 32.327 1.00 24.43 O ATOM 677 CB LYS A 83 -3.317 1.422 33.589 1.00 43.45 C ATOM 678 CG LYS A 83 -3.688 1.724 35.020 1.00 70.43 C ATOM 679 CD LYS A 83 -2.438 1.573 35.885 1.00 70.13 C ATOM 680 CE LYS A 83 -2.627 2.074 37.303 1.00 11.53 C ATOM 681 NZ LYS A 83 -2.797 3.544 37.365 1.00 44.23 N ATOM 0 H LYS A 83 -3.178 2.723 31.367 1.00 64.34 H new ATOM 0 HA LYS A 83 -4.983 0.615 32.456 1.00 64.33 H new ATOM 0 HB2 LYS A 83 -2.924 0.406 33.559 1.00 43.45 H new ATOM 0 HB3 LYS A 83 -2.499 2.088 33.314 1.00 43.45 H new ATOM 0 HG2 LYS A 83 -4.087 2.735 35.103 1.00 70.43 H new ATOM 0 HG3 LYS A 83 -4.469 1.044 35.361 1.00 70.43 H new ATOM 0 HD2 LYS A 83 -2.149 0.522 35.914 1.00 70.13 H new ATOM 0 HD3 LYS A 83 -1.615 2.117 35.421 1.00 70.13 H new ATOM 0 HE2 LYS A 83 -3.500 1.591 37.743 1.00 11.53 H new ATOM 0 HE3 LYS A 83 -1.766 1.785 37.905 1.00 11.53 H new ATOM 0 HZ1 LYS A 83 -2.956 3.834 38.351 1.00 44.23 H new ATOM 0 HZ2 LYS A 83 -1.940 4.008 37.002 1.00 44.23 H new ATOM 0 HZ3 LYS A 83 -3.614 3.824 36.786 1.00 44.23 H new ATOM 695 N LYS A 84 -6.528 2.368 33.315 1.00 24.41 N ATOM 696 CA LYS A 84 -7.594 3.364 33.529 1.00 12.22 C ATOM 697 C LYS A 84 -7.090 4.560 34.325 1.00 54.41 C ATOM 698 O LYS A 84 -6.430 4.387 35.352 1.00 12.12 O ATOM 699 CB LYS A 84 -8.826 2.741 34.226 1.00 72.24 C ATOM 700 CG LYS A 84 -9.697 1.854 33.332 1.00 61.35 C ATOM 701 CD LYS A 84 -9.009 0.574 32.857 1.00 60.25 C ATOM 702 CE LYS A 84 -8.802 -0.432 33.980 1.00 24.54 C ATOM 703 NZ LYS A 84 -8.211 -1.697 33.479 1.00 53.31 N ATOM 0 H LYS A 84 -6.755 1.435 33.660 1.00 24.41 H new ATOM 0 HA LYS A 84 -7.900 3.713 32.543 1.00 12.22 H new ATOM 0 HB2 LYS A 84 -8.484 2.150 35.075 1.00 72.24 H new ATOM 0 HB3 LYS A 84 -9.443 3.545 34.626 1.00 72.24 H new ATOM 0 HG2 LYS A 84 -10.602 1.586 33.877 1.00 61.35 H new ATOM 0 HG3 LYS A 84 -10.009 2.430 32.461 1.00 61.35 H new ATOM 0 HD2 LYS A 84 -9.607 0.116 32.069 1.00 60.25 H new ATOM 0 HD3 LYS A 84 -8.044 0.826 32.418 1.00 60.25 H new ATOM 0 HE2 LYS A 84 -8.150 -0.001 34.740 1.00 24.54 H new ATOM 0 HE3 LYS A 84 -9.757 -0.642 34.462 1.00 24.54 H new ATOM 0 HZ1 LYS A 84 -8.084 -2.359 34.271 1.00 53.31 H new ATOM 0 HZ2 LYS A 84 -8.846 -2.121 32.772 1.00 53.31 H new ATOM 0 HZ3 LYS A 84 -7.288 -1.500 33.042 1.00 53.31 H new ATOM 717 N PRO A 85 -7.404 5.773 33.852 1.00 43.12 N ATOM 718 CA PRO A 85 -6.945 7.013 34.462 1.00 73.42 C ATOM 719 C PRO A 85 -7.484 7.190 35.875 1.00 4.14 C ATOM 720 O PRO A 85 -8.703 7.065 36.121 1.00 24.43 O ATOM 721 CB PRO A 85 -7.503 8.099 33.527 1.00 1.22 C ATOM 722 CG PRO A 85 -8.648 7.455 32.851 1.00 74.31 C ATOM 723 CD PRO A 85 -8.258 6.029 32.685 1.00 61.01 C ATOM 0 HA PRO A 85 -5.860 7.044 34.566 1.00 73.42 H new ATOM 0 HB2 PRO A 85 -7.817 8.980 34.086 1.00 1.22 H new ATOM 0 HB3 PRO A 85 -6.752 8.428 32.809 1.00 1.22 H new ATOM 0 HG2 PRO A 85 -9.557 7.547 33.445 1.00 74.31 H new ATOM 0 HG3 PRO A 85 -8.848 7.922 31.887 1.00 74.31 H new ATOM 0 HD2 PRO A 85 -9.128 5.373 32.672 1.00 61.01 H new ATOM 0 HD3 PRO A 85 -7.721 5.865 31.750 1.00 61.01 H new ATOM 731 N THR A 86 -6.594 7.460 36.784 1.00 3.24 N ATOM 732 CA THR A 86 -6.934 7.660 38.150 1.00 20.11 C ATOM 733 C THR A 86 -7.206 9.127 38.413 1.00 31.13 C ATOM 734 O THR A 86 -6.285 9.971 38.435 1.00 75.33 O ATOM 735 CB THR A 86 -5.837 7.105 39.079 1.00 32.30 C ATOM 736 OG1 THR A 86 -4.538 7.354 38.503 1.00 52.00 O ATOM 737 CG2 THR A 86 -6.021 5.618 39.293 1.00 53.42 C ATOM 0 H THR A 86 -5.597 7.548 36.587 1.00 3.24 H new ATOM 0 HA THR A 86 -7.847 7.107 38.368 1.00 20.11 H new ATOM 0 HB THR A 86 -5.912 7.609 40.043 1.00 32.30 H new ATOM 0 HG1 THR A 86 -3.843 7.001 39.098 1.00 52.00 H new ATOM 0 HG21 THR A 86 -5.236 5.245 39.952 1.00 53.42 H new ATOM 0 HG22 THR A 86 -6.994 5.434 39.747 1.00 53.42 H new ATOM 0 HG23 THR A 86 -5.965 5.103 38.334 1.00 53.42 H new ATOM 745 N GLY A 87 -8.460 9.436 38.561 1.00 64.14 N ATOM 746 CA GLY A 87 -8.881 10.775 38.763 1.00 44.44 C ATOM 747 C GLY A 87 -10.308 10.924 38.362 1.00 13.44 C ATOM 748 O GLY A 87 -11.109 10.013 38.574 1.00 73.12 O ATOM 0 H GLY A 87 -9.219 8.755 38.544 1.00 64.14 H new ATOM 0 HA2 GLY A 87 -8.758 11.050 39.811 1.00 44.44 H new ATOM 0 HA3 GLY A 87 -8.258 11.453 38.180 1.00 44.44 H new ATOM 752 N ASN A 88 -10.637 12.025 37.754 1.00 63.22 N ATOM 753 CA ASN A 88 -12.003 12.268 37.339 1.00 33.51 C ATOM 754 C ASN A 88 -12.091 12.426 35.834 1.00 10.04 C ATOM 755 O ASN A 88 -11.911 13.520 35.324 1.00 23.30 O ATOM 756 CB ASN A 88 -12.574 13.529 38.005 1.00 43.04 C ATOM 757 CG ASN A 88 -12.692 13.437 39.508 1.00 74.15 C ATOM 758 OD1 ASN A 88 -12.923 12.369 40.069 1.00 23.55 O ATOM 759 ND2 ASN A 88 -12.544 14.543 40.171 1.00 71.42 N ATOM 0 H ASN A 88 -9.983 12.775 37.530 1.00 63.22 H new ATOM 0 HA ASN A 88 -12.589 11.403 37.650 1.00 33.51 H new ATOM 0 HB2 ASN A 88 -11.939 14.378 37.753 1.00 43.04 H new ATOM 0 HB3 ASN A 88 -13.560 13.733 37.586 1.00 43.04 H new ATOM 0 HD21 ASN A 88 -12.619 14.542 41.188 1.00 71.42 H new ATOM 0 HD22 ASN A 88 -12.353 15.413 39.675 1.00 71.42 H new ATOM 766 N PRO A 89 -12.262 11.344 35.086 1.00 44.04 N ATOM 767 CA PRO A 89 -12.491 11.433 33.672 1.00 31.51 C ATOM 768 C PRO A 89 -14.006 11.460 33.399 1.00 63.12 C ATOM 769 O PRO A 89 -14.819 11.053 34.252 1.00 22.03 O ATOM 770 CB PRO A 89 -11.821 10.156 33.116 1.00 61.31 C ATOM 771 CG PRO A 89 -11.615 9.253 34.309 1.00 21.31 C ATOM 772 CD PRO A 89 -12.203 9.949 35.517 1.00 52.34 C ATOM 0 HA PRO A 89 -12.087 12.333 33.209 1.00 31.51 H new ATOM 0 HB2 PRO A 89 -12.451 9.677 32.366 1.00 61.31 H new ATOM 0 HB3 PRO A 89 -10.872 10.390 32.633 1.00 61.31 H new ATOM 0 HG2 PRO A 89 -12.100 8.290 34.148 1.00 21.31 H new ATOM 0 HG3 PRO A 89 -10.554 9.055 34.460 1.00 21.31 H new ATOM 0 HD2 PRO A 89 -13.190 9.560 35.768 1.00 52.34 H new ATOM 0 HD3 PRO A 89 -11.577 9.824 36.401 1.00 52.34 H new ATOM 780 N GLN A 90 -14.386 11.937 32.266 1.00 54.40 N ATOM 781 CA GLN A 90 -15.789 12.057 31.917 1.00 65.20 C ATOM 782 C GLN A 90 -16.252 10.762 31.273 1.00 33.50 C ATOM 783 O GLN A 90 -15.417 9.978 30.861 1.00 74.42 O ATOM 784 CB GLN A 90 -15.991 13.248 30.981 1.00 3.04 C ATOM 785 CG GLN A 90 -15.799 14.598 31.659 1.00 62.42 C ATOM 786 CD GLN A 90 -15.944 15.750 30.693 1.00 51.24 C ATOM 787 OE1 GLN A 90 -16.650 15.652 29.699 1.00 11.33 O ATOM 788 NE2 GLN A 90 -15.321 16.855 30.987 1.00 24.22 N ATOM 0 H GLN A 90 -13.744 12.260 31.542 1.00 54.40 H new ATOM 0 HA GLN A 90 -16.385 12.233 32.812 1.00 65.20 H new ATOM 0 HB2 GLN A 90 -15.293 13.167 30.148 1.00 3.04 H new ATOM 0 HB3 GLN A 90 -16.995 13.202 30.560 1.00 3.04 H new ATOM 0 HG2 GLN A 90 -16.528 14.706 32.462 1.00 62.42 H new ATOM 0 HG3 GLN A 90 -14.811 14.634 32.119 1.00 62.42 H new ATOM 0 HE21 GLN A 90 -14.739 16.905 31.823 1.00 24.22 H new ATOM 0 HE22 GLN A 90 -15.415 17.670 30.381 1.00 24.22 H new ATOM 797 N PRO A 91 -17.570 10.463 31.248 1.00 62.12 N ATOM 798 CA PRO A 91 -18.072 9.257 30.590 1.00 72.51 C ATOM 799 C PRO A 91 -17.771 9.273 29.083 1.00 63.41 C ATOM 800 O PRO A 91 -18.450 9.949 28.289 1.00 14.33 O ATOM 801 CB PRO A 91 -19.587 9.283 30.854 1.00 74.54 C ATOM 802 CG PRO A 91 -19.894 10.698 31.226 1.00 64.35 C ATOM 803 CD PRO A 91 -18.655 11.243 31.876 1.00 21.11 C ATOM 0 HA PRO A 91 -17.598 8.352 30.971 1.00 72.51 H new ATOM 0 HB2 PRO A 91 -20.146 8.978 29.970 1.00 74.54 H new ATOM 0 HB3 PRO A 91 -19.859 8.597 31.656 1.00 74.54 H new ATOM 0 HG2 PRO A 91 -20.160 11.282 30.345 1.00 64.35 H new ATOM 0 HG3 PRO A 91 -20.743 10.745 31.908 1.00 64.35 H new ATOM 0 HD2 PRO A 91 -18.541 12.311 31.692 1.00 21.11 H new ATOM 0 HD3 PRO A 91 -18.675 11.106 32.957 1.00 21.11 H new ATOM 811 N LYS A 92 -16.732 8.582 28.715 1.00 32.11 N ATOM 812 CA LYS A 92 -16.261 8.515 27.367 1.00 14.33 C ATOM 813 C LYS A 92 -15.602 7.151 27.223 1.00 63.54 C ATOM 814 O LYS A 92 -15.187 6.561 28.230 1.00 45.33 O ATOM 815 CB LYS A 92 -15.270 9.697 27.112 1.00 4.20 C ATOM 816 CG LYS A 92 -14.936 10.029 25.643 1.00 4.51 C ATOM 817 CD LYS A 92 -14.032 9.008 24.974 1.00 31.42 C ATOM 818 CE LYS A 92 -13.797 9.336 23.510 1.00 22.42 C ATOM 819 NZ LYS A 92 -15.025 9.230 22.684 1.00 72.05 N ATOM 0 H LYS A 92 -16.173 8.033 29.368 1.00 32.11 H new ATOM 0 HA LYS A 92 -17.056 8.616 26.628 1.00 14.33 H new ATOM 0 HB2 LYS A 92 -15.685 10.592 27.575 1.00 4.20 H new ATOM 0 HB3 LYS A 92 -14.337 9.474 27.629 1.00 4.20 H new ATOM 0 HG2 LYS A 92 -15.865 10.104 25.077 1.00 4.51 H new ATOM 0 HG3 LYS A 92 -14.457 11.007 25.601 1.00 4.51 H new ATOM 0 HD2 LYS A 92 -13.076 8.972 25.496 1.00 31.42 H new ATOM 0 HD3 LYS A 92 -14.479 8.017 25.057 1.00 31.42 H new ATOM 0 HE2 LYS A 92 -13.399 10.348 23.430 1.00 22.42 H new ATOM 0 HE3 LYS A 92 -13.039 8.663 23.110 1.00 22.42 H new ATOM 0 HZ1 LYS A 92 -14.773 9.298 21.677 1.00 72.05 H new ATOM 0 HZ2 LYS A 92 -15.487 8.316 22.865 1.00 72.05 H new ATOM 0 HZ3 LYS A 92 -15.677 10.002 22.930 1.00 72.05 H new ATOM 833 N ASN A 93 -15.660 6.576 26.047 1.00 63.24 N ATOM 834 CA ASN A 93 -15.004 5.294 25.791 1.00 32.22 C ATOM 835 C ASN A 93 -13.475 5.413 25.894 1.00 14.41 C ATOM 836 O ASN A 93 -12.811 5.821 24.926 1.00 2.20 O ATOM 837 CB ASN A 93 -15.364 4.715 24.402 1.00 33.13 C ATOM 838 CG ASN A 93 -16.834 4.384 24.213 1.00 74.44 C ATOM 839 OD1 ASN A 93 -17.285 3.292 24.567 1.00 10.31 O ATOM 840 ND2 ASN A 93 -17.577 5.274 23.597 1.00 52.42 N ATOM 0 H ASN A 93 -16.153 6.967 25.244 1.00 63.24 H new ATOM 0 HA ASN A 93 -15.372 4.614 26.560 1.00 32.22 H new ATOM 0 HB2 ASN A 93 -15.066 5.432 23.637 1.00 33.13 H new ATOM 0 HB3 ASN A 93 -14.778 3.811 24.238 1.00 33.13 H new ATOM 0 HD21 ASN A 93 -18.557 5.071 23.399 1.00 52.42 H new ATOM 0 HD22 ASN A 93 -17.175 6.168 23.317 1.00 52.42 H new ATOM 847 N TRP A 94 -12.937 5.172 27.082 1.00 51.43 N ATOM 848 CA TRP A 94 -11.523 5.070 27.288 1.00 72.34 C ATOM 849 C TRP A 94 -10.989 3.827 26.565 1.00 42.11 C ATOM 850 O TRP A 94 -11.628 2.760 26.565 1.00 40.15 O ATOM 851 CB TRP A 94 -11.217 4.999 28.799 1.00 72.15 C ATOM 852 CG TRP A 94 -9.767 4.807 29.122 1.00 51.31 C ATOM 853 CD1 TRP A 94 -8.838 5.774 29.321 1.00 52.43 C ATOM 854 CD2 TRP A 94 -9.087 3.558 29.276 1.00 24.31 C ATOM 855 NE1 TRP A 94 -7.615 5.199 29.562 1.00 55.13 N ATOM 856 CE2 TRP A 94 -7.747 3.844 29.542 1.00 0.14 C ATOM 857 CE3 TRP A 94 -9.490 2.221 29.204 1.00 1.23 C ATOM 858 CZ2 TRP A 94 -6.805 2.854 29.734 1.00 11.54 C ATOM 859 CZ3 TRP A 94 -8.553 1.239 29.399 1.00 52.11 C ATOM 860 CH2 TRP A 94 -7.225 1.559 29.662 1.00 51.22 C ATOM 0 H TRP A 94 -13.488 5.042 27.931 1.00 51.43 H new ATOM 0 HA TRP A 94 -11.028 5.951 26.880 1.00 72.34 H new ATOM 0 HB2 TRP A 94 -11.565 5.917 29.273 1.00 72.15 H new ATOM 0 HB3 TRP A 94 -11.787 4.179 29.236 1.00 72.15 H new ATOM 0 HD1 TRP A 94 -9.031 6.836 29.294 1.00 52.43 H new ATOM 0 HE1 TRP A 94 -6.746 5.706 29.729 1.00 55.13 H new ATOM 0 HE3 TRP A 94 -10.519 1.967 28.999 1.00 1.23 H new ATOM 0 HZ2 TRP A 94 -5.772 3.096 29.934 1.00 11.54 H new ATOM 0 HZ3 TRP A 94 -8.850 0.202 29.348 1.00 52.11 H new ATOM 0 HH2 TRP A 94 -6.510 0.763 29.813 1.00 51.22 H new ATOM 871 N ASN A 95 -9.844 3.961 25.970 1.00 51.41 N ATOM 872 CA ASN A 95 -9.207 2.883 25.263 1.00 0.52 C ATOM 873 C ASN A 95 -7.795 2.739 25.767 1.00 23.10 C ATOM 874 O ASN A 95 -7.095 3.735 25.943 1.00 33.41 O ATOM 875 CB ASN A 95 -9.186 3.150 23.741 1.00 43.45 C ATOM 876 CG ASN A 95 -8.413 2.088 22.926 1.00 11.22 C ATOM 877 OD1 ASN A 95 -7.778 2.410 21.927 1.00 55.41 O ATOM 878 ND2 ASN A 95 -8.504 0.831 23.293 1.00 45.41 N ATOM 0 H ASN A 95 -9.315 4.833 25.959 1.00 51.41 H new ATOM 0 HA ASN A 95 -9.770 1.966 25.439 1.00 0.52 H new ATOM 0 HB2 ASN A 95 -10.212 3.196 23.377 1.00 43.45 H new ATOM 0 HB3 ASN A 95 -8.739 4.128 23.560 1.00 43.45 H new ATOM 0 HD21 ASN A 95 -8.043 0.105 22.745 1.00 45.41 H new ATOM 0 HD22 ASN A 95 -9.036 0.580 24.126 1.00 45.41 H new ATOM 885 N LYS A 96 -7.393 1.516 26.025 1.00 15.45 N ATOM 886 CA LYS A 96 -6.031 1.217 26.412 1.00 21.00 C ATOM 887 C LYS A 96 -5.153 1.297 25.172 1.00 10.01 C ATOM 888 O LYS A 96 -5.578 1.795 24.123 1.00 1.24 O ATOM 889 CB LYS A 96 -5.934 -0.225 26.943 1.00 51.25 C ATOM 890 CG LYS A 96 -6.196 -1.272 25.862 1.00 2.22 C ATOM 891 CD LYS A 96 -6.106 -2.683 26.375 1.00 52.54 C ATOM 892 CE LYS A 96 -6.295 -3.674 25.238 1.00 23.10 C ATOM 893 NZ LYS A 96 -6.219 -5.072 25.697 1.00 4.43 N ATOM 0 H LYS A 96 -8.001 0.698 25.973 1.00 15.45 H new ATOM 0 HA LYS A 96 -5.717 1.923 27.181 1.00 21.00 H new ATOM 0 HB2 LYS A 96 -4.942 -0.386 27.366 1.00 51.25 H new ATOM 0 HB3 LYS A 96 -6.651 -0.358 27.753 1.00 51.25 H new ATOM 0 HG2 LYS A 96 -7.187 -1.108 25.438 1.00 2.22 H new ATOM 0 HG3 LYS A 96 -5.477 -1.139 25.053 1.00 2.22 H new ATOM 0 HD2 LYS A 96 -5.137 -2.843 26.848 1.00 52.54 H new ATOM 0 HD3 LYS A 96 -6.865 -2.848 27.139 1.00 52.54 H new ATOM 0 HE2 LYS A 96 -7.262 -3.501 24.765 1.00 23.10 H new ATOM 0 HE3 LYS A 96 -5.533 -3.501 24.478 1.00 23.10 H new ATOM 0 HZ1 LYS A 96 -6.354 -5.711 24.888 1.00 4.43 H new ATOM 0 HZ2 LYS A 96 -5.287 -5.247 26.125 1.00 4.43 H new ATOM 0 HZ3 LYS A 96 -6.962 -5.246 26.403 1.00 4.43 H new ATOM 907 N ASP A 97 -3.919 0.838 25.311 1.00 71.32 N ATOM 908 CA ASP A 97 -3.021 0.624 24.176 1.00 23.10 C ATOM 909 C ASP A 97 -2.627 1.960 23.533 1.00 23.53 C ATOM 910 O ASP A 97 -2.098 2.018 22.427 1.00 41.45 O ATOM 911 CB ASP A 97 -3.701 -0.361 23.187 1.00 71.25 C ATOM 912 CG ASP A 97 -2.827 -0.893 22.095 1.00 60.51 C ATOM 913 OD1 ASP A 97 -1.887 -1.668 22.404 1.00 51.32 O ATOM 914 OD2 ASP A 97 -3.112 -0.634 20.900 1.00 2.40 O ATOM 0 H ASP A 97 -3.507 0.602 26.214 1.00 71.32 H new ATOM 0 HA ASP A 97 -2.085 0.173 24.506 1.00 23.10 H new ATOM 0 HB2 ASP A 97 -4.094 -1.204 23.756 1.00 71.25 H new ATOM 0 HB3 ASP A 97 -4.554 0.142 22.732 1.00 71.25 H new ATOM 919 N GLY A 98 -2.881 3.032 24.269 1.00 55.00 N ATOM 920 CA GLY A 98 -2.425 4.341 23.864 1.00 72.43 C ATOM 921 C GLY A 98 -3.498 5.200 23.277 1.00 72.22 C ATOM 922 O GLY A 98 -3.197 6.277 22.783 1.00 70.32 O ATOM 0 H GLY A 98 -3.400 3.015 25.147 1.00 55.00 H new ATOM 0 HA2 GLY A 98 -1.998 4.850 24.728 1.00 72.43 H new ATOM 0 HA3 GLY A 98 -1.624 4.226 23.133 1.00 72.43 H new ATOM 926 N TYR A 99 -4.754 4.745 23.385 1.00 44.42 N ATOM 927 CA TYR A 99 -5.891 5.395 22.740 1.00 32.35 C ATOM 928 C TYR A 99 -5.702 5.372 21.222 1.00 23.13 C ATOM 929 O TYR A 99 -5.067 6.238 20.632 1.00 43.24 O ATOM 930 CB TYR A 99 -6.150 6.828 23.268 1.00 13.33 C ATOM 931 CG TYR A 99 -7.441 7.017 23.951 1.00 14.00 C ATOM 932 CD1 TYR A 99 -8.558 7.418 23.255 1.00 52.43 C ATOM 933 CD2 TYR A 99 -7.535 6.848 25.306 1.00 62.43 C ATOM 934 CE1 TYR A 99 -9.734 7.655 23.896 1.00 74.34 C ATOM 935 CE2 TYR A 99 -8.706 7.064 25.954 1.00 22.33 C ATOM 936 CZ TYR A 99 -9.805 7.474 25.245 1.00 64.33 C ATOM 937 OH TYR A 99 -10.957 7.738 25.887 1.00 4.41 O ATOM 0 H TYR A 99 -5.005 3.916 23.923 1.00 44.42 H new ATOM 0 HA TYR A 99 -6.787 4.829 22.995 1.00 32.35 H new ATOM 0 HB2 TYR A 99 -5.349 7.095 23.957 1.00 13.33 H new ATOM 0 HB3 TYR A 99 -6.094 7.523 22.430 1.00 13.33 H new ATOM 0 HD1 TYR A 99 -8.500 7.546 22.184 1.00 52.43 H new ATOM 0 HD2 TYR A 99 -6.665 6.539 25.866 1.00 62.43 H new ATOM 0 HE1 TYR A 99 -10.601 7.983 23.342 1.00 74.34 H new ATOM 0 HE2 TYR A 99 -8.772 6.914 27.021 1.00 22.33 H new ATOM 0 HH TYR A 99 -11.662 7.147 25.550 1.00 4.41 H new ATOM 947 N LEU A 100 -6.232 4.360 20.612 1.00 63.41 N ATOM 948 CA LEU A 100 -6.061 4.128 19.205 1.00 72.54 C ATOM 949 C LEU A 100 -7.461 3.920 18.640 1.00 42.20 C ATOM 950 O LEU A 100 -8.373 3.564 19.382 1.00 43.54 O ATOM 951 CB LEU A 100 -5.210 2.830 19.053 1.00 51.31 C ATOM 952 CG LEU A 100 -4.343 2.591 17.778 1.00 64.50 C ATOM 953 CD1 LEU A 100 -3.561 1.305 17.937 1.00 51.04 C ATOM 954 CD2 LEU A 100 -5.154 2.522 16.496 1.00 41.41 C ATOM 0 H LEU A 100 -6.805 3.658 21.081 1.00 63.41 H new ATOM 0 HA LEU A 100 -5.562 4.947 18.686 1.00 72.54 H new ATOM 0 HB2 LEU A 100 -4.539 2.784 19.911 1.00 51.31 H new ATOM 0 HB3 LEU A 100 -5.894 1.986 19.138 1.00 51.31 H new ATOM 0 HG LEU A 100 -3.679 3.451 17.688 1.00 64.50 H new ATOM 0 HD11 LEU A 100 -2.954 1.136 17.047 1.00 51.04 H new ATOM 0 HD12 LEU A 100 -2.912 1.379 18.810 1.00 51.04 H new ATOM 0 HD13 LEU A 100 -4.252 0.473 18.068 1.00 51.04 H new ATOM 0 HD21 LEU A 100 -4.486 2.354 15.651 1.00 41.41 H new ATOM 0 HD22 LEU A 100 -5.869 1.702 16.562 1.00 41.41 H new ATOM 0 HD23 LEU A 100 -5.690 3.460 16.354 1.00 41.41 H new ATOM 966 N LYS A 101 -7.649 4.171 17.366 1.00 63.24 N ATOM 967 CA LYS A 101 -8.919 3.894 16.705 1.00 20.03 C ATOM 968 C LYS A 101 -9.143 2.363 16.604 1.00 32.54 C ATOM 969 O LYS A 101 -8.372 1.584 17.157 1.00 64.00 O ATOM 970 CB LYS A 101 -8.941 4.549 15.315 1.00 32.53 C ATOM 971 CG LYS A 101 -8.950 6.080 15.343 1.00 64.25 C ATOM 972 CD LYS A 101 -10.266 6.641 15.888 1.00 52.41 C ATOM 973 CE LYS A 101 -11.439 6.399 14.929 1.00 33.32 C ATOM 974 NZ LYS A 101 -11.279 7.127 13.641 1.00 61.41 N ATOM 0 H LYS A 101 -6.936 4.570 16.755 1.00 63.24 H new ATOM 0 HA LYS A 101 -9.732 4.318 17.295 1.00 20.03 H new ATOM 0 HB2 LYS A 101 -8.070 4.212 14.753 1.00 32.53 H new ATOM 0 HB3 LYS A 101 -9.822 4.201 14.776 1.00 32.53 H new ATOM 0 HG2 LYS A 101 -8.123 6.435 15.958 1.00 64.25 H new ATOM 0 HG3 LYS A 101 -8.784 6.461 14.335 1.00 64.25 H new ATOM 0 HD2 LYS A 101 -10.485 6.180 16.851 1.00 52.41 H new ATOM 0 HD3 LYS A 101 -10.158 7.711 16.064 1.00 52.41 H new ATOM 0 HE2 LYS A 101 -11.528 5.331 14.731 1.00 33.32 H new ATOM 0 HE3 LYS A 101 -12.367 6.713 15.408 1.00 33.32 H new ATOM 0 HZ1 LYS A 101 -12.175 7.100 13.114 1.00 61.41 H new ATOM 0 HZ2 LYS A 101 -11.018 8.116 13.831 1.00 61.41 H new ATOM 0 HZ3 LYS A 101 -10.532 6.674 13.077 1.00 61.41 H new ATOM 988 N LYS A 102 -10.170 1.939 15.886 1.00 63.13 N ATOM 989 CA LYS A 102 -10.516 0.504 15.751 1.00 2.05 C ATOM 990 C LYS A 102 -9.535 -0.295 14.851 1.00 11.11 C ATOM 991 O LYS A 102 -9.882 -1.316 14.280 1.00 2.03 O ATOM 992 CB LYS A 102 -12.007 0.344 15.313 1.00 4.25 C ATOM 993 CG LYS A 102 -12.477 1.133 14.094 1.00 43.34 C ATOM 994 CD LYS A 102 -11.901 0.612 12.796 1.00 14.55 C ATOM 995 CE LYS A 102 -12.637 1.198 11.632 1.00 61.12 C ATOM 996 NZ LYS A 102 -12.123 0.730 10.328 1.00 12.44 N ATOM 0 H LYS A 102 -10.794 2.564 15.376 1.00 63.13 H new ATOM 0 HA LYS A 102 -10.402 0.054 16.737 1.00 2.05 H new ATOM 0 HB2 LYS A 102 -12.188 -0.713 15.118 1.00 4.25 H new ATOM 0 HB3 LYS A 102 -12.637 0.625 16.157 1.00 4.25 H new ATOM 0 HG2 LYS A 102 -13.565 1.098 14.042 1.00 43.34 H new ATOM 0 HG3 LYS A 102 -12.197 2.180 14.215 1.00 43.34 H new ATOM 0 HD2 LYS A 102 -10.843 0.866 12.732 1.00 14.55 H new ATOM 0 HD3 LYS A 102 -11.970 -0.475 12.769 1.00 14.55 H new ATOM 0 HE2 LYS A 102 -13.694 0.943 11.712 1.00 61.12 H new ATOM 0 HE3 LYS A 102 -12.567 2.285 11.675 1.00 61.12 H new ATOM 0 HZ1 LYS A 102 -12.671 1.169 9.561 1.00 12.44 H new ATOM 0 HZ2 LYS A 102 -11.122 0.995 10.234 1.00 12.44 H new ATOM 0 HZ3 LYS A 102 -12.214 -0.304 10.270 1.00 12.44 H new ATOM 1010 N LEU A 103 -8.317 0.139 14.809 1.00 24.22 N ATOM 1011 CA LEU A 103 -7.295 -0.474 14.002 1.00 74.23 C ATOM 1012 C LEU A 103 -6.356 -1.260 14.895 1.00 42.14 C ATOM 1013 O LEU A 103 -6.184 -0.900 16.064 1.00 65.33 O ATOM 1014 CB LEU A 103 -6.497 0.570 13.184 1.00 52.32 C ATOM 1015 CG LEU A 103 -7.211 1.253 12.000 1.00 3.13 C ATOM 1016 CD1 LEU A 103 -7.803 0.231 11.044 1.00 22.24 C ATOM 1017 CD2 LEU A 103 -8.255 2.262 12.458 1.00 30.11 C ATOM 0 H LEU A 103 -7.991 0.945 15.343 1.00 24.22 H new ATOM 0 HA LEU A 103 -7.782 -1.140 13.290 1.00 74.23 H new ATOM 0 HB2 LEU A 103 -6.164 1.349 13.869 1.00 52.32 H new ATOM 0 HB3 LEU A 103 -5.602 0.081 12.799 1.00 52.32 H new ATOM 0 HG LEU A 103 -6.452 1.814 11.455 1.00 3.13 H new ATOM 0 HD11 LEU A 103 -8.299 0.747 10.221 1.00 22.24 H new ATOM 0 HD12 LEU A 103 -7.008 -0.401 10.649 1.00 22.24 H new ATOM 0 HD13 LEU A 103 -8.528 -0.386 11.575 1.00 22.24 H new ATOM 0 HD21 LEU A 103 -8.729 2.715 11.588 1.00 30.11 H new ATOM 0 HD22 LEU A 103 -9.010 1.757 13.060 1.00 30.11 H new ATOM 0 HD23 LEU A 103 -7.774 3.038 13.054 1.00 30.11 H new ATOM 1029 N PRO A 104 -5.784 -2.373 14.393 1.00 62.05 N ATOM 1030 CA PRO A 104 -4.808 -3.179 15.142 1.00 30.11 C ATOM 1031 C PRO A 104 -3.489 -2.416 15.373 1.00 71.13 C ATOM 1032 O PRO A 104 -3.397 -1.199 15.147 1.00 31.24 O ATOM 1033 CB PRO A 104 -4.554 -4.398 14.232 1.00 31.41 C ATOM 1034 CG PRO A 104 -5.649 -4.380 13.227 1.00 30.03 C ATOM 1035 CD PRO A 104 -6.042 -2.946 13.059 1.00 4.33 C ATOM 0 HA PRO A 104 -5.180 -3.442 16.132 1.00 30.11 H new ATOM 0 HB2 PRO A 104 -3.578 -4.331 13.750 1.00 31.41 H new ATOM 0 HB3 PRO A 104 -4.564 -5.325 14.806 1.00 31.41 H new ATOM 0 HG2 PRO A 104 -5.315 -4.805 12.280 1.00 30.03 H new ATOM 0 HG3 PRO A 104 -6.496 -4.978 13.564 1.00 30.03 H new ATOM 0 HD2 PRO A 104 -5.451 -2.453 12.287 1.00 4.33 H new ATOM 0 HD3 PRO A 104 -7.089 -2.845 12.772 1.00 4.33 H new ATOM 1043 N VAL A 105 -2.477 -3.120 15.810 1.00 4.23 N ATOM 1044 CA VAL A 105 -1.195 -2.510 16.050 1.00 43.53 C ATOM 1045 C VAL A 105 -0.470 -2.338 14.686 1.00 1.42 C ATOM 1046 O VAL A 105 -0.988 -2.814 13.659 1.00 12.13 O ATOM 1047 CB VAL A 105 -0.382 -3.360 17.057 1.00 15.13 C ATOM 1048 CG1 VAL A 105 0.261 -4.600 16.430 1.00 64.24 C ATOM 1049 CG2 VAL A 105 0.600 -2.520 17.833 1.00 41.32 C ATOM 0 H VAL A 105 -2.516 -4.120 16.008 1.00 4.23 H new ATOM 0 HA VAL A 105 -1.311 -1.524 16.501 1.00 43.53 H new ATOM 0 HB VAL A 105 -1.102 -3.751 17.776 1.00 15.13 H new ATOM 0 HG11 VAL A 105 0.814 -5.148 17.193 1.00 64.24 H new ATOM 0 HG12 VAL A 105 -0.516 -5.242 16.014 1.00 64.24 H new ATOM 0 HG13 VAL A 105 0.943 -4.294 15.636 1.00 64.24 H new ATOM 0 HG21 VAL A 105 1.151 -3.153 18.529 1.00 41.32 H new ATOM 0 HG22 VAL A 105 1.298 -2.046 17.143 1.00 41.32 H new ATOM 0 HG23 VAL A 105 0.062 -1.752 18.389 1.00 41.32 H new ATOM 1059 N ASP A 106 0.694 -1.702 14.650 1.00 4.52 N ATOM 1060 CA ASP A 106 1.295 -1.349 13.356 1.00 63.20 C ATOM 1061 C ASP A 106 1.963 -2.595 12.753 1.00 42.13 C ATOM 1062 O ASP A 106 2.147 -3.608 13.473 1.00 24.33 O ATOM 1063 CB ASP A 106 2.305 -0.178 13.541 1.00 72.12 C ATOM 1064 CG ASP A 106 2.379 0.758 12.343 1.00 32.33 C ATOM 1065 OD1 ASP A 106 1.305 1.317 11.925 1.00 64.01 O ATOM 1066 OD2 ASP A 106 3.477 0.970 11.840 1.00 61.14 O ATOM 0 H ASP A 106 1.232 -1.424 15.470 1.00 4.52 H new ATOM 0 HA ASP A 106 0.526 -1.008 12.663 1.00 63.20 H new ATOM 0 HB2 ASP A 106 2.024 0.397 14.424 1.00 72.12 H new ATOM 0 HB3 ASP A 106 3.296 -0.591 13.731 1.00 72.12 H new ATOM 1071 N PRO A 107 2.214 -2.623 11.414 1.00 21.43 N ATOM 1072 CA PRO A 107 2.969 -3.685 10.757 1.00 45.12 C ATOM 1073 C PRO A 107 4.288 -4.003 11.451 1.00 53.21 C ATOM 1074 O PRO A 107 4.730 -3.303 12.354 1.00 33.14 O ATOM 1075 CB PRO A 107 3.279 -3.105 9.366 1.00 42.02 C ATOM 1076 CG PRO A 107 2.817 -1.690 9.410 1.00 31.44 C ATOM 1077 CD PRO A 107 1.736 -1.660 10.427 1.00 53.42 C ATOM 0 HA PRO A 107 2.399 -4.614 10.755 1.00 45.12 H new ATOM 0 HB2 PRO A 107 4.345 -3.163 9.146 1.00 42.02 H new ATOM 0 HB3 PRO A 107 2.762 -3.662 8.585 1.00 42.02 H new ATOM 0 HG2 PRO A 107 3.632 -1.019 9.683 1.00 31.44 H new ATOM 0 HG3 PRO A 107 2.450 -1.366 8.436 1.00 31.44 H new ATOM 0 HD2 PRO A 107 1.609 -0.666 10.856 1.00 53.42 H new ATOM 0 HD3 PRO A 107 0.773 -1.952 10.007 1.00 53.42 H new ATOM 1085 N TRP A 108 4.894 -5.084 11.001 1.00 4.32 N ATOM 1086 CA TRP A 108 6.198 -5.608 11.449 1.00 31.35 C ATOM 1087 C TRP A 108 6.123 -6.095 12.899 1.00 10.43 C ATOM 1088 O TRP A 108 7.145 -6.381 13.535 1.00 72.21 O ATOM 1089 CB TRP A 108 7.309 -4.542 11.357 1.00 30.01 C ATOM 1090 CG TRP A 108 7.218 -3.656 10.161 1.00 0.14 C ATOM 1091 CD1 TRP A 108 7.342 -4.004 8.858 1.00 71.40 C ATOM 1092 CD2 TRP A 108 6.974 -2.249 10.190 1.00 3.40 C ATOM 1093 NE1 TRP A 108 7.198 -2.893 8.068 1.00 25.43 N ATOM 1094 CE2 TRP A 108 6.968 -1.801 8.872 1.00 72.13 C ATOM 1095 CE3 TRP A 108 6.758 -1.331 11.221 1.00 24.21 C ATOM 1096 CZ2 TRP A 108 6.760 -0.471 8.550 1.00 61.25 C ATOM 1097 CZ3 TRP A 108 6.543 -0.021 10.908 1.00 70.22 C ATOM 1098 CH2 TRP A 108 6.543 0.407 9.591 1.00 11.25 C ATOM 0 H TRP A 108 4.478 -5.663 10.272 1.00 4.32 H new ATOM 0 HA TRP A 108 6.440 -6.437 10.785 1.00 31.35 H new ATOM 0 HB2 TRP A 108 7.277 -3.924 12.254 1.00 30.01 H new ATOM 0 HB3 TRP A 108 8.277 -5.044 11.349 1.00 30.01 H new ATOM 0 HD1 TRP A 108 7.526 -5.005 8.496 1.00 71.40 H new ATOM 0 HE1 TRP A 108 7.253 -2.879 7.050 1.00 25.43 H new ATOM 0 HE3 TRP A 108 6.761 -1.654 12.251 1.00 24.21 H new ATOM 0 HZ2 TRP A 108 6.767 -0.134 7.524 1.00 61.25 H new ATOM 0 HZ3 TRP A 108 6.370 0.693 11.699 1.00 70.22 H new ATOM 0 HH2 TRP A 108 6.369 1.451 9.375 1.00 11.25 H new ATOM 1109 N GLY A 109 4.913 -6.252 13.388 1.00 50.21 N ATOM 1110 CA GLY A 109 4.673 -6.705 14.751 1.00 33.20 C ATOM 1111 C GLY A 109 5.009 -5.662 15.823 1.00 14.42 C ATOM 1112 O GLY A 109 4.867 -5.939 17.014 1.00 4.53 O ATOM 0 H GLY A 109 4.062 -6.070 12.855 1.00 50.21 H new ATOM 0 HA2 GLY A 109 3.625 -6.988 14.850 1.00 33.20 H new ATOM 0 HA3 GLY A 109 5.264 -7.602 14.934 1.00 33.20 H new ATOM 1116 N ASN A 110 5.481 -4.498 15.410 1.00 2.33 N ATOM 1117 CA ASN A 110 5.831 -3.430 16.316 1.00 35.11 C ATOM 1118 C ASN A 110 4.611 -2.814 16.968 1.00 54.24 C ATOM 1119 O ASN A 110 3.561 -2.575 16.308 1.00 74.34 O ATOM 1120 CB ASN A 110 6.626 -2.321 15.611 1.00 24.45 C ATOM 1121 CG ASN A 110 7.956 -2.774 15.055 1.00 45.11 C ATOM 1122 OD1 ASN A 110 8.584 -3.713 15.552 1.00 21.23 O ATOM 1123 ND2 ASN A 110 8.415 -2.096 14.060 1.00 3.30 N ATOM 0 H ASN A 110 5.631 -4.271 14.427 1.00 2.33 H new ATOM 0 HA ASN A 110 6.453 -3.886 17.086 1.00 35.11 H new ATOM 0 HB2 ASN A 110 6.023 -1.917 14.798 1.00 24.45 H new ATOM 0 HB3 ASN A 110 6.797 -1.507 16.316 1.00 24.45 H new ATOM 0 HD21 ASN A 110 9.323 -2.330 13.659 1.00 3.30 H new ATOM 0 HD22 ASN A 110 7.870 -1.326 13.673 1.00 3.30 H new ATOM 1130 N PRO A 111 4.698 -2.588 18.279 1.00 73.43 N ATOM 1131 CA PRO A 111 3.674 -1.902 19.001 1.00 30.31 C ATOM 1132 C PRO A 111 3.814 -0.413 18.807 1.00 31.32 C ATOM 1133 O PRO A 111 4.891 0.069 18.506 1.00 3.13 O ATOM 1134 CB PRO A 111 3.949 -2.279 20.455 1.00 30.13 C ATOM 1135 CG PRO A 111 5.422 -2.464 20.513 1.00 32.34 C ATOM 1136 CD PRO A 111 5.821 -2.997 19.164 1.00 23.32 C ATOM 0 HA PRO A 111 2.667 -2.167 18.677 1.00 30.31 H new ATOM 0 HB2 PRO A 111 3.619 -1.496 21.138 1.00 30.13 H new ATOM 0 HB3 PRO A 111 3.422 -3.191 20.736 1.00 30.13 H new ATOM 0 HG2 PRO A 111 5.926 -1.522 20.726 1.00 32.34 H new ATOM 0 HG3 PRO A 111 5.698 -3.159 21.306 1.00 32.34 H new ATOM 0 HD2 PRO A 111 6.769 -2.574 18.830 1.00 23.32 H new ATOM 0 HD3 PRO A 111 5.944 -4.080 19.181 1.00 23.32 H new ATOM 1144 N TYR A 112 2.744 0.314 18.933 1.00 53.31 N ATOM 1145 CA TYR A 112 2.874 1.731 18.898 1.00 40.04 C ATOM 1146 C TYR A 112 3.470 2.167 20.209 1.00 14.32 C ATOM 1147 O TYR A 112 3.161 1.600 21.270 1.00 62.13 O ATOM 1148 CB TYR A 112 1.554 2.461 18.641 1.00 55.24 C ATOM 1149 CG TYR A 112 0.971 2.298 17.246 1.00 40.12 C ATOM 1150 CD1 TYR A 112 1.391 3.114 16.199 1.00 63.44 C ATOM 1151 CD2 TYR A 112 -0.029 1.373 16.990 1.00 65.31 C ATOM 1152 CE1 TYR A 112 0.829 3.012 14.936 1.00 20.21 C ATOM 1153 CE2 TYR A 112 -0.589 1.256 15.733 1.00 41.33 C ATOM 1154 CZ TYR A 112 -0.167 2.074 14.709 1.00 34.21 C ATOM 1155 OH TYR A 112 -0.761 1.959 13.462 1.00 73.31 O ATOM 0 H TYR A 112 1.797 -0.043 19.058 1.00 53.31 H new ATOM 0 HA TYR A 112 3.517 1.995 18.059 1.00 40.04 H new ATOM 0 HB2 TYR A 112 0.819 2.110 19.365 1.00 55.24 H new ATOM 0 HB3 TYR A 112 1.705 3.524 18.830 1.00 55.24 H new ATOM 0 HD1 TYR A 112 2.170 3.841 16.374 1.00 63.44 H new ATOM 0 HD2 TYR A 112 -0.376 0.733 17.787 1.00 65.31 H new ATOM 0 HE1 TYR A 112 1.163 3.657 14.137 1.00 20.21 H new ATOM 0 HE2 TYR A 112 -1.360 0.521 15.553 1.00 41.33 H new ATOM 0 HH TYR A 112 -0.133 1.539 12.838 1.00 73.31 H new ATOM 1165 N GLN A 113 4.293 3.136 20.157 1.00 12.11 N ATOM 1166 CA GLN A 113 4.941 3.616 21.331 1.00 74.34 C ATOM 1167 C GLN A 113 4.199 4.866 21.689 1.00 15.45 C ATOM 1168 O GLN A 113 4.207 5.865 20.936 1.00 5.02 O ATOM 1169 CB GLN A 113 6.418 4.021 21.081 1.00 64.44 C ATOM 1170 CG GLN A 113 7.170 3.331 19.931 1.00 54.35 C ATOM 1171 CD GLN A 113 7.274 1.819 19.992 1.00 2.12 C ATOM 1172 OE1 GLN A 113 7.366 1.167 18.944 1.00 22.20 O ATOM 1173 NE2 GLN A 113 7.286 1.257 21.179 1.00 62.40 N ATOM 0 H GLN A 113 4.545 3.629 19.300 1.00 12.11 H new ATOM 0 HA GLN A 113 4.940 2.839 22.095 1.00 74.34 H new ATOM 0 HB2 GLN A 113 6.444 5.096 20.900 1.00 64.44 H new ATOM 0 HB3 GLN A 113 6.974 3.839 22.001 1.00 64.44 H new ATOM 0 HG2 GLN A 113 6.681 3.600 18.995 1.00 54.35 H new ATOM 0 HG3 GLN A 113 8.180 3.740 19.892 1.00 54.35 H new ATOM 0 HE21 GLN A 113 7.208 1.833 22.017 1.00 62.40 H new ATOM 0 HE22 GLN A 113 7.374 0.244 21.263 1.00 62.40 H new ATOM 1182 N TYR A 114 3.543 4.811 22.795 1.00 42.13 N ATOM 1183 CA TYR A 114 2.716 5.883 23.218 1.00 54.52 C ATOM 1184 C TYR A 114 3.382 6.722 24.272 1.00 24.04 C ATOM 1185 O TYR A 114 3.737 6.236 25.350 1.00 40.51 O ATOM 1186 CB TYR A 114 1.342 5.345 23.694 1.00 22.30 C ATOM 1187 CG TYR A 114 1.351 3.938 24.340 1.00 63.25 C ATOM 1188 CD1 TYR A 114 2.072 3.647 25.495 1.00 52.42 C ATOM 1189 CD2 TYR A 114 0.609 2.913 23.774 1.00 22.25 C ATOM 1190 CE1 TYR A 114 2.050 2.372 26.051 1.00 61.42 C ATOM 1191 CE2 TYR A 114 0.571 1.644 24.327 1.00 70.32 C ATOM 1192 CZ TYR A 114 1.289 1.379 25.461 1.00 13.51 C ATOM 1193 OH TYR A 114 1.273 0.103 25.996 1.00 5.23 O ATOM 0 H TYR A 114 3.566 4.016 23.434 1.00 42.13 H new ATOM 0 HA TYR A 114 2.548 6.538 22.363 1.00 54.52 H new ATOM 0 HB2 TYR A 114 0.927 6.051 24.414 1.00 22.30 H new ATOM 0 HB3 TYR A 114 0.666 5.326 22.840 1.00 22.30 H new ATOM 0 HD1 TYR A 114 2.657 4.423 25.966 1.00 52.42 H new ATOM 0 HD2 TYR A 114 0.044 3.110 22.875 1.00 22.25 H new ATOM 0 HE1 TYR A 114 2.625 2.158 26.940 1.00 61.42 H new ATOM 0 HE2 TYR A 114 -0.022 0.868 23.866 1.00 70.32 H new ATOM 0 HH TYR A 114 0.686 -0.470 25.459 1.00 5.23 H new ATOM 1203 N LEU A 115 3.584 7.962 23.943 1.00 55.13 N ATOM 1204 CA LEU A 115 4.090 8.925 24.852 1.00 0.42 C ATOM 1205 C LEU A 115 3.201 10.133 24.838 1.00 22.13 C ATOM 1206 O LEU A 115 2.663 10.525 23.796 1.00 11.41 O ATOM 1207 CB LEU A 115 5.528 9.318 24.511 1.00 54.15 C ATOM 1208 CG LEU A 115 6.606 8.264 24.723 1.00 23.03 C ATOM 1209 CD1 LEU A 115 7.943 8.777 24.228 1.00 62.03 C ATOM 1210 CD2 LEU A 115 6.702 7.903 26.190 1.00 50.44 C ATOM 0 H LEU A 115 3.395 8.333 23.012 1.00 55.13 H new ATOM 0 HA LEU A 115 4.101 8.487 25.850 1.00 0.42 H new ATOM 0 HB2 LEU A 115 5.556 9.624 23.465 1.00 54.15 H new ATOM 0 HB3 LEU A 115 5.789 10.193 25.106 1.00 54.15 H new ATOM 0 HG LEU A 115 6.338 7.372 24.157 1.00 23.03 H new ATOM 0 HD11 LEU A 115 8.706 8.015 24.385 1.00 62.03 H new ATOM 0 HD12 LEU A 115 7.873 9.007 23.165 1.00 62.03 H new ATOM 0 HD13 LEU A 115 8.213 9.679 24.778 1.00 62.03 H new ATOM 0 HD21 LEU A 115 7.476 7.148 26.329 1.00 50.44 H new ATOM 0 HD22 LEU A 115 6.954 8.792 26.768 1.00 50.44 H new ATOM 0 HD23 LEU A 115 5.745 7.508 26.531 1.00 50.44 H new ATOM 1222 N ALA A 116 3.049 10.715 25.961 1.00 75.21 N ATOM 1223 CA ALA A 116 2.316 11.903 26.099 1.00 21.44 C ATOM 1224 C ALA A 116 3.381 12.999 26.192 1.00 65.41 C ATOM 1225 O ALA A 116 4.544 12.614 26.064 1.00 74.31 O ATOM 1226 CB ALA A 116 1.383 11.774 27.270 1.00 34.15 C ATOM 0 H ALA A 116 3.444 10.366 26.835 1.00 75.21 H new ATOM 0 HA ALA A 116 1.649 12.145 25.271 1.00 21.44 H new ATOM 0 HB1 ALA A 116 0.810 12.695 27.382 1.00 34.15 H new ATOM 0 HB2 ALA A 116 0.701 10.941 27.102 1.00 34.15 H new ATOM 0 HB3 ALA A 116 1.960 11.593 28.177 1.00 34.15 H new ATOM 1232 N PRO A 117 3.078 14.335 26.398 1.00 2.43 N ATOM 1233 CA PRO A 117 4.090 15.393 26.226 1.00 32.10 C ATOM 1234 C PRO A 117 5.380 15.083 26.909 1.00 31.12 C ATOM 1235 O PRO A 117 5.470 15.069 28.158 1.00 4.22 O ATOM 1236 CB PRO A 117 3.452 16.665 26.803 1.00 34.03 C ATOM 1237 CG PRO A 117 2.260 16.191 27.560 1.00 11.33 C ATOM 1238 CD PRO A 117 1.837 14.889 26.920 1.00 53.32 C ATOM 0 HA PRO A 117 4.353 15.501 25.174 1.00 32.10 H new ATOM 0 HB2 PRO A 117 4.148 17.195 27.454 1.00 34.03 H new ATOM 0 HB3 PRO A 117 3.167 17.357 26.011 1.00 34.03 H new ATOM 0 HG2 PRO A 117 2.501 16.046 28.613 1.00 11.33 H new ATOM 0 HG3 PRO A 117 1.455 16.925 27.516 1.00 11.33 H new ATOM 0 HD2 PRO A 117 1.375 14.219 27.645 1.00 53.32 H new ATOM 0 HD3 PRO A 117 1.108 15.052 26.127 1.00 53.32 H new ATOM 1246 N GLY A 118 6.359 14.791 26.104 1.00 42.03 N ATOM 1247 CA GLY A 118 7.606 14.382 26.606 1.00 53.35 C ATOM 1248 C GLY A 118 8.622 15.423 26.466 1.00 11.55 C ATOM 1249 O GLY A 118 8.826 16.241 27.378 1.00 25.53 O ATOM 0 H GLY A 118 6.301 14.834 25.087 1.00 42.03 H new ATOM 0 HA2 GLY A 118 7.503 14.115 27.658 1.00 53.35 H new ATOM 0 HA3 GLY A 118 7.932 13.485 26.080 1.00 53.35 H new ATOM 1253 N THR A 119 9.245 15.461 25.344 1.00 41.20 N ATOM 1254 CA THR A 119 10.276 16.403 25.182 1.00 44.50 C ATOM 1255 C THR A 119 9.739 17.639 24.489 1.00 45.22 C ATOM 1256 O THR A 119 9.588 17.676 23.266 1.00 63.01 O ATOM 1257 CB THR A 119 11.448 15.825 24.397 1.00 62.53 C ATOM 1258 OG1 THR A 119 11.657 14.457 24.807 1.00 51.31 O ATOM 1259 CG2 THR A 119 12.722 16.611 24.688 1.00 40.42 C ATOM 0 H THR A 119 9.060 14.860 24.541 1.00 41.20 H new ATOM 0 HA THR A 119 10.644 16.673 26.172 1.00 44.50 H new ATOM 0 HB THR A 119 11.221 15.882 23.333 1.00 62.53 H new ATOM 0 HG1 THR A 119 12.408 14.076 24.306 1.00 51.31 H new ATOM 0 HG21 THR A 119 13.550 16.186 24.120 1.00 40.42 H new ATOM 0 HG22 THR A 119 12.581 17.653 24.399 1.00 40.42 H new ATOM 0 HG23 THR A 119 12.947 16.557 25.753 1.00 40.42 H new ATOM 1267 N LYS A 120 9.382 18.607 25.305 1.00 73.23 N ATOM 1268 CA LYS A 120 8.997 19.965 24.898 1.00 13.11 C ATOM 1269 C LYS A 120 7.683 20.045 24.085 1.00 33.44 C ATOM 1270 O LYS A 120 7.287 21.148 23.671 1.00 51.13 O ATOM 1271 CB LYS A 120 10.156 20.642 24.122 1.00 45.44 C ATOM 1272 CG LYS A 120 11.524 20.516 24.801 1.00 43.41 C ATOM 1273 CD LYS A 120 11.521 21.110 26.208 1.00 44.35 C ATOM 1274 CE LYS A 120 12.854 20.906 26.909 1.00 3.34 C ATOM 1275 NZ LYS A 120 12.842 21.406 28.310 1.00 42.04 N ATOM 0 H LYS A 120 9.347 18.476 26.316 1.00 73.23 H new ATOM 0 HA LYS A 120 8.799 20.504 25.824 1.00 13.11 H new ATOM 0 HB2 LYS A 120 10.216 20.204 23.126 1.00 45.44 H new ATOM 0 HB3 LYS A 120 9.923 21.699 23.992 1.00 45.44 H new ATOM 0 HG2 LYS A 120 11.808 19.465 24.852 1.00 43.41 H new ATOM 0 HG3 LYS A 120 12.277 21.021 24.196 1.00 43.41 H new ATOM 0 HD2 LYS A 120 11.299 22.176 26.152 1.00 44.35 H new ATOM 0 HD3 LYS A 120 10.727 20.649 26.796 1.00 44.35 H new ATOM 0 HE2 LYS A 120 13.103 19.845 26.907 1.00 3.34 H new ATOM 0 HE3 LYS A 120 13.637 21.418 26.350 1.00 3.34 H new ATOM 0 HZ1 LYS A 120 13.773 21.244 28.744 1.00 42.04 H new ATOM 0 HZ2 LYS A 120 12.631 22.424 28.313 1.00 42.04 H new ATOM 0 HZ3 LYS A 120 12.114 20.900 28.853 1.00 42.04 H new ATOM 1289 N GLY A 121 6.976 18.935 23.900 1.00 11.33 N ATOM 1290 CA GLY A 121 5.814 18.988 23.052 1.00 70.42 C ATOM 1291 C GLY A 121 4.654 18.199 23.558 1.00 44.41 C ATOM 1292 O GLY A 121 4.866 17.158 24.158 1.00 23.10 O ATOM 0 H GLY A 121 7.184 18.025 24.312 1.00 11.33 H new ATOM 0 HA2 GLY A 121 5.509 20.028 22.936 1.00 70.42 H new ATOM 0 HA3 GLY A 121 6.084 18.623 22.061 1.00 70.42 H new ATOM 1296 N PRO A 122 3.404 18.726 23.313 1.00 12.31 N ATOM 1297 CA PRO A 122 2.088 18.148 23.713 1.00 12.25 C ATOM 1298 C PRO A 122 1.914 16.627 23.627 1.00 25.31 C ATOM 1299 O PRO A 122 1.071 16.098 24.344 1.00 35.54 O ATOM 1300 CB PRO A 122 1.116 18.834 22.775 1.00 53.04 C ATOM 1301 CG PRO A 122 1.688 20.189 22.605 1.00 33.44 C ATOM 1302 CD PRO A 122 3.185 20.016 22.616 1.00 54.42 C ATOM 0 HA PRO A 122 1.944 18.320 24.780 1.00 12.25 H new ATOM 0 HB2 PRO A 122 1.041 18.309 21.823 1.00 53.04 H new ATOM 0 HB3 PRO A 122 0.112 18.873 23.198 1.00 53.04 H new ATOM 0 HG2 PRO A 122 1.355 20.638 21.669 1.00 33.44 H new ATOM 0 HG3 PRO A 122 1.366 20.851 23.409 1.00 33.44 H new ATOM 0 HD2 PRO A 122 3.590 19.994 21.604 1.00 54.42 H new ATOM 0 HD3 PRO A 122 3.676 20.838 23.138 1.00 54.42 H new ATOM 1310 N PHE A 123 2.641 15.941 22.746 1.00 63.11 N ATOM 1311 CA PHE A 123 2.620 14.465 22.708 1.00 31.22 C ATOM 1312 C PHE A 123 3.647 13.910 21.738 1.00 11.44 C ATOM 1313 O PHE A 123 3.928 14.523 20.687 1.00 23.41 O ATOM 1314 CB PHE A 123 1.201 13.840 22.468 1.00 51.45 C ATOM 1315 CG PHE A 123 0.501 14.207 21.170 1.00 62.30 C ATOM 1316 CD1 PHE A 123 0.819 13.556 19.984 1.00 54.22 C ATOM 1317 CD2 PHE A 123 -0.494 15.188 21.144 1.00 45.43 C ATOM 1318 CE1 PHE A 123 0.175 13.870 18.806 1.00 23.14 C ATOM 1319 CE2 PHE A 123 -1.143 15.499 19.965 1.00 74.30 C ATOM 1320 CZ PHE A 123 -0.808 14.841 18.795 1.00 72.30 C ATOM 0 H PHE A 123 3.250 16.372 22.051 1.00 63.11 H new ATOM 0 HA PHE A 123 2.901 14.156 23.715 1.00 31.22 H new ATOM 0 HB2 PHE A 123 1.297 12.755 22.507 1.00 51.45 H new ATOM 0 HB3 PHE A 123 0.556 14.133 23.296 1.00 51.45 H new ATOM 0 HD1 PHE A 123 1.583 12.792 19.985 1.00 54.22 H new ATOM 0 HD2 PHE A 123 -0.758 15.707 22.053 1.00 45.43 H new ATOM 0 HE1 PHE A 123 0.439 13.357 17.893 1.00 23.14 H new ATOM 0 HE2 PHE A 123 -1.913 16.257 19.956 1.00 74.30 H new ATOM 0 HZ PHE A 123 -1.315 15.086 17.873 1.00 72.30 H new ATOM 1330 N ASP A 124 4.190 12.755 22.084 1.00 23.43 N ATOM 1331 CA ASP A 124 5.206 12.085 21.275 1.00 41.34 C ATOM 1332 C ASP A 124 4.624 10.730 20.849 1.00 62.55 C ATOM 1333 O ASP A 124 4.496 9.822 21.666 1.00 13.20 O ATOM 1334 CB ASP A 124 6.522 11.825 22.095 1.00 22.44 C ATOM 1335 CG ASP A 124 7.254 13.063 22.687 1.00 62.25 C ATOM 1336 OD1 ASP A 124 6.654 13.844 23.452 1.00 33.13 O ATOM 1337 OD2 ASP A 124 8.488 13.215 22.446 1.00 33.01 O ATOM 0 H ASP A 124 3.941 12.251 22.935 1.00 23.43 H new ATOM 0 HA ASP A 124 5.460 12.715 20.423 1.00 41.34 H new ATOM 0 HB2 ASP A 124 6.279 11.153 22.918 1.00 22.44 H new ATOM 0 HB3 ASP A 124 7.223 11.297 21.448 1.00 22.44 H new ATOM 1342 N LEU A 125 4.245 10.572 19.598 1.00 5.12 N ATOM 1343 CA LEU A 125 3.609 9.328 19.207 1.00 72.00 C ATOM 1344 C LEU A 125 4.296 8.731 17.987 1.00 25.55 C ATOM 1345 O LEU A 125 4.451 9.407 16.972 1.00 45.14 O ATOM 1346 CB LEU A 125 2.111 9.605 18.953 1.00 1.33 C ATOM 1347 CG LEU A 125 1.147 8.411 18.788 1.00 44.43 C ATOM 1348 CD1 LEU A 125 1.344 7.653 17.479 1.00 22.33 C ATOM 1349 CD2 LEU A 125 1.233 7.468 19.982 1.00 52.43 C ATOM 0 H LEU A 125 4.360 11.262 18.856 1.00 5.12 H new ATOM 0 HA LEU A 125 3.701 8.590 20.004 1.00 72.00 H new ATOM 0 HB2 LEU A 125 1.744 10.213 19.780 1.00 1.33 H new ATOM 0 HB3 LEU A 125 2.037 10.215 18.052 1.00 1.33 H new ATOM 0 HG LEU A 125 0.144 8.835 18.748 1.00 44.43 H new ATOM 0 HD11 LEU A 125 0.635 6.827 17.427 1.00 22.33 H new ATOM 0 HD12 LEU A 125 1.177 8.328 16.639 1.00 22.33 H new ATOM 0 HD13 LEU A 125 2.361 7.262 17.434 1.00 22.33 H new ATOM 0 HD21 LEU A 125 0.543 6.636 19.839 1.00 52.43 H new ATOM 0 HD22 LEU A 125 2.250 7.085 20.071 1.00 52.43 H new ATOM 0 HD23 LEU A 125 0.967 8.007 20.891 1.00 52.43 H new ATOM 1361 N TYR A 126 4.655 7.446 18.065 1.00 73.24 N ATOM 1362 CA TYR A 126 5.352 6.776 16.963 1.00 12.22 C ATOM 1363 C TYR A 126 5.328 5.275 17.132 1.00 11.00 C ATOM 1364 O TYR A 126 4.935 4.792 18.151 1.00 72.25 O ATOM 1365 CB TYR A 126 6.819 7.284 16.806 1.00 52.13 C ATOM 1366 CG TYR A 126 7.746 7.079 18.010 1.00 55.15 C ATOM 1367 CD1 TYR A 126 7.690 7.933 19.104 1.00 60.52 C ATOM 1368 CD2 TYR A 126 8.700 6.054 18.031 1.00 3.35 C ATOM 1369 CE1 TYR A 126 8.539 7.780 20.181 1.00 24.41 C ATOM 1370 CE2 TYR A 126 9.556 5.904 19.102 1.00 30.32 C ATOM 1371 CZ TYR A 126 9.470 6.769 20.176 1.00 32.21 C ATOM 1372 OH TYR A 126 10.333 6.627 21.247 1.00 1.13 O ATOM 0 H TYR A 126 4.476 6.852 18.875 1.00 73.24 H new ATOM 0 HA TYR A 126 4.814 7.029 16.049 1.00 12.22 H new ATOM 0 HB2 TYR A 126 7.263 6.785 15.945 1.00 52.13 H new ATOM 0 HB3 TYR A 126 6.789 8.349 16.576 1.00 52.13 H new ATOM 0 HD1 TYR A 126 6.966 8.734 19.112 1.00 60.52 H new ATOM 0 HD2 TYR A 126 8.766 5.371 17.197 1.00 3.35 H new ATOM 0 HE1 TYR A 126 8.472 8.452 21.024 1.00 24.41 H new ATOM 0 HE2 TYR A 126 10.291 5.113 19.101 1.00 30.32 H new ATOM 0 HH TYR A 126 11.147 6.168 20.952 1.00 1.13 H new ATOM 1382 N SER A 127 5.669 4.580 16.096 1.00 63.11 N ATOM 1383 CA SER A 127 5.850 3.155 16.099 1.00 13.33 C ATOM 1384 C SER A 127 7.248 2.919 15.560 1.00 32.44 C ATOM 1385 O SER A 127 7.684 3.652 14.665 1.00 45.42 O ATOM 1386 CB SER A 127 4.795 2.485 15.200 1.00 25.32 C ATOM 1387 OG SER A 127 4.899 1.076 15.201 1.00 42.32 O ATOM 0 H SER A 127 5.837 5.003 15.183 1.00 63.11 H new ATOM 0 HA SER A 127 5.733 2.730 17.096 1.00 13.33 H new ATOM 0 HB2 SER A 127 3.799 2.773 15.537 1.00 25.32 H new ATOM 0 HB3 SER A 127 4.905 2.853 14.180 1.00 25.32 H new ATOM 0 HG SER A 127 4.909 0.748 14.278 1.00 42.32 H new ATOM 1393 N LEU A 128 7.968 1.985 16.128 1.00 1.43 N ATOM 1394 CA LEU A 128 9.320 1.673 15.665 1.00 74.12 C ATOM 1395 C LEU A 128 9.383 1.191 14.214 1.00 43.34 C ATOM 1396 O LEU A 128 8.407 0.668 13.674 1.00 64.31 O ATOM 1397 CB LEU A 128 9.963 0.651 16.585 1.00 72.31 C ATOM 1398 CG LEU A 128 10.933 1.216 17.639 1.00 50.10 C ATOM 1399 CD1 LEU A 128 10.316 2.329 18.461 1.00 1.43 C ATOM 1400 CD2 LEU A 128 11.424 0.114 18.538 1.00 33.52 C ATOM 0 H LEU A 128 7.650 1.419 16.915 1.00 1.43 H new ATOM 0 HA LEU A 128 9.876 2.610 15.696 1.00 74.12 H new ATOM 0 HB2 LEU A 128 9.172 0.106 17.101 1.00 72.31 H new ATOM 0 HB3 LEU A 128 10.502 -0.073 15.973 1.00 72.31 H new ATOM 0 HG LEU A 128 11.775 1.648 17.099 1.00 50.10 H new ATOM 0 HD11 LEU A 128 11.043 2.690 19.188 1.00 1.43 H new ATOM 0 HD12 LEU A 128 10.023 3.147 17.803 1.00 1.43 H new ATOM 0 HD13 LEU A 128 9.437 1.951 18.984 1.00 1.43 H new ATOM 0 HD21 LEU A 128 12.109 0.527 19.279 1.00 33.52 H new ATOM 0 HD22 LEU A 128 10.576 -0.347 19.045 1.00 33.52 H new ATOM 0 HD23 LEU A 128 11.943 -0.637 17.943 1.00 33.52 H new ATOM 1412 N GLY A 129 10.555 1.384 13.592 1.00 71.41 N ATOM 1413 CA GLY A 129 10.789 0.896 12.243 1.00 3.35 C ATOM 1414 C GLY A 129 10.775 -0.594 12.210 1.00 2.32 C ATOM 1415 O GLY A 129 10.924 -1.240 13.255 1.00 61.40 O ATOM 0 H GLY A 129 11.347 1.874 14.007 1.00 71.41 H new ATOM 0 HA2 GLY A 129 10.024 1.286 11.572 1.00 3.35 H new ATOM 0 HA3 GLY A 129 11.749 1.263 11.880 1.00 3.35 H new ATOM 1419 N ALA A 130 10.673 -1.135 11.029 1.00 22.43 N ATOM 1420 CA ALA A 130 10.501 -2.564 10.796 1.00 3.03 C ATOM 1421 C ALA A 130 11.509 -3.487 11.503 1.00 44.22 C ATOM 1422 O ALA A 130 11.220 -4.674 11.726 1.00 65.10 O ATOM 1423 CB ALA A 130 10.505 -2.825 9.324 1.00 44.14 C ATOM 0 H ALA A 130 10.707 -0.588 10.168 1.00 22.43 H new ATOM 0 HA ALA A 130 9.542 -2.818 11.248 1.00 3.03 H new ATOM 0 HB1 ALA A 130 10.377 -3.892 9.143 1.00 44.14 H new ATOM 0 HB2 ALA A 130 9.688 -2.277 8.855 1.00 44.14 H new ATOM 0 HB3 ALA A 130 11.453 -2.496 8.899 1.00 44.14 H new ATOM 1429 N ASP A 131 12.674 -2.990 11.838 1.00 63.02 N ATOM 1430 CA ASP A 131 13.666 -3.828 12.486 1.00 12.52 C ATOM 1431 C ASP A 131 13.749 -3.545 13.983 1.00 53.22 C ATOM 1432 O ASP A 131 14.494 -4.203 14.705 1.00 23.32 O ATOM 1433 CB ASP A 131 15.032 -3.669 11.838 1.00 74.02 C ATOM 1434 CG ASP A 131 15.714 -2.381 12.180 1.00 2.43 C ATOM 1435 OD1 ASP A 131 15.100 -1.294 12.059 1.00 11.34 O ATOM 1436 OD2 ASP A 131 16.897 -2.424 12.588 1.00 12.31 O ATOM 0 H ASP A 131 12.961 -2.024 11.678 1.00 63.02 H new ATOM 0 HA ASP A 131 13.345 -4.862 12.357 1.00 12.52 H new ATOM 0 HB2 ASP A 131 15.668 -4.499 12.144 1.00 74.02 H new ATOM 0 HB3 ASP A 131 14.921 -3.735 10.756 1.00 74.02 H new ATOM 1441 N GLY A 132 12.972 -2.599 14.452 1.00 72.22 N ATOM 1442 CA GLY A 132 12.950 -2.302 15.870 1.00 24.30 C ATOM 1443 C GLY A 132 13.884 -1.175 16.275 1.00 4.12 C ATOM 1444 O GLY A 132 14.522 -1.235 17.337 1.00 41.10 O ATOM 0 H GLY A 132 12.351 -2.025 13.882 1.00 72.22 H new ATOM 0 HA2 GLY A 132 11.933 -2.041 16.161 1.00 24.30 H new ATOM 0 HA3 GLY A 132 13.219 -3.201 16.424 1.00 24.30 H new ATOM 1448 N LYS A 133 13.979 -0.155 15.451 1.00 55.43 N ATOM 1449 CA LYS A 133 14.797 1.005 15.775 1.00 22.23 C ATOM 1450 C LYS A 133 13.992 2.253 15.567 1.00 24.41 C ATOM 1451 O LYS A 133 13.097 2.280 14.709 1.00 33.40 O ATOM 1452 CB LYS A 133 16.019 1.147 14.860 1.00 72.11 C ATOM 1453 CG LYS A 133 16.928 -0.052 14.730 1.00 24.53 C ATOM 1454 CD LYS A 133 18.219 0.322 13.984 1.00 71.31 C ATOM 1455 CE LYS A 133 17.968 1.008 12.628 1.00 35.22 C ATOM 1456 NZ LYS A 133 17.310 0.135 11.639 1.00 63.32 N ATOM 0 H LYS A 133 13.502 -0.100 14.551 1.00 55.43 H new ATOM 0 HA LYS A 133 15.122 0.867 16.806 1.00 22.23 H new ATOM 0 HB2 LYS A 133 15.666 1.412 13.864 1.00 72.11 H new ATOM 0 HB3 LYS A 133 16.615 1.985 15.221 1.00 72.11 H new ATOM 0 HG2 LYS A 133 17.173 -0.438 15.720 1.00 24.53 H new ATOM 0 HG3 LYS A 133 16.412 -0.850 14.196 1.00 24.53 H new ATOM 0 HD2 LYS A 133 18.814 0.985 14.613 1.00 71.31 H new ATOM 0 HD3 LYS A 133 18.810 -0.579 13.822 1.00 71.31 H new ATOM 0 HE2 LYS A 133 17.352 1.893 12.786 1.00 35.22 H new ATOM 0 HE3 LYS A 133 18.920 1.351 12.222 1.00 35.22 H new ATOM 0 HZ1 LYS A 133 17.398 0.555 10.692 1.00 63.32 H new ATOM 0 HZ2 LYS A 133 17.764 -0.801 11.646 1.00 63.32 H new ATOM 0 HZ3 LYS A 133 16.304 0.034 11.881 1.00 63.32 H new ATOM 1470 N GLU A 134 14.254 3.261 16.354 1.00 74.01 N ATOM 1471 CA GLU A 134 13.724 4.541 16.043 1.00 1.53 C ATOM 1472 C GLU A 134 14.860 5.359 15.419 1.00 20.14 C ATOM 1473 O GLU A 134 15.844 5.729 16.085 1.00 51.23 O ATOM 1474 CB GLU A 134 13.064 5.248 17.253 1.00 3.40 C ATOM 1475 CG GLU A 134 13.968 5.543 18.429 1.00 70.42 C ATOM 1476 CD GLU A 134 13.304 6.434 19.437 1.00 31.53 C ATOM 1477 OE1 GLU A 134 13.366 7.683 19.279 1.00 62.05 O ATOM 1478 OE2 GLU A 134 12.720 5.919 20.406 1.00 62.12 O ATOM 0 H GLU A 134 14.823 3.214 17.200 1.00 74.01 H new ATOM 0 HA GLU A 134 12.902 4.435 15.335 1.00 1.53 H new ATOM 0 HB2 GLU A 134 12.634 6.188 16.908 1.00 3.40 H new ATOM 0 HB3 GLU A 134 12.238 4.629 17.603 1.00 3.40 H new ATOM 0 HG2 GLU A 134 14.258 4.607 18.907 1.00 70.42 H new ATOM 0 HG3 GLU A 134 14.883 6.016 18.073 1.00 70.42 H new ATOM 1485 N GLY A 135 14.781 5.525 14.142 1.00 54.33 N ATOM 1486 CA GLY A 135 15.791 6.224 13.407 1.00 31.50 C ATOM 1487 C GLY A 135 15.201 6.871 12.199 1.00 53.15 C ATOM 1488 O GLY A 135 13.983 6.842 12.025 1.00 12.11 O ATOM 0 H GLY A 135 14.010 5.179 13.571 1.00 54.33 H new ATOM 0 HA2 GLY A 135 16.255 6.979 14.042 1.00 31.50 H new ATOM 0 HA3 GLY A 135 16.578 5.531 13.109 1.00 31.50 H new ATOM 1492 N GLY A 136 16.043 7.438 11.370 1.00 33.11 N ATOM 1493 CA GLY A 136 15.595 7.996 10.123 1.00 45.33 C ATOM 1494 C GLY A 136 15.924 7.043 8.989 1.00 1.21 C ATOM 1495 O GLY A 136 17.070 6.568 8.877 1.00 13.10 O ATOM 0 H GLY A 136 17.045 7.524 11.539 1.00 33.11 H new ATOM 0 HA2 GLY A 136 14.521 8.176 10.159 1.00 45.33 H new ATOM 0 HA3 GLY A 136 16.074 8.960 9.952 1.00 45.33 H new ATOM 1499 N SER A 137 14.932 6.763 8.179 1.00 64.05 N ATOM 1500 CA SER A 137 14.965 5.767 7.126 1.00 54.52 C ATOM 1501 C SER A 137 13.586 5.787 6.456 1.00 70.11 C ATOM 1502 O SER A 137 12.749 6.624 6.799 1.00 61.44 O ATOM 1503 CB SER A 137 15.261 4.364 7.742 1.00 70.22 C ATOM 1504 OG SER A 137 15.232 3.319 6.781 1.00 13.31 O ATOM 0 H SER A 137 14.035 7.245 8.236 1.00 64.05 H new ATOM 0 HA SER A 137 15.746 5.979 6.396 1.00 54.52 H new ATOM 0 HB2 SER A 137 16.240 4.383 8.221 1.00 70.22 H new ATOM 0 HB3 SER A 137 14.529 4.154 8.522 1.00 70.22 H new ATOM 0 HG SER A 137 16.045 2.777 6.862 1.00 13.31 H new ATOM 1510 N ASP A 138 13.367 4.945 5.492 1.00 15.22 N ATOM 1511 CA ASP A 138 12.048 4.811 4.910 1.00 34.03 C ATOM 1512 C ASP A 138 11.249 3.802 5.706 1.00 74.35 C ATOM 1513 O ASP A 138 10.313 4.149 6.422 1.00 11.02 O ATOM 1514 CB ASP A 138 12.101 4.384 3.431 1.00 2.15 C ATOM 1515 CG ASP A 138 12.366 5.507 2.473 1.00 53.00 C ATOM 1516 OD1 ASP A 138 11.411 6.223 2.101 1.00 31.14 O ATOM 1517 OD2 ASP A 138 13.528 5.702 2.062 1.00 10.55 O ATOM 0 H ASP A 138 14.078 4.337 5.086 1.00 15.22 H new ATOM 0 HA ASP A 138 11.568 5.789 4.947 1.00 34.03 H new ATOM 0 HB2 ASP A 138 12.878 3.629 3.311 1.00 2.15 H new ATOM 0 HB3 ASP A 138 11.154 3.913 3.167 1.00 2.15 H new ATOM 1522 N ASN A 139 11.688 2.573 5.636 1.00 51.44 N ATOM 1523 CA ASN A 139 11.007 1.439 6.259 1.00 53.53 C ATOM 1524 C ASN A 139 11.559 1.138 7.656 1.00 74.43 C ATOM 1525 O ASN A 139 10.838 0.686 8.549 1.00 43.35 O ATOM 1526 CB ASN A 139 11.185 0.220 5.345 1.00 42.02 C ATOM 1527 CG ASN A 139 10.657 -1.080 5.907 1.00 41.01 C ATOM 1528 OD1 ASN A 139 9.504 -1.451 5.702 1.00 10.15 O ATOM 1529 ND2 ASN A 139 11.482 -1.776 6.626 1.00 21.32 N ATOM 0 H ASN A 139 12.541 2.314 5.140 1.00 51.44 H new ATOM 0 HA ASN A 139 9.951 1.681 6.382 1.00 53.53 H new ATOM 0 HB2 ASN A 139 10.685 0.419 4.397 1.00 42.02 H new ATOM 0 HB3 ASN A 139 12.246 0.100 5.126 1.00 42.02 H new ATOM 0 HD21 ASN A 139 11.179 -2.658 7.039 1.00 21.32 H new ATOM 0 HD22 ASN A 139 12.433 -1.441 6.778 1.00 21.32 H new ATOM 1536 N ASP A 140 12.822 1.413 7.853 1.00 21.55 N ATOM 1537 CA ASP A 140 13.485 1.077 9.119 1.00 51.24 C ATOM 1538 C ASP A 140 13.539 2.287 10.042 1.00 30.51 C ATOM 1539 O ASP A 140 14.316 2.336 11.003 1.00 15.13 O ATOM 1540 CB ASP A 140 14.891 0.495 8.866 1.00 70.04 C ATOM 1541 CG ASP A 140 14.888 -0.938 8.309 1.00 22.23 C ATOM 1542 OD1 ASP A 140 14.113 -1.254 7.371 1.00 51.52 O ATOM 1543 OD2 ASP A 140 15.718 -1.760 8.756 1.00 54.41 O ATOM 0 H ASP A 140 13.424 1.867 7.166 1.00 21.55 H new ATOM 0 HA ASP A 140 12.896 0.308 9.619 1.00 51.24 H new ATOM 0 HB2 ASP A 140 15.420 1.143 8.168 1.00 70.04 H new ATOM 0 HB3 ASP A 140 15.451 0.509 9.801 1.00 70.04 H new ATOM 1548 N ALA A 141 12.705 3.252 9.738 1.00 33.52 N ATOM 1549 CA ALA A 141 12.550 4.453 10.532 1.00 42.50 C ATOM 1550 C ALA A 141 11.336 4.336 11.378 1.00 23.33 C ATOM 1551 O ALA A 141 10.408 3.619 11.019 1.00 13.14 O ATOM 1552 CB ALA A 141 12.344 5.639 9.649 1.00 71.11 C ATOM 0 H ALA A 141 12.102 3.227 8.916 1.00 33.52 H new ATOM 0 HA ALA A 141 13.449 4.574 11.136 1.00 42.50 H new ATOM 0 HB1 ALA A 141 12.229 6.533 10.262 1.00 71.11 H new ATOM 0 HB2 ALA A 141 13.206 5.757 8.992 1.00 71.11 H new ATOM 0 HB3 ALA A 141 11.447 5.494 9.048 1.00 71.11 H new ATOM 1558 N ASP A 142 11.304 5.059 12.468 1.00 41.05 N ATOM 1559 CA ASP A 142 10.130 5.057 13.288 1.00 12.13 C ATOM 1560 C ASP A 142 9.133 5.964 12.643 1.00 25.21 C ATOM 1561 O ASP A 142 9.484 7.045 12.128 1.00 34.32 O ATOM 1562 CB ASP A 142 10.386 5.482 14.751 1.00 65.23 C ATOM 1563 CG ASP A 142 10.838 6.920 14.934 1.00 12.31 C ATOM 1564 OD1 ASP A 142 12.048 7.198 14.785 1.00 21.45 O ATOM 1565 OD2 ASP A 142 10.009 7.785 15.290 1.00 25.32 O ATOM 0 H ASP A 142 12.068 5.647 12.801 1.00 41.05 H new ATOM 0 HA ASP A 142 9.761 4.033 13.354 1.00 12.13 H new ATOM 0 HB2 ASP A 142 9.471 5.330 15.323 1.00 65.23 H new ATOM 0 HB3 ASP A 142 11.142 4.823 15.178 1.00 65.23 H new ATOM 1570 N ILE A 143 7.939 5.518 12.578 1.00 33.00 N ATOM 1571 CA ILE A 143 6.906 6.261 11.964 1.00 75.24 C ATOM 1572 C ILE A 143 6.023 6.868 13.021 1.00 4.33 C ATOM 1573 O ILE A 143 5.555 6.188 13.911 1.00 42.32 O ATOM 1574 CB ILE A 143 6.134 5.422 10.868 1.00 3.25 C ATOM 1575 CG1 ILE A 143 5.567 4.073 11.382 1.00 41.10 C ATOM 1576 CG2 ILE A 143 7.041 5.162 9.684 1.00 12.30 C ATOM 1577 CD1 ILE A 143 4.288 4.169 12.176 1.00 40.12 C ATOM 0 H ILE A 143 7.645 4.616 12.953 1.00 33.00 H new ATOM 0 HA ILE A 143 7.341 7.088 11.402 1.00 75.24 H new ATOM 0 HB ILE A 143 5.276 6.029 10.580 1.00 3.25 H new ATOM 0 HG12 ILE A 143 5.395 3.421 10.526 1.00 41.10 H new ATOM 0 HG13 ILE A 143 6.324 3.593 12.002 1.00 41.10 H new ATOM 0 HG21 ILE A 143 6.502 4.584 8.933 1.00 12.30 H new ATOM 0 HG22 ILE A 143 7.357 6.112 9.252 1.00 12.30 H new ATOM 0 HG23 ILE A 143 7.917 4.603 10.013 1.00 12.30 H new ATOM 0 HD11 ILE A 143 3.977 3.172 12.488 1.00 40.12 H new ATOM 0 HD12 ILE A 143 4.452 4.790 13.057 1.00 40.12 H new ATOM 0 HD13 ILE A 143 3.509 4.615 11.558 1.00 40.12 H new ATOM 1589 N GLY A 144 5.874 8.142 12.991 1.00 11.10 N ATOM 1590 CA GLY A 144 5.092 8.761 13.991 1.00 14.20 C ATOM 1591 C GLY A 144 4.606 10.090 13.590 1.00 24.44 C ATOM 1592 O GLY A 144 4.892 10.569 12.486 1.00 23.32 O ATOM 0 H GLY A 144 6.278 8.768 12.294 1.00 11.10 H new ATOM 0 HA2 GLY A 144 4.240 8.123 14.227 1.00 14.20 H new ATOM 0 HA3 GLY A 144 5.683 8.854 14.902 1.00 14.20 H new ATOM 1596 N ASN A 145 3.891 10.686 14.462 1.00 51.21 N ATOM 1597 CA ASN A 145 3.333 11.973 14.247 1.00 43.50 C ATOM 1598 C ASN A 145 3.530 12.712 15.510 1.00 61.44 C ATOM 1599 O ASN A 145 3.555 12.096 16.595 1.00 34.02 O ATOM 1600 CB ASN A 145 1.849 11.949 13.780 1.00 44.35 C ATOM 1601 CG ASN A 145 0.790 11.518 14.798 1.00 13.13 C ATOM 1602 OD1 ASN A 145 -0.329 11.991 14.730 1.00 4.21 O ATOM 1603 ND2 ASN A 145 1.102 10.628 15.705 1.00 43.03 N ATOM 0 H ASN A 145 3.668 10.286 15.373 1.00 51.21 H new ATOM 0 HA ASN A 145 3.835 12.469 13.416 1.00 43.50 H new ATOM 0 HB2 ASN A 145 1.591 12.949 13.431 1.00 44.35 H new ATOM 0 HB3 ASN A 145 1.779 11.283 12.920 1.00 44.35 H new ATOM 0 HD21 ASN A 145 0.400 10.316 16.376 1.00 43.03 H new ATOM 0 HD22 ASN A 145 2.047 10.247 15.741 1.00 43.03 H new ATOM 1610 N TRP A 146 3.662 13.969 15.426 1.00 12.22 N ATOM 1611 CA TRP A 146 4.146 14.685 16.535 1.00 64.35 C ATOM 1612 C TRP A 146 3.467 16.005 16.624 1.00 20.42 C ATOM 1613 O TRP A 146 3.130 16.612 15.600 1.00 12.34 O ATOM 1614 CB TRP A 146 5.625 14.910 16.273 1.00 72.12 C ATOM 1615 CG TRP A 146 6.519 14.678 17.423 1.00 52.00 C ATOM 1616 CD1 TRP A 146 6.924 15.584 18.337 1.00 21.34 C ATOM 1617 CD2 TRP A 146 7.153 13.445 17.764 1.00 14.12 C ATOM 1618 NE1 TRP A 146 7.786 14.999 19.217 1.00 31.43 N ATOM 1619 CE2 TRP A 146 7.935 13.687 18.890 1.00 15.23 C ATOM 1620 CE3 TRP A 146 7.132 12.156 17.224 1.00 24.34 C ATOM 1621 CZ2 TRP A 146 8.699 12.702 19.489 1.00 44.33 C ATOM 1622 CZ3 TRP A 146 7.891 11.178 17.833 1.00 62.22 C ATOM 1623 CH2 TRP A 146 8.662 11.458 18.952 1.00 40.54 C ATOM 0 H TRP A 146 3.443 14.529 14.602 1.00 12.22 H new ATOM 0 HA TRP A 146 3.968 14.143 17.464 1.00 64.35 H new ATOM 0 HB2 TRP A 146 5.935 14.256 15.457 1.00 72.12 H new ATOM 0 HB3 TRP A 146 5.763 15.935 15.930 1.00 72.12 H new ATOM 0 HD1 TRP A 146 6.612 16.618 18.367 1.00 21.34 H new ATOM 0 HE1 TRP A 146 8.246 15.470 19.996 1.00 31.43 H new ATOM 0 HE3 TRP A 146 6.536 11.931 16.352 1.00 24.34 H new ATOM 0 HZ2 TRP A 146 9.305 12.917 20.356 1.00 44.33 H new ATOM 0 HZ3 TRP A 146 7.885 10.176 17.431 1.00 62.22 H new ATOM 0 HH2 TRP A 146 9.244 10.669 19.404 1.00 40.54 H new ATOM 1634 N ASP A 147 3.236 16.434 17.822 1.00 0.51 N ATOM 1635 CA ASP A 147 2.718 17.741 18.052 1.00 5.45 C ATOM 1636 C ASP A 147 3.628 18.401 19.034 1.00 42.13 C ATOM 1637 O ASP A 147 3.575 18.131 20.231 1.00 43.35 O ATOM 1638 CB ASP A 147 1.273 17.727 18.538 1.00 52.04 C ATOM 1639 CG ASP A 147 0.681 19.118 18.598 1.00 1.35 C ATOM 1640 OD1 ASP A 147 0.824 19.888 17.602 1.00 65.45 O ATOM 1641 OD2 ASP A 147 0.058 19.479 19.604 1.00 12.42 O ATOM 0 H ASP A 147 3.401 15.888 18.668 1.00 0.51 H new ATOM 0 HA ASP A 147 2.689 18.298 17.115 1.00 5.45 H new ATOM 0 HB2 ASP A 147 0.673 17.106 17.873 1.00 52.04 H new ATOM 0 HB3 ASP A 147 1.228 17.271 19.527 1.00 52.04 H new ATOM 1646 N ASN A 148 4.540 19.148 18.485 1.00 22.02 N ATOM 1647 CA ASN A 148 5.584 19.842 19.202 1.00 72.22 C ATOM 1648 C ASN A 148 5.885 21.116 18.453 1.00 54.21 C ATOM 1649 O ASN A 148 6.548 21.055 17.404 1.00 22.42 O ATOM 1650 CB ASN A 148 6.844 18.959 19.269 1.00 60.04 C ATOM 1651 CG ASN A 148 8.053 19.650 19.877 1.00 43.01 C ATOM 1652 OD1 ASN A 148 7.935 20.525 20.728 1.00 5.10 O ATOM 1653 ND2 ASN A 148 9.224 19.262 19.441 1.00 11.01 N ATOM 1654 OXT ASN A 148 5.418 22.184 18.864 1.00 0.00 O ATOM 0 H ASN A 148 4.583 19.301 17.477 1.00 22.02 H new ATOM 0 HA ASN A 148 5.268 20.066 20.221 1.00 72.22 H new ATOM 0 HB2 ASN A 148 6.618 18.066 19.851 1.00 60.04 H new ATOM 0 HB3 ASN A 148 7.097 18.628 18.262 1.00 60.04 H new ATOM 0 HD21 ASN A 148 10.073 19.690 19.810 1.00 11.01 H new ATOM 0 HD22 ASN A 148 9.288 18.531 18.732 1.00 11.01 H new TER 1661 ASN A 148