USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 684 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 26 ASN : amide:sc= 0.0413 K(o=0.089,f=-1.1) USER MOD Set 1.2: A 81 SER OG : rot 125:sc= 0.0473 USER MOD Set 2.1: A 11 THR OG1 : rot 80:sc= 1.02 USER MOD Set 2.2: A 42 SER OG : rot 56:sc= -0.825 USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 17 SER OG : rot -92:sc= 1.83 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.571 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 150:sc= -0.586 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.25) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0287 K(o=-0.029,f=-0.72) USER MOD Single : A 56 HIS : no HE2:sc= -3.92 K(o=-3.9,f=-6.6!) USER MOD Single : A 57 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.6!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -58:sc= 0.894 USER MOD Single : A 68 SER OG : rot 54:sc= 0.393 USER MOD Single : A 74 SER OG : rot 16:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.949 K(o=-0.95,f=-2.9!) USER MOD Single : A 80 SER OG : rot 107:sc= 1.21 USER MOD Single : A 85 SER OG : rot 180:sc= -1.35 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 91 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.426 -0.581 1.267 1.00 73.31 N ATOM 2 CA GLY A 1 3.550 0.132 1.844 1.00 31.03 C ATOM 3 C GLY A 1 4.517 0.639 0.793 1.00 54.13 C ATOM 4 O GLY A 1 5.688 0.264 0.786 1.00 63.43 O ATOM 0 H1 GLY A 1 1.795 -0.907 2.027 1.00 73.31 H new ATOM 0 H2 GLY A 1 1.903 0.053 0.630 1.00 73.31 H new ATOM 0 H3 GLY A 1 2.774 -1.401 0.730 1.00 73.31 H new ATOM 0 HA2 GLY A 1 3.180 0.974 2.429 1.00 31.03 H new ATOM 0 HA3 GLY A 1 4.079 -0.527 2.532 1.00 31.03 H new ATOM 8 N GLU A 2 4.024 1.494 -0.099 1.00 22.41 N ATOM 9 CA GLU A 2 4.853 2.050 -1.161 1.00 43.33 C ATOM 10 C GLU A 2 4.925 3.571 -1.055 1.00 72.15 C ATOM 11 O GLU A 2 4.776 4.282 -2.050 1.00 23.14 O ATOM 12 CB GLU A 2 4.303 1.649 -2.531 1.00 60.25 C ATOM 13 CG GLU A 2 4.163 0.147 -2.715 1.00 23.10 C ATOM 14 CD GLU A 2 2.865 -0.239 -3.398 1.00 24.15 C ATOM 15 OE1 GLU A 2 2.518 0.395 -4.416 1.00 24.13 O ATOM 16 OE2 GLU A 2 2.197 -1.176 -2.913 1.00 31.21 O ATOM 0 H GLU A 2 3.056 1.816 -0.107 1.00 22.41 H new ATOM 0 HA GLU A 2 5.860 1.647 -1.050 1.00 43.33 H new ATOM 0 HB2 GLU A 2 3.329 2.116 -2.673 1.00 60.25 H new ATOM 0 HB3 GLU A 2 4.961 2.042 -3.306 1.00 60.25 H new ATOM 0 HG2 GLU A 2 5.003 -0.223 -3.303 1.00 23.10 H new ATOM 0 HG3 GLU A 2 4.216 -0.341 -1.742 1.00 23.10 H new ATOM 23 N LYS A 3 5.153 4.064 0.157 1.00 33.53 N ATOM 24 CA LYS A 3 5.245 5.499 0.396 1.00 50.03 C ATOM 25 C LYS A 3 6.582 5.860 1.035 1.00 30.53 C ATOM 26 O LYS A 3 6.691 6.854 1.753 1.00 41.51 O ATOM 27 CB LYS A 3 4.096 5.962 1.294 1.00 2.44 C ATOM 28 CG LYS A 3 4.071 5.279 2.651 1.00 43.14 C ATOM 29 CD LYS A 3 3.226 4.016 2.623 1.00 4.55 C ATOM 30 CE LYS A 3 1.872 4.238 3.279 1.00 53.25 C ATOM 31 NZ LYS A 3 1.110 2.967 3.421 1.00 73.30 N ATOM 0 H LYS A 3 5.278 3.490 0.991 1.00 33.53 H new ATOM 0 HA LYS A 3 5.174 6.007 -0.566 1.00 50.03 H new ATOM 0 HB2 LYS A 3 4.172 7.039 1.440 1.00 2.44 H new ATOM 0 HB3 LYS A 3 3.150 5.775 0.785 1.00 2.44 H new ATOM 0 HG2 LYS A 3 5.088 5.031 2.953 1.00 43.14 H new ATOM 0 HG3 LYS A 3 3.675 5.967 3.398 1.00 43.14 H new ATOM 0 HD2 LYS A 3 3.084 3.695 1.591 1.00 4.55 H new ATOM 0 HD3 LYS A 3 3.753 3.212 3.137 1.00 4.55 H new ATOM 0 HE2 LYS A 3 2.014 4.688 4.262 1.00 53.25 H new ATOM 0 HE3 LYS A 3 1.292 4.945 2.685 1.00 53.25 H new ATOM 0 HZ1 LYS A 3 0.193 3.160 3.872 1.00 73.30 H new ATOM 0 HZ2 LYS A 3 0.952 2.550 2.481 1.00 73.30 H new ATOM 0 HZ3 LYS A 3 1.651 2.301 4.009 1.00 73.30 H new ATOM 45 N THR A 4 7.599 5.045 0.770 1.00 52.23 N ATOM 46 CA THR A 4 8.928 5.279 1.319 1.00 64.51 C ATOM 47 C THR A 4 10.012 4.873 0.327 1.00 61.44 C ATOM 48 O THR A 4 9.824 3.955 -0.473 1.00 2.24 O ATOM 49 CB THR A 4 9.137 4.505 2.634 1.00 32.43 C ATOM 50 OG1 THR A 4 8.985 3.099 2.405 1.00 14.32 O ATOM 51 CG2 THR A 4 8.145 4.961 3.694 1.00 41.24 C ATOM 0 H THR A 4 7.527 4.217 0.178 1.00 52.23 H new ATOM 0 HA THR A 4 9.003 6.348 1.519 1.00 64.51 H new ATOM 0 HB THR A 4 10.146 4.707 2.992 1.00 32.43 H new ATOM 0 HG1 THR A 4 9.121 2.614 3.246 1.00 14.32 H new ATOM 0 HG21 THR A 4 8.312 4.400 4.614 1.00 41.24 H new ATOM 0 HG22 THR A 4 8.283 6.025 3.887 1.00 41.24 H new ATOM 0 HG23 THR A 4 7.129 4.785 3.341 1.00 41.24 H new ATOM 59 N VAL A 5 11.148 5.561 0.383 1.00 12.11 N ATOM 60 CA VAL A 5 12.263 5.271 -0.510 1.00 21.31 C ATOM 61 C VAL A 5 13.376 4.531 0.224 1.00 44.23 C ATOM 62 O VAL A 5 13.866 4.990 1.256 1.00 22.51 O ATOM 63 CB VAL A 5 12.838 6.559 -1.127 1.00 50.34 C ATOM 64 CG1 VAL A 5 13.146 7.580 -0.043 1.00 1.13 C ATOM 65 CG2 VAL A 5 14.081 6.248 -1.947 1.00 2.30 C ATOM 0 H VAL A 5 11.320 6.324 1.038 1.00 12.11 H new ATOM 0 HA VAL A 5 11.874 4.638 -1.307 1.00 21.31 H new ATOM 0 HB VAL A 5 12.089 6.987 -1.793 1.00 50.34 H new ATOM 0 HG11 VAL A 5 13.551 8.483 -0.499 1.00 1.13 H new ATOM 0 HG12 VAL A 5 12.231 7.825 0.497 1.00 1.13 H new ATOM 0 HG13 VAL A 5 13.876 7.165 0.651 1.00 1.13 H new ATOM 0 HG21 VAL A 5 14.474 7.170 -2.376 1.00 2.30 H new ATOM 0 HG22 VAL A 5 14.837 5.795 -1.305 1.00 2.30 H new ATOM 0 HG23 VAL A 5 13.824 5.556 -2.749 1.00 2.30 H new ATOM 75 N LYS A 6 13.773 3.384 -0.316 1.00 72.25 N ATOM 76 CA LYS A 6 14.830 2.580 0.285 1.00 62.45 C ATOM 77 C LYS A 6 16.198 2.992 -0.250 1.00 71.12 C ATOM 78 O LYS A 6 16.554 2.674 -1.386 1.00 34.52 O ATOM 79 CB LYS A 6 14.589 1.094 0.008 1.00 61.03 C ATOM 80 CG LYS A 6 13.151 0.659 0.231 1.00 1.12 C ATOM 81 CD LYS A 6 12.389 0.556 -1.080 1.00 4.44 C ATOM 82 CE LYS A 6 10.957 1.047 -0.932 1.00 43.11 C ATOM 83 NZ LYS A 6 10.000 -0.080 -0.755 1.00 43.04 N ATOM 0 H LYS A 6 13.378 2.990 -1.170 1.00 72.25 H new ATOM 0 HA LYS A 6 14.814 2.750 1.362 1.00 62.45 H new ATOM 0 HB2 LYS A 6 14.870 0.875 -1.022 1.00 61.03 H new ATOM 0 HB3 LYS A 6 15.242 0.503 0.650 1.00 61.03 H new ATOM 0 HG2 LYS A 6 13.136 -0.306 0.738 1.00 1.12 H new ATOM 0 HG3 LYS A 6 12.652 1.372 0.888 1.00 1.12 H new ATOM 0 HD2 LYS A 6 12.898 1.142 -1.845 1.00 4.44 H new ATOM 0 HD3 LYS A 6 12.386 -0.480 -1.420 1.00 4.44 H new ATOM 0 HE2 LYS A 6 10.890 1.718 -0.076 1.00 43.11 H new ATOM 0 HE3 LYS A 6 10.678 1.625 -1.813 1.00 43.11 H new ATOM 0 HZ1 LYS A 6 9.035 0.296 -0.658 1.00 43.04 H new ATOM 0 HZ2 LYS A 6 10.045 -0.707 -1.583 1.00 43.04 H new ATOM 0 HZ3 LYS A 6 10.250 -0.617 0.100 1.00 43.04 H new ATOM 97 N LEU A 7 16.962 3.700 0.574 1.00 35.15 N ATOM 98 CA LEU A 7 18.292 4.154 0.185 1.00 51.42 C ATOM 99 C LEU A 7 19.292 3.004 0.220 1.00 64.43 C ATOM 100 O LEU A 7 19.423 2.311 1.230 1.00 53.35 O ATOM 101 CB LEU A 7 18.759 5.280 1.110 1.00 61.33 C ATOM 102 CG LEU A 7 17.704 6.320 1.487 1.00 41.44 C ATOM 103 CD1 LEU A 7 18.255 7.287 2.523 1.00 14.42 C ATOM 104 CD2 LEU A 7 17.231 7.072 0.251 1.00 44.40 C ATOM 0 H LEU A 7 16.683 3.972 1.517 1.00 35.15 H new ATOM 0 HA LEU A 7 18.236 4.531 -0.836 1.00 51.42 H new ATOM 0 HB2 LEU A 7 19.144 4.834 2.027 1.00 61.33 H new ATOM 0 HB3 LEU A 7 19.592 5.794 0.631 1.00 61.33 H new ATOM 0 HG LEU A 7 16.849 5.802 1.922 1.00 41.44 H new ATOM 0 HD11 LEU A 7 17.490 8.020 2.779 1.00 14.42 H new ATOM 0 HD12 LEU A 7 18.544 6.736 3.418 1.00 14.42 H new ATOM 0 HD13 LEU A 7 19.127 7.799 2.115 1.00 14.42 H new ATOM 0 HD21 LEU A 7 16.480 7.808 0.538 1.00 44.40 H new ATOM 0 HD22 LEU A 7 18.077 7.579 -0.213 1.00 44.40 H new ATOM 0 HD23 LEU A 7 16.796 6.368 -0.459 1.00 44.40 H new ATOM 116 N TYR A 8 19.998 2.806 -0.888 1.00 41.52 N ATOM 117 CA TYR A 8 20.987 1.740 -0.985 1.00 22.44 C ATOM 118 C TYR A 8 22.404 2.306 -0.963 1.00 54.12 C ATOM 119 O TYR A 8 22.816 3.010 -1.885 1.00 14.05 O ATOM 120 CB TYR A 8 20.770 0.928 -2.263 1.00 11.11 C ATOM 121 CG TYR A 8 20.026 -0.369 -2.038 1.00 1.12 C ATOM 122 CD1 TYR A 8 18.695 -0.369 -1.638 1.00 3.22 C ATOM 123 CD2 TYR A 8 20.654 -1.594 -2.224 1.00 31.21 C ATOM 124 CE1 TYR A 8 18.012 -1.551 -1.430 1.00 72.21 C ATOM 125 CE2 TYR A 8 19.978 -2.781 -2.020 1.00 32.50 C ATOM 126 CZ TYR A 8 18.657 -2.755 -1.623 1.00 2.20 C ATOM 127 OH TYR A 8 17.981 -3.935 -1.417 1.00 73.45 O ATOM 0 H TYR A 8 19.903 3.371 -1.732 1.00 41.52 H new ATOM 0 HA TYR A 8 20.863 1.086 -0.122 1.00 22.44 H new ATOM 0 HB2 TYR A 8 20.216 1.535 -2.979 1.00 11.11 H new ATOM 0 HB3 TYR A 8 21.738 0.708 -2.713 1.00 11.11 H new ATOM 0 HD1 TYR A 8 18.186 0.572 -1.487 1.00 3.22 H new ATOM 0 HD2 TYR A 8 21.688 -1.619 -2.533 1.00 31.21 H new ATOM 0 HE1 TYR A 8 16.978 -1.533 -1.118 1.00 72.21 H new ATOM 0 HE2 TYR A 8 20.481 -3.725 -2.171 1.00 32.50 H new ATOM 0 HH TYR A 8 18.579 -4.690 -1.597 1.00 73.45 H new ATOM 137 N GLU A 9 23.143 1.992 0.096 1.00 44.52 N ATOM 138 CA GLU A 9 24.514 2.470 0.238 1.00 52.20 C ATOM 139 C GLU A 9 25.408 1.892 -0.855 1.00 53.13 C ATOM 140 O GLU A 9 26.514 2.379 -1.089 1.00 62.32 O ATOM 141 CB GLU A 9 25.067 2.097 1.615 1.00 42.21 C ATOM 142 CG GLU A 9 25.469 0.637 1.734 1.00 32.42 C ATOM 143 CD GLU A 9 24.300 -0.308 1.534 1.00 72.13 C ATOM 144 OE1 GLU A 9 23.467 -0.427 2.457 1.00 63.13 O ATOM 145 OE2 GLU A 9 24.218 -0.928 0.453 1.00 72.43 O ATOM 0 H GLU A 9 22.817 1.410 0.867 1.00 44.52 H new ATOM 0 HA GLU A 9 24.505 3.556 0.139 1.00 52.20 H new ATOM 0 HB2 GLU A 9 25.933 2.722 1.831 1.00 42.21 H new ATOM 0 HB3 GLU A 9 24.315 2.321 2.372 1.00 42.21 H new ATOM 0 HG2 GLU A 9 26.241 0.415 0.997 1.00 32.42 H new ATOM 0 HG3 GLU A 9 25.908 0.464 2.717 1.00 32.42 H new ATOM 152 N ASP A 10 24.920 0.851 -1.521 1.00 0.01 N ATOM 153 CA ASP A 10 25.673 0.206 -2.590 1.00 24.11 C ATOM 154 C ASP A 10 24.845 0.128 -3.868 1.00 52.44 C ATOM 155 O ASP A 10 23.619 0.020 -3.822 1.00 31.34 O ATOM 156 CB ASP A 10 26.107 -1.197 -2.162 1.00 72.24 C ATOM 157 CG ASP A 10 27.522 -1.226 -1.621 1.00 24.04 C ATOM 158 OD1 ASP A 10 27.699 -0.975 -0.410 1.00 62.33 O ATOM 159 OD2 ASP A 10 28.454 -1.498 -2.407 1.00 73.41 O ATOM 0 H ASP A 10 24.006 0.436 -1.339 1.00 0.01 H new ATOM 0 HA ASP A 10 26.560 0.807 -2.790 1.00 24.11 H new ATOM 0 HB2 ASP A 10 25.422 -1.569 -1.400 1.00 72.24 H new ATOM 0 HB3 ASP A 10 26.033 -1.873 -3.014 1.00 72.24 H new ATOM 164 N THR A 11 25.522 0.186 -5.011 1.00 50.00 N ATOM 165 CA THR A 11 24.849 0.125 -6.302 1.00 71.23 C ATOM 166 C THR A 11 24.486 -1.310 -6.665 1.00 74.54 C ATOM 167 O THR A 11 24.932 -2.258 -6.017 1.00 42.43 O ATOM 168 CB THR A 11 25.725 0.719 -7.421 1.00 51.31 C ATOM 169 OG1 THR A 11 24.993 0.750 -8.652 1.00 5.32 O ATOM 170 CG2 THR A 11 26.998 -0.094 -7.602 1.00 75.21 C ATOM 0 H THR A 11 26.536 0.275 -5.068 1.00 50.00 H new ATOM 0 HA THR A 11 23.938 0.716 -6.211 1.00 71.23 H new ATOM 0 HB THR A 11 26.000 1.735 -7.136 1.00 51.31 H new ATOM 0 HG1 THR A 11 24.387 1.520 -8.653 1.00 5.32 H new ATOM 0 HG21 THR A 11 27.600 0.345 -8.398 1.00 75.21 H new ATOM 0 HG22 THR A 11 27.567 -0.091 -6.672 1.00 75.21 H new ATOM 0 HG23 THR A 11 26.740 -1.120 -7.866 1.00 75.21 H new ATOM 178 N HIS A 12 23.673 -1.465 -7.706 1.00 20.21 N ATOM 179 CA HIS A 12 23.251 -2.787 -8.156 1.00 53.32 C ATOM 180 C HIS A 12 22.425 -3.488 -7.082 1.00 72.42 C ATOM 181 O HIS A 12 22.470 -4.712 -6.951 1.00 14.34 O ATOM 182 CB HIS A 12 24.468 -3.639 -8.518 1.00 13.42 C ATOM 183 CG HIS A 12 24.194 -4.650 -9.589 1.00 5.45 C ATOM 184 ND1 HIS A 12 24.496 -4.439 -10.917 1.00 52.55 N ATOM 185 CD2 HIS A 12 23.646 -5.885 -9.520 1.00 72.13 C ATOM 186 CE1 HIS A 12 24.143 -5.500 -11.621 1.00 13.34 C ATOM 187 NE2 HIS A 12 23.625 -6.392 -10.796 1.00 73.33 N ATOM 0 H HIS A 12 23.294 -0.692 -8.253 1.00 20.21 H new ATOM 0 HA HIS A 12 22.630 -2.661 -9.043 1.00 53.32 H new ATOM 0 HB2 HIS A 12 25.275 -2.984 -8.846 1.00 13.42 H new ATOM 0 HB3 HIS A 12 24.819 -4.155 -7.624 1.00 13.42 H new ATOM 0 HD2 HIS A 12 23.291 -6.380 -8.628 1.00 72.13 H new ATOM 0 HE1 HIS A 12 24.258 -5.618 -12.688 1.00 13.34 H new ATOM 0 HE2 HIS A 12 23.267 -7.309 -11.063 1.00 73.33 H new ATOM 195 N PHE A 13 21.672 -2.706 -6.316 1.00 51.22 N ATOM 196 CA PHE A 13 20.837 -3.252 -5.252 1.00 42.15 C ATOM 197 C PHE A 13 21.651 -4.158 -4.334 1.00 21.25 C ATOM 198 O PHE A 13 21.289 -5.311 -4.099 1.00 75.20 O ATOM 199 CB PHE A 13 19.662 -4.032 -5.846 1.00 44.45 C ATOM 200 CG PHE A 13 18.833 -3.227 -6.807 1.00 23.44 C ATOM 201 CD1 PHE A 13 17.992 -2.227 -6.347 1.00 3.13 C ATOM 202 CD2 PHE A 13 18.895 -3.471 -8.169 1.00 65.41 C ATOM 203 CE1 PHE A 13 17.228 -1.486 -7.228 1.00 71.01 C ATOM 204 CE2 PHE A 13 18.134 -2.733 -9.055 1.00 74.44 C ATOM 205 CZ PHE A 13 17.300 -1.739 -8.584 1.00 55.31 C ATOM 0 H PHE A 13 21.623 -1.692 -6.412 1.00 51.22 H new ATOM 0 HA PHE A 13 20.451 -2.420 -4.664 1.00 42.15 H new ATOM 0 HB2 PHE A 13 20.044 -4.914 -6.359 1.00 44.45 H new ATOM 0 HB3 PHE A 13 19.024 -4.386 -5.036 1.00 44.45 H new ATOM 0 HD1 PHE A 13 17.933 -2.024 -5.288 1.00 3.13 H new ATOM 0 HD2 PHE A 13 19.546 -4.247 -8.543 1.00 65.41 H new ATOM 0 HE1 PHE A 13 16.575 -0.710 -6.857 1.00 71.01 H new ATOM 0 HE2 PHE A 13 18.192 -2.934 -10.115 1.00 74.44 H new ATOM 0 HZ PHE A 13 16.705 -1.160 -9.275 1.00 55.31 H new ATOM 215 N LYS A 14 22.754 -3.629 -3.816 1.00 3.40 N ATOM 216 CA LYS A 14 23.621 -4.387 -2.922 1.00 62.20 C ATOM 217 C LYS A 14 23.614 -3.788 -1.519 1.00 74.41 C ATOM 218 O LYS A 14 23.387 -2.592 -1.346 1.00 12.23 O ATOM 219 CB LYS A 14 25.051 -4.417 -3.468 1.00 14.42 C ATOM 220 CG LYS A 14 25.605 -5.819 -3.645 1.00 24.43 C ATOM 221 CD LYS A 14 25.876 -6.132 -5.107 1.00 11.21 C ATOM 222 CE LYS A 14 27.257 -5.657 -5.532 1.00 53.52 C ATOM 223 NZ LYS A 14 28.252 -6.764 -5.521 1.00 43.10 N ATOM 0 H LYS A 14 23.069 -2.677 -4.000 1.00 3.40 H new ATOM 0 HA LYS A 14 23.239 -5.406 -2.865 1.00 62.20 H new ATOM 0 HB2 LYS A 14 25.075 -3.902 -4.428 1.00 14.42 H new ATOM 0 HB3 LYS A 14 25.701 -3.861 -2.792 1.00 14.42 H new ATOM 0 HG2 LYS A 14 26.527 -5.921 -3.073 1.00 24.43 H new ATOM 0 HG3 LYS A 14 24.898 -6.544 -3.242 1.00 24.43 H new ATOM 0 HD2 LYS A 14 25.793 -7.206 -5.272 1.00 11.21 H new ATOM 0 HD3 LYS A 14 25.119 -5.655 -5.729 1.00 11.21 H new ATOM 0 HE2 LYS A 14 27.202 -5.229 -6.533 1.00 53.52 H new ATOM 0 HE3 LYS A 14 27.590 -4.863 -4.863 1.00 53.52 H new ATOM 0 HZ1 LYS A 14 29.180 -6.400 -5.817 1.00 43.10 H new ATOM 0 HZ2 LYS A 14 28.324 -7.157 -4.561 1.00 43.10 H new ATOM 0 HZ3 LYS A 14 27.948 -7.511 -6.178 1.00 43.10 H new ATOM 237 N GLY A 15 23.865 -4.629 -0.520 1.00 74.21 N ATOM 238 CA GLY A 15 23.883 -4.164 0.854 1.00 1.33 C ATOM 239 C GLY A 15 22.496 -4.089 1.460 1.00 74.20 C ATOM 240 O GLY A 15 21.620 -4.887 1.123 1.00 0.23 O ATOM 0 H GLY A 15 24.056 -5.624 -0.638 1.00 74.21 H new ATOM 0 HA2 GLY A 15 24.502 -4.833 1.452 1.00 1.33 H new ATOM 0 HA3 GLY A 15 24.347 -3.179 0.895 1.00 1.33 H new ATOM 244 N TYR A 16 22.294 -3.131 2.357 1.00 2.50 N ATOM 245 CA TYR A 16 21.004 -2.958 3.014 1.00 3.44 C ATOM 246 C TYR A 16 20.205 -1.835 2.359 1.00 22.14 C ATOM 247 O TYR A 16 20.612 -1.283 1.337 1.00 1.12 O ATOM 248 CB TYR A 16 21.202 -2.657 4.501 1.00 21.51 C ATOM 249 CG TYR A 16 22.038 -1.426 4.764 1.00 5.42 C ATOM 250 CD1 TYR A 16 21.494 -0.153 4.642 1.00 33.21 C ATOM 251 CD2 TYR A 16 23.373 -1.534 5.134 1.00 44.13 C ATOM 252 CE1 TYR A 16 22.254 0.975 4.881 1.00 41.33 C ATOM 253 CE2 TYR A 16 24.141 -0.411 5.376 1.00 71.13 C ATOM 254 CZ TYR A 16 23.577 0.841 5.248 1.00 51.13 C ATOM 255 OH TYR A 16 24.339 1.962 5.487 1.00 55.15 O ATOM 0 H TYR A 16 23.007 -2.462 2.646 1.00 2.50 H new ATOM 0 HA TYR A 16 20.444 -3.887 2.909 1.00 3.44 H new ATOM 0 HB2 TYR A 16 20.226 -2.530 4.970 1.00 21.51 H new ATOM 0 HB3 TYR A 16 21.675 -3.516 4.977 1.00 21.51 H new ATOM 0 HD1 TYR A 16 20.459 -0.044 4.355 1.00 33.21 H new ATOM 0 HD2 TYR A 16 23.818 -2.513 5.234 1.00 44.13 H new ATOM 0 HE1 TYR A 16 21.815 1.957 4.781 1.00 41.33 H new ATOM 0 HE2 TYR A 16 25.177 -0.513 5.664 1.00 71.13 H new ATOM 0 HH TYR A 16 25.248 1.693 5.736 1.00 55.15 H new ATOM 265 N SER A 17 19.065 -1.503 2.957 1.00 43.43 N ATOM 266 CA SER A 17 18.206 -0.448 2.431 1.00 30.21 C ATOM 267 C SER A 17 17.624 0.393 3.563 1.00 73.10 C ATOM 268 O SER A 17 17.278 -0.127 4.624 1.00 23.11 O ATOM 269 CB SER A 17 17.076 -1.052 1.595 1.00 15.33 C ATOM 270 OG SER A 17 17.353 -2.400 1.260 1.00 21.32 O ATOM 0 H SER A 17 18.715 -1.949 3.805 1.00 43.43 H new ATOM 0 HA SER A 17 18.812 0.199 1.796 1.00 30.21 H new ATOM 0 HB2 SER A 17 16.140 -0.997 2.150 1.00 15.33 H new ATOM 0 HB3 SER A 17 16.941 -0.468 0.684 1.00 15.33 H new ATOM 0 HG SER A 17 17.807 -2.435 0.392 1.00 21.32 H new ATOM 276 N VAL A 18 17.518 1.697 3.329 1.00 51.14 N ATOM 277 CA VAL A 18 16.977 2.612 4.327 1.00 72.32 C ATOM 278 C VAL A 18 15.664 3.227 3.854 1.00 4.12 C ATOM 279 O VAL A 18 15.655 4.110 2.998 1.00 42.43 O ATOM 280 CB VAL A 18 17.973 3.741 4.652 1.00 33.30 C ATOM 281 CG1 VAL A 18 17.359 4.728 5.633 1.00 50.45 C ATOM 282 CG2 VAL A 18 19.269 3.165 5.203 1.00 15.21 C ATOM 0 H VAL A 18 17.800 2.144 2.456 1.00 51.14 H new ATOM 0 HA VAL A 18 16.797 2.027 5.229 1.00 72.32 H new ATOM 0 HB VAL A 18 18.203 4.276 3.731 1.00 33.30 H new ATOM 0 HG11 VAL A 18 18.077 5.519 5.851 1.00 50.45 H new ATOM 0 HG12 VAL A 18 16.461 5.164 5.196 1.00 50.45 H new ATOM 0 HG13 VAL A 18 17.099 4.210 6.556 1.00 50.45 H new ATOM 0 HG21 VAL A 18 19.961 3.976 5.427 1.00 15.21 H new ATOM 0 HG22 VAL A 18 19.060 2.604 6.114 1.00 15.21 H new ATOM 0 HG23 VAL A 18 19.716 2.501 4.463 1.00 15.21 H new ATOM 292 N GLU A 19 14.558 2.754 4.419 1.00 11.02 N ATOM 293 CA GLU A 19 13.239 3.258 4.055 1.00 42.44 C ATOM 294 C GLU A 19 12.699 4.196 5.130 1.00 12.04 C ATOM 295 O GLU A 19 12.724 3.875 6.319 1.00 2.45 O ATOM 296 CB GLU A 19 12.266 2.097 3.839 1.00 4.21 C ATOM 297 CG GLU A 19 12.255 1.093 4.979 1.00 65.40 C ATOM 298 CD GLU A 19 13.100 -0.132 4.685 1.00 34.41 C ATOM 299 OE1 GLU A 19 12.726 -0.908 3.781 1.00 34.42 O ATOM 300 OE2 GLU A 19 14.135 -0.314 5.360 1.00 71.44 O ATOM 0 H GLU A 19 14.549 2.023 5.130 1.00 11.02 H new ATOM 0 HA GLU A 19 13.337 3.818 3.125 1.00 42.44 H new ATOM 0 HB2 GLU A 19 11.260 2.496 3.708 1.00 4.21 H new ATOM 0 HB3 GLU A 19 12.527 1.582 2.915 1.00 4.21 H new ATOM 0 HG2 GLU A 19 12.622 1.574 5.886 1.00 65.40 H new ATOM 0 HG3 GLU A 19 11.229 0.783 5.176 1.00 65.40 H new ATOM 307 N LEU A 20 12.211 5.356 4.705 1.00 72.11 N ATOM 308 CA LEU A 20 11.664 6.342 5.631 1.00 62.12 C ATOM 309 C LEU A 20 10.516 7.114 4.988 1.00 4.45 C ATOM 310 O LEU A 20 10.458 7.290 3.771 1.00 3.13 O ATOM 311 CB LEU A 20 12.759 7.312 6.079 1.00 60.31 C ATOM 312 CG LEU A 20 13.695 7.821 4.982 1.00 30.40 C ATOM 313 CD1 LEU A 20 13.616 9.335 4.873 1.00 12.42 C ATOM 314 CD2 LEU A 20 15.125 7.378 5.253 1.00 23.54 C ATOM 0 H LEU A 20 12.183 5.637 3.725 1.00 72.11 H new ATOM 0 HA LEU A 20 11.278 5.812 6.502 1.00 62.12 H new ATOM 0 HB2 LEU A 20 12.284 8.172 6.551 1.00 60.31 H new ATOM 0 HB3 LEU A 20 13.361 6.821 6.843 1.00 60.31 H new ATOM 0 HG LEU A 20 13.377 7.392 4.032 1.00 30.40 H new ATOM 0 HD11 LEU A 20 14.289 9.679 4.087 1.00 12.42 H new ATOM 0 HD12 LEU A 20 12.595 9.630 4.631 1.00 12.42 H new ATOM 0 HD13 LEU A 20 13.908 9.784 5.823 1.00 12.42 H new ATOM 0 HD21 LEU A 20 15.777 7.749 4.462 1.00 23.54 H new ATOM 0 HD22 LEU A 20 15.454 7.778 6.212 1.00 23.54 H new ATOM 0 HD23 LEU A 20 15.170 6.289 5.279 1.00 23.54 H new ATOM 326 N PRO A 21 9.582 7.590 5.825 1.00 75.43 N ATOM 327 CA PRO A 21 8.420 8.354 5.361 1.00 34.22 C ATOM 328 C PRO A 21 8.803 9.737 4.847 1.00 1.34 C ATOM 329 O PRO A 21 9.953 10.159 4.970 1.00 41.30 O ATOM 330 CB PRO A 21 7.549 8.471 6.615 1.00 43.31 C ATOM 331 CG PRO A 21 8.505 8.353 7.752 1.00 73.52 C ATOM 332 CD PRO A 21 9.587 7.418 7.287 1.00 20.22 C ATOM 0 HA PRO A 21 7.921 7.868 4.523 1.00 34.22 H new ATOM 0 HB2 PRO A 21 7.018 9.423 6.641 1.00 43.31 H new ATOM 0 HB3 PRO A 21 6.795 7.685 6.648 1.00 43.31 H new ATOM 0 HG2 PRO A 21 8.918 9.326 8.018 1.00 73.52 H new ATOM 0 HG3 PRO A 21 8.008 7.964 8.641 1.00 73.52 H new ATOM 0 HD2 PRO A 21 10.554 7.676 7.719 1.00 20.22 H new ATOM 0 HD3 PRO A 21 9.376 6.387 7.571 1.00 20.22 H new ATOM 340 N VAL A 22 7.833 10.440 4.272 1.00 75.12 N ATOM 341 CA VAL A 22 8.068 11.777 3.741 1.00 44.03 C ATOM 342 C VAL A 22 8.780 12.657 4.763 1.00 74.33 C ATOM 343 O VAL A 22 8.520 12.567 5.962 1.00 41.21 O ATOM 344 CB VAL A 22 6.750 12.456 3.324 1.00 2.01 C ATOM 345 CG1 VAL A 22 5.770 12.479 4.487 1.00 5.54 C ATOM 346 CG2 VAL A 22 7.015 13.863 2.811 1.00 2.41 C ATOM 0 H VAL A 22 6.876 10.105 4.162 1.00 75.12 H new ATOM 0 HA VAL A 22 8.701 11.661 2.862 1.00 44.03 H new ATOM 0 HB VAL A 22 6.303 11.878 2.515 1.00 2.01 H new ATOM 0 HG11 VAL A 22 4.845 12.962 4.174 1.00 5.54 H new ATOM 0 HG12 VAL A 22 5.557 11.458 4.803 1.00 5.54 H new ATOM 0 HG13 VAL A 22 6.205 13.033 5.319 1.00 5.54 H new ATOM 0 HG21 VAL A 22 6.073 14.328 2.521 1.00 2.41 H new ATOM 0 HG22 VAL A 22 7.485 14.454 3.597 1.00 2.41 H new ATOM 0 HG23 VAL A 22 7.678 13.816 1.947 1.00 2.41 H new ATOM 356 N GLY A 23 9.679 13.508 4.279 1.00 51.32 N ATOM 357 CA GLY A 23 10.414 14.393 5.164 1.00 40.14 C ATOM 358 C GLY A 23 11.764 14.788 4.598 1.00 54.41 C ATOM 359 O GLY A 23 12.024 14.604 3.409 1.00 70.01 O ATOM 0 H GLY A 23 9.912 13.601 3.290 1.00 51.32 H new ATOM 0 HA2 GLY A 23 9.824 15.291 5.348 1.00 40.14 H new ATOM 0 HA3 GLY A 23 10.556 13.903 6.127 1.00 40.14 H new ATOM 363 N ASP A 24 12.623 15.335 5.450 1.00 3.04 N ATOM 364 CA ASP A 24 13.954 15.758 5.029 1.00 54.53 C ATOM 365 C ASP A 24 15.003 15.360 6.061 1.00 5.03 C ATOM 366 O ASP A 24 14.820 15.569 7.261 1.00 73.03 O ATOM 367 CB ASP A 24 13.985 17.272 4.809 1.00 33.23 C ATOM 368 CG ASP A 24 13.036 18.010 5.733 1.00 51.33 C ATOM 369 OD1 ASP A 24 11.861 18.196 5.352 1.00 71.31 O ATOM 370 OD2 ASP A 24 13.468 18.402 6.837 1.00 41.34 O ATOM 0 H ASP A 24 12.422 15.496 6.437 1.00 3.04 H new ATOM 0 HA ASP A 24 14.187 15.257 4.090 1.00 54.53 H new ATOM 0 HB2 ASP A 24 14.999 17.639 4.966 1.00 33.23 H new ATOM 0 HB3 ASP A 24 13.724 17.491 3.774 1.00 33.23 H new ATOM 375 N TYR A 25 16.103 14.785 5.588 1.00 70.34 N ATOM 376 CA TYR A 25 17.181 14.354 6.470 1.00 72.41 C ATOM 377 C TYR A 25 18.527 14.879 5.982 1.00 4.20 C ATOM 378 O TYR A 25 18.827 14.839 4.790 1.00 71.54 O ATOM 379 CB TYR A 25 17.218 12.827 6.556 1.00 34.22 C ATOM 380 CG TYR A 25 16.952 12.139 5.236 1.00 4.10 C ATOM 381 CD1 TYR A 25 15.683 12.141 4.672 1.00 71.12 C ATOM 382 CD2 TYR A 25 17.972 11.488 4.552 1.00 2.34 C ATOM 383 CE1 TYR A 25 15.436 11.513 3.466 1.00 1.23 C ATOM 384 CE2 TYR A 25 17.735 10.859 3.346 1.00 51.14 C ATOM 385 CZ TYR A 25 16.465 10.874 2.807 1.00 62.11 C ATOM 386 OH TYR A 25 16.224 10.249 1.605 1.00 32.41 O ATOM 0 H TYR A 25 16.272 14.606 4.598 1.00 70.34 H new ATOM 0 HA TYR A 25 16.990 14.763 7.462 1.00 72.41 H new ATOM 0 HB2 TYR A 25 18.194 12.516 6.928 1.00 34.22 H new ATOM 0 HB3 TYR A 25 16.479 12.495 7.285 1.00 34.22 H new ATOM 0 HD1 TYR A 25 14.875 12.642 5.185 1.00 71.12 H new ATOM 0 HD2 TYR A 25 18.967 11.474 4.971 1.00 2.34 H new ATOM 0 HE1 TYR A 25 14.443 11.523 3.042 1.00 1.23 H new ATOM 0 HE2 TYR A 25 18.539 10.358 2.827 1.00 51.14 H new ATOM 0 HH TYR A 25 17.054 9.848 1.272 1.00 32.41 H new ATOM 396 N ASN A 26 19.336 15.372 6.915 1.00 52.33 N ATOM 397 CA ASN A 26 20.651 15.906 6.581 1.00 3.43 C ATOM 398 C ASN A 26 21.744 14.882 6.871 1.00 31.24 C ATOM 399 O ASN A 26 21.460 13.713 7.135 1.00 72.52 O ATOM 400 CB ASN A 26 20.918 17.190 7.370 1.00 42.24 C ATOM 401 CG ASN A 26 19.726 18.128 7.368 1.00 22.35 C ATOM 402 OD1 ASN A 26 19.232 18.521 6.311 1.00 24.44 O ATOM 403 ND2 ASN A 26 19.258 18.491 8.557 1.00 23.00 N ATOM 0 H ASN A 26 19.104 15.413 7.907 1.00 52.33 H new ATOM 0 HA ASN A 26 20.664 16.132 5.515 1.00 3.43 H new ATOM 0 HB2 ASN A 26 21.174 16.935 8.398 1.00 42.24 H new ATOM 0 HB3 ASN A 26 21.781 17.702 6.944 1.00 42.24 H new ATOM 0 HD21 ASN A 26 18.458 19.120 8.620 1.00 23.00 H new ATOM 0 HD22 ASN A 26 19.699 18.141 9.407 1.00 23.00 H new ATOM 410 N LEU A 27 22.994 15.328 6.822 1.00 40.31 N ATOM 411 CA LEU A 27 24.131 14.451 7.080 1.00 34.00 C ATOM 412 C LEU A 27 23.960 13.714 8.405 1.00 40.33 C ATOM 413 O LEU A 27 24.083 12.491 8.467 1.00 45.23 O ATOM 414 CB LEU A 27 25.430 15.258 7.096 1.00 51.21 C ATOM 415 CG LEU A 27 26.633 14.581 7.754 1.00 14.30 C ATOM 416 CD1 LEU A 27 27.924 15.006 7.072 1.00 53.31 C ATOM 417 CD2 LEU A 27 26.680 14.906 9.240 1.00 44.10 C ATOM 0 H LEU A 27 23.246 16.292 6.606 1.00 40.31 H new ATOM 0 HA LEU A 27 24.179 13.714 6.279 1.00 34.00 H new ATOM 0 HB2 LEU A 27 25.694 15.504 6.067 1.00 51.21 H new ATOM 0 HB3 LEU A 27 25.242 16.200 7.611 1.00 51.21 H new ATOM 0 HG LEU A 27 26.526 13.502 7.641 1.00 14.30 H new ATOM 0 HD11 LEU A 27 28.769 14.514 7.554 1.00 53.31 H new ATOM 0 HD12 LEU A 27 27.890 14.722 6.020 1.00 53.31 H new ATOM 0 HD13 LEU A 27 28.039 16.087 7.152 1.00 53.31 H new ATOM 0 HD21 LEU A 27 27.542 14.416 9.692 1.00 44.10 H new ATOM 0 HD22 LEU A 27 26.764 15.984 9.374 1.00 44.10 H new ATOM 0 HD23 LEU A 27 25.768 14.550 9.719 1.00 44.10 H new ATOM 429 N SER A 28 23.673 14.467 9.462 1.00 44.20 N ATOM 430 CA SER A 28 23.487 13.886 10.786 1.00 1.14 C ATOM 431 C SER A 28 22.320 12.903 10.789 1.00 2.20 C ATOM 432 O SER A 28 22.413 11.814 11.356 1.00 53.34 O ATOM 433 CB SER A 28 23.244 14.987 11.820 1.00 15.31 C ATOM 434 OG SER A 28 24.466 15.463 12.357 1.00 70.54 O ATOM 0 H SER A 28 23.564 15.481 9.427 1.00 44.20 H new ATOM 0 HA SER A 28 24.396 13.345 11.049 1.00 1.14 H new ATOM 0 HB2 SER A 28 22.701 15.811 11.357 1.00 15.31 H new ATOM 0 HB3 SER A 28 22.615 14.603 12.623 1.00 15.31 H new ATOM 0 HG SER A 28 24.283 16.167 13.014 1.00 70.54 H new ATOM 440 N SER A 29 21.222 13.296 10.151 1.00 2.34 N ATOM 441 CA SER A 29 20.035 12.453 10.083 1.00 73.33 C ATOM 442 C SER A 29 20.331 11.158 9.333 1.00 61.51 C ATOM 443 O SER A 29 19.713 10.123 9.588 1.00 23.05 O ATOM 444 CB SER A 29 18.890 13.202 9.397 1.00 22.44 C ATOM 445 OG SER A 29 17.707 12.423 9.384 1.00 34.53 O ATOM 0 H SER A 29 21.130 14.193 9.674 1.00 2.34 H new ATOM 0 HA SER A 29 19.738 12.203 11.102 1.00 73.33 H new ATOM 0 HB2 SER A 29 18.704 14.143 9.916 1.00 22.44 H new ATOM 0 HB3 SER A 29 19.176 13.452 8.375 1.00 22.44 H new ATOM 0 HG SER A 29 16.926 13.014 9.407 1.00 34.53 H new ATOM 451 N LEU A 30 21.281 11.222 8.406 1.00 55.20 N ATOM 452 CA LEU A 30 21.661 10.055 7.617 1.00 14.24 C ATOM 453 C LEU A 30 22.382 9.026 8.481 1.00 22.32 C ATOM 454 O LEU A 30 22.274 7.821 8.249 1.00 44.31 O ATOM 455 CB LEU A 30 22.555 10.474 6.449 1.00 73.11 C ATOM 456 CG LEU A 30 21.835 10.835 5.149 1.00 0.31 C ATOM 457 CD1 LEU A 30 22.692 11.767 4.306 1.00 72.32 C ATOM 458 CD2 LEU A 30 21.482 9.578 4.367 1.00 5.14 C ATOM 0 H LEU A 30 21.802 12.070 8.182 1.00 55.20 H new ATOM 0 HA LEU A 30 20.752 9.600 7.225 1.00 14.24 H new ATOM 0 HB2 LEU A 30 23.149 11.332 6.762 1.00 73.11 H new ATOM 0 HB3 LEU A 30 23.252 9.662 6.242 1.00 73.11 H new ATOM 0 HG LEU A 30 20.910 11.353 5.400 1.00 0.31 H new ATOM 0 HD11 LEU A 30 22.164 12.013 3.385 1.00 72.32 H new ATOM 0 HD12 LEU A 30 22.893 12.681 4.865 1.00 72.32 H new ATOM 0 HD13 LEU A 30 23.634 11.275 4.064 1.00 72.32 H new ATOM 0 HD21 LEU A 30 20.970 9.855 3.445 1.00 5.14 H new ATOM 0 HD22 LEU A 30 22.394 9.031 4.126 1.00 5.14 H new ATOM 0 HD23 LEU A 30 20.829 8.946 4.969 1.00 5.14 H new ATOM 470 N ILE A 31 23.115 9.508 9.479 1.00 65.12 N ATOM 471 CA ILE A 31 23.852 8.629 10.379 1.00 14.22 C ATOM 472 C ILE A 31 22.902 7.770 11.207 1.00 10.11 C ATOM 473 O ILE A 31 23.178 6.600 11.472 1.00 3.33 O ATOM 474 CB ILE A 31 24.761 9.431 11.329 1.00 21.31 C ATOM 475 CG1 ILE A 31 25.500 10.527 10.559 1.00 61.12 C ATOM 476 CG2 ILE A 31 25.749 8.505 12.023 1.00 64.04 C ATOM 477 CD1 ILE A 31 26.195 10.026 9.312 1.00 73.10 C ATOM 0 H ILE A 31 23.214 10.502 9.685 1.00 65.12 H new ATOM 0 HA ILE A 31 24.471 7.984 9.755 1.00 14.22 H new ATOM 0 HB ILE A 31 24.140 9.904 12.090 1.00 21.31 H new ATOM 0 HG12 ILE A 31 24.790 11.306 10.281 1.00 61.12 H new ATOM 0 HG13 ILE A 31 26.238 10.987 11.216 1.00 61.12 H new ATOM 0 HG21 ILE A 31 26.385 9.086 12.691 1.00 64.04 H new ATOM 0 HG22 ILE A 31 25.204 7.758 12.600 1.00 64.04 H new ATOM 0 HG23 ILE A 31 26.367 8.007 11.276 1.00 64.04 H new ATOM 0 HD11 ILE A 31 26.698 10.857 8.817 1.00 73.10 H new ATOM 0 HD12 ILE A 31 26.929 9.268 9.584 1.00 73.10 H new ATOM 0 HD13 ILE A 31 25.459 9.592 8.635 1.00 73.10 H new ATOM 489 N SER A 32 21.781 8.358 11.611 1.00 13.43 N ATOM 490 CA SER A 32 20.790 7.648 12.411 1.00 31.41 C ATOM 491 C SER A 32 20.369 6.351 11.727 1.00 75.32 C ATOM 492 O SER A 32 20.326 5.291 12.353 1.00 42.35 O ATOM 493 CB SER A 32 19.565 8.533 12.649 1.00 3.14 C ATOM 494 OG SER A 32 19.071 8.376 13.968 1.00 22.02 O ATOM 0 H SER A 32 21.536 9.325 11.397 1.00 13.43 H new ATOM 0 HA SER A 32 21.243 7.402 13.371 1.00 31.41 H new ATOM 0 HB2 SER A 32 19.828 9.577 12.478 1.00 3.14 H new ATOM 0 HB3 SER A 32 18.784 8.279 11.932 1.00 3.14 H new ATOM 0 HG SER A 32 18.289 8.953 14.095 1.00 22.02 H new ATOM 500 N ARG A 33 20.057 6.443 10.438 1.00 4.01 N ATOM 501 CA ARG A 33 19.638 5.278 9.668 1.00 11.30 C ATOM 502 C ARG A 33 20.826 4.371 9.363 1.00 4.15 C ATOM 503 O ARG A 33 20.662 3.270 8.841 1.00 73.42 O ATOM 504 CB ARG A 33 18.970 5.717 8.364 1.00 73.45 C ATOM 505 CG ARG A 33 17.548 6.222 8.547 1.00 2.43 C ATOM 506 CD ARG A 33 17.374 7.617 7.967 1.00 52.10 C ATOM 507 NE ARG A 33 17.469 8.652 8.993 1.00 51.55 N ATOM 508 CZ ARG A 33 16.536 8.861 9.915 1.00 1.00 C ATOM 509 NH1 ARG A 33 15.444 8.109 9.940 1.00 3.33 N ATOM 510 NH2 ARG A 33 16.695 9.823 10.815 1.00 12.01 N ATOM 0 H ARG A 33 20.087 7.312 9.905 1.00 4.01 H new ATOM 0 HA ARG A 33 18.920 4.717 10.266 1.00 11.30 H new ATOM 0 HB2 ARG A 33 19.569 6.504 7.906 1.00 73.45 H new ATOM 0 HB3 ARG A 33 18.961 4.877 7.669 1.00 73.45 H new ATOM 0 HG2 ARG A 33 16.852 5.536 8.064 1.00 2.43 H new ATOM 0 HG3 ARG A 33 17.299 6.234 9.608 1.00 2.43 H new ATOM 0 HD2 ARG A 33 18.134 7.790 7.206 1.00 52.10 H new ATOM 0 HD3 ARG A 33 16.405 7.685 7.472 1.00 52.10 H new ATOM 0 HE ARG A 33 18.297 9.247 9.002 1.00 51.55 H new ATOM 0 HH11 ARG A 33 15.319 7.368 9.250 1.00 3.33 H new ATOM 0 HH12 ARG A 33 14.729 8.271 10.649 1.00 3.33 H new ATOM 0 HH21 ARG A 33 17.534 10.403 10.799 1.00 12.01 H new ATOM 0 HH22 ARG A 33 15.978 9.983 11.523 1.00 12.01 H new ATOM 524 N GLY A 34 22.025 4.843 9.694 1.00 32.11 N ATOM 525 CA GLY A 34 23.223 4.062 9.448 1.00 41.21 C ATOM 526 C GLY A 34 23.957 4.506 8.198 1.00 24.31 C ATOM 527 O GLY A 34 25.109 4.131 7.981 1.00 62.10 O ATOM 0 H GLY A 34 22.187 5.752 10.128 1.00 32.11 H new ATOM 0 HA2 GLY A 34 23.890 4.145 10.306 1.00 41.21 H new ATOM 0 HA3 GLY A 34 22.954 3.010 9.354 1.00 41.21 H new ATOM 531 N ALA A 35 23.289 5.305 7.373 1.00 10.12 N ATOM 532 CA ALA A 35 23.885 5.800 6.139 1.00 45.12 C ATOM 533 C ALA A 35 24.903 6.900 6.423 1.00 22.43 C ATOM 534 O ALA A 35 24.565 7.942 6.986 1.00 25.23 O ATOM 535 CB ALA A 35 22.804 6.310 5.198 1.00 62.25 C ATOM 0 H ALA A 35 22.334 5.623 7.537 1.00 10.12 H new ATOM 0 HA ALA A 35 24.408 4.972 5.660 1.00 45.12 H new ATOM 0 HB1 ALA A 35 23.264 6.677 4.280 1.00 62.25 H new ATOM 0 HB2 ALA A 35 22.116 5.499 4.960 1.00 62.25 H new ATOM 0 HB3 ALA A 35 22.256 7.121 5.678 1.00 62.25 H new ATOM 541 N LEU A 36 26.150 6.661 6.032 1.00 71.23 N ATOM 542 CA LEU A 36 27.218 7.631 6.245 1.00 0.23 C ATOM 543 C LEU A 36 27.210 8.699 5.156 1.00 73.21 C ATOM 544 O LEU A 36 26.997 8.400 3.982 1.00 71.32 O ATOM 545 CB LEU A 36 28.576 6.927 6.274 1.00 35.34 C ATOM 546 CG LEU A 36 29.191 6.599 4.914 1.00 70.14 C ATOM 547 CD1 LEU A 36 30.220 7.650 4.526 1.00 74.21 C ATOM 548 CD2 LEU A 36 29.822 5.214 4.933 1.00 12.22 C ATOM 0 H LEU A 36 26.446 5.804 5.566 1.00 71.23 H new ATOM 0 HA LEU A 36 27.047 8.117 7.206 1.00 0.23 H new ATOM 0 HB2 LEU A 36 29.276 7.555 6.825 1.00 35.34 H new ATOM 0 HB3 LEU A 36 28.470 5.999 6.836 1.00 35.34 H new ATOM 0 HG LEU A 36 28.397 6.604 4.167 1.00 70.14 H new ATOM 0 HD11 LEU A 36 30.647 7.400 3.555 1.00 74.21 H new ATOM 0 HD12 LEU A 36 29.739 8.627 4.470 1.00 74.21 H new ATOM 0 HD13 LEU A 36 31.012 7.678 5.275 1.00 74.21 H new ATOM 0 HD21 LEU A 36 30.255 4.998 3.956 1.00 12.22 H new ATOM 0 HD22 LEU A 36 30.604 5.181 5.692 1.00 12.22 H new ATOM 0 HD23 LEU A 36 29.060 4.470 5.165 1.00 12.22 H new ATOM 560 N ASN A 37 27.445 9.945 5.554 1.00 72.10 N ATOM 561 CA ASN A 37 27.466 11.057 4.611 1.00 0.30 C ATOM 562 C ASN A 37 28.392 10.757 3.436 1.00 1.14 C ATOM 563 O ASN A 37 29.524 10.312 3.623 1.00 25.45 O ATOM 564 CB ASN A 37 27.915 12.340 5.314 1.00 54.22 C ATOM 565 CG ASN A 37 29.422 12.429 5.449 1.00 65.52 C ATOM 566 OD1 ASN A 37 30.064 13.274 4.826 1.00 42.44 O ATOM 567 ND2 ASN A 37 29.995 11.552 6.266 1.00 44.41 N ATOM 0 H ASN A 37 27.623 10.210 6.523 1.00 72.10 H new ATOM 0 HA ASN A 37 26.455 11.195 4.228 1.00 0.30 H new ATOM 0 HB2 ASN A 37 27.552 13.203 4.756 1.00 54.22 H new ATOM 0 HB3 ASN A 37 27.461 12.386 6.304 1.00 54.22 H new ATOM 0 HD21 ASN A 37 31.007 11.562 6.397 1.00 44.41 H new ATOM 0 HD22 ASN A 37 29.423 10.869 6.763 1.00 44.41 H new ATOM 574 N ASP A 38 27.903 11.005 2.226 1.00 21.14 N ATOM 575 CA ASP A 38 28.687 10.763 1.021 1.00 51.14 C ATOM 576 C ASP A 38 29.136 9.307 0.947 1.00 34.11 C ATOM 577 O ASP A 38 30.208 8.952 1.436 1.00 3.22 O ATOM 578 CB ASP A 38 29.905 11.687 0.984 1.00 12.54 C ATOM 579 CG ASP A 38 29.549 13.127 1.300 1.00 73.02 C ATOM 580 OD1 ASP A 38 28.372 13.502 1.115 1.00 75.51 O ATOM 581 OD2 ASP A 38 30.447 13.879 1.732 1.00 32.25 O ATOM 0 H ASP A 38 26.968 11.373 2.054 1.00 21.14 H new ATOM 0 HA ASP A 38 28.054 10.974 0.159 1.00 51.14 H new ATOM 0 HB2 ASP A 38 30.647 11.334 1.700 1.00 12.54 H new ATOM 0 HB3 ASP A 38 30.365 11.638 -0.003 1.00 12.54 H new ATOM 586 N ASP A 39 28.307 8.468 0.334 1.00 5.33 N ATOM 587 CA ASP A 39 28.619 7.050 0.197 1.00 53.32 C ATOM 588 C ASP A 39 27.546 6.335 -0.619 1.00 43.21 C ATOM 589 O ASP A 39 27.835 5.381 -1.343 1.00 34.24 O ATOM 590 CB ASP A 39 28.748 6.399 1.574 1.00 22.34 C ATOM 591 CG ASP A 39 28.596 4.891 1.519 1.00 54.44 C ATOM 592 OD1 ASP A 39 29.307 4.252 0.715 1.00 21.05 O ATOM 593 OD2 ASP A 39 27.765 4.351 2.279 1.00 44.03 O ATOM 0 H ASP A 39 27.415 8.745 -0.075 1.00 5.33 H new ATOM 0 HA ASP A 39 29.570 6.961 -0.328 1.00 53.32 H new ATOM 0 HB2 ASP A 39 29.720 6.648 2.001 1.00 22.34 H new ATOM 0 HB3 ASP A 39 27.992 6.813 2.241 1.00 22.34 H new ATOM 598 N LEU A 40 26.308 6.802 -0.497 1.00 64.51 N ATOM 599 CA LEU A 40 25.192 6.206 -1.222 1.00 55.15 C ATOM 600 C LEU A 40 25.567 5.938 -2.676 1.00 43.33 C ATOM 601 O LEU A 40 26.178 6.780 -3.335 1.00 70.22 O ATOM 602 CB LEU A 40 23.970 7.125 -1.160 1.00 72.54 C ATOM 603 CG LEU A 40 23.081 6.976 0.075 1.00 53.23 C ATOM 604 CD1 LEU A 40 22.542 5.558 0.178 1.00 62.34 C ATOM 605 CD2 LEU A 40 23.850 7.349 1.334 1.00 50.25 C ATOM 0 H LEU A 40 26.052 7.591 0.097 1.00 64.51 H new ATOM 0 HA LEU A 40 24.949 5.255 -0.748 1.00 55.15 H new ATOM 0 HB2 LEU A 40 24.314 8.158 -1.213 1.00 72.54 H new ATOM 0 HB3 LEU A 40 23.360 6.946 -2.046 1.00 72.54 H new ATOM 0 HG LEU A 40 22.236 7.657 -0.026 1.00 53.23 H new ATOM 0 HD11 LEU A 40 21.912 5.472 1.063 1.00 62.34 H new ATOM 0 HD12 LEU A 40 21.954 5.327 -0.710 1.00 62.34 H new ATOM 0 HD13 LEU A 40 23.373 4.857 0.255 1.00 62.34 H new ATOM 0 HD21 LEU A 40 23.202 7.237 2.203 1.00 50.25 H new ATOM 0 HD22 LEU A 40 24.715 6.694 1.440 1.00 50.25 H new ATOM 0 HD23 LEU A 40 24.185 8.384 1.262 1.00 50.25 H new ATOM 617 N SER A 41 25.196 4.762 -3.171 1.00 22.40 N ATOM 618 CA SER A 41 25.496 4.382 -4.547 1.00 13.13 C ATOM 619 C SER A 41 24.215 4.072 -5.316 1.00 11.42 C ATOM 620 O SER A 41 24.223 3.977 -6.543 1.00 75.50 O ATOM 621 CB SER A 41 26.426 3.167 -4.572 1.00 54.51 C ATOM 622 OG SER A 41 27.690 3.482 -4.015 1.00 20.43 O ATOM 0 H SER A 41 24.687 4.055 -2.640 1.00 22.40 H new ATOM 0 HA SER A 41 25.995 5.222 -5.030 1.00 13.13 H new ATOM 0 HB2 SER A 41 25.973 2.347 -4.015 1.00 54.51 H new ATOM 0 HB3 SER A 41 26.553 2.823 -5.598 1.00 54.51 H new ATOM 0 HG SER A 41 28.266 2.689 -4.041 1.00 20.43 H new ATOM 628 N SER A 42 23.116 3.917 -4.585 1.00 31.14 N ATOM 629 CA SER A 42 21.827 3.614 -5.196 1.00 43.12 C ATOM 630 C SER A 42 20.684 3.920 -4.233 1.00 72.45 C ATOM 631 O SER A 42 20.909 4.315 -3.090 1.00 64.40 O ATOM 632 CB SER A 42 21.773 2.145 -5.621 1.00 11.32 C ATOM 633 OG SER A 42 21.964 2.011 -7.019 1.00 13.15 O ATOM 0 H SER A 42 23.092 3.996 -3.568 1.00 31.14 H new ATOM 0 HA SER A 42 21.713 4.244 -6.078 1.00 43.12 H new ATOM 0 HB2 SER A 42 22.540 1.581 -5.090 1.00 11.32 H new ATOM 0 HB3 SER A 42 20.811 1.717 -5.340 1.00 11.32 H new ATOM 0 HG SER A 42 22.810 2.434 -7.276 1.00 13.15 H new ATOM 639 N ALA A 43 19.456 3.734 -4.706 1.00 35.34 N ATOM 640 CA ALA A 43 18.276 3.987 -3.887 1.00 61.04 C ATOM 641 C ALA A 43 17.001 3.592 -4.625 1.00 2.01 C ATOM 642 O ALA A 43 16.637 4.207 -5.627 1.00 14.31 O ATOM 643 CB ALA A 43 18.221 5.452 -3.481 1.00 14.12 C ATOM 0 H ALA A 43 19.252 3.409 -5.651 1.00 35.34 H new ATOM 0 HA ALA A 43 18.349 3.374 -2.988 1.00 61.04 H new ATOM 0 HB1 ALA A 43 17.335 5.627 -2.870 1.00 14.12 H new ATOM 0 HB2 ALA A 43 19.113 5.704 -2.908 1.00 14.12 H new ATOM 0 HB3 ALA A 43 18.175 6.076 -4.374 1.00 14.12 H new ATOM 649 N ARG A 44 16.328 2.562 -4.123 1.00 71.12 N ATOM 650 CA ARG A 44 15.094 2.084 -4.736 1.00 65.11 C ATOM 651 C ARG A 44 13.906 2.936 -4.301 1.00 74.13 C ATOM 652 O ARG A 44 13.721 3.202 -3.114 1.00 14.43 O ATOM 653 CB ARG A 44 14.849 0.620 -4.365 1.00 44.11 C ATOM 654 CG ARG A 44 13.837 -0.074 -5.261 1.00 61.15 C ATOM 655 CD ARG A 44 12.473 -0.165 -4.595 1.00 40.44 C ATOM 656 NE ARG A 44 11.587 -1.097 -5.287 1.00 51.22 N ATOM 657 CZ ARG A 44 11.734 -2.416 -5.249 1.00 20.40 C ATOM 658 NH1 ARG A 44 12.727 -2.956 -4.556 1.00 31.24 N ATOM 659 NH2 ARG A 44 10.887 -3.199 -5.905 1.00 14.02 N ATOM 0 H ARG A 44 16.616 2.042 -3.294 1.00 71.12 H new ATOM 0 HA ARG A 44 15.200 2.164 -5.818 1.00 65.11 H new ATOM 0 HB2 ARG A 44 15.794 0.079 -4.412 1.00 44.11 H new ATOM 0 HB3 ARG A 44 14.503 0.569 -3.333 1.00 44.11 H new ATOM 0 HG2 ARG A 44 13.748 0.470 -6.201 1.00 61.15 H new ATOM 0 HG3 ARG A 44 14.192 -1.075 -5.505 1.00 61.15 H new ATOM 0 HD2 ARG A 44 12.596 -0.483 -3.560 1.00 40.44 H new ATOM 0 HD3 ARG A 44 12.014 0.823 -4.573 1.00 40.44 H new ATOM 0 HE ARG A 44 10.813 -0.714 -5.829 1.00 51.22 H new ATOM 0 HH11 ARG A 44 13.380 -2.358 -4.050 1.00 31.24 H new ATOM 0 HH12 ARG A 44 12.838 -3.970 -4.529 1.00 31.24 H new ATOM 0 HH21 ARG A 44 10.122 -2.788 -6.439 1.00 14.02 H new ATOM 0 HH22 ARG A 44 11.001 -4.212 -5.875 1.00 14.02 H new ATOM 673 N VAL A 45 13.102 3.361 -5.271 1.00 64.04 N ATOM 674 CA VAL A 45 11.931 4.182 -4.989 1.00 41.23 C ATOM 675 C VAL A 45 10.665 3.545 -5.550 1.00 71.40 C ATOM 676 O VAL A 45 10.625 3.083 -6.691 1.00 22.03 O ATOM 677 CB VAL A 45 12.083 5.598 -5.577 1.00 24.21 C ATOM 678 CG1 VAL A 45 13.338 6.268 -5.038 1.00 21.32 C ATOM 679 CG2 VAL A 45 12.109 5.543 -7.097 1.00 4.21 C ATOM 0 H VAL A 45 13.241 3.150 -6.259 1.00 64.04 H new ATOM 0 HA VAL A 45 11.849 4.253 -3.904 1.00 41.23 H new ATOM 0 HB VAL A 45 11.223 6.194 -5.272 1.00 24.21 H new ATOM 0 HG11 VAL A 45 13.429 7.267 -5.464 1.00 21.32 H new ATOM 0 HG12 VAL A 45 13.274 6.341 -3.952 1.00 21.32 H new ATOM 0 HG13 VAL A 45 14.212 5.676 -5.311 1.00 21.32 H new ATOM 0 HG21 VAL A 45 12.217 6.552 -7.496 1.00 4.21 H new ATOM 0 HG22 VAL A 45 12.950 4.931 -7.425 1.00 4.21 H new ATOM 0 HG23 VAL A 45 11.179 5.106 -7.461 1.00 4.21 H new ATOM 689 N PRO A 46 9.603 3.518 -4.731 1.00 23.43 N ATOM 690 CA PRO A 46 8.315 2.940 -5.124 1.00 34.24 C ATOM 691 C PRO A 46 7.602 3.778 -6.180 1.00 34.54 C ATOM 692 O PRO A 46 8.075 4.848 -6.560 1.00 0.32 O ATOM 693 CB PRO A 46 7.516 2.933 -3.818 1.00 20.03 C ATOM 694 CG PRO A 46 8.119 4.022 -2.999 1.00 60.02 C ATOM 695 CD PRO A 46 9.579 4.049 -3.358 1.00 1.52 C ATOM 0 HA PRO A 46 8.431 1.954 -5.574 1.00 34.24 H new ATOM 0 HB2 PRO A 46 6.457 3.115 -4.001 1.00 20.03 H new ATOM 0 HB3 PRO A 46 7.591 1.970 -3.313 1.00 20.03 H new ATOM 0 HG2 PRO A 46 7.646 4.980 -3.215 1.00 60.02 H new ATOM 0 HG3 PRO A 46 7.982 3.831 -1.935 1.00 60.02 H new ATOM 0 HD2 PRO A 46 9.986 5.059 -3.311 1.00 1.52 H new ATOM 0 HD3 PRO A 46 10.171 3.435 -2.679 1.00 1.52 H new ATOM 703 N SER A 47 6.461 3.283 -6.649 1.00 54.33 N ATOM 704 CA SER A 47 5.684 3.985 -7.664 1.00 51.23 C ATOM 705 C SER A 47 4.871 5.116 -7.041 1.00 21.12 C ATOM 706 O SER A 47 3.958 4.877 -6.252 1.00 1.25 O ATOM 707 CB SER A 47 4.752 3.011 -8.388 1.00 2.11 C ATOM 708 OG SER A 47 5.236 2.712 -9.686 1.00 32.22 O ATOM 0 H SER A 47 6.054 2.399 -6.343 1.00 54.33 H new ATOM 0 HA SER A 47 6.380 4.415 -8.385 1.00 51.23 H new ATOM 0 HB2 SER A 47 4.661 2.092 -7.810 1.00 2.11 H new ATOM 0 HB3 SER A 47 3.754 3.443 -8.459 1.00 2.11 H new ATOM 0 HG SER A 47 4.624 2.087 -10.127 1.00 32.22 H new ATOM 714 N GLY A 48 5.211 6.350 -7.402 1.00 30.31 N ATOM 715 CA GLY A 48 4.504 7.500 -6.869 1.00 62.23 C ATOM 716 C GLY A 48 5.251 8.161 -5.728 1.00 14.42 C ATOM 717 O GLY A 48 4.641 8.623 -4.762 1.00 52.55 O ATOM 0 H GLY A 48 5.963 6.574 -8.054 1.00 30.31 H new ATOM 0 HA2 GLY A 48 4.346 8.227 -7.666 1.00 62.23 H new ATOM 0 HA3 GLY A 48 3.519 7.188 -6.522 1.00 62.23 H new ATOM 721 N LEU A 49 6.574 8.206 -5.836 1.00 12.32 N ATOM 722 CA LEU A 49 7.405 8.815 -4.803 1.00 44.03 C ATOM 723 C LEU A 49 8.466 9.720 -5.422 1.00 24.32 C ATOM 724 O LEU A 49 9.141 9.338 -6.378 1.00 54.15 O ATOM 725 CB LEU A 49 8.074 7.732 -3.955 1.00 21.20 C ATOM 726 CG LEU A 49 8.395 8.114 -2.510 1.00 0.04 C ATOM 727 CD1 LEU A 49 8.427 6.877 -1.625 1.00 14.51 C ATOM 728 CD2 LEU A 49 9.720 8.858 -2.437 1.00 3.35 C ATOM 0 H LEU A 49 7.094 7.828 -6.628 1.00 12.32 H new ATOM 0 HA LEU A 49 6.763 9.422 -4.165 1.00 44.03 H new ATOM 0 HB2 LEU A 49 7.425 6.856 -3.943 1.00 21.20 H new ATOM 0 HB3 LEU A 49 9.001 7.435 -4.446 1.00 21.20 H new ATOM 0 HG LEU A 49 7.609 8.776 -2.146 1.00 0.04 H new ATOM 0 HD11 LEU A 49 8.657 7.169 -0.600 1.00 14.51 H new ATOM 0 HD12 LEU A 49 7.455 6.385 -1.653 1.00 14.51 H new ATOM 0 HD13 LEU A 49 9.192 6.190 -1.987 1.00 14.51 H new ATOM 0 HD21 LEU A 49 9.932 9.122 -1.401 1.00 3.35 H new ATOM 0 HD22 LEU A 49 10.517 8.220 -2.820 1.00 3.35 H new ATOM 0 HD23 LEU A 49 9.661 9.765 -3.038 1.00 3.35 H new ATOM 740 N ARG A 50 8.610 10.919 -4.868 1.00 10.14 N ATOM 741 CA ARG A 50 9.590 11.878 -5.364 1.00 73.22 C ATOM 742 C ARG A 50 10.588 12.250 -4.272 1.00 12.32 C ATOM 743 O ARG A 50 10.231 12.346 -3.097 1.00 4.14 O ATOM 744 CB ARG A 50 8.888 13.136 -5.879 1.00 61.24 C ATOM 745 CG ARG A 50 9.845 14.248 -6.276 1.00 23.04 C ATOM 746 CD ARG A 50 9.210 15.199 -7.278 1.00 10.13 C ATOM 747 NE ARG A 50 10.190 16.108 -7.867 1.00 14.02 N ATOM 748 CZ ARG A 50 9.865 17.135 -8.645 1.00 30.52 C ATOM 749 NH1 ARG A 50 8.593 17.382 -8.926 1.00 30.44 N ATOM 750 NH2 ARG A 50 10.814 17.917 -9.143 1.00 72.24 N ATOM 0 H ARG A 50 8.060 11.250 -4.075 1.00 10.14 H new ATOM 0 HA ARG A 50 10.134 11.412 -6.185 1.00 73.22 H new ATOM 0 HB2 ARG A 50 8.274 12.872 -6.740 1.00 61.24 H new ATOM 0 HB3 ARG A 50 8.213 13.507 -5.107 1.00 61.24 H new ATOM 0 HG2 ARG A 50 10.148 14.803 -5.388 1.00 23.04 H new ATOM 0 HG3 ARG A 50 10.749 13.816 -6.706 1.00 23.04 H new ATOM 0 HD2 ARG A 50 8.728 14.624 -8.069 1.00 10.13 H new ATOM 0 HD3 ARG A 50 8.430 15.778 -6.784 1.00 10.13 H new ATOM 0 HE ARG A 50 11.178 15.946 -7.670 1.00 14.02 H new ATOM 0 HH11 ARG A 50 7.861 16.783 -8.545 1.00 30.44 H new ATOM 0 HH12 ARG A 50 8.347 18.171 -9.523 1.00 30.44 H new ATOM 0 HH21 ARG A 50 11.794 17.730 -8.929 1.00 72.24 H new ATOM 0 HH22 ARG A 50 10.564 18.705 -9.740 1.00 72.24 H new ATOM 764 N LEU A 51 11.839 12.459 -4.667 1.00 32.20 N ATOM 765 CA LEU A 51 12.890 12.821 -3.722 1.00 35.52 C ATOM 766 C LEU A 51 13.885 13.786 -4.357 1.00 61.44 C ATOM 767 O LEU A 51 14.035 13.822 -5.578 1.00 64.32 O ATOM 768 CB LEU A 51 13.618 11.567 -3.234 1.00 34.21 C ATOM 769 CG LEU A 51 13.705 10.410 -4.231 1.00 15.54 C ATOM 770 CD1 LEU A 51 15.018 9.661 -4.066 1.00 15.14 C ATOM 771 CD2 LEU A 51 12.524 9.466 -4.056 1.00 51.35 C ATOM 0 H LEU A 51 12.151 12.384 -5.635 1.00 32.20 H new ATOM 0 HA LEU A 51 12.424 13.318 -2.871 1.00 35.52 H new ATOM 0 HB2 LEU A 51 14.631 11.848 -2.945 1.00 34.21 H new ATOM 0 HB3 LEU A 51 13.118 11.208 -2.334 1.00 34.21 H new ATOM 0 HG LEU A 51 13.670 10.821 -5.240 1.00 15.54 H new ATOM 0 HD11 LEU A 51 15.062 8.842 -4.783 1.00 15.14 H new ATOM 0 HD12 LEU A 51 15.850 10.343 -4.242 1.00 15.14 H new ATOM 0 HD13 LEU A 51 15.084 9.261 -3.054 1.00 15.14 H new ATOM 0 HD21 LEU A 51 12.602 8.649 -4.773 1.00 51.35 H new ATOM 0 HD22 LEU A 51 12.528 9.062 -3.044 1.00 51.35 H new ATOM 0 HD23 LEU A 51 11.595 10.010 -4.226 1.00 51.35 H new ATOM 783 N GLU A 52 14.564 14.564 -3.520 1.00 53.24 N ATOM 784 CA GLU A 52 15.546 15.528 -4.002 1.00 1.44 C ATOM 785 C GLU A 52 16.866 15.382 -3.250 1.00 31.23 C ATOM 786 O GLU A 52 16.916 15.523 -2.028 1.00 2.42 O ATOM 787 CB GLU A 52 15.013 16.954 -3.845 1.00 42.24 C ATOM 788 CG GLU A 52 13.916 17.306 -4.836 1.00 63.13 C ATOM 789 CD GLU A 52 12.527 17.106 -4.263 1.00 54.54 C ATOM 790 OE1 GLU A 52 12.284 17.561 -3.126 1.00 31.24 O ATOM 791 OE2 GLU A 52 11.682 16.496 -4.952 1.00 3.51 O ATOM 0 H GLU A 52 14.452 14.546 -2.506 1.00 53.24 H new ATOM 0 HA GLU A 52 15.725 15.328 -5.059 1.00 1.44 H new ATOM 0 HB2 GLU A 52 14.630 17.080 -2.832 1.00 42.24 H new ATOM 0 HB3 GLU A 52 15.838 17.656 -3.964 1.00 42.24 H new ATOM 0 HG2 GLU A 52 14.031 18.345 -5.146 1.00 63.13 H new ATOM 0 HG3 GLU A 52 14.028 16.692 -5.730 1.00 63.13 H new ATOM 798 N VAL A 53 17.933 15.096 -3.989 1.00 40.42 N ATOM 799 CA VAL A 53 19.254 14.931 -3.394 1.00 34.32 C ATOM 800 C VAL A 53 19.993 16.262 -3.318 1.00 20.21 C ATOM 801 O VAL A 53 20.118 16.973 -4.315 1.00 71.33 O ATOM 802 CB VAL A 53 20.107 13.927 -4.191 1.00 71.34 C ATOM 803 CG1 VAL A 53 21.444 13.697 -3.503 1.00 73.31 C ATOM 804 CG2 VAL A 53 19.357 12.615 -4.370 1.00 43.12 C ATOM 0 H VAL A 53 17.908 14.974 -5.001 1.00 40.42 H new ATOM 0 HA VAL A 53 19.101 14.546 -2.386 1.00 34.32 H new ATOM 0 HB VAL A 53 20.301 14.346 -5.178 1.00 71.34 H new ATOM 0 HG11 VAL A 53 22.033 12.985 -4.081 1.00 73.31 H new ATOM 0 HG12 VAL A 53 21.984 14.641 -3.432 1.00 73.31 H new ATOM 0 HG13 VAL A 53 21.275 13.300 -2.502 1.00 73.31 H new ATOM 0 HG21 VAL A 53 19.975 11.917 -4.935 1.00 43.12 H new ATOM 0 HG22 VAL A 53 19.130 12.189 -3.393 1.00 43.12 H new ATOM 0 HG23 VAL A 53 18.428 12.798 -4.910 1.00 43.12 H new ATOM 814 N PHE A 54 20.483 16.593 -2.128 1.00 15.32 N ATOM 815 CA PHE A 54 21.210 17.840 -1.921 1.00 1.13 C ATOM 816 C PHE A 54 22.620 17.568 -1.406 1.00 24.32 C ATOM 817 O PHE A 54 22.810 17.221 -0.240 1.00 52.42 O ATOM 818 CB PHE A 54 20.459 18.736 -0.934 1.00 33.13 C ATOM 819 CG PHE A 54 18.965 18.661 -1.073 1.00 61.14 C ATOM 820 CD1 PHE A 54 18.317 19.332 -2.098 1.00 2.34 C ATOM 821 CD2 PHE A 54 18.209 17.919 -0.180 1.00 50.20 C ATOM 822 CE1 PHE A 54 16.943 19.265 -2.229 1.00 51.12 C ATOM 823 CE2 PHE A 54 16.835 17.848 -0.307 1.00 34.01 C ATOM 824 CZ PHE A 54 16.201 18.523 -1.332 1.00 34.31 C ATOM 0 H PHE A 54 20.390 16.015 -1.293 1.00 15.32 H new ATOM 0 HA PHE A 54 21.284 18.351 -2.881 1.00 1.13 H new ATOM 0 HB2 PHE A 54 20.736 18.455 0.082 1.00 33.13 H new ATOM 0 HB3 PHE A 54 20.778 19.768 -1.078 1.00 33.13 H new ATOM 0 HD1 PHE A 54 18.893 19.914 -2.803 1.00 2.34 H new ATOM 0 HD2 PHE A 54 18.699 17.390 0.624 1.00 50.20 H new ATOM 0 HE1 PHE A 54 16.450 19.793 -3.032 1.00 51.12 H new ATOM 0 HE2 PHE A 54 16.257 17.265 0.395 1.00 34.01 H new ATOM 0 HZ PHE A 54 15.127 18.470 -1.431 1.00 34.31 H new ATOM 834 N GLN A 55 23.605 17.727 -2.284 1.00 24.52 N ATOM 835 CA GLN A 55 24.998 17.497 -1.918 1.00 62.55 C ATOM 836 C GLN A 55 25.358 18.251 -0.643 1.00 42.41 C ATOM 837 O GLN A 55 25.897 17.674 0.301 1.00 22.45 O ATOM 838 CB GLN A 55 25.924 17.926 -3.058 1.00 31.10 C ATOM 839 CG GLN A 55 27.401 17.835 -2.709 1.00 53.40 C ATOM 840 CD GLN A 55 28.283 17.710 -3.935 1.00 65.50 C ATOM 841 OE1 GLN A 55 27.857 17.997 -5.054 1.00 35.52 O ATOM 842 NE2 GLN A 55 29.523 17.279 -3.731 1.00 32.42 N ATOM 0 H GLN A 55 23.465 18.014 -3.253 1.00 24.52 H new ATOM 0 HA GLN A 55 25.128 16.430 -1.735 1.00 62.55 H new ATOM 0 HB2 GLN A 55 25.726 17.303 -3.930 1.00 31.10 H new ATOM 0 HB3 GLN A 55 25.688 18.952 -3.340 1.00 31.10 H new ATOM 0 HG2 GLN A 55 27.693 18.721 -2.145 1.00 53.40 H new ATOM 0 HG3 GLN A 55 27.565 16.975 -2.059 1.00 53.40 H new ATOM 0 HE21 GLN A 55 29.835 17.052 -2.787 1.00 32.42 H new ATOM 0 HE22 GLN A 55 30.163 17.175 -4.519 1.00 32.42 H new ATOM 851 N HIS A 56 25.057 19.546 -0.623 1.00 4.04 N ATOM 852 CA HIS A 56 25.349 20.380 0.538 1.00 43.54 C ATOM 853 C HIS A 56 24.374 20.091 1.674 1.00 33.03 C ATOM 854 O HIS A 56 23.410 19.346 1.503 1.00 30.21 O ATOM 855 CB HIS A 56 25.283 21.860 0.158 1.00 44.04 C ATOM 856 CG HIS A 56 24.180 22.183 -0.802 1.00 14.43 C ATOM 857 ND1 HIS A 56 22.869 22.358 -0.410 1.00 1.10 N ATOM 858 CD2 HIS A 56 24.197 22.366 -2.143 1.00 23.52 C ATOM 859 CE1 HIS A 56 22.128 22.632 -1.469 1.00 22.02 C ATOM 860 NE2 HIS A 56 22.910 22.643 -2.533 1.00 63.21 N ATOM 0 H HIS A 56 24.612 20.040 -1.396 1.00 4.04 H new ATOM 0 HA HIS A 56 26.357 20.144 0.880 1.00 43.54 H new ATOM 0 HB2 HIS A 56 25.151 22.453 1.063 1.00 44.04 H new ATOM 0 HB3 HIS A 56 26.235 22.156 -0.282 1.00 44.04 H new ATOM 0 HD1 HIS A 56 22.525 22.287 0.548 1.00 1.10 H new ATOM 0 HD2 HIS A 56 25.062 22.305 -2.787 1.00 23.52 H new ATOM 0 HE1 HIS A 56 21.064 22.816 -1.465 1.00 22.02 H new ATOM 868 N ASN A 57 24.632 20.685 2.835 1.00 52.01 N ATOM 869 CA ASN A 57 23.777 20.490 4.000 1.00 20.43 C ATOM 870 C ASN A 57 23.292 21.828 4.549 1.00 33.35 C ATOM 871 O ASN A 57 23.023 21.960 5.743 1.00 60.43 O ATOM 872 CB ASN A 57 24.531 19.722 5.088 1.00 15.15 C ATOM 873 CG ASN A 57 25.467 20.613 5.881 1.00 45.00 C ATOM 874 OD1 ASN A 57 26.267 21.355 5.310 1.00 24.34 O ATOM 875 ND2 ASN A 57 25.372 20.543 7.204 1.00 42.43 N ATOM 0 H ASN A 57 25.426 21.305 2.994 1.00 52.01 H new ATOM 0 HA ASN A 57 22.908 19.909 3.690 1.00 20.43 H new ATOM 0 HB2 ASN A 57 23.814 19.259 5.766 1.00 15.15 H new ATOM 0 HB3 ASN A 57 25.103 18.915 4.630 1.00 15.15 H new ATOM 0 HD21 ASN A 57 25.977 21.119 7.790 1.00 42.43 H new ATOM 0 HD22 ASN A 57 24.694 19.914 7.634 1.00 42.43 H new ATOM 882 N ASN A 58 23.182 22.817 3.669 1.00 15.53 N ATOM 883 CA ASN A 58 22.728 24.146 4.066 1.00 64.24 C ATOM 884 C ASN A 58 21.798 24.740 3.013 1.00 75.32 C ATOM 885 O ASN A 58 21.466 25.925 3.059 1.00 60.50 O ATOM 886 CB ASN A 58 23.927 25.072 4.284 1.00 55.11 C ATOM 887 CG ASN A 58 24.614 24.825 5.613 1.00 60.52 C ATOM 888 OD1 ASN A 58 25.700 24.247 5.664 1.00 31.24 O ATOM 889 ND2 ASN A 58 23.982 25.262 6.696 1.00 65.20 N ATOM 0 H ASN A 58 23.401 22.724 2.677 1.00 15.53 H new ATOM 0 HA ASN A 58 22.175 24.050 5.001 1.00 64.24 H new ATOM 0 HB2 ASN A 58 24.644 24.930 3.475 1.00 55.11 H new ATOM 0 HB3 ASN A 58 23.595 26.109 4.237 1.00 55.11 H new ATOM 0 HD21 ASN A 58 24.395 25.124 7.618 1.00 65.20 H new ATOM 0 HD22 ASN A 58 23.083 25.736 6.606 1.00 65.20 H new ATOM 896 N PHE A 59 21.379 23.908 2.065 1.00 54.14 N ATOM 897 CA PHE A 59 20.486 24.350 1.000 1.00 41.34 C ATOM 898 C PHE A 59 20.996 25.640 0.363 1.00 11.12 C ATOM 899 O PHE A 59 20.283 26.642 0.305 1.00 34.04 O ATOM 900 CB PHE A 59 19.072 24.562 1.545 1.00 22.31 C ATOM 901 CG PHE A 59 18.248 23.306 1.576 1.00 10.44 C ATOM 902 CD1 PHE A 59 18.402 22.386 2.601 1.00 63.05 C ATOM 903 CD2 PHE A 59 17.318 23.047 0.582 1.00 5.22 C ATOM 904 CE1 PHE A 59 17.646 21.230 2.631 1.00 34.12 C ATOM 905 CE2 PHE A 59 16.559 21.893 0.608 1.00 74.22 C ATOM 906 CZ PHE A 59 16.722 20.984 1.634 1.00 32.43 C ATOM 0 H PHE A 59 21.643 22.924 2.013 1.00 54.14 H new ATOM 0 HA PHE A 59 20.461 23.573 0.236 1.00 41.34 H new ATOM 0 HB2 PHE A 59 19.137 24.970 2.554 1.00 22.31 H new ATOM 0 HB3 PHE A 59 18.563 25.306 0.933 1.00 22.31 H new ATOM 0 HD1 PHE A 59 19.121 22.575 3.385 1.00 63.05 H new ATOM 0 HD2 PHE A 59 17.185 23.755 -0.222 1.00 5.22 H new ATOM 0 HE1 PHE A 59 17.777 20.519 3.433 1.00 34.12 H new ATOM 0 HE2 PHE A 59 15.839 21.702 -0.174 1.00 74.22 H new ATOM 0 HZ PHE A 59 16.128 20.082 1.657 1.00 32.43 H new ATOM 916 N LYS A 60 22.236 25.608 -0.113 1.00 72.32 N ATOM 917 CA LYS A 60 22.843 26.772 -0.746 1.00 43.14 C ATOM 918 C LYS A 60 23.096 26.516 -2.229 1.00 32.43 C ATOM 919 O LYS A 60 22.638 27.270 -3.086 1.00 31.21 O ATOM 920 CB LYS A 60 24.158 27.130 -0.049 1.00 14.12 C ATOM 921 CG LYS A 60 25.090 27.972 -0.903 1.00 31.22 C ATOM 922 CD LYS A 60 26.159 27.120 -1.566 1.00 42.35 C ATOM 923 CE LYS A 60 27.534 27.391 -0.975 1.00 30.02 C ATOM 924 NZ LYS A 60 28.394 28.174 -1.905 1.00 32.10 N ATOM 0 H LYS A 60 22.841 24.787 -0.072 1.00 72.32 H new ATOM 0 HA LYS A 60 22.149 27.607 -0.652 1.00 43.14 H new ATOM 0 HB2 LYS A 60 23.936 27.669 0.872 1.00 14.12 H new ATOM 0 HB3 LYS A 60 24.671 26.211 0.235 1.00 14.12 H new ATOM 0 HG2 LYS A 60 24.513 28.494 -1.667 1.00 31.22 H new ATOM 0 HG3 LYS A 60 25.563 28.735 -0.284 1.00 31.22 H new ATOM 0 HD2 LYS A 60 25.912 26.065 -1.446 1.00 42.35 H new ATOM 0 HD3 LYS A 60 26.176 27.323 -2.637 1.00 42.35 H new ATOM 0 HE2 LYS A 60 27.425 27.935 -0.037 1.00 30.02 H new ATOM 0 HE3 LYS A 60 28.021 26.445 -0.740 1.00 30.02 H new ATOM 0 HZ1 LYS A 60 29.322 28.338 -1.465 1.00 32.10 H new ATOM 0 HZ2 LYS A 60 28.519 27.644 -2.791 1.00 32.10 H new ATOM 0 HZ3 LYS A 60 27.942 29.088 -2.109 1.00 32.10 H new ATOM 938 N GLY A 61 23.827 25.445 -2.523 1.00 72.34 N ATOM 939 CA GLY A 61 24.126 25.107 -3.903 1.00 11.41 C ATOM 940 C GLY A 61 22.889 24.711 -4.684 1.00 71.21 C ATOM 941 O GLY A 61 21.802 25.240 -4.451 1.00 1.03 O ATOM 0 H GLY A 61 24.217 24.806 -1.831 1.00 72.34 H new ATOM 0 HA2 GLY A 61 24.601 25.960 -4.388 1.00 11.41 H new ATOM 0 HA3 GLY A 61 24.844 24.287 -3.926 1.00 11.41 H new ATOM 945 N VAL A 62 23.053 23.777 -5.616 1.00 43.30 N ATOM 946 CA VAL A 62 21.941 23.310 -6.435 1.00 42.41 C ATOM 947 C VAL A 62 21.342 22.028 -5.869 1.00 11.23 C ATOM 948 O VAL A 62 22.041 21.224 -5.253 1.00 31.45 O ATOM 949 CB VAL A 62 22.382 23.059 -7.889 1.00 51.44 C ATOM 950 CG1 VAL A 62 23.012 24.311 -8.480 1.00 42.32 C ATOM 951 CG2 VAL A 62 23.345 21.884 -7.958 1.00 42.04 C ATOM 0 H VAL A 62 23.946 23.329 -5.822 1.00 43.30 H new ATOM 0 HA VAL A 62 21.186 24.096 -6.422 1.00 42.41 H new ATOM 0 HB VAL A 62 21.500 22.812 -8.480 1.00 51.44 H new ATOM 0 HG11 VAL A 62 23.317 24.114 -9.508 1.00 42.32 H new ATOM 0 HG12 VAL A 62 22.287 25.124 -8.466 1.00 42.32 H new ATOM 0 HG13 VAL A 62 23.884 24.593 -7.890 1.00 42.32 H new ATOM 0 HG21 VAL A 62 23.646 21.721 -8.993 1.00 42.04 H new ATOM 0 HG22 VAL A 62 24.226 22.099 -7.353 1.00 42.04 H new ATOM 0 HG23 VAL A 62 22.854 20.988 -7.578 1.00 42.04 H new ATOM 961 N ARG A 63 20.043 21.844 -6.082 1.00 1.00 N ATOM 962 CA ARG A 63 19.349 20.659 -5.592 1.00 52.30 C ATOM 963 C ARG A 63 19.116 19.660 -6.721 1.00 64.50 C ATOM 964 O ARG A 63 19.093 20.029 -7.895 1.00 73.53 O ATOM 965 CB ARG A 63 18.012 21.051 -4.960 1.00 31.44 C ATOM 966 CG ARG A 63 17.125 21.879 -5.874 1.00 73.15 C ATOM 967 CD ARG A 63 15.826 22.270 -5.187 1.00 30.33 C ATOM 968 NE ARG A 63 15.256 23.491 -5.748 1.00 15.52 N ATOM 969 CZ ARG A 63 14.237 24.145 -5.201 1.00 12.41 C ATOM 970 NH1 ARG A 63 13.680 23.697 -4.084 1.00 52.33 N ATOM 971 NH2 ARG A 63 13.774 25.251 -5.771 1.00 34.51 N ATOM 0 H ARG A 63 19.450 22.500 -6.590 1.00 1.00 H new ATOM 0 HA ARG A 63 19.977 20.187 -4.836 1.00 52.30 H new ATOM 0 HB2 ARG A 63 17.477 20.146 -4.671 1.00 31.44 H new ATOM 0 HB3 ARG A 63 18.203 21.614 -4.046 1.00 31.44 H new ATOM 0 HG2 ARG A 63 17.659 22.778 -6.184 1.00 73.15 H new ATOM 0 HG3 ARG A 63 16.903 21.312 -6.778 1.00 73.15 H new ATOM 0 HD2 ARG A 63 15.106 21.457 -5.283 1.00 30.33 H new ATOM 0 HD3 ARG A 63 16.008 22.411 -4.122 1.00 30.33 H new ATOM 0 HE ARG A 63 15.662 23.862 -6.607 1.00 15.52 H new ATOM 0 HH11 ARG A 63 14.034 22.848 -3.643 1.00 52.33 H new ATOM 0 HH12 ARG A 63 12.898 24.201 -3.666 1.00 52.33 H new ATOM 0 HH21 ARG A 63 14.201 25.599 -6.630 1.00 34.51 H new ATOM 0 HH22 ARG A 63 12.992 25.752 -5.350 1.00 34.51 H new ATOM 985 N ASP A 64 18.946 18.393 -6.357 1.00 40.41 N ATOM 986 CA ASP A 64 18.715 17.340 -7.339 1.00 10.12 C ATOM 987 C ASP A 64 17.316 16.751 -7.185 1.00 22.02 C ATOM 988 O ASP A 64 16.566 17.133 -6.286 1.00 60.34 O ATOM 989 CB ASP A 64 19.765 16.238 -7.192 1.00 61.35 C ATOM 990 CG ASP A 64 20.361 15.825 -8.524 1.00 41.31 C ATOM 991 OD1 ASP A 64 19.632 15.222 -9.339 1.00 11.15 O ATOM 992 OD2 ASP A 64 21.557 16.105 -8.751 1.00 50.14 O ATOM 0 H ASP A 64 18.964 18.071 -5.389 1.00 40.41 H new ATOM 0 HA ASP A 64 18.797 17.779 -8.333 1.00 10.12 H new ATOM 0 HB2 ASP A 64 20.561 16.584 -6.533 1.00 61.35 H new ATOM 0 HB3 ASP A 64 19.311 15.369 -6.715 1.00 61.35 H new ATOM 997 N PHE A 65 16.971 15.820 -8.068 1.00 25.31 N ATOM 998 CA PHE A 65 15.662 15.179 -8.032 1.00 11.24 C ATOM 999 C PHE A 65 15.705 13.815 -8.714 1.00 34.12 C ATOM 1000 O PHE A 65 16.427 13.620 -9.692 1.00 0.04 O ATOM 1001 CB PHE A 65 14.617 16.068 -8.709 1.00 12.11 C ATOM 1002 CG PHE A 65 15.023 16.534 -10.078 1.00 34.20 C ATOM 1003 CD1 PHE A 65 14.719 15.778 -11.199 1.00 42.42 C ATOM 1004 CD2 PHE A 65 15.707 17.727 -10.244 1.00 12.12 C ATOM 1005 CE1 PHE A 65 15.092 16.204 -12.460 1.00 42.30 C ATOM 1006 CE2 PHE A 65 16.082 18.158 -11.502 1.00 40.43 C ATOM 1007 CZ PHE A 65 15.773 17.396 -12.612 1.00 3.31 C ATOM 0 H PHE A 65 17.580 15.492 -8.818 1.00 25.31 H new ATOM 0 HA PHE A 65 15.385 15.034 -6.988 1.00 11.24 H new ATOM 0 HB2 PHE A 65 13.678 15.519 -8.784 1.00 12.11 H new ATOM 0 HB3 PHE A 65 14.428 16.937 -8.079 1.00 12.11 H new ATOM 0 HD1 PHE A 65 14.185 14.846 -11.086 1.00 42.42 H new ATOM 0 HD2 PHE A 65 15.950 18.327 -9.380 1.00 12.12 H new ATOM 0 HE1 PHE A 65 14.851 15.605 -13.326 1.00 42.30 H new ATOM 0 HE2 PHE A 65 16.616 19.090 -11.617 1.00 40.43 H new ATOM 0 HZ PHE A 65 16.063 17.732 -13.597 1.00 3.31 H new ATOM 1017 N TYR A 66 14.926 12.874 -8.191 1.00 4.24 N ATOM 1018 CA TYR A 66 14.877 11.527 -8.746 1.00 51.03 C ATOM 1019 C TYR A 66 13.500 10.903 -8.540 1.00 51.24 C ATOM 1020 O TYR A 66 12.979 10.872 -7.425 1.00 20.51 O ATOM 1021 CB TYR A 66 15.949 10.647 -8.102 1.00 3.13 C ATOM 1022 CG TYR A 66 17.011 10.178 -9.071 1.00 52.20 C ATOM 1023 CD1 TYR A 66 16.664 9.598 -10.285 1.00 31.12 C ATOM 1024 CD2 TYR A 66 18.361 10.317 -8.773 1.00 70.52 C ATOM 1025 CE1 TYR A 66 17.630 9.167 -11.173 1.00 5.52 C ATOM 1026 CE2 TYR A 66 19.334 9.890 -9.656 1.00 4.31 C ATOM 1027 CZ TYR A 66 18.964 9.316 -10.854 1.00 62.01 C ATOM 1028 OH TYR A 66 19.930 8.890 -11.737 1.00 21.23 O ATOM 0 H TYR A 66 14.320 13.020 -7.384 1.00 4.24 H new ATOM 0 HA TYR A 66 15.069 11.596 -9.817 1.00 51.03 H new ATOM 0 HB2 TYR A 66 16.426 11.202 -7.294 1.00 3.13 H new ATOM 0 HB3 TYR A 66 15.471 9.777 -7.652 1.00 3.13 H new ATOM 0 HD1 TYR A 66 15.621 9.482 -10.539 1.00 31.12 H new ATOM 0 HD2 TYR A 66 18.655 10.766 -7.836 1.00 70.52 H new ATOM 0 HE1 TYR A 66 17.343 8.716 -12.111 1.00 5.52 H new ATOM 0 HE2 TYR A 66 20.379 10.005 -9.409 1.00 4.31 H new ATOM 0 HH TYR A 66 20.818 9.068 -11.362 1.00 21.23 H new ATOM 1038 N THR A 67 12.914 10.406 -9.626 1.00 3.24 N ATOM 1039 CA THR A 67 11.598 9.783 -9.566 1.00 41.25 C ATOM 1040 C THR A 67 11.618 8.395 -10.196 1.00 51.24 C ATOM 1041 O THR A 67 10.725 8.039 -10.965 1.00 51.22 O ATOM 1042 CB THR A 67 10.537 10.643 -10.279 1.00 61.12 C ATOM 1043 OG1 THR A 67 9.250 10.027 -10.164 1.00 74.02 O ATOM 1044 CG2 THR A 67 10.887 10.827 -11.748 1.00 44.10 C ATOM 0 H THR A 67 13.331 10.423 -10.557 1.00 3.24 H new ATOM 0 HA THR A 67 11.336 9.697 -8.511 1.00 41.25 H new ATOM 0 HB THR A 67 10.515 11.623 -9.802 1.00 61.12 H new ATOM 0 HG1 THR A 67 9.283 9.126 -10.548 1.00 74.02 H new ATOM 0 HG21 THR A 67 10.123 11.437 -12.230 1.00 44.10 H new ATOM 0 HG22 THR A 67 11.854 11.322 -11.832 1.00 44.10 H new ATOM 0 HG23 THR A 67 10.934 9.853 -12.235 1.00 44.10 H new ATOM 1052 N SER A 68 12.642 7.615 -9.865 1.00 74.33 N ATOM 1053 CA SER A 68 12.779 6.266 -10.402 1.00 30.34 C ATOM 1054 C SER A 68 13.920 5.522 -9.715 1.00 65.21 C ATOM 1055 O SER A 68 14.702 6.113 -8.970 1.00 33.05 O ATOM 1056 CB SER A 68 13.023 6.317 -11.911 1.00 62.40 C ATOM 1057 OG SER A 68 11.848 5.982 -12.629 1.00 43.53 O ATOM 0 H SER A 68 13.388 7.894 -9.228 1.00 74.33 H new ATOM 0 HA SER A 68 11.850 5.729 -10.210 1.00 30.34 H new ATOM 0 HB2 SER A 68 13.355 7.316 -12.195 1.00 62.40 H new ATOM 0 HB3 SER A 68 13.824 5.627 -12.177 1.00 62.40 H new ATOM 0 HG SER A 68 11.109 6.551 -12.330 1.00 43.53 H new ATOM 1063 N ASP A 69 14.010 4.222 -9.972 1.00 70.44 N ATOM 1064 CA ASP A 69 15.056 3.395 -9.381 1.00 10.31 C ATOM 1065 C ASP A 69 16.432 4.009 -9.617 1.00 43.42 C ATOM 1066 O ASP A 69 16.983 3.920 -10.714 1.00 72.51 O ATOM 1067 CB ASP A 69 15.008 1.981 -9.962 1.00 1.33 C ATOM 1068 CG ASP A 69 14.799 1.979 -11.463 1.00 73.02 C ATOM 1069 OD1 ASP A 69 15.801 2.069 -12.203 1.00 3.13 O ATOM 1070 OD2 ASP A 69 13.632 1.886 -11.899 1.00 3.10 O ATOM 0 H ASP A 69 13.371 3.717 -10.586 1.00 70.44 H new ATOM 0 HA ASP A 69 14.880 3.343 -8.306 1.00 10.31 H new ATOM 0 HB2 ASP A 69 15.938 1.463 -9.727 1.00 1.33 H new ATOM 0 HB3 ASP A 69 14.203 1.423 -9.485 1.00 1.33 H new ATOM 1075 N ALA A 70 16.982 4.634 -8.581 1.00 13.32 N ATOM 1076 CA ALA A 70 18.294 5.262 -8.675 1.00 54.44 C ATOM 1077 C ALA A 70 19.407 4.225 -8.579 1.00 1.12 C ATOM 1078 O ALA A 70 19.885 3.913 -7.488 1.00 74.15 O ATOM 1079 CB ALA A 70 18.454 6.315 -7.589 1.00 24.15 C ATOM 0 H ALA A 70 16.539 4.719 -7.666 1.00 13.32 H new ATOM 0 HA ALA A 70 18.369 5.747 -9.648 1.00 54.44 H new ATOM 0 HB1 ALA A 70 19.438 6.776 -7.671 1.00 24.15 H new ATOM 0 HB2 ALA A 70 17.685 7.079 -7.706 1.00 24.15 H new ATOM 0 HB3 ALA A 70 18.353 5.846 -6.610 1.00 24.15 H new ATOM 1085 N ALA A 71 19.816 3.694 -9.726 1.00 72.25 N ATOM 1086 CA ALA A 71 20.874 2.692 -9.771 1.00 1.53 C ATOM 1087 C ALA A 71 22.236 3.320 -9.493 1.00 13.14 C ATOM 1088 O ALA A 71 23.208 2.618 -9.216 1.00 74.14 O ATOM 1089 CB ALA A 71 20.880 1.990 -11.121 1.00 2.44 C ATOM 0 H ALA A 71 19.431 3.941 -10.637 1.00 72.25 H new ATOM 0 HA ALA A 71 20.676 1.955 -8.992 1.00 1.53 H new ATOM 0 HB1 ALA A 71 21.675 1.245 -11.140 1.00 2.44 H new ATOM 0 HB2 ALA A 71 19.919 1.500 -11.281 1.00 2.44 H new ATOM 0 HB3 ALA A 71 21.050 2.722 -11.911 1.00 2.44 H new ATOM 1095 N GLU A 72 22.298 4.646 -9.568 1.00 73.12 N ATOM 1096 CA GLU A 72 23.542 5.367 -9.326 1.00 32.22 C ATOM 1097 C GLU A 72 23.276 6.683 -8.601 1.00 15.01 C ATOM 1098 O GLU A 72 22.407 7.460 -9.000 1.00 0.12 O ATOM 1099 CB GLU A 72 24.266 5.637 -10.646 1.00 65.41 C ATOM 1100 CG GLU A 72 25.781 5.594 -10.529 1.00 72.31 C ATOM 1101 CD GLU A 72 26.433 6.906 -10.919 1.00 65.43 C ATOM 1102 OE1 GLU A 72 26.681 7.110 -12.126 1.00 14.20 O ATOM 1103 OE2 GLU A 72 26.697 7.728 -10.017 1.00 33.01 O ATOM 0 H GLU A 72 21.502 5.242 -9.794 1.00 73.12 H new ATOM 0 HA GLU A 72 24.175 4.745 -8.693 1.00 32.22 H new ATOM 0 HB2 GLU A 72 23.946 4.901 -11.383 1.00 65.41 H new ATOM 0 HB3 GLU A 72 23.967 6.615 -11.021 1.00 65.41 H new ATOM 0 HG2 GLU A 72 26.056 5.347 -9.504 1.00 72.31 H new ATOM 0 HG3 GLU A 72 26.168 4.797 -11.164 1.00 72.31 H new ATOM 1110 N LEU A 73 24.028 6.926 -7.534 1.00 2.43 N ATOM 1111 CA LEU A 73 23.874 8.148 -6.751 1.00 43.15 C ATOM 1112 C LEU A 73 23.911 9.379 -7.651 1.00 44.23 C ATOM 1113 O LEU A 73 24.639 9.413 -8.644 1.00 11.33 O ATOM 1114 CB LEU A 73 24.975 8.242 -5.694 1.00 5.02 C ATOM 1115 CG LEU A 73 24.651 9.084 -4.460 1.00 15.15 C ATOM 1116 CD1 LEU A 73 24.716 10.567 -4.792 1.00 73.45 C ATOM 1117 CD2 LEU A 73 23.279 8.719 -3.911 1.00 21.34 C ATOM 0 H LEU A 73 24.751 6.294 -7.190 1.00 2.43 H new ATOM 0 HA LEU A 73 22.904 8.112 -6.254 1.00 43.15 H new ATOM 0 HB2 LEU A 73 25.223 7.233 -5.365 1.00 5.02 H new ATOM 0 HB3 LEU A 73 25.869 8.652 -6.165 1.00 5.02 H new ATOM 0 HG LEU A 73 25.396 8.872 -3.694 1.00 15.15 H new ATOM 0 HD11 LEU A 73 24.482 11.150 -3.901 1.00 73.45 H new ATOM 0 HD12 LEU A 73 25.719 10.819 -5.138 1.00 73.45 H new ATOM 0 HD13 LEU A 73 23.994 10.796 -5.575 1.00 73.45 H new ATOM 0 HD21 LEU A 73 23.065 9.328 -3.033 1.00 21.34 H new ATOM 0 HD22 LEU A 73 22.522 8.902 -4.673 1.00 21.34 H new ATOM 0 HD23 LEU A 73 23.267 7.665 -3.633 1.00 21.34 H new ATOM 1129 N SER A 74 23.124 10.389 -7.296 1.00 52.33 N ATOM 1130 CA SER A 74 23.065 11.622 -8.073 1.00 3.34 C ATOM 1131 C SER A 74 24.468 12.128 -8.395 1.00 40.32 C ATOM 1132 O SER A 74 25.154 12.679 -7.534 1.00 43.13 O ATOM 1133 CB SER A 74 22.287 12.695 -7.308 1.00 23.01 C ATOM 1134 OG SER A 74 20.894 12.572 -7.533 1.00 53.11 O ATOM 0 H SER A 74 22.518 10.378 -6.475 1.00 52.33 H new ATOM 0 HA SER A 74 22.550 11.408 -9.010 1.00 3.34 H new ATOM 0 HB2 SER A 74 22.495 12.609 -6.242 1.00 23.01 H new ATOM 0 HB3 SER A 74 22.623 13.684 -7.620 1.00 23.01 H new ATOM 0 HG SER A 74 20.701 11.692 -7.919 1.00 53.11 H new ATOM 1140 N ARG A 75 24.887 11.937 -9.642 1.00 21.22 N ATOM 1141 CA ARG A 75 26.208 12.372 -10.079 1.00 40.01 C ATOM 1142 C ARG A 75 27.303 11.558 -9.396 1.00 34.42 C ATOM 1143 O ARG A 75 27.854 10.626 -9.982 1.00 20.45 O ATOM 1144 CB ARG A 75 26.403 13.860 -9.781 1.00 31.32 C ATOM 1145 CG ARG A 75 26.447 14.730 -11.026 1.00 61.02 C ATOM 1146 CD ARG A 75 25.214 15.613 -11.133 1.00 35.21 C ATOM 1147 NE ARG A 75 23.981 14.859 -10.922 1.00 72.55 N ATOM 1148 CZ ARG A 75 23.428 14.081 -11.847 1.00 21.11 C ATOM 1149 NH1 ARG A 75 23.996 13.956 -13.038 1.00 60.44 N ATOM 1150 NH2 ARG A 75 22.305 13.426 -11.580 1.00 2.20 N ATOM 0 H ARG A 75 24.331 11.484 -10.367 1.00 21.22 H new ATOM 0 HA ARG A 75 26.278 12.211 -11.155 1.00 40.01 H new ATOM 0 HB2 ARG A 75 25.592 14.202 -9.137 1.00 31.32 H new ATOM 0 HB3 ARG A 75 27.330 13.992 -9.223 1.00 31.32 H new ATOM 0 HG2 ARG A 75 27.341 15.353 -11.004 1.00 61.02 H new ATOM 0 HG3 ARG A 75 26.521 14.097 -11.911 1.00 61.02 H new ATOM 0 HD2 ARG A 75 25.278 16.416 -10.399 1.00 35.21 H new ATOM 0 HD3 ARG A 75 25.188 16.082 -12.117 1.00 35.21 H new ATOM 0 HE ARG A 75 23.519 14.934 -10.016 1.00 72.55 H new ATOM 0 HH11 ARG A 75 24.859 14.457 -13.246 1.00 60.44 H new ATOM 0 HH12 ARG A 75 23.570 13.358 -13.746 1.00 60.44 H new ATOM 0 HH21 ARG A 75 21.866 13.519 -10.664 1.00 2.20 H new ATOM 0 HH22 ARG A 75 21.881 12.829 -12.291 1.00 2.20 H new ATOM 1164 N ASP A 76 27.612 11.916 -8.155 1.00 11.23 N ATOM 1165 CA ASP A 76 28.640 11.219 -7.391 1.00 61.30 C ATOM 1166 C ASP A 76 28.184 10.982 -5.955 1.00 12.53 C ATOM 1167 O ASP A 76 27.302 11.677 -5.451 1.00 70.12 O ATOM 1168 CB ASP A 76 29.943 12.019 -7.400 1.00 44.12 C ATOM 1169 CG ASP A 76 31.167 11.131 -7.508 1.00 44.13 C ATOM 1170 OD1 ASP A 76 31.323 10.461 -8.550 1.00 63.31 O ATOM 1171 OD2 ASP A 76 31.969 11.106 -6.551 1.00 31.23 O ATOM 0 H ASP A 76 27.165 12.685 -7.656 1.00 11.23 H new ATOM 0 HA ASP A 76 28.814 10.251 -7.862 1.00 61.30 H new ATOM 0 HB2 ASP A 76 29.931 12.719 -8.236 1.00 44.12 H new ATOM 0 HB3 ASP A 76 30.008 12.613 -6.488 1.00 44.12 H new ATOM 1176 N ASN A 77 28.790 9.997 -5.301 1.00 61.20 N ATOM 1177 CA ASN A 77 28.445 9.668 -3.923 1.00 32.32 C ATOM 1178 C ASN A 77 28.817 10.809 -2.981 1.00 52.24 C ATOM 1179 O ASN A 77 29.910 10.830 -2.416 1.00 44.13 O ATOM 1180 CB ASN A 77 29.154 8.383 -3.490 1.00 44.12 C ATOM 1181 CG ASN A 77 30.615 8.364 -3.897 1.00 41.24 C ATOM 1182 OD1 ASN A 77 31.213 9.409 -4.153 1.00 4.42 O ATOM 1183 ND2 ASN A 77 31.196 7.172 -3.960 1.00 63.21 N ATOM 0 H ASN A 77 29.523 9.412 -5.703 1.00 61.20 H new ATOM 0 HA ASN A 77 27.367 9.515 -3.872 1.00 32.32 H new ATOM 0 HB2 ASN A 77 29.080 8.277 -2.408 1.00 44.12 H new ATOM 0 HB3 ASN A 77 28.646 7.525 -3.930 1.00 44.12 H new ATOM 0 HD21 ASN A 77 32.177 7.096 -4.229 1.00 63.21 H new ATOM 0 HD22 ASN A 77 30.662 6.332 -3.739 1.00 63.21 H new ATOM 1190 N ASP A 78 27.900 11.756 -2.818 1.00 13.23 N ATOM 1191 CA ASP A 78 28.130 12.901 -1.943 1.00 71.55 C ATOM 1192 C ASP A 78 26.834 13.668 -1.700 1.00 61.12 C ATOM 1193 O ASP A 78 26.670 14.793 -2.170 1.00 51.14 O ATOM 1194 CB ASP A 78 29.181 13.830 -2.551 1.00 43.32 C ATOM 1195 CG ASP A 78 29.821 14.735 -1.517 1.00 2.23 C ATOM 1196 OD1 ASP A 78 29.076 15.385 -0.754 1.00 54.20 O ATOM 1197 OD2 ASP A 78 31.068 14.793 -1.469 1.00 74.22 O ATOM 0 H ASP A 78 26.991 11.754 -3.280 1.00 13.23 H new ATOM 0 HA ASP A 78 28.495 12.529 -0.986 1.00 71.55 H new ATOM 0 HB2 ASP A 78 29.954 13.232 -3.035 1.00 43.32 H new ATOM 0 HB3 ASP A 78 28.718 14.440 -3.326 1.00 43.32 H new ATOM 1202 N ALA A 79 25.916 13.051 -0.963 1.00 62.44 N ATOM 1203 CA ALA A 79 24.636 13.676 -0.657 1.00 74.31 C ATOM 1204 C ALA A 79 24.475 13.891 0.844 1.00 33.50 C ATOM 1205 O ALA A 79 24.026 12.998 1.564 1.00 41.42 O ATOM 1206 CB ALA A 79 23.492 12.829 -1.197 1.00 25.25 C ATOM 0 H ALA A 79 26.036 12.119 -0.567 1.00 62.44 H new ATOM 0 HA ALA A 79 24.611 14.652 -1.142 1.00 74.31 H new ATOM 0 HB1 ALA A 79 22.542 13.308 -0.961 1.00 25.25 H new ATOM 0 HB2 ALA A 79 23.591 12.731 -2.278 1.00 25.25 H new ATOM 0 HB3 ALA A 79 23.524 11.840 -0.739 1.00 25.25 H new ATOM 1212 N SER A 80 24.844 15.079 1.310 1.00 44.20 N ATOM 1213 CA SER A 80 24.745 15.409 2.727 1.00 42.41 C ATOM 1214 C SER A 80 23.296 15.347 3.199 1.00 32.41 C ATOM 1215 O SER A 80 22.976 14.657 4.167 1.00 20.21 O ATOM 1216 CB SER A 80 25.319 16.803 2.989 1.00 51.32 C ATOM 1217 OG SER A 80 26.690 16.864 2.638 1.00 5.40 O ATOM 0 H SER A 80 25.214 15.830 0.727 1.00 44.20 H new ATOM 0 HA SER A 80 25.323 14.674 3.287 1.00 42.41 H new ATOM 0 HB2 SER A 80 24.760 17.543 2.416 1.00 51.32 H new ATOM 0 HB3 SER A 80 25.198 17.057 4.042 1.00 51.32 H new ATOM 0 HG SER A 80 26.794 17.384 1.814 1.00 5.40 H new ATOM 1223 N SER A 81 22.423 16.072 2.508 1.00 52.52 N ATOM 1224 CA SER A 81 21.008 16.103 2.858 1.00 55.34 C ATOM 1225 C SER A 81 20.147 15.655 1.680 1.00 10.41 C ATOM 1226 O SER A 81 20.478 15.910 0.522 1.00 62.40 O ATOM 1227 CB SER A 81 20.599 17.511 3.296 1.00 43.23 C ATOM 1228 OG SER A 81 19.192 17.672 3.248 1.00 43.44 O ATOM 0 H SER A 81 22.671 16.646 1.702 1.00 52.52 H new ATOM 0 HA SER A 81 20.849 15.412 3.686 1.00 55.34 H new ATOM 0 HB2 SER A 81 20.955 17.698 4.309 1.00 43.23 H new ATOM 0 HB3 SER A 81 21.075 18.249 2.650 1.00 43.23 H new ATOM 0 HG SER A 81 18.867 17.971 4.123 1.00 43.44 H new ATOM 1234 N VAL A 82 19.040 14.986 1.985 1.00 14.43 N ATOM 1235 CA VAL A 82 18.130 14.503 0.954 1.00 54.03 C ATOM 1236 C VAL A 82 16.676 14.652 1.389 1.00 23.55 C ATOM 1237 O VAL A 82 16.368 14.613 2.581 1.00 73.44 O ATOM 1238 CB VAL A 82 18.403 13.027 0.611 1.00 61.50 C ATOM 1239 CG1 VAL A 82 17.998 12.727 -0.824 1.00 50.53 C ATOM 1240 CG2 VAL A 82 19.868 12.689 0.841 1.00 4.14 C ATOM 0 H VAL A 82 18.752 14.766 2.938 1.00 14.43 H new ATOM 0 HA VAL A 82 18.305 15.113 0.068 1.00 54.03 H new ATOM 0 HB VAL A 82 17.801 12.402 1.271 1.00 61.50 H new ATOM 0 HG11 VAL A 82 18.199 11.679 -1.047 1.00 50.53 H new ATOM 0 HG12 VAL A 82 16.934 12.928 -0.951 1.00 50.53 H new ATOM 0 HG13 VAL A 82 18.570 13.359 -1.503 1.00 50.53 H new ATOM 0 HG21 VAL A 82 20.043 11.642 0.594 1.00 4.14 H new ATOM 0 HG22 VAL A 82 20.491 13.321 0.208 1.00 4.14 H new ATOM 0 HG23 VAL A 82 20.121 12.862 1.887 1.00 4.14 H new ATOM 1250 N ARG A 83 15.787 14.821 0.417 1.00 50.34 N ATOM 1251 CA ARG A 83 14.365 14.976 0.700 1.00 42.44 C ATOM 1252 C ARG A 83 13.563 13.823 0.104 1.00 24.20 C ATOM 1253 O ARG A 83 13.881 13.325 -0.976 1.00 73.31 O ATOM 1254 CB ARG A 83 13.855 16.307 0.143 1.00 31.03 C ATOM 1255 CG ARG A 83 13.710 17.392 1.197 1.00 2.44 C ATOM 1256 CD ARG A 83 13.370 18.736 0.571 1.00 64.31 C ATOM 1257 NE ARG A 83 12.377 19.468 1.352 1.00 41.23 N ATOM 1258 CZ ARG A 83 11.873 20.641 0.984 1.00 32.14 C ATOM 1259 NH1 ARG A 83 12.266 21.211 -0.146 1.00 63.32 N ATOM 1260 NH2 ARG A 83 10.972 21.246 1.749 1.00 63.15 N ATOM 0 H ARG A 83 16.026 14.854 -0.574 1.00 50.34 H new ATOM 0 HA ARG A 83 14.232 14.967 1.782 1.00 42.44 H new ATOM 0 HB2 ARG A 83 14.540 16.653 -0.631 1.00 31.03 H new ATOM 0 HB3 ARG A 83 12.889 16.145 -0.335 1.00 31.03 H new ATOM 0 HG2 ARG A 83 12.930 17.111 1.905 1.00 2.44 H new ATOM 0 HG3 ARG A 83 14.638 17.477 1.763 1.00 2.44 H new ATOM 0 HD2 ARG A 83 14.276 19.335 0.484 1.00 64.31 H new ATOM 0 HD3 ARG A 83 12.993 18.580 -0.440 1.00 64.31 H new ATOM 0 HE ARG A 83 12.053 19.057 2.227 1.00 41.23 H new ATOM 0 HH11 ARG A 83 12.958 20.749 -0.737 1.00 63.32 H new ATOM 0 HH12 ARG A 83 11.877 22.112 -0.425 1.00 63.32 H new ATOM 0 HH21 ARG A 83 10.667 20.810 2.619 1.00 63.15 H new ATOM 0 HH22 ARG A 83 10.585 22.147 1.466 1.00 63.15 H new ATOM 1274 N VAL A 84 12.523 13.402 0.816 1.00 13.43 N ATOM 1275 CA VAL A 84 11.675 12.308 0.359 1.00 51.15 C ATOM 1276 C VAL A 84 10.199 12.641 0.545 1.00 50.51 C ATOM 1277 O VAL A 84 9.800 13.187 1.574 1.00 44.44 O ATOM 1278 CB VAL A 84 11.993 11.000 1.107 1.00 1.45 C ATOM 1279 CG1 VAL A 84 13.440 10.591 0.877 1.00 11.41 C ATOM 1280 CG2 VAL A 84 11.704 11.154 2.593 1.00 31.11 C ATOM 0 H VAL A 84 12.247 13.803 1.713 1.00 13.43 H new ATOM 0 HA VAL A 84 11.882 12.170 -0.702 1.00 51.15 H new ATOM 0 HB VAL A 84 11.351 10.211 0.714 1.00 1.45 H new ATOM 0 HG11 VAL A 84 13.646 9.665 1.413 1.00 11.41 H new ATOM 0 HG12 VAL A 84 13.610 10.439 -0.189 1.00 11.41 H new ATOM 0 HG13 VAL A 84 14.102 11.376 1.241 1.00 11.41 H new ATOM 0 HG21 VAL A 84 11.934 10.221 3.107 1.00 31.11 H new ATOM 0 HG22 VAL A 84 12.320 11.955 3.002 1.00 31.11 H new ATOM 0 HG23 VAL A 84 10.651 11.397 2.736 1.00 31.11 H new ATOM 1290 N SER A 85 9.392 12.309 -0.457 1.00 73.23 N ATOM 1291 CA SER A 85 7.959 12.576 -0.406 1.00 20.33 C ATOM 1292 C SER A 85 7.208 11.708 -1.412 1.00 3.54 C ATOM 1293 O SER A 85 7.815 11.046 -2.253 1.00 62.04 O ATOM 1294 CB SER A 85 7.684 14.055 -0.685 1.00 20.42 C ATOM 1295 OG SER A 85 8.565 14.885 0.052 1.00 33.00 O ATOM 0 H SER A 85 9.706 11.854 -1.314 1.00 73.23 H new ATOM 0 HA SER A 85 7.604 12.331 0.595 1.00 20.33 H new ATOM 0 HB2 SER A 85 7.797 14.255 -1.751 1.00 20.42 H new ATOM 0 HB3 SER A 85 6.653 14.292 -0.424 1.00 20.42 H new ATOM 0 HG SER A 85 8.370 15.825 -0.145 1.00 33.00 H new ATOM 1301 N LYS A 86 5.883 11.718 -1.318 1.00 71.40 N ATOM 1302 CA LYS A 86 5.046 10.934 -2.219 1.00 43.01 C ATOM 1303 C LYS A 86 4.519 11.797 -3.361 1.00 11.43 C ATOM 1304 O LYS A 86 3.895 12.833 -3.131 1.00 33.33 O ATOM 1305 CB LYS A 86 3.876 10.314 -1.452 1.00 23.10 C ATOM 1306 CG LYS A 86 3.500 8.924 -1.936 1.00 10.21 C ATOM 1307 CD LYS A 86 2.744 8.148 -0.870 1.00 43.23 C ATOM 1308 CE LYS A 86 1.239 8.283 -1.044 1.00 43.24 C ATOM 1309 NZ LYS A 86 0.491 7.575 0.031 1.00 72.14 N ATOM 0 H LYS A 86 5.365 12.261 -0.627 1.00 71.40 H new ATOM 0 HA LYS A 86 5.658 10.137 -2.642 1.00 43.01 H new ATOM 0 HB2 LYS A 86 4.132 10.264 -0.394 1.00 23.10 H new ATOM 0 HB3 LYS A 86 3.008 10.967 -1.540 1.00 23.10 H new ATOM 0 HG2 LYS A 86 2.886 9.004 -2.833 1.00 10.21 H new ATOM 0 HG3 LYS A 86 4.402 8.378 -2.214 1.00 10.21 H new ATOM 0 HD2 LYS A 86 3.024 7.096 -0.917 1.00 43.23 H new ATOM 0 HD3 LYS A 86 3.031 8.510 0.117 1.00 43.23 H new ATOM 0 HE2 LYS A 86 0.966 9.338 -1.042 1.00 43.24 H new ATOM 0 HE3 LYS A 86 0.948 7.881 -2.014 1.00 43.24 H new ATOM 0 HZ1 LYS A 86 -0.531 7.691 -0.123 1.00 72.14 H new ATOM 0 HZ2 LYS A 86 0.732 6.563 0.013 1.00 72.14 H new ATOM 0 HZ3 LYS A 86 0.749 7.976 0.955 1.00 72.14 H new ATOM 1323 N MET A 87 4.773 11.363 -4.591 1.00 11.41 N ATOM 1324 CA MET A 87 4.321 12.096 -5.768 1.00 13.22 C ATOM 1325 C MET A 87 3.220 11.331 -6.495 1.00 33.20 C ATOM 1326 O MET A 87 3.115 11.391 -7.719 1.00 52.45 O ATOM 1327 CB MET A 87 5.493 12.352 -6.717 1.00 72.23 C ATOM 1328 CG MET A 87 5.198 13.399 -7.779 1.00 75.42 C ATOM 1329 SD MET A 87 5.791 15.039 -7.322 1.00 35.35 S ATOM 1330 CE MET A 87 4.251 15.850 -6.899 1.00 35.10 C ATOM 0 H MET A 87 5.289 10.508 -4.799 1.00 11.41 H new ATOM 0 HA MET A 87 3.916 13.052 -5.437 1.00 13.22 H new ATOM 0 HB2 MET A 87 6.358 12.670 -6.135 1.00 72.23 H new ATOM 0 HB3 MET A 87 5.765 11.417 -7.206 1.00 72.23 H new ATOM 0 HG2 MET A 87 5.661 13.098 -8.719 1.00 75.42 H new ATOM 0 HG3 MET A 87 4.123 13.441 -7.953 1.00 75.42 H new ATOM 0 HE1 MET A 87 4.452 16.877 -6.595 1.00 35.10 H new ATOM 0 HE2 MET A 87 3.590 15.851 -7.766 1.00 35.10 H new ATOM 0 HE3 MET A 87 3.772 15.316 -6.079 1.00 35.10 H new ATOM 1340 N GLU A 88 2.402 10.611 -5.732 1.00 42.44 N ATOM 1341 CA GLU A 88 1.310 9.834 -6.306 1.00 63.31 C ATOM 1342 C GLU A 88 0.007 10.628 -6.286 1.00 24.11 C ATOM 1343 O GLU A 88 -1.083 10.056 -6.317 1.00 1.24 O ATOM 1344 CB GLU A 88 1.132 8.521 -5.540 1.00 42.12 C ATOM 1345 CG GLU A 88 0.382 7.457 -6.323 1.00 34.32 C ATOM 1346 CD GLU A 88 -0.382 6.503 -5.425 1.00 71.53 C ATOM 1347 OE1 GLU A 88 -1.392 6.931 -4.828 1.00 60.11 O ATOM 1348 OE2 GLU A 88 0.030 5.328 -5.320 1.00 15.51 O ATOM 0 H GLU A 88 2.475 10.550 -4.716 1.00 42.44 H new ATOM 0 HA GLU A 88 1.563 9.611 -7.343 1.00 63.31 H new ATOM 0 HB2 GLU A 88 2.113 8.134 -5.266 1.00 42.12 H new ATOM 0 HB3 GLU A 88 0.597 8.721 -4.611 1.00 42.12 H new ATOM 0 HG2 GLU A 88 -0.313 7.939 -7.010 1.00 34.32 H new ATOM 0 HG3 GLU A 88 1.089 6.891 -6.930 1.00 34.32 H new ATOM 1355 N THR A 89 0.128 11.951 -6.233 1.00 63.14 N ATOM 1356 CA THR A 89 -1.038 12.824 -6.207 1.00 41.51 C ATOM 1357 C THR A 89 -1.570 13.074 -7.614 1.00 20.33 C ATOM 1358 O THR A 89 -0.821 13.453 -8.515 1.00 22.14 O ATOM 1359 CB THR A 89 -0.712 14.177 -5.547 1.00 3.32 C ATOM 1360 OG1 THR A 89 0.371 14.023 -4.622 1.00 73.21 O ATOM 1361 CG2 THR A 89 -1.929 14.733 -4.823 1.00 5.43 C ATOM 0 H THR A 89 1.022 12.441 -6.207 1.00 63.14 H new ATOM 0 HA THR A 89 -1.801 12.314 -5.618 1.00 41.51 H new ATOM 0 HB THR A 89 -0.423 14.878 -6.330 1.00 3.32 H new ATOM 0 HG1 THR A 89 0.573 14.888 -4.208 1.00 73.21 H new ATOM 0 HG21 THR A 89 -1.675 15.689 -4.365 1.00 5.43 H new ATOM 0 HG22 THR A 89 -2.742 14.877 -5.535 1.00 5.43 H new ATOM 0 HG23 THR A 89 -2.244 14.032 -4.050 1.00 5.43 H new ATOM 1369 N THR A 90 -2.869 12.859 -7.797 1.00 12.01 N ATOM 1370 CA THR A 90 -3.502 13.060 -9.094 1.00 64.04 C ATOM 1371 C THR A 90 -3.716 14.542 -9.378 1.00 0.41 C ATOM 1372 O THR A 90 -4.097 15.305 -8.491 1.00 24.24 O ATOM 1373 CB THR A 90 -4.856 12.332 -9.178 1.00 35.12 C ATOM 1374 OG1 THR A 90 -5.204 11.795 -7.896 1.00 41.25 O ATOM 1375 CG2 THR A 90 -4.806 11.212 -10.206 1.00 34.32 C ATOM 0 H THR A 90 -3.503 12.545 -7.062 1.00 12.01 H new ATOM 0 HA THR A 90 -2.827 12.643 -9.842 1.00 64.04 H new ATOM 0 HB THR A 90 -5.613 13.053 -9.487 1.00 35.12 H new ATOM 0 HG1 THR A 90 -6.067 11.335 -7.957 1.00 41.25 H new ATOM 0 HG21 THR A 90 -5.774 10.712 -10.247 1.00 34.32 H new ATOM 0 HG22 THR A 90 -4.570 11.628 -11.186 1.00 34.32 H new ATOM 0 HG23 THR A 90 -4.038 10.492 -9.923 1.00 34.32 H new ATOM 1383 N ASN A 91 -3.470 14.944 -10.621 1.00 4.14 N ATOM 1384 CA ASN A 91 -3.636 16.337 -11.021 1.00 32.41 C ATOM 1385 C ASN A 91 -4.664 16.461 -12.141 1.00 55.40 C ATOM 1386 O ASN A 91 -5.774 16.950 -11.927 1.00 23.43 O ATOM 1387 CB ASN A 91 -2.297 16.922 -11.475 1.00 15.12 C ATOM 1388 CG ASN A 91 -1.837 18.065 -10.591 1.00 23.24 C ATOM 1389 OD1 ASN A 91 -2.208 18.147 -9.420 1.00 13.21 O ATOM 1390 ND2 ASN A 91 -1.023 18.953 -11.149 1.00 1.42 N ATOM 0 H ASN A 91 -3.155 14.325 -11.368 1.00 4.14 H new ATOM 0 HA ASN A 91 -3.995 16.897 -10.158 1.00 32.41 H new ATOM 0 HB2 ASN A 91 -1.541 16.137 -11.472 1.00 15.12 H new ATOM 0 HB3 ASN A 91 -2.387 17.274 -12.503 1.00 15.12 H new ATOM 0 HD21 ASN A 91 -0.679 19.743 -10.603 1.00 1.42 H new ATOM 0 HD22 ASN A 91 -0.742 18.845 -12.123 1.00 1.42 H new TER 1397 ASN A 91