USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 783 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 131 HIS :FLIP no HD1:sc= 0.00817 F(o=-0.49,f=0.016) USER MOD Set 1.2: A 133 HIS : no HD1:sc= 0.0077 X(o=0.016,f=-0.41) USER MOD Set 2.1: A 66 SER OG : rot -72:sc= 1.25 USER MOD Set 2.2: A 96 TYR OH : rot 9:sc= 0.406 USER MOD Set 3.1: A 62 TYR OH : rot 165:sc= 0.103 USER MOD Set 3.2: A 86 ASN : amide:sc= 0.251 K(o=0.35,f=-6.1!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 63:sc= 0.516 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc=-0.00567 K(o=-0.0057,f=-1.8) USER MOD Single : A 40 THR OG1 : rot -65:sc= 0.0699 USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= -0.0319 (180deg=-0.229) USER MOD Single : A 45 TYR OH : rot 163:sc= 1.2 USER MOD Single : A 56 SER OG : rot 101:sc= -0.343 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -16:sc= 0.0554! USER MOD Single : A 63 HIS : no HD1:sc= -0.395 X(o=-0.4,f=-0.11) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 0.386 (180deg=0.383) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= 0.0556 K(o=0.056,f=-0.72) USER MOD Single : A 82 ASN : amide:sc= 0.563 K(o=0.56,f=-6.5!) USER MOD Single : A 84 THR OG1 : rot 37:sc= 0.112 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 61:sc= 0.643 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -139:sc= -0.17 (180deg=-0.759) USER MOD Single : A 122 ASN : amide:sc= -0.675 K(o=-0.68,f=-2!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.377 X(o=-0.38,f=0.096) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 -16.576 11.761 -13.104 1.00 31.30 N ATOM 2 CA MET A 34 -17.957 12.289 -12.924 1.00 52.43 C ATOM 3 C MET A 34 -19.003 11.168 -13.062 1.00 11.22 C ATOM 4 O MET A 34 -18.835 10.251 -13.868 1.00 52.12 O ATOM 5 CB MET A 34 -18.236 13.396 -13.953 1.00 50.40 C ATOM 6 CG MET A 34 -19.607 14.046 -13.810 1.00 24.23 C ATOM 7 SD MET A 34 -19.893 15.327 -15.049 1.00 12.34 S ATOM 8 CE MET A 34 -21.569 15.822 -14.642 1.00 64.23 C ATOM 0 HA MET A 34 -18.033 12.703 -11.919 1.00 52.43 H new ATOM 0 HB2 MET A 34 -17.469 14.165 -13.860 1.00 50.40 H new ATOM 0 HB3 MET A 34 -18.147 12.977 -14.955 1.00 50.40 H new ATOM 0 HG2 MET A 34 -20.379 13.282 -13.896 1.00 24.23 H new ATOM 0 HG3 MET A 34 -19.698 14.480 -12.814 1.00 24.23 H new ATOM 0 HE1 MET A 34 -21.891 16.611 -15.322 1.00 64.23 H new ATOM 0 HE2 MET A 34 -22.235 14.965 -14.739 1.00 64.23 H new ATOM 0 HE3 MET A 34 -21.600 16.192 -13.617 1.00 64.23 H new ATOM 20 N ASP A 35 -20.064 11.238 -12.246 1.00 53.34 N ATOM 21 CA ASP A 35 -21.212 10.318 -12.340 1.00 33.21 C ATOM 22 C ASP A 35 -20.813 8.842 -12.095 1.00 42.51 C ATOM 23 O ASP A 35 -21.587 7.921 -12.363 1.00 24.23 O ATOM 24 CB ASP A 35 -21.886 10.485 -13.713 1.00 70.54 C ATOM 25 CG ASP A 35 -23.237 9.797 -13.801 1.00 72.23 C ATOM 26 OD1 ASP A 35 -24.191 10.263 -13.149 1.00 2.22 O ATOM 27 OD2 ASP A 35 -23.359 8.796 -14.536 1.00 15.41 O ATOM 0 H ASP A 35 -20.153 11.931 -11.503 1.00 53.34 H new ATOM 0 HA ASP A 35 -21.917 10.578 -11.550 1.00 33.21 H new ATOM 0 HB2 ASP A 35 -22.012 11.547 -13.923 1.00 70.54 H new ATOM 0 HB3 ASP A 35 -21.229 10.083 -14.485 1.00 70.54 H new ATOM 32 N THR A 36 -19.621 8.623 -11.545 1.00 31.04 N ATOM 33 CA THR A 36 -19.102 7.261 -11.342 1.00 12.44 C ATOM 34 C THR A 36 -18.885 6.955 -9.853 1.00 12.31 C ATOM 35 O THR A 36 -18.503 7.834 -9.079 1.00 43.23 O ATOM 36 CB THR A 36 -17.763 7.055 -12.091 1.00 3.35 C ATOM 37 OG1 THR A 36 -17.889 7.477 -13.459 1.00 61.25 O ATOM 38 CG2 THR A 36 -17.327 5.596 -12.057 1.00 14.03 C ATOM 0 H THR A 36 -18.994 9.364 -11.231 1.00 31.04 H new ATOM 0 HA THR A 36 -19.853 6.580 -11.742 1.00 12.44 H new ATOM 0 HB THR A 36 -17.008 7.657 -11.586 1.00 3.35 H new ATOM 0 HG1 THR A 36 -18.084 8.437 -13.489 1.00 61.25 H new ATOM 0 HG21 THR A 36 -16.384 5.486 -12.592 1.00 14.03 H new ATOM 0 HG22 THR A 36 -17.197 5.279 -11.022 1.00 14.03 H new ATOM 0 HG23 THR A 36 -18.088 4.978 -12.533 1.00 14.03 H new ATOM 46 N ASN A 37 -19.129 5.706 -9.460 1.00 11.05 N ATOM 47 CA ASN A 37 -18.928 5.272 -8.075 1.00 71.50 C ATOM 48 C ASN A 37 -17.673 4.394 -7.946 1.00 4.35 C ATOM 49 O ASN A 37 -16.704 4.786 -7.297 1.00 72.21 O ATOM 50 CB ASN A 37 -20.170 4.522 -7.583 1.00 10.34 C ATOM 51 CG ASN A 37 -21.436 5.346 -7.754 1.00 21.41 C ATOM 52 OD1 ASN A 37 -22.103 5.275 -8.784 1.00 62.54 O ATOM 53 ND2 ASN A 37 -21.769 6.149 -6.766 1.00 2.54 N ATOM 0 H ASN A 37 -19.468 4.973 -10.083 1.00 11.05 H new ATOM 0 HA ASN A 37 -18.777 6.154 -7.452 1.00 71.50 H new ATOM 0 HB2 ASN A 37 -20.270 3.586 -8.132 1.00 10.34 H new ATOM 0 HB3 ASN A 37 -20.045 4.263 -6.532 1.00 10.34 H new ATOM 0 HD21 ASN A 37 -22.601 6.734 -6.843 1.00 2.54 H new ATOM 0 HD22 ASN A 37 -21.195 6.186 -5.923 1.00 2.54 H new ATOM 60 N ASN A 38 -17.695 3.221 -8.589 1.00 13.12 N ATOM 61 CA ASN A 38 -16.569 2.268 -8.555 1.00 12.21 C ATOM 62 C ASN A 38 -15.996 2.063 -7.146 1.00 65.03 C ATOM 63 O ASN A 38 -14.977 2.656 -6.783 1.00 63.50 O ATOM 64 CB ASN A 38 -15.450 2.698 -9.512 1.00 62.45 C ATOM 65 CG ASN A 38 -15.815 2.479 -10.965 1.00 2.34 C ATOM 66 OD1 ASN A 38 -16.975 2.558 -11.349 1.00 60.54 O ATOM 67 ND2 ASN A 38 -14.828 2.190 -11.785 1.00 64.44 N ATOM 0 H ASN A 38 -18.488 2.902 -9.146 1.00 13.12 H new ATOM 0 HA ASN A 38 -16.979 1.312 -8.882 1.00 12.21 H new ATOM 0 HB2 ASN A 38 -15.225 3.752 -9.352 1.00 62.45 H new ATOM 0 HB3 ASN A 38 -14.543 2.139 -9.280 1.00 62.45 H new ATOM 0 HD21 ASN A 38 -15.018 2.024 -12.773 1.00 64.44 H new ATOM 0 HD22 ASN A 38 -13.873 2.132 -11.433 1.00 64.44 H new ATOM 74 N PHE A 39 -16.667 1.240 -6.354 1.00 33.41 N ATOM 75 CA PHE A 39 -16.153 0.837 -5.043 1.00 42.30 C ATOM 76 C PHE A 39 -14.819 0.087 -5.190 1.00 42.04 C ATOM 77 O PHE A 39 -14.793 -1.116 -5.455 1.00 43.13 O ATOM 78 CB PHE A 39 -17.187 -0.034 -4.315 1.00 43.34 C ATOM 79 CG PHE A 39 -18.415 0.727 -3.876 1.00 54.42 C ATOM 80 CD1 PHE A 39 -19.351 1.158 -4.807 1.00 42.32 C ATOM 81 CD2 PHE A 39 -18.628 1.018 -2.535 1.00 10.14 C ATOM 82 CE1 PHE A 39 -20.470 1.860 -4.411 1.00 22.25 C ATOM 83 CE2 PHE A 39 -19.749 1.719 -2.135 1.00 31.44 C ATOM 84 CZ PHE A 39 -20.670 2.141 -3.074 1.00 5.13 C ATOM 0 H PHE A 39 -17.572 0.834 -6.593 1.00 33.41 H new ATOM 0 HA PHE A 39 -15.973 1.733 -4.449 1.00 42.30 H new ATOM 0 HB2 PHE A 39 -17.490 -0.849 -4.972 1.00 43.34 H new ATOM 0 HB3 PHE A 39 -16.718 -0.486 -3.441 1.00 43.34 H new ATOM 0 HD1 PHE A 39 -19.201 0.941 -5.854 1.00 42.32 H new ATOM 0 HD2 PHE A 39 -17.910 0.693 -1.797 1.00 10.14 H new ATOM 0 HE1 PHE A 39 -21.189 2.190 -5.146 1.00 22.25 H new ATOM 0 HE2 PHE A 39 -19.905 1.937 -1.089 1.00 31.44 H new ATOM 0 HZ PHE A 39 -21.546 2.690 -2.763 1.00 5.13 H new ATOM 94 N THR A 40 -13.712 0.817 -5.050 1.00 10.31 N ATOM 95 CA THR A 40 -12.369 0.251 -5.253 1.00 41.23 C ATOM 96 C THR A 40 -11.391 0.677 -4.152 1.00 53.41 C ATOM 97 O THR A 40 -11.649 1.619 -3.398 1.00 3.34 O ATOM 98 CB THR A 40 -11.769 0.676 -6.619 1.00 51.25 C ATOM 99 OG1 THR A 40 -11.798 2.106 -6.750 1.00 52.34 O ATOM 100 CG2 THR A 40 -12.518 0.045 -7.789 1.00 24.14 C ATOM 0 H THR A 40 -13.714 1.805 -4.796 1.00 10.31 H new ATOM 0 HA THR A 40 -12.498 -0.831 -5.225 1.00 41.23 H new ATOM 0 HB THR A 40 -10.738 0.322 -6.645 1.00 51.25 H new ATOM 0 HG1 THR A 40 -12.728 2.413 -6.775 1.00 52.34 H new ATOM 0 HG21 THR A 40 -12.066 0.368 -8.727 1.00 24.14 H new ATOM 0 HG22 THR A 40 -12.461 -1.041 -7.714 1.00 24.14 H new ATOM 0 HG23 THR A 40 -13.562 0.356 -7.763 1.00 24.14 H new ATOM 108 N VAL A 41 -10.262 -0.025 -4.071 1.00 53.12 N ATOM 109 CA VAL A 41 -9.217 0.292 -3.091 1.00 3.23 C ATOM 110 C VAL A 41 -7.850 0.479 -3.769 1.00 64.34 C ATOM 111 O VAL A 41 -7.209 -0.488 -4.175 1.00 74.32 O ATOM 112 CB VAL A 41 -9.104 -0.814 -2.014 1.00 55.13 C ATOM 113 CG1 VAL A 41 -8.023 -0.472 -0.989 1.00 33.11 C ATOM 114 CG2 VAL A 41 -10.452 -1.029 -1.332 1.00 10.23 C ATOM 0 H VAL A 41 -10.044 -0.820 -4.673 1.00 53.12 H new ATOM 0 HA VAL A 41 -9.506 1.228 -2.613 1.00 3.23 H new ATOM 0 HB VAL A 41 -8.814 -1.743 -2.505 1.00 55.13 H new ATOM 0 HG11 VAL A 41 -7.964 -1.265 -0.244 1.00 33.11 H new ATOM 0 HG12 VAL A 41 -7.061 -0.376 -1.493 1.00 33.11 H new ATOM 0 HG13 VAL A 41 -8.271 0.469 -0.498 1.00 33.11 H new ATOM 0 HG21 VAL A 41 -10.357 -1.810 -0.577 1.00 10.23 H new ATOM 0 HG22 VAL A 41 -10.771 -0.101 -0.857 1.00 10.23 H new ATOM 0 HG23 VAL A 41 -11.191 -1.330 -2.074 1.00 10.23 H new ATOM 124 N LYS A 42 -7.409 1.726 -3.885 1.00 0.01 N ATOM 125 CA LYS A 42 -6.134 2.037 -4.539 1.00 33.21 C ATOM 126 C LYS A 42 -4.967 1.929 -3.545 1.00 71.43 C ATOM 127 O LYS A 42 -4.947 2.599 -2.514 1.00 2.24 O ATOM 128 CB LYS A 42 -6.194 3.442 -5.165 1.00 70.13 C ATOM 129 CG LYS A 42 -5.008 3.776 -6.075 1.00 71.14 C ATOM 130 CD LYS A 42 -4.035 4.761 -5.434 1.00 34.13 C ATOM 131 CE LYS A 42 -2.843 5.040 -6.342 1.00 40.04 C ATOM 132 NZ LYS A 42 -3.253 5.536 -7.683 1.00 73.24 N ATOM 0 H LYS A 42 -7.912 2.542 -3.536 1.00 0.01 H new ATOM 0 HA LYS A 42 -5.962 1.309 -5.332 1.00 33.21 H new ATOM 0 HB2 LYS A 42 -7.115 3.532 -5.740 1.00 70.13 H new ATOM 0 HB3 LYS A 42 -6.244 4.182 -4.366 1.00 70.13 H new ATOM 0 HG2 LYS A 42 -4.477 2.858 -6.325 1.00 71.14 H new ATOM 0 HG3 LYS A 42 -5.379 4.195 -7.010 1.00 71.14 H new ATOM 0 HD2 LYS A 42 -4.553 5.695 -5.214 1.00 34.13 H new ATOM 0 HD3 LYS A 42 -3.684 4.360 -4.483 1.00 34.13 H new ATOM 0 HE2 LYS A 42 -2.194 5.777 -5.868 1.00 40.04 H new ATOM 0 HE3 LYS A 42 -2.258 4.128 -6.459 1.00 40.04 H new ATOM 0 HZ1 LYS A 42 -2.417 5.886 -8.194 1.00 73.24 H new ATOM 0 HZ2 LYS A 42 -3.689 4.761 -8.222 1.00 73.24 H new ATOM 0 HZ3 LYS A 42 -3.940 6.309 -7.572 1.00 73.24 H new ATOM 146 N VAL A 43 -4.000 1.073 -3.860 1.00 54.54 N ATOM 147 CA VAL A 43 -2.864 0.816 -2.968 1.00 13.24 C ATOM 148 C VAL A 43 -1.586 1.510 -3.463 1.00 51.22 C ATOM 149 O VAL A 43 -1.096 1.220 -4.554 1.00 22.43 O ATOM 150 CB VAL A 43 -2.596 -0.705 -2.831 1.00 4.11 C ATOM 151 CG1 VAL A 43 -1.499 -0.978 -1.802 1.00 25.22 C ATOM 152 CG2 VAL A 43 -3.882 -1.447 -2.466 1.00 52.41 C ATOM 0 H VAL A 43 -3.977 0.541 -4.730 1.00 54.54 H new ATOM 0 HA VAL A 43 -3.131 1.226 -1.994 1.00 13.24 H new ATOM 0 HB VAL A 43 -2.249 -1.076 -3.795 1.00 4.11 H new ATOM 0 HG11 VAL A 43 -1.331 -2.052 -1.726 1.00 25.22 H new ATOM 0 HG12 VAL A 43 -0.577 -0.488 -2.114 1.00 25.22 H new ATOM 0 HG13 VAL A 43 -1.806 -0.589 -0.831 1.00 25.22 H new ATOM 0 HG21 VAL A 43 -3.674 -2.513 -2.374 1.00 52.41 H new ATOM 0 HG22 VAL A 43 -4.263 -1.069 -1.517 1.00 52.41 H new ATOM 0 HG23 VAL A 43 -4.627 -1.289 -3.246 1.00 52.41 H new ATOM 162 N GLU A 44 -1.045 2.415 -2.644 1.00 2.41 N ATOM 163 CA GLU A 44 0.195 3.128 -2.970 1.00 70.43 C ATOM 164 C GLU A 44 1.380 2.572 -2.169 1.00 44.01 C ATOM 165 O GLU A 44 1.229 2.121 -1.030 1.00 22.22 O ATOM 166 CB GLU A 44 0.060 4.623 -2.653 1.00 60.50 C ATOM 167 CG GLU A 44 -1.021 5.350 -3.438 1.00 61.32 C ATOM 168 CD GLU A 44 -1.157 6.806 -3.010 1.00 23.43 C ATOM 169 OE1 GLU A 44 -0.348 7.649 -3.453 1.00 72.23 O ATOM 170 OE2 GLU A 44 -2.056 7.112 -2.208 1.00 53.43 O ATOM 0 H GLU A 44 -1.449 2.673 -1.744 1.00 2.41 H new ATOM 0 HA GLU A 44 0.375 2.987 -4.036 1.00 70.43 H new ATOM 0 HB2 GLU A 44 -0.146 4.736 -1.589 1.00 60.50 H new ATOM 0 HB3 GLU A 44 1.017 5.108 -2.846 1.00 60.50 H new ATOM 0 HG2 GLU A 44 -0.788 5.305 -4.502 1.00 61.32 H new ATOM 0 HG3 GLU A 44 -1.975 4.841 -3.299 1.00 61.32 H new ATOM 177 N TYR A 45 2.561 2.621 -2.771 1.00 74.14 N ATOM 178 CA TYR A 45 3.791 2.177 -2.112 1.00 14.04 C ATOM 179 C TYR A 45 4.818 3.314 -2.077 1.00 12.14 C ATOM 180 O TYR A 45 5.519 3.565 -3.058 1.00 53.13 O ATOM 181 CB TYR A 45 4.364 0.951 -2.833 1.00 73.33 C ATOM 182 CG TYR A 45 3.421 -0.238 -2.825 1.00 61.25 C ATOM 183 CD1 TYR A 45 2.401 -0.351 -3.762 1.00 54.25 C ATOM 184 CD2 TYR A 45 3.546 -1.241 -1.870 1.00 62.22 C ATOM 185 CE1 TYR A 45 1.536 -1.430 -3.751 1.00 4.33 C ATOM 186 CE2 TYR A 45 2.688 -2.322 -1.853 1.00 5.41 C ATOM 187 CZ TYR A 45 1.683 -2.414 -2.793 1.00 54.34 C ATOM 188 OH TYR A 45 0.830 -3.496 -2.782 1.00 55.34 O ATOM 0 H TYR A 45 2.698 2.966 -3.721 1.00 74.14 H new ATOM 0 HA TYR A 45 3.558 1.896 -1.085 1.00 14.04 H new ATOM 0 HB2 TYR A 45 4.594 1.218 -3.864 1.00 73.33 H new ATOM 0 HB3 TYR A 45 5.304 0.665 -2.361 1.00 73.33 H new ATOM 0 HD1 TYR A 45 2.282 0.417 -4.512 1.00 54.25 H new ATOM 0 HD2 TYR A 45 4.328 -1.173 -1.128 1.00 62.22 H new ATOM 0 HE1 TYR A 45 0.750 -1.503 -4.488 1.00 4.33 H new ATOM 0 HE2 TYR A 45 2.803 -3.093 -1.106 1.00 5.41 H new ATOM 0 HH TYR A 45 1.222 -4.216 -2.244 1.00 55.34 H new ATOM 198 N VAL A 46 4.905 3.995 -0.935 1.00 14.53 N ATOM 199 CA VAL A 46 5.719 5.211 -0.808 1.00 11.54 C ATOM 200 C VAL A 46 6.820 5.047 0.254 1.00 30.21 C ATOM 201 O VAL A 46 6.718 4.202 1.143 1.00 71.41 O ATOM 202 CB VAL A 46 4.832 6.437 -0.453 1.00 2.32 C ATOM 203 CG1 VAL A 46 3.777 6.691 -1.535 1.00 60.12 C ATOM 204 CG2 VAL A 46 4.167 6.248 0.906 1.00 11.50 C ATOM 0 H VAL A 46 4.420 3.726 -0.079 1.00 14.53 H new ATOM 0 HA VAL A 46 6.194 5.380 -1.774 1.00 11.54 H new ATOM 0 HB VAL A 46 5.481 7.312 -0.402 1.00 2.32 H new ATOM 0 HG11 VAL A 46 3.172 7.555 -1.258 1.00 60.12 H new ATOM 0 HG12 VAL A 46 4.271 6.884 -2.487 1.00 60.12 H new ATOM 0 HG13 VAL A 46 3.136 5.815 -1.631 1.00 60.12 H new ATOM 0 HG21 VAL A 46 3.551 7.118 1.134 1.00 11.50 H new ATOM 0 HG22 VAL A 46 3.541 5.356 0.884 1.00 11.50 H new ATOM 0 HG23 VAL A 46 4.933 6.135 1.673 1.00 11.50 H new ATOM 214 N ASP A 47 7.881 5.847 0.156 1.00 64.31 N ATOM 215 CA ASP A 47 9.005 5.734 1.089 1.00 34.13 C ATOM 216 C ASP A 47 8.862 6.717 2.271 1.00 51.31 C ATOM 217 O ASP A 47 7.854 7.417 2.398 1.00 65.14 O ATOM 218 CB ASP A 47 10.329 5.968 0.347 1.00 10.33 C ATOM 219 CG ASP A 47 10.644 7.437 0.143 1.00 61.54 C ATOM 220 OD1 ASP A 47 9.849 8.142 -0.507 1.00 64.33 O ATOM 221 OD2 ASP A 47 11.683 7.895 0.664 1.00 54.00 O ATOM 0 H ASP A 47 7.987 6.574 -0.552 1.00 64.31 H new ATOM 0 HA ASP A 47 9.002 4.725 1.502 1.00 34.13 H new ATOM 0 HB2 ASP A 47 11.140 5.503 0.907 1.00 10.33 H new ATOM 0 HB3 ASP A 47 10.287 5.473 -0.623 1.00 10.33 H new ATOM 226 N ALA A 48 9.880 6.769 3.130 1.00 44.33 N ATOM 227 CA ALA A 48 9.852 7.636 4.315 1.00 53.11 C ATOM 228 C ALA A 48 9.864 9.134 3.959 1.00 2.53 C ATOM 229 O ALA A 48 9.609 9.987 4.816 1.00 14.14 O ATOM 230 CB ALA A 48 11.014 7.294 5.243 1.00 33.53 C ATOM 0 H ALA A 48 10.735 6.222 3.030 1.00 44.33 H new ATOM 0 HA ALA A 48 8.910 7.447 4.829 1.00 53.11 H new ATOM 0 HB1 ALA A 48 10.984 7.943 6.118 1.00 33.53 H new ATOM 0 HB2 ALA A 48 10.933 6.254 5.559 1.00 33.53 H new ATOM 0 HB3 ALA A 48 11.956 7.441 4.715 1.00 33.53 H new ATOM 236 N ASP A 49 10.164 9.454 2.703 1.00 72.12 N ATOM 237 CA ASP A 49 10.117 10.838 2.229 1.00 52.31 C ATOM 238 C ASP A 49 8.692 11.198 1.777 1.00 32.14 C ATOM 239 O ASP A 49 8.318 12.373 1.707 1.00 74.52 O ATOM 240 CB ASP A 49 11.109 11.025 1.076 1.00 41.05 C ATOM 241 CG ASP A 49 11.431 12.484 0.822 1.00 0.30 C ATOM 242 OD1 ASP A 49 12.348 13.016 1.485 1.00 1.02 O ATOM 243 OD2 ASP A 49 10.762 13.111 -0.023 1.00 13.10 O ATOM 0 H ASP A 49 10.442 8.776 1.994 1.00 72.12 H new ATOM 0 HA ASP A 49 10.396 11.504 3.045 1.00 52.31 H new ATOM 0 HB2 ASP A 49 12.029 10.486 1.301 1.00 41.05 H new ATOM 0 HB3 ASP A 49 10.695 10.584 0.169 1.00 41.05 H new ATOM 248 N GLY A 50 7.900 10.167 1.481 1.00 42.03 N ATOM 249 CA GLY A 50 6.518 10.356 1.056 1.00 64.42 C ATOM 250 C GLY A 50 6.315 10.165 -0.443 1.00 1.55 C ATOM 251 O GLY A 50 5.224 10.416 -0.966 1.00 4.41 O ATOM 0 H GLY A 50 8.195 9.192 1.529 1.00 42.03 H new ATOM 0 HA2 GLY A 50 5.881 9.654 1.594 1.00 64.42 H new ATOM 0 HA3 GLY A 50 6.194 11.359 1.334 1.00 64.42 H new ATOM 255 N ALA A 51 7.356 9.706 -1.134 1.00 20.30 N ATOM 256 CA ALA A 51 7.291 9.505 -2.589 1.00 22.03 C ATOM 257 C ALA A 51 7.058 8.029 -2.933 1.00 53.30 C ATOM 258 O ALA A 51 7.732 7.146 -2.399 1.00 63.40 O ATOM 259 CB ALA A 51 8.571 10.011 -3.250 1.00 45.50 C ATOM 0 H ALA A 51 8.255 9.465 -0.716 1.00 20.30 H new ATOM 0 HA ALA A 51 6.446 10.077 -2.973 1.00 22.03 H new ATOM 0 HB1 ALA A 51 8.510 9.856 -4.327 1.00 45.50 H new ATOM 0 HB2 ALA A 51 8.692 11.074 -3.042 1.00 45.50 H new ATOM 0 HB3 ALA A 51 9.426 9.464 -2.853 1.00 45.50 H new ATOM 265 N GLU A 52 6.094 7.752 -3.810 1.00 31.12 N ATOM 266 CA GLU A 52 5.810 6.370 -4.200 1.00 25.34 C ATOM 267 C GLU A 52 6.958 5.782 -5.033 1.00 3.13 C ATOM 268 O GLU A 52 7.103 6.036 -6.228 1.00 23.00 O ATOM 269 CB GLU A 52 4.455 6.253 -4.923 1.00 72.53 C ATOM 270 CG GLU A 52 4.407 6.954 -6.259 1.00 23.14 C ATOM 271 CD GLU A 52 3.021 6.951 -6.894 1.00 34.23 C ATOM 272 OE1 GLU A 52 2.594 5.898 -7.413 1.00 41.30 O ATOM 273 OE2 GLU A 52 2.350 8.007 -6.882 1.00 2.32 O ATOM 0 H GLU A 52 5.504 8.453 -4.258 1.00 31.12 H new ATOM 0 HA GLU A 52 5.734 5.777 -3.289 1.00 25.34 H new ATOM 0 HB2 GLU A 52 4.224 5.198 -5.070 1.00 72.53 H new ATOM 0 HB3 GLU A 52 3.676 6.664 -4.281 1.00 72.53 H new ATOM 0 HG2 GLU A 52 4.738 7.985 -6.132 1.00 23.14 H new ATOM 0 HG3 GLU A 52 5.111 6.474 -6.939 1.00 23.14 H new ATOM 280 N ILE A 53 7.782 4.998 -4.363 1.00 12.43 N ATOM 281 CA ILE A 53 8.966 4.382 -4.963 1.00 34.15 C ATOM 282 C ILE A 53 8.611 3.182 -5.853 1.00 71.43 C ATOM 283 O ILE A 53 9.494 2.511 -6.392 1.00 71.22 O ATOM 284 CB ILE A 53 9.923 3.910 -3.849 1.00 0.23 C ATOM 285 CG1 ILE A 53 9.147 3.029 -2.851 1.00 43.32 C ATOM 286 CG2 ILE A 53 10.563 5.109 -3.151 1.00 60.35 C ATOM 287 CD1 ILE A 53 9.969 2.532 -1.686 1.00 5.14 C ATOM 0 H ILE A 53 7.653 4.765 -3.378 1.00 12.43 H new ATOM 0 HA ILE A 53 9.442 5.137 -5.589 1.00 34.15 H new ATOM 0 HB ILE A 53 10.727 3.318 -4.285 1.00 0.23 H new ATOM 0 HG12 ILE A 53 8.300 3.597 -2.466 1.00 43.32 H new ATOM 0 HG13 ILE A 53 8.739 2.170 -3.384 1.00 43.32 H new ATOM 0 HG21 ILE A 53 11.235 4.758 -2.368 1.00 60.35 H new ATOM 0 HG22 ILE A 53 11.127 5.695 -3.877 1.00 60.35 H new ATOM 0 HG23 ILE A 53 9.785 5.731 -2.709 1.00 60.35 H new ATOM 0 HD11 ILE A 53 9.344 1.921 -1.035 1.00 5.14 H new ATOM 0 HD12 ILE A 53 10.801 1.934 -2.057 1.00 5.14 H new ATOM 0 HD13 ILE A 53 10.356 3.382 -1.124 1.00 5.14 H new ATOM 299 N ALA A 54 7.320 2.921 -6.012 1.00 63.32 N ATOM 300 CA ALA A 54 6.862 1.743 -6.747 1.00 43.03 C ATOM 301 C ALA A 54 5.488 1.983 -7.386 1.00 2.51 C ATOM 302 O ALA A 54 4.716 2.814 -6.903 1.00 4.53 O ATOM 303 CB ALA A 54 6.815 0.539 -5.811 1.00 32.25 C ATOM 0 H ALA A 54 6.570 3.506 -5.644 1.00 63.32 H new ATOM 0 HA ALA A 54 7.568 1.544 -7.553 1.00 43.03 H new ATOM 0 HB1 ALA A 54 6.473 -0.337 -6.362 1.00 32.25 H new ATOM 0 HB2 ALA A 54 7.811 0.350 -5.411 1.00 32.25 H new ATOM 0 HB3 ALA A 54 6.127 0.743 -4.990 1.00 32.25 H new ATOM 309 N PRO A 55 5.169 1.279 -8.493 1.00 64.04 N ATOM 310 CA PRO A 55 3.841 1.373 -9.129 1.00 25.54 C ATOM 311 C PRO A 55 2.697 1.032 -8.157 1.00 52.42 C ATOM 312 O PRO A 55 2.793 0.083 -7.375 1.00 22.45 O ATOM 313 CB PRO A 55 3.912 0.339 -10.261 1.00 75.02 C ATOM 314 CG PRO A 55 5.368 0.190 -10.550 1.00 63.22 C ATOM 315 CD PRO A 55 6.067 0.363 -9.227 1.00 51.35 C ATOM 0 HA PRO A 55 3.627 2.385 -9.472 1.00 25.54 H new ATOM 0 HB2 PRO A 55 3.470 -0.610 -9.958 1.00 75.02 H new ATOM 0 HB3 PRO A 55 3.367 0.678 -11.142 1.00 75.02 H new ATOM 0 HG2 PRO A 55 5.583 -0.788 -10.981 1.00 63.22 H new ATOM 0 HG3 PRO A 55 5.703 0.937 -11.270 1.00 63.22 H new ATOM 0 HD2 PRO A 55 6.187 -0.587 -8.707 1.00 51.35 H new ATOM 0 HD3 PRO A 55 7.064 0.787 -9.350 1.00 51.35 H new ATOM 323 N SER A 56 1.617 1.801 -8.221 1.00 32.35 N ATOM 324 CA SER A 56 0.475 1.617 -7.311 1.00 71.13 C ATOM 325 C SER A 56 -0.632 0.763 -7.953 1.00 24.14 C ATOM 326 O SER A 56 -0.891 0.861 -9.154 1.00 70.14 O ATOM 327 CB SER A 56 -0.083 2.982 -6.892 1.00 52.00 C ATOM 328 OG SER A 56 0.877 3.726 -6.154 1.00 70.33 O ATOM 0 H SER A 56 1.501 2.561 -8.892 1.00 32.35 H new ATOM 0 HA SER A 56 0.831 1.084 -6.429 1.00 71.13 H new ATOM 0 HB2 SER A 56 -0.380 3.544 -7.778 1.00 52.00 H new ATOM 0 HB3 SER A 56 -0.980 2.841 -6.289 1.00 52.00 H new ATOM 0 HG SER A 56 1.296 4.391 -6.739 1.00 70.33 H new ATOM 334 N ASP A 57 -1.282 -0.071 -7.142 1.00 12.31 N ATOM 335 CA ASP A 57 -2.325 -0.987 -7.630 1.00 75.51 C ATOM 336 C ASP A 57 -3.741 -0.463 -7.347 1.00 34.11 C ATOM 337 O ASP A 57 -3.935 0.473 -6.568 1.00 71.30 O ATOM 338 CB ASP A 57 -2.159 -2.364 -6.977 1.00 31.32 C ATOM 339 CG ASP A 57 -0.899 -3.084 -7.431 1.00 4.25 C ATOM 340 OD1 ASP A 57 -0.940 -3.764 -8.478 1.00 61.51 O ATOM 341 OD2 ASP A 57 0.137 -2.979 -6.750 1.00 2.54 O ATOM 0 H ASP A 57 -1.107 -0.135 -6.139 1.00 12.31 H new ATOM 0 HA ASP A 57 -2.205 -1.062 -8.711 1.00 75.51 H new ATOM 0 HB2 ASP A 57 -2.134 -2.247 -5.894 1.00 31.32 H new ATOM 0 HB3 ASP A 57 -3.028 -2.979 -7.211 1.00 31.32 H new ATOM 346 N THR A 58 -4.728 -1.082 -7.990 1.00 42.33 N ATOM 347 CA THR A 58 -6.142 -0.770 -7.748 1.00 5.21 C ATOM 348 C THR A 58 -6.938 -2.057 -7.487 1.00 20.11 C ATOM 349 O THR A 58 -7.242 -2.809 -8.412 1.00 64.23 O ATOM 350 CB THR A 58 -6.772 -0.022 -8.948 1.00 74.21 C ATOM 351 OG1 THR A 58 -6.049 1.195 -9.215 1.00 53.03 O ATOM 352 CG2 THR A 58 -8.244 0.301 -8.690 1.00 42.40 C ATOM 0 H THR A 58 -4.577 -1.809 -8.689 1.00 42.33 H new ATOM 0 HA THR A 58 -6.185 -0.124 -6.871 1.00 5.21 H new ATOM 0 HB THR A 58 -6.710 -0.678 -9.816 1.00 74.21 H new ATOM 0 HG1 THR A 58 -6.457 1.657 -9.977 1.00 53.03 H new ATOM 0 HG21 THR A 58 -8.658 0.826 -9.551 1.00 42.40 H new ATOM 0 HG22 THR A 58 -8.797 -0.625 -8.530 1.00 42.40 H new ATOM 0 HG23 THR A 58 -8.328 0.932 -7.805 1.00 42.40 H new ATOM 360 N LEU A 59 -7.271 -2.306 -6.226 1.00 55.14 N ATOM 361 CA LEU A 59 -7.961 -3.540 -5.833 1.00 32.40 C ATOM 362 C LEU A 59 -9.462 -3.487 -6.154 1.00 62.22 C ATOM 363 O LEU A 59 -10.199 -2.659 -5.617 1.00 23.10 O ATOM 364 CB LEU A 59 -7.752 -3.816 -4.335 1.00 63.44 C ATOM 365 CG LEU A 59 -6.292 -4.046 -3.906 1.00 65.04 C ATOM 366 CD1 LEU A 59 -6.206 -4.341 -2.410 1.00 63.35 C ATOM 367 CD2 LEU A 59 -5.663 -5.178 -4.717 1.00 40.12 C ATOM 0 H LEU A 59 -7.076 -1.671 -5.452 1.00 55.14 H new ATOM 0 HA LEU A 59 -7.527 -4.353 -6.415 1.00 32.40 H new ATOM 0 HB2 LEU A 59 -8.152 -2.975 -3.768 1.00 63.44 H new ATOM 0 HB3 LEU A 59 -8.337 -4.693 -4.059 1.00 63.44 H new ATOM 0 HG LEU A 59 -5.732 -3.132 -4.104 1.00 65.04 H new ATOM 0 HD11 LEU A 59 -5.165 -4.500 -2.130 1.00 63.35 H new ATOM 0 HD12 LEU A 59 -6.608 -3.497 -1.849 1.00 63.35 H new ATOM 0 HD13 LEU A 59 -6.784 -5.237 -2.182 1.00 63.35 H new ATOM 0 HD21 LEU A 59 -4.631 -5.324 -4.398 1.00 40.12 H new ATOM 0 HD22 LEU A 59 -6.226 -6.097 -4.556 1.00 40.12 H new ATOM 0 HD23 LEU A 59 -5.682 -4.921 -5.776 1.00 40.12 H new ATOM 379 N THR A 60 -9.893 -4.373 -7.051 1.00 20.25 N ATOM 380 CA THR A 60 -11.318 -4.521 -7.393 1.00 13.23 C ATOM 381 C THR A 60 -12.020 -5.535 -6.474 1.00 22.35 C ATOM 382 O THR A 60 -13.248 -5.591 -6.413 1.00 4.12 O ATOM 383 CB THR A 60 -11.500 -4.968 -8.867 1.00 44.42 C ATOM 384 OG1 THR A 60 -12.883 -5.252 -9.143 1.00 0.53 O ATOM 385 CG2 THR A 60 -10.653 -6.198 -9.180 1.00 12.41 C ATOM 0 H THR A 60 -9.276 -5.006 -7.560 1.00 20.25 H new ATOM 0 HA THR A 60 -11.774 -3.541 -7.253 1.00 13.23 H new ATOM 0 HB THR A 60 -11.168 -4.147 -9.502 1.00 44.42 H new ATOM 0 HG1 THR A 60 -13.370 -5.359 -8.299 1.00 0.53 H new ATOM 0 HG21 THR A 60 -10.802 -6.487 -10.220 1.00 12.41 H new ATOM 0 HG22 THR A 60 -9.601 -5.967 -9.015 1.00 12.41 H new ATOM 0 HG23 THR A 60 -10.950 -7.020 -8.529 1.00 12.41 H new ATOM 393 N ASP A 61 -11.228 -6.335 -5.765 1.00 43.11 N ATOM 394 CA ASP A 61 -11.758 -7.358 -4.858 1.00 41.11 C ATOM 395 C ASP A 61 -12.466 -6.729 -3.647 1.00 30.45 C ATOM 396 O ASP A 61 -11.898 -5.874 -2.968 1.00 71.41 O ATOM 397 CB ASP A 61 -10.619 -8.260 -4.372 1.00 43.10 C ATOM 398 CG ASP A 61 -9.833 -8.865 -5.519 1.00 23.23 C ATOM 399 OD1 ASP A 61 -10.207 -9.957 -5.996 1.00 25.54 O ATOM 400 OD2 ASP A 61 -8.835 -8.250 -5.952 1.00 51.14 O ATOM 0 H ASP A 61 -10.209 -6.296 -5.800 1.00 43.11 H new ATOM 0 HA ASP A 61 -12.490 -7.947 -5.411 1.00 41.11 H new ATOM 0 HB2 ASP A 61 -9.946 -7.682 -3.739 1.00 43.10 H new ATOM 0 HB3 ASP A 61 -11.030 -9.059 -3.755 1.00 43.10 H new ATOM 405 N TYR A 62 -13.702 -7.162 -3.375 1.00 12.32 N ATOM 406 CA TYR A 62 -14.453 -6.682 -2.207 1.00 12.11 C ATOM 407 C TYR A 62 -13.633 -6.837 -0.918 1.00 62.11 C ATOM 408 O TYR A 62 -13.508 -5.904 -0.127 1.00 13.04 O ATOM 409 CB TYR A 62 -15.787 -7.425 -2.066 1.00 23.34 C ATOM 410 CG TYR A 62 -16.552 -7.044 -0.809 1.00 42.11 C ATOM 411 CD1 TYR A 62 -17.205 -5.818 -0.716 1.00 51.34 C ATOM 412 CD2 TYR A 62 -16.604 -7.900 0.290 1.00 53.24 C ATOM 413 CE1 TYR A 62 -17.886 -5.460 0.432 1.00 3.54 C ATOM 414 CE2 TYR A 62 -17.286 -7.544 1.437 1.00 41.53 C ATOM 415 CZ TYR A 62 -17.920 -6.326 1.503 1.00 31.14 C ATOM 416 OH TYR A 62 -18.593 -5.969 2.650 1.00 74.21 O ATOM 0 H TYR A 62 -14.204 -7.842 -3.946 1.00 12.32 H new ATOM 0 HA TYR A 62 -14.656 -5.623 -2.365 1.00 12.11 H new ATOM 0 HB2 TYR A 62 -16.406 -7.216 -2.938 1.00 23.34 H new ATOM 0 HB3 TYR A 62 -15.599 -8.499 -2.058 1.00 23.34 H new ATOM 0 HD1 TYR A 62 -17.179 -5.137 -1.553 1.00 51.34 H new ATOM 0 HD2 TYR A 62 -16.103 -8.856 0.244 1.00 53.24 H new ATOM 0 HE1 TYR A 62 -18.389 -4.506 0.489 1.00 3.54 H new ATOM 0 HE2 TYR A 62 -17.321 -8.220 2.279 1.00 41.53 H new ATOM 0 HH TYR A 62 -18.728 -6.762 3.210 1.00 74.21 H new ATOM 426 N HIS A 63 -13.096 -8.026 -0.687 1.00 25.13 N ATOM 427 CA HIS A 63 -12.175 -8.231 0.428 1.00 62.45 C ATOM 428 C HIS A 63 -10.770 -7.774 0.048 1.00 73.12 C ATOM 429 O HIS A 63 -9.924 -8.587 -0.330 1.00 4.31 O ATOM 430 CB HIS A 63 -12.151 -9.700 0.877 1.00 32.04 C ATOM 431 CG HIS A 63 -13.012 -9.976 2.065 1.00 73.24 C ATOM 432 ND1 HIS A 63 -13.630 -11.184 2.280 1.00 44.34 N ATOM 433 CD2 HIS A 63 -13.320 -9.204 3.135 1.00 13.44 C ATOM 434 CE1 HIS A 63 -14.274 -11.148 3.424 1.00 73.40 C ATOM 435 NE2 HIS A 63 -14.103 -9.962 3.964 1.00 21.11 N ATOM 0 H HIS A 63 -13.278 -8.858 -1.249 1.00 25.13 H new ATOM 0 HA HIS A 63 -12.531 -7.631 1.265 1.00 62.45 H new ATOM 0 HB2 HIS A 63 -12.476 -10.330 0.049 1.00 32.04 H new ATOM 0 HB3 HIS A 63 -11.124 -9.984 1.109 1.00 32.04 H new ATOM 0 HD2 HIS A 63 -13.007 -8.184 3.302 1.00 13.44 H new ATOM 0 HE1 HIS A 63 -14.848 -11.958 3.850 1.00 73.40 H new ATOM 0 HE2 HIS A 63 -14.491 -9.656 4.856 1.00 21.11 H new ATOM 444 N TYR A 64 -10.528 -6.470 0.130 1.00 32.00 N ATOM 445 CA TYR A 64 -9.227 -5.921 -0.230 1.00 20.24 C ATOM 446 C TYR A 64 -8.156 -6.334 0.790 1.00 1.34 C ATOM 447 O TYR A 64 -8.108 -5.840 1.917 1.00 4.23 O ATOM 448 CB TYR A 64 -9.291 -4.391 -0.392 1.00 51.12 C ATOM 449 CG TYR A 64 -9.592 -3.607 0.878 1.00 74.31 C ATOM 450 CD1 TYR A 64 -10.897 -3.422 1.319 1.00 15.24 C ATOM 451 CD2 TYR A 64 -8.567 -3.036 1.623 1.00 74.11 C ATOM 452 CE1 TYR A 64 -11.167 -2.696 2.465 1.00 32.14 C ATOM 453 CE2 TYR A 64 -8.832 -2.311 2.766 1.00 53.51 C ATOM 454 CZ TYR A 64 -10.130 -2.143 3.183 1.00 72.14 C ATOM 455 OH TYR A 64 -10.394 -1.416 4.321 1.00 64.14 O ATOM 0 H TYR A 64 -11.211 -5.778 0.440 1.00 32.00 H new ATOM 0 HA TYR A 64 -8.943 -6.338 -1.196 1.00 20.24 H new ATOM 0 HB2 TYR A 64 -8.338 -4.046 -0.793 1.00 51.12 H new ATOM 0 HB3 TYR A 64 -10.054 -4.154 -1.133 1.00 51.12 H new ATOM 0 HD1 TYR A 64 -11.713 -3.852 0.758 1.00 15.24 H new ATOM 0 HD2 TYR A 64 -7.544 -3.162 1.301 1.00 74.11 H new ATOM 0 HE1 TYR A 64 -12.187 -2.563 2.795 1.00 32.14 H new ATOM 0 HE2 TYR A 64 -8.021 -1.877 3.332 1.00 53.51 H new ATOM 0 HH TYR A 64 -9.552 -1.097 4.708 1.00 64.14 H new ATOM 465 N VAL A 65 -7.339 -7.298 0.397 1.00 53.33 N ATOM 466 CA VAL A 65 -6.201 -7.726 1.200 1.00 14.14 C ATOM 467 C VAL A 65 -4.906 -7.447 0.424 1.00 23.25 C ATOM 468 O VAL A 65 -4.605 -8.111 -0.568 1.00 34.43 O ATOM 469 CB VAL A 65 -6.300 -9.237 1.554 1.00 54.42 C ATOM 470 CG1 VAL A 65 -5.125 -9.673 2.436 1.00 64.40 C ATOM 471 CG2 VAL A 65 -7.642 -9.548 2.234 1.00 75.30 C ATOM 0 H VAL A 65 -7.443 -7.804 -0.482 1.00 53.33 H new ATOM 0 HA VAL A 65 -6.200 -7.166 2.135 1.00 14.14 H new ATOM 0 HB VAL A 65 -6.249 -9.806 0.626 1.00 54.42 H new ATOM 0 HG11 VAL A 65 -5.219 -10.734 2.669 1.00 64.40 H new ATOM 0 HG12 VAL A 65 -4.188 -9.499 1.906 1.00 64.40 H new ATOM 0 HG13 VAL A 65 -5.131 -9.097 3.361 1.00 64.40 H new ATOM 0 HG21 VAL A 65 -7.691 -10.610 2.473 1.00 75.30 H new ATOM 0 HG22 VAL A 65 -7.729 -8.965 3.151 1.00 75.30 H new ATOM 0 HG23 VAL A 65 -8.459 -9.290 1.561 1.00 75.30 H new ATOM 481 N SER A 66 -4.147 -6.455 0.878 1.00 71.11 N ATOM 482 CA SER A 66 -2.974 -5.978 0.137 1.00 51.00 C ATOM 483 C SER A 66 -1.667 -6.484 0.749 1.00 11.33 C ATOM 484 O SER A 66 -1.564 -6.670 1.963 1.00 53.33 O ATOM 485 CB SER A 66 -2.963 -4.446 0.096 1.00 62.54 C ATOM 486 OG SER A 66 -2.899 -3.898 1.405 1.00 64.13 O ATOM 0 H SER A 66 -4.319 -5.963 1.755 1.00 71.11 H new ATOM 0 HA SER A 66 -3.046 -6.374 -0.876 1.00 51.00 H new ATOM 0 HB2 SER A 66 -2.109 -4.101 -0.488 1.00 62.54 H new ATOM 0 HB3 SER A 66 -3.860 -4.087 -0.408 1.00 62.54 H new ATOM 0 HG SER A 66 -3.761 -4.022 1.854 1.00 64.13 H new ATOM 492 N THR A 67 -0.670 -6.699 -0.102 1.00 41.42 N ATOM 493 CA THR A 67 0.657 -7.151 0.342 1.00 34.04 C ATOM 494 C THR A 67 1.750 -6.138 -0.020 1.00 62.13 C ATOM 495 O THR A 67 1.626 -5.403 -1.002 1.00 2.42 O ATOM 496 CB THR A 67 1.037 -8.517 -0.290 1.00 12.31 C ATOM 497 OG1 THR A 67 0.941 -8.452 -1.724 1.00 71.32 O ATOM 498 CG2 THR A 67 0.143 -9.637 0.234 1.00 41.43 C ATOM 0 H THR A 67 -0.750 -6.569 -1.110 1.00 41.42 H new ATOM 0 HA THR A 67 0.594 -7.252 1.425 1.00 34.04 H new ATOM 0 HB THR A 67 2.067 -8.736 -0.008 1.00 12.31 H new ATOM 0 HG1 THR A 67 1.185 -9.320 -2.108 1.00 71.32 H new ATOM 0 HG21 THR A 67 0.434 -10.581 -0.227 1.00 41.43 H new ATOM 0 HG22 THR A 67 0.252 -9.713 1.316 1.00 41.43 H new ATOM 0 HG23 THR A 67 -0.896 -9.418 -0.012 1.00 41.43 H new ATOM 506 N PRO A 68 2.829 -6.062 0.790 1.00 3.25 N ATOM 507 CA PRO A 68 4.039 -5.296 0.430 1.00 64.31 C ATOM 508 C PRO A 68 4.719 -5.855 -0.837 1.00 22.12 C ATOM 509 O PRO A 68 4.379 -6.940 -1.310 1.00 50.03 O ATOM 510 CB PRO A 68 4.958 -5.469 1.655 1.00 50.32 C ATOM 511 CG PRO A 68 4.057 -5.896 2.764 1.00 34.44 C ATOM 512 CD PRO A 68 2.947 -6.681 2.123 1.00 0.33 C ATOM 0 HA PRO A 68 3.811 -4.255 0.202 1.00 64.31 H new ATOM 0 HB2 PRO A 68 5.730 -6.215 1.466 1.00 50.32 H new ATOM 0 HB3 PRO A 68 5.468 -4.537 1.899 1.00 50.32 H new ATOM 0 HG2 PRO A 68 4.595 -6.505 3.490 1.00 34.44 H new ATOM 0 HG3 PRO A 68 3.664 -5.033 3.301 1.00 34.44 H new ATOM 0 HD2 PRO A 68 3.190 -7.741 2.055 1.00 0.33 H new ATOM 0 HD3 PRO A 68 2.018 -6.602 2.688 1.00 0.33 H new ATOM 520 N LYS A 69 5.682 -5.119 -1.386 1.00 55.34 N ATOM 521 CA LYS A 69 6.402 -5.573 -2.586 1.00 1.51 C ATOM 522 C LYS A 69 7.918 -5.584 -2.358 1.00 2.23 C ATOM 523 O LYS A 69 8.452 -4.763 -1.613 1.00 34.21 O ATOM 524 CB LYS A 69 6.089 -4.676 -3.790 1.00 40.22 C ATOM 525 CG LYS A 69 4.628 -4.674 -4.234 1.00 2.54 C ATOM 526 CD LYS A 69 4.464 -3.861 -5.520 1.00 52.44 C ATOM 527 CE LYS A 69 3.007 -3.632 -5.895 1.00 31.12 C ATOM 528 NZ LYS A 69 2.294 -4.881 -6.262 1.00 71.41 N ATOM 0 H LYS A 69 5.984 -4.213 -1.028 1.00 55.34 H new ATOM 0 HA LYS A 69 6.064 -6.589 -2.791 1.00 1.51 H new ATOM 0 HB2 LYS A 69 6.380 -3.654 -3.547 1.00 40.22 H new ATOM 0 HB3 LYS A 69 6.707 -4.993 -4.630 1.00 40.22 H new ATOM 0 HG2 LYS A 69 4.289 -5.697 -4.397 1.00 2.54 H new ATOM 0 HG3 LYS A 69 4.002 -4.253 -3.447 1.00 2.54 H new ATOM 0 HD2 LYS A 69 4.959 -2.897 -5.400 1.00 52.44 H new ATOM 0 HD3 LYS A 69 4.967 -4.378 -6.337 1.00 52.44 H new ATOM 0 HE2 LYS A 69 2.493 -3.161 -5.057 1.00 31.12 H new ATOM 0 HE3 LYS A 69 2.959 -2.935 -6.732 1.00 31.12 H new ATOM 0 HZ1 LYS A 69 1.323 -4.653 -6.556 1.00 71.41 H new ATOM 0 HZ2 LYS A 69 2.792 -5.347 -7.047 1.00 71.41 H new ATOM 0 HZ3 LYS A 69 2.267 -5.519 -5.441 1.00 71.41 H new ATOM 542 N ASP A 70 8.606 -6.513 -3.014 1.00 20.43 N ATOM 543 CA ASP A 70 10.065 -6.576 -2.958 1.00 24.12 C ATOM 544 C ASP A 70 10.687 -5.401 -3.732 1.00 30.33 C ATOM 545 O ASP A 70 10.898 -5.476 -4.947 1.00 12.42 O ATOM 546 CB ASP A 70 10.551 -7.915 -3.522 1.00 62.43 C ATOM 547 CG ASP A 70 12.044 -8.126 -3.337 1.00 24.44 C ATOM 548 OD1 ASP A 70 12.452 -8.609 -2.262 1.00 34.42 O ATOM 549 OD2 ASP A 70 12.816 -7.826 -4.273 1.00 61.43 O ATOM 0 H ASP A 70 8.177 -7.235 -3.592 1.00 20.43 H new ATOM 0 HA ASP A 70 10.382 -6.499 -1.918 1.00 24.12 H new ATOM 0 HB2 ASP A 70 10.011 -8.727 -3.034 1.00 62.43 H new ATOM 0 HB3 ASP A 70 10.311 -7.965 -4.584 1.00 62.43 H new ATOM 554 N ILE A 71 10.923 -4.296 -3.031 1.00 12.13 N ATOM 555 CA ILE A 71 11.531 -3.108 -3.636 1.00 52.14 C ATOM 556 C ILE A 71 13.046 -3.047 -3.350 1.00 21.24 C ATOM 557 O ILE A 71 13.468 -3.029 -2.191 1.00 53.01 O ATOM 558 CB ILE A 71 10.846 -1.816 -3.115 1.00 43.14 C ATOM 559 CG1 ILE A 71 9.326 -1.878 -3.368 1.00 54.11 C ATOM 560 CG2 ILE A 71 11.453 -0.575 -3.772 1.00 32.33 C ATOM 561 CD1 ILE A 71 8.562 -0.683 -2.831 1.00 33.02 C ATOM 0 H ILE A 71 10.703 -4.195 -2.040 1.00 12.13 H new ATOM 0 HA ILE A 71 11.386 -3.178 -4.714 1.00 52.14 H new ATOM 0 HB ILE A 71 11.017 -1.745 -2.041 1.00 43.14 H new ATOM 0 HG12 ILE A 71 9.150 -1.957 -4.441 1.00 54.11 H new ATOM 0 HG13 ILE A 71 8.929 -2.785 -2.912 1.00 54.11 H new ATOM 0 HG21 ILE A 71 10.957 0.318 -3.391 1.00 32.33 H new ATOM 0 HG22 ILE A 71 12.517 -0.525 -3.542 1.00 32.33 H new ATOM 0 HG23 ILE A 71 11.318 -0.632 -4.852 1.00 32.33 H new ATOM 0 HD11 ILE A 71 7.501 -0.802 -3.049 1.00 33.02 H new ATOM 0 HD12 ILE A 71 8.706 -0.614 -1.753 1.00 33.02 H new ATOM 0 HD13 ILE A 71 8.930 0.227 -3.305 1.00 33.02 H new ATOM 573 N PRO A 72 13.887 -3.004 -4.406 1.00 43.22 N ATOM 574 CA PRO A 72 15.355 -3.023 -4.250 1.00 61.11 C ATOM 575 C PRO A 72 15.904 -1.794 -3.500 1.00 52.33 C ATOM 576 O PRO A 72 15.838 -0.662 -3.992 1.00 75.51 O ATOM 577 CB PRO A 72 15.871 -3.054 -5.698 1.00 4.33 C ATOM 578 CG PRO A 72 14.753 -2.506 -6.522 1.00 5.44 C ATOM 579 CD PRO A 72 13.487 -2.930 -5.828 1.00 45.23 C ATOM 0 HA PRO A 72 15.680 -3.872 -3.648 1.00 61.11 H new ATOM 0 HB2 PRO A 72 16.773 -2.452 -5.808 1.00 4.33 H new ATOM 0 HB3 PRO A 72 16.125 -4.069 -6.004 1.00 4.33 H new ATOM 0 HG2 PRO A 72 14.815 -1.420 -6.593 1.00 5.44 H new ATOM 0 HG3 PRO A 72 14.790 -2.895 -7.540 1.00 5.44 H new ATOM 0 HD2 PRO A 72 12.683 -2.210 -5.983 1.00 45.23 H new ATOM 0 HD3 PRO A 72 13.129 -3.892 -6.196 1.00 45.23 H new ATOM 587 N GLY A 73 16.441 -2.026 -2.302 1.00 44.15 N ATOM 588 CA GLY A 73 17.025 -0.950 -1.510 1.00 61.01 C ATOM 589 C GLY A 73 16.050 -0.330 -0.515 1.00 52.22 C ATOM 590 O GLY A 73 16.354 0.693 0.105 1.00 65.13 O ATOM 0 H GLY A 73 16.482 -2.946 -1.863 1.00 44.15 H new ATOM 0 HA2 GLY A 73 17.889 -1.336 -0.968 1.00 61.01 H new ATOM 0 HA3 GLY A 73 17.391 -0.173 -2.181 1.00 61.01 H new ATOM 594 N TYR A 74 14.877 -0.941 -0.349 1.00 50.00 N ATOM 595 CA TYR A 74 13.867 -0.422 0.582 1.00 65.40 C ATOM 596 C TYR A 74 13.348 -1.483 1.565 1.00 11.33 C ATOM 597 O TYR A 74 13.229 -2.665 1.244 1.00 23.23 O ATOM 598 CB TYR A 74 12.706 0.206 -0.192 1.00 0.12 C ATOM 599 CG TYR A 74 13.030 1.595 -0.699 1.00 24.54 C ATOM 600 CD1 TYR A 74 12.819 2.704 0.108 1.00 63.10 C ATOM 601 CD2 TYR A 74 13.559 1.799 -1.969 1.00 21.14 C ATOM 602 CE1 TYR A 74 13.117 3.973 -0.331 1.00 54.22 C ATOM 603 CE2 TYR A 74 13.865 3.070 -2.416 1.00 53.12 C ATOM 604 CZ TYR A 74 13.642 4.155 -1.592 1.00 55.11 C ATOM 605 OH TYR A 74 13.942 5.428 -2.032 1.00 23.14 O ATOM 0 H TYR A 74 14.601 -1.790 -0.842 1.00 50.00 H new ATOM 0 HA TYR A 74 14.359 0.341 1.185 1.00 65.40 H new ATOM 0 HB2 TYR A 74 12.448 -0.434 -1.036 1.00 0.12 H new ATOM 0 HB3 TYR A 74 11.828 0.254 0.452 1.00 0.12 H new ATOM 0 HD1 TYR A 74 12.413 2.568 1.100 1.00 63.10 H new ATOM 0 HD2 TYR A 74 13.733 0.951 -2.615 1.00 21.14 H new ATOM 0 HE1 TYR A 74 12.940 4.824 0.310 1.00 54.22 H new ATOM 0 HE2 TYR A 74 14.276 3.214 -3.404 1.00 53.12 H new ATOM 0 HH TYR A 74 14.305 5.383 -2.941 1.00 23.14 H new ATOM 615 N LYS A 75 13.054 -1.018 2.777 1.00 14.25 N ATOM 616 CA LYS A 75 12.566 -1.858 3.879 1.00 35.23 C ATOM 617 C LYS A 75 11.121 -1.476 4.234 1.00 20.22 C ATOM 618 O LYS A 75 10.804 -0.295 4.312 1.00 31.40 O ATOM 619 CB LYS A 75 13.462 -1.622 5.107 1.00 23.42 C ATOM 620 CG LYS A 75 13.195 -2.555 6.280 1.00 25.10 C ATOM 621 CD LYS A 75 14.063 -2.203 7.488 1.00 70.32 C ATOM 622 CE LYS A 75 15.556 -2.334 7.185 1.00 11.34 C ATOM 623 NZ LYS A 75 16.405 -1.889 8.326 1.00 61.42 N ATOM 0 H LYS A 75 13.148 -0.034 3.029 1.00 14.25 H new ATOM 0 HA LYS A 75 12.594 -2.905 3.579 1.00 35.23 H new ATOM 0 HB2 LYS A 75 14.504 -1.729 4.805 1.00 23.42 H new ATOM 0 HB3 LYS A 75 13.332 -0.593 5.442 1.00 23.42 H new ATOM 0 HG2 LYS A 75 12.143 -2.498 6.559 1.00 25.10 H new ATOM 0 HG3 LYS A 75 13.390 -3.584 5.979 1.00 25.10 H new ATOM 0 HD2 LYS A 75 13.846 -1.182 7.804 1.00 70.32 H new ATOM 0 HD3 LYS A 75 13.805 -2.856 8.321 1.00 70.32 H new ATOM 0 HE2 LYS A 75 15.786 -3.372 6.947 1.00 11.34 H new ATOM 0 HE3 LYS A 75 15.799 -1.743 6.302 1.00 11.34 H new ATOM 0 HZ1 LYS A 75 17.408 -1.996 8.074 1.00 61.42 H new ATOM 0 HZ2 LYS A 75 16.206 -0.891 8.538 1.00 61.42 H new ATOM 0 HZ3 LYS A 75 16.194 -2.469 9.163 1.00 61.42 H new ATOM 637 N LEU A 76 10.245 -2.451 4.462 1.00 20.22 N ATOM 638 CA LEU A 76 8.869 -2.135 4.861 1.00 3.42 C ATOM 639 C LEU A 76 8.841 -1.503 6.261 1.00 54.04 C ATOM 640 O LEU A 76 9.057 -2.179 7.268 1.00 51.12 O ATOM 641 CB LEU A 76 7.980 -3.382 4.833 1.00 65.01 C ATOM 642 CG LEU A 76 6.511 -3.130 5.214 1.00 5.11 C ATOM 643 CD1 LEU A 76 5.806 -2.275 4.155 1.00 74.35 C ATOM 644 CD2 LEU A 76 5.787 -4.451 5.432 1.00 72.53 C ATOM 0 H LEU A 76 10.452 -3.446 4.381 1.00 20.22 H new ATOM 0 HA LEU A 76 8.475 -1.418 4.141 1.00 3.42 H new ATOM 0 HB2 LEU A 76 8.013 -3.813 3.833 1.00 65.01 H new ATOM 0 HB3 LEU A 76 8.396 -4.124 5.514 1.00 65.01 H new ATOM 0 HG LEU A 76 6.488 -2.572 6.150 1.00 5.11 H new ATOM 0 HD11 LEU A 76 4.769 -2.112 4.450 1.00 74.35 H new ATOM 0 HD12 LEU A 76 6.313 -1.314 4.067 1.00 74.35 H new ATOM 0 HD13 LEU A 76 5.834 -2.790 3.194 1.00 74.35 H new ATOM 0 HD21 LEU A 76 4.749 -4.257 5.701 1.00 72.53 H new ATOM 0 HD22 LEU A 76 5.820 -5.040 4.515 1.00 72.53 H new ATOM 0 HD23 LEU A 76 6.273 -5.004 6.236 1.00 72.53 H new ATOM 656 N ARG A 77 8.590 -0.198 6.312 1.00 31.12 N ATOM 657 CA ARG A 77 8.583 0.547 7.572 1.00 25.22 C ATOM 658 C ARG A 77 7.367 0.176 8.432 1.00 25.25 C ATOM 659 O ARG A 77 7.498 -0.100 9.625 1.00 30.34 O ATOM 660 CB ARG A 77 8.575 2.057 7.282 1.00 14.24 C ATOM 661 CG ARG A 77 8.857 2.938 8.499 1.00 62.40 C ATOM 662 CD ARG A 77 8.647 4.418 8.180 1.00 61.22 C ATOM 663 NE ARG A 77 9.166 5.297 9.228 1.00 43.30 N ATOM 664 CZ ARG A 77 8.466 6.229 9.823 1.00 63.54 C ATOM 665 NH1 ARG A 77 7.186 6.311 9.649 1.00 4.20 N ATOM 666 NH2 ARG A 77 9.045 7.046 10.644 1.00 0.20 N ATOM 0 H ARG A 77 8.387 0.371 5.490 1.00 31.12 H new ATOM 0 HA ARG A 77 9.483 0.284 8.127 1.00 25.22 H new ATOM 0 HB2 ARG A 77 9.319 2.271 6.515 1.00 14.24 H new ATOM 0 HB3 ARG A 77 7.604 2.330 6.869 1.00 14.24 H new ATOM 0 HG2 ARG A 77 8.203 2.645 9.321 1.00 62.40 H new ATOM 0 HG3 ARG A 77 9.882 2.779 8.835 1.00 62.40 H new ATOM 0 HD2 ARG A 77 9.137 4.656 7.236 1.00 61.22 H new ATOM 0 HD3 ARG A 77 7.583 4.609 8.044 1.00 61.22 H new ATOM 0 HE ARG A 77 10.138 5.175 9.514 1.00 43.30 H new ATOM 0 HH11 ARG A 77 6.710 5.644 9.042 1.00 4.20 H new ATOM 0 HH12 ARG A 77 6.653 7.043 10.119 1.00 4.20 H new ATOM 0 HH21 ARG A 77 10.045 6.963 10.826 1.00 0.20 H new ATOM 0 HH22 ARG A 77 8.501 7.773 11.109 1.00 0.20 H new ATOM 680 N GLU A 78 6.187 0.153 7.811 1.00 60.52 N ATOM 681 CA GLU A 78 4.932 -0.083 8.535 1.00 42.41 C ATOM 682 C GLU A 78 3.782 -0.461 7.581 1.00 22.32 C ATOM 683 O GLU A 78 3.821 -0.158 6.385 1.00 74.44 O ATOM 684 CB GLU A 78 4.561 1.178 9.331 1.00 22.44 C ATOM 685 CG GLU A 78 4.385 2.416 8.454 1.00 64.02 C ATOM 686 CD GLU A 78 4.409 3.712 9.247 1.00 24.22 C ATOM 687 OE1 GLU A 78 3.342 4.159 9.716 1.00 54.44 O ATOM 688 OE2 GLU A 78 5.502 4.293 9.402 1.00 2.51 O ATOM 0 H GLU A 78 6.071 0.295 6.808 1.00 60.52 H new ATOM 0 HA GLU A 78 5.083 -0.923 9.213 1.00 42.41 H new ATOM 0 HB2 GLU A 78 3.636 0.995 9.879 1.00 22.44 H new ATOM 0 HB3 GLU A 78 5.337 1.373 10.072 1.00 22.44 H new ATOM 0 HG2 GLU A 78 5.177 2.440 7.705 1.00 64.02 H new ATOM 0 HG3 GLU A 78 3.440 2.343 7.916 1.00 64.02 H new ATOM 695 N ILE A 79 2.761 -1.128 8.122 1.00 32.01 N ATOM 696 CA ILE A 79 1.563 -1.502 7.358 1.00 41.21 C ATOM 697 C ILE A 79 0.343 -0.676 7.812 1.00 24.40 C ATOM 698 O ILE A 79 -0.018 -0.691 8.992 1.00 21.13 O ATOM 699 CB ILE A 79 1.255 -3.019 7.502 1.00 74.13 C ATOM 700 CG1 ILE A 79 2.351 -3.857 6.811 1.00 22.13 C ATOM 701 CG2 ILE A 79 -0.123 -3.361 6.928 1.00 1.34 C ATOM 702 CD1 ILE A 79 2.140 -5.355 6.904 1.00 74.35 C ATOM 0 H ILE A 79 2.738 -1.424 9.098 1.00 32.01 H new ATOM 0 HA ILE A 79 1.764 -1.287 6.308 1.00 41.21 H new ATOM 0 HB ILE A 79 1.245 -3.262 8.565 1.00 74.13 H new ATOM 0 HG12 ILE A 79 2.401 -3.573 5.760 1.00 22.13 H new ATOM 0 HG13 ILE A 79 3.316 -3.609 7.254 1.00 22.13 H new ATOM 0 HG21 ILE A 79 -0.310 -4.429 7.043 1.00 1.34 H new ATOM 0 HG22 ILE A 79 -0.889 -2.799 7.462 1.00 1.34 H new ATOM 0 HG23 ILE A 79 -0.152 -3.099 5.870 1.00 1.34 H new ATOM 0 HD11 ILE A 79 2.954 -5.869 6.393 1.00 74.35 H new ATOM 0 HD12 ILE A 79 2.121 -5.655 7.952 1.00 74.35 H new ATOM 0 HD13 ILE A 79 1.193 -5.619 6.434 1.00 74.35 H new ATOM 714 N PRO A 80 -0.307 0.057 6.880 1.00 34.20 N ATOM 715 CA PRO A 80 -1.449 0.942 7.196 1.00 41.22 C ATOM 716 C PRO A 80 -2.614 0.237 7.923 1.00 3.21 C ATOM 717 O PRO A 80 -2.929 -0.928 7.663 1.00 54.41 O ATOM 718 CB PRO A 80 -1.908 1.451 5.813 1.00 21.21 C ATOM 719 CG PRO A 80 -1.272 0.531 4.826 1.00 34.25 C ATOM 720 CD PRO A 80 0.027 0.103 5.447 1.00 73.14 C ATOM 0 HA PRO A 80 -1.146 1.728 7.888 1.00 41.22 H new ATOM 0 HB2 PRO A 80 -2.994 1.431 5.727 1.00 21.21 H new ATOM 0 HB3 PRO A 80 -1.594 2.482 5.649 1.00 21.21 H new ATOM 0 HG2 PRO A 80 -1.911 -0.328 4.624 1.00 34.25 H new ATOM 0 HG3 PRO A 80 -1.104 1.034 3.874 1.00 34.25 H new ATOM 0 HD2 PRO A 80 0.355 -0.868 5.075 1.00 73.14 H new ATOM 0 HD3 PRO A 80 0.829 0.811 5.239 1.00 73.14 H new ATOM 728 N HIS A 81 -3.267 0.978 8.823 1.00 21.02 N ATOM 729 CA HIS A 81 -4.398 0.465 9.615 1.00 2.32 C ATOM 730 C HIS A 81 -5.572 -0.027 8.739 1.00 45.12 C ATOM 731 O HIS A 81 -6.432 -0.771 9.208 1.00 14.05 O ATOM 732 CB HIS A 81 -4.898 1.558 10.572 1.00 55.42 C ATOM 733 CG HIS A 81 -5.387 2.795 9.870 1.00 11.23 C ATOM 734 ND1 HIS A 81 -4.546 3.786 9.409 1.00 65.11 N ATOM 735 CD2 HIS A 81 -6.639 3.194 9.542 1.00 34.34 C ATOM 736 CE1 HIS A 81 -5.256 4.734 8.835 1.00 62.42 C ATOM 737 NE2 HIS A 81 -6.526 4.401 8.901 1.00 35.03 N ATOM 0 H HIS A 81 -3.030 1.949 9.026 1.00 21.02 H new ATOM 0 HA HIS A 81 -4.030 -0.395 10.174 1.00 2.32 H new ATOM 0 HB2 HIS A 81 -5.706 1.153 11.182 1.00 55.42 H new ATOM 0 HB3 HIS A 81 -4.091 1.831 11.252 1.00 55.42 H new ATOM 0 HD2 HIS A 81 -7.556 2.661 9.747 1.00 34.34 H new ATOM 0 HE1 HIS A 81 -4.862 5.634 8.386 1.00 62.42 H new ATOM 0 HE2 HIS A 81 -7.302 4.952 8.534 1.00 35.03 H new ATOM 746 N ASN A 82 -5.614 0.409 7.484 1.00 70.32 N ATOM 747 CA ASN A 82 -6.700 0.043 6.566 1.00 73.30 C ATOM 748 C ASN A 82 -6.184 -0.784 5.374 1.00 21.52 C ATOM 749 O ASN A 82 -6.728 -0.706 4.276 1.00 65.11 O ATOM 750 CB ASN A 82 -7.401 1.316 6.061 1.00 5.50 C ATOM 751 CG ASN A 82 -6.455 2.255 5.331 1.00 52.20 C ATOM 752 OD1 ASN A 82 -5.268 2.322 5.634 1.00 74.31 O ATOM 753 ND2 ASN A 82 -6.974 2.996 4.371 1.00 4.01 N ATOM 0 H ASN A 82 -4.908 1.019 7.073 1.00 70.32 H new ATOM 0 HA ASN A 82 -7.410 -0.576 7.114 1.00 73.30 H new ATOM 0 HB2 ASN A 82 -8.216 1.037 5.394 1.00 5.50 H new ATOM 0 HB3 ASN A 82 -7.847 1.840 6.906 1.00 5.50 H new ATOM 0 HD21 ASN A 82 -6.384 3.649 3.856 1.00 4.01 H new ATOM 0 HD22 ASN A 82 -7.965 2.916 4.144 1.00 4.01 H new ATOM 760 N ALA A 83 -5.149 -1.593 5.606 1.00 32.42 N ATOM 761 CA ALA A 83 -4.517 -2.379 4.534 1.00 13.35 C ATOM 762 C ALA A 83 -5.331 -3.622 4.144 1.00 52.11 C ATOM 763 O ALA A 83 -5.256 -4.092 3.002 1.00 5.22 O ATOM 764 CB ALA A 83 -3.109 -2.792 4.950 1.00 43.44 C ATOM 0 H ALA A 83 -4.727 -1.724 6.525 1.00 32.42 H new ATOM 0 HA ALA A 83 -4.475 -1.736 3.655 1.00 13.35 H new ATOM 0 HB1 ALA A 83 -2.649 -3.373 4.151 1.00 43.44 H new ATOM 0 HB2 ALA A 83 -2.510 -1.902 5.142 1.00 43.44 H new ATOM 0 HB3 ALA A 83 -3.160 -3.397 5.855 1.00 43.44 H new ATOM 770 N THR A 84 -6.090 -4.170 5.093 1.00 22.33 N ATOM 771 CA THR A 84 -6.875 -5.393 4.852 1.00 32.42 C ATOM 772 C THR A 84 -8.293 -5.285 5.427 1.00 21.10 C ATOM 773 O THR A 84 -8.470 -4.949 6.600 1.00 73.23 O ATOM 774 CB THR A 84 -6.193 -6.638 5.477 1.00 4.11 C ATOM 775 OG1 THR A 84 -6.042 -6.459 6.897 1.00 3.14 O ATOM 776 CG2 THR A 84 -4.826 -6.898 4.849 1.00 64.25 C ATOM 0 H THR A 84 -6.182 -3.792 6.036 1.00 22.33 H new ATOM 0 HA THR A 84 -6.930 -5.506 3.769 1.00 32.42 H new ATOM 0 HB THR A 84 -6.831 -7.500 5.281 1.00 4.11 H new ATOM 0 HG1 THR A 84 -6.821 -5.982 7.251 1.00 3.14 H new ATOM 0 HG21 THR A 84 -4.375 -7.777 5.310 1.00 64.25 H new ATOM 0 HG22 THR A 84 -4.944 -7.069 3.779 1.00 64.25 H new ATOM 0 HG23 THR A 84 -4.182 -6.034 5.010 1.00 64.25 H new ATOM 784 N GLY A 85 -9.300 -5.590 4.609 1.00 22.51 N ATOM 785 CA GLY A 85 -10.683 -5.572 5.082 1.00 72.03 C ATOM 786 C GLY A 85 -11.708 -5.791 3.971 1.00 32.24 C ATOM 787 O GLY A 85 -11.441 -6.492 2.994 1.00 71.13 O ATOM 0 H GLY A 85 -9.187 -5.849 3.629 1.00 22.51 H new ATOM 0 HA2 GLY A 85 -10.810 -6.345 5.840 1.00 72.03 H new ATOM 0 HA3 GLY A 85 -10.881 -4.615 5.565 1.00 72.03 H new ATOM 791 N ASN A 86 -12.889 -5.196 4.129 1.00 14.40 N ATOM 792 CA ASN A 86 -13.960 -5.284 3.132 1.00 20.04 C ATOM 793 C ASN A 86 -14.315 -3.893 2.583 1.00 55.14 C ATOM 794 O ASN A 86 -14.396 -2.924 3.337 1.00 64.33 O ATOM 795 CB ASN A 86 -15.200 -5.948 3.751 1.00 62.34 C ATOM 796 CG ASN A 86 -15.681 -5.260 5.019 1.00 42.50 C ATOM 797 OD1 ASN A 86 -14.897 -4.686 5.772 1.00 51.12 O ATOM 798 ND2 ASN A 86 -16.971 -5.318 5.271 1.00 41.40 N ATOM 0 H ASN A 86 -13.132 -4.640 4.949 1.00 14.40 H new ATOM 0 HA ASN A 86 -13.608 -5.895 2.301 1.00 20.04 H new ATOM 0 HB2 ASN A 86 -16.007 -5.949 3.018 1.00 62.34 H new ATOM 0 HB3 ASN A 86 -14.972 -6.990 3.975 1.00 62.34 H new ATOM 0 HD21 ASN A 86 -17.347 -4.879 6.111 1.00 41.40 H new ATOM 0 HD22 ASN A 86 -17.595 -5.802 4.626 1.00 41.40 H new ATOM 805 N ILE A 87 -14.512 -3.792 1.267 1.00 2.33 N ATOM 806 CA ILE A 87 -14.837 -2.506 0.639 1.00 74.32 C ATOM 807 C ILE A 87 -16.188 -1.973 1.135 1.00 70.22 C ATOM 808 O ILE A 87 -17.250 -2.341 0.630 1.00 53.43 O ATOM 809 CB ILE A 87 -14.858 -2.602 -0.910 1.00 64.23 C ATOM 810 CG1 ILE A 87 -13.478 -3.023 -1.445 1.00 31.24 C ATOM 811 CG2 ILE A 87 -15.287 -1.269 -1.525 1.00 54.31 C ATOM 812 CD1 ILE A 87 -13.395 -3.081 -2.958 1.00 64.43 C ATOM 0 H ILE A 87 -14.453 -4.577 0.618 1.00 2.33 H new ATOM 0 HA ILE A 87 -14.048 -1.812 0.929 1.00 74.32 H new ATOM 0 HB ILE A 87 -15.584 -3.363 -1.196 1.00 64.23 H new ATOM 0 HG12 ILE A 87 -12.728 -2.323 -1.077 1.00 31.24 H new ATOM 0 HG13 ILE A 87 -13.226 -4.003 -1.040 1.00 31.24 H new ATOM 0 HG21 ILE A 87 -15.296 -1.356 -2.612 1.00 54.31 H new ATOM 0 HG22 ILE A 87 -16.286 -1.011 -1.173 1.00 54.31 H new ATOM 0 HG23 ILE A 87 -14.585 -0.489 -1.229 1.00 54.31 H new ATOM 0 HD11 ILE A 87 -12.392 -3.385 -3.256 1.00 64.43 H new ATOM 0 HD12 ILE A 87 -14.120 -3.803 -3.335 1.00 64.43 H new ATOM 0 HD13 ILE A 87 -13.614 -2.097 -3.372 1.00 64.43 H new ATOM 824 N THR A 88 -16.131 -1.117 2.145 1.00 35.41 N ATOM 825 CA THR A 88 -17.331 -0.483 2.702 1.00 15.14 C ATOM 826 C THR A 88 -17.390 1.004 2.322 1.00 51.42 C ATOM 827 O THR A 88 -18.189 1.774 2.860 1.00 32.44 O ATOM 828 CB THR A 88 -17.368 -0.634 4.242 1.00 35.24 C ATOM 829 OG1 THR A 88 -16.239 0.032 4.836 1.00 5.22 O ATOM 830 CG2 THR A 88 -17.354 -2.109 4.644 1.00 64.05 C ATOM 0 H THR A 88 -15.263 -0.840 2.603 1.00 35.41 H new ATOM 0 HA THR A 88 -18.200 -0.987 2.279 1.00 15.14 H new ATOM 0 HB THR A 88 -18.290 -0.178 4.602 1.00 35.24 H new ATOM 0 HG1 THR A 88 -16.275 -0.069 5.810 1.00 5.22 H new ATOM 0 HG21 THR A 88 -17.380 -2.190 5.731 1.00 64.05 H new ATOM 0 HG22 THR A 88 -18.225 -2.610 4.221 1.00 64.05 H new ATOM 0 HG23 THR A 88 -16.446 -2.580 4.267 1.00 64.05 H new ATOM 838 N ASP A 89 -16.539 1.387 1.372 1.00 21.41 N ATOM 839 CA ASP A 89 -16.470 2.760 0.870 1.00 43.35 C ATOM 840 C ASP A 89 -16.020 2.773 -0.604 1.00 1.03 C ATOM 841 O ASP A 89 -15.367 1.840 -1.070 1.00 41.53 O ATOM 842 CB ASP A 89 -15.513 3.588 1.742 1.00 61.04 C ATOM 843 CG ASP A 89 -15.323 5.007 1.236 1.00 15.45 C ATOM 844 OD1 ASP A 89 -16.325 5.651 0.860 1.00 3.30 O ATOM 845 OD2 ASP A 89 -14.172 5.487 1.219 1.00 31.54 O ATOM 0 H ASP A 89 -15.876 0.753 0.927 1.00 21.41 H new ATOM 0 HA ASP A 89 -17.463 3.207 0.923 1.00 43.35 H new ATOM 0 HB2 ASP A 89 -15.897 3.621 2.762 1.00 61.04 H new ATOM 0 HB3 ASP A 89 -14.544 3.090 1.782 1.00 61.04 H new ATOM 850 N THR A 90 -16.369 3.836 -1.325 1.00 1.44 N ATOM 851 CA THR A 90 -16.116 3.917 -2.772 1.00 34.53 C ATOM 852 C THR A 90 -14.640 4.152 -3.103 1.00 33.13 C ATOM 853 O THR A 90 -14.119 3.604 -4.078 1.00 41.10 O ATOM 854 CB THR A 90 -16.949 5.041 -3.429 1.00 2.55 C ATOM 855 OG1 THR A 90 -16.562 6.326 -2.909 1.00 24.51 O ATOM 856 CG2 THR A 90 -18.431 4.822 -3.180 1.00 25.24 C ATOM 0 H THR A 90 -16.829 4.658 -0.935 1.00 1.44 H new ATOM 0 HA THR A 90 -16.413 2.948 -3.174 1.00 34.53 H new ATOM 0 HB THR A 90 -16.759 5.017 -4.502 1.00 2.55 H new ATOM 0 HG1 THR A 90 -17.098 7.027 -3.336 1.00 24.51 H new ATOM 0 HG21 THR A 90 -19.001 5.623 -3.650 1.00 25.24 H new ATOM 0 HG22 THR A 90 -18.734 3.864 -3.604 1.00 25.24 H new ATOM 0 HG23 THR A 90 -18.623 4.821 -2.107 1.00 25.24 H new ATOM 864 N GLY A 91 -13.975 4.964 -2.292 1.00 11.42 N ATOM 865 CA GLY A 91 -12.594 5.345 -2.575 1.00 0.50 C ATOM 866 C GLY A 91 -11.641 5.117 -1.407 1.00 11.43 C ATOM 867 O GLY A 91 -11.233 6.067 -0.735 1.00 33.23 O ATOM 0 H GLY A 91 -14.363 5.369 -1.440 1.00 11.42 H new ATOM 0 HA2 GLY A 91 -12.240 4.779 -3.436 1.00 0.50 H new ATOM 0 HA3 GLY A 91 -12.567 6.399 -2.853 1.00 0.50 H new ATOM 871 N ILE A 92 -11.269 3.862 -1.173 1.00 53.35 N ATOM 872 CA ILE A 92 -10.315 3.523 -0.112 1.00 24.24 C ATOM 873 C ILE A 92 -8.875 3.518 -0.653 1.00 32.11 C ATOM 874 O ILE A 92 -8.624 3.066 -1.769 1.00 22.21 O ATOM 875 CB ILE A 92 -10.631 2.137 0.506 1.00 11.34 C ATOM 876 CG1 ILE A 92 -12.073 2.110 1.045 1.00 74.13 C ATOM 877 CG2 ILE A 92 -9.629 1.796 1.615 1.00 55.14 C ATOM 878 CD1 ILE A 92 -12.491 0.770 1.617 1.00 35.14 C ATOM 0 H ILE A 92 -11.612 3.060 -1.702 1.00 53.35 H new ATOM 0 HA ILE A 92 -10.408 4.285 0.662 1.00 24.24 H new ATOM 0 HB ILE A 92 -10.540 1.381 -0.274 1.00 11.34 H new ATOM 0 HG12 ILE A 92 -12.176 2.872 1.818 1.00 74.13 H new ATOM 0 HG13 ILE A 92 -12.756 2.379 0.240 1.00 74.13 H new ATOM 0 HG21 ILE A 92 -9.869 0.819 2.035 1.00 55.14 H new ATOM 0 HG22 ILE A 92 -8.621 1.775 1.201 1.00 55.14 H new ATOM 0 HG23 ILE A 92 -9.683 2.551 2.399 1.00 55.14 H new ATOM 0 HD11 ILE A 92 -13.518 0.832 1.976 1.00 35.14 H new ATOM 0 HD12 ILE A 92 -12.423 0.006 0.842 1.00 35.14 H new ATOM 0 HD13 ILE A 92 -11.833 0.507 2.445 1.00 35.14 H new ATOM 890 N ILE A 93 -7.934 4.030 0.136 1.00 44.53 N ATOM 891 CA ILE A 93 -6.523 4.055 -0.263 1.00 4.02 C ATOM 892 C ILE A 93 -5.624 3.397 0.789 1.00 22.42 C ATOM 893 O ILE A 93 -5.674 3.736 1.973 1.00 45.15 O ATOM 894 CB ILE A 93 -6.025 5.498 -0.530 1.00 24.21 C ATOM 895 CG1 ILE A 93 -6.864 6.150 -1.646 1.00 50.31 C ATOM 896 CG2 ILE A 93 -4.537 5.489 -0.901 1.00 41.04 C ATOM 897 CD1 ILE A 93 -6.482 7.583 -1.958 1.00 70.43 C ATOM 0 H ILE A 93 -8.119 4.433 1.054 1.00 44.53 H new ATOM 0 HA ILE A 93 -6.459 3.484 -1.189 1.00 4.02 H new ATOM 0 HB ILE A 93 -6.145 6.087 0.379 1.00 24.21 H new ATOM 0 HG12 ILE A 93 -6.765 5.554 -2.554 1.00 50.31 H new ATOM 0 HG13 ILE A 93 -7.915 6.121 -1.358 1.00 50.31 H new ATOM 0 HG21 ILE A 93 -4.202 6.510 -1.086 1.00 41.04 H new ATOM 0 HG22 ILE A 93 -3.960 5.060 -0.081 1.00 41.04 H new ATOM 0 HG23 ILE A 93 -4.390 4.891 -1.800 1.00 41.04 H new ATOM 0 HD11 ILE A 93 -7.121 7.965 -2.754 1.00 70.43 H new ATOM 0 HD12 ILE A 93 -6.608 8.196 -1.065 1.00 70.43 H new ATOM 0 HD13 ILE A 93 -5.441 7.620 -2.279 1.00 70.43 H new ATOM 909 N VAL A 94 -4.799 2.455 0.342 1.00 62.41 N ATOM 910 CA VAL A 94 -3.864 1.752 1.219 1.00 41.34 C ATOM 911 C VAL A 94 -2.415 2.158 0.912 1.00 31.14 C ATOM 912 O VAL A 94 -1.872 1.810 -0.133 1.00 1.25 O ATOM 913 CB VAL A 94 -4.012 0.219 1.064 1.00 2.23 C ATOM 914 CG1 VAL A 94 -3.008 -0.516 1.941 1.00 31.45 C ATOM 915 CG2 VAL A 94 -5.438 -0.223 1.386 1.00 2.24 C ATOM 0 H VAL A 94 -4.758 2.157 -0.633 1.00 62.41 H new ATOM 0 HA VAL A 94 -4.102 2.032 2.245 1.00 41.34 H new ATOM 0 HB VAL A 94 -3.803 -0.036 0.025 1.00 2.23 H new ATOM 0 HG11 VAL A 94 -3.133 -1.591 1.814 1.00 31.45 H new ATOM 0 HG12 VAL A 94 -1.996 -0.231 1.653 1.00 31.45 H new ATOM 0 HG13 VAL A 94 -3.175 -0.252 2.985 1.00 31.45 H new ATOM 0 HG21 VAL A 94 -5.519 -1.304 1.270 1.00 2.24 H new ATOM 0 HG22 VAL A 94 -5.681 0.051 2.413 1.00 2.24 H new ATOM 0 HG23 VAL A 94 -6.134 0.268 0.705 1.00 2.24 H new ATOM 925 N ARG A 95 -1.793 2.900 1.824 1.00 45.21 N ATOM 926 CA ARG A 95 -0.422 3.401 1.613 1.00 70.11 C ATOM 927 C ARG A 95 0.615 2.663 2.478 1.00 0.53 C ATOM 928 O ARG A 95 0.656 2.832 3.695 1.00 22.04 O ATOM 929 CB ARG A 95 -0.356 4.919 1.893 1.00 33.32 C ATOM 930 CG ARG A 95 -0.171 5.764 0.635 1.00 22.14 C ATOM 931 CD ARG A 95 -0.150 7.258 0.935 1.00 65.24 C ATOM 932 NE ARG A 95 -0.011 8.053 -0.286 1.00 42.22 N ATOM 933 CZ ARG A 95 -0.131 9.351 -0.342 1.00 13.22 C ATOM 934 NH1 ARG A 95 -0.383 10.035 0.728 1.00 52.23 N ATOM 935 NH2 ARG A 95 -0.002 9.958 -1.476 1.00 22.00 N ATOM 0 H ARG A 95 -2.208 3.171 2.716 1.00 45.21 H new ATOM 0 HA ARG A 95 -0.171 3.209 0.570 1.00 70.11 H new ATOM 0 HB2 ARG A 95 -1.272 5.227 2.397 1.00 33.32 H new ATOM 0 HB3 ARG A 95 0.467 5.118 2.579 1.00 33.32 H new ATOM 0 HG2 ARG A 95 0.761 5.482 0.145 1.00 22.14 H new ATOM 0 HG3 ARG A 95 -0.978 5.548 -0.066 1.00 22.14 H new ATOM 0 HD2 ARG A 95 -1.069 7.539 1.450 1.00 65.24 H new ATOM 0 HD3 ARG A 95 0.675 7.482 1.611 1.00 65.24 H new ATOM 0 HE ARG A 95 0.194 7.558 -1.154 1.00 42.22 H new ATOM 0 HH11 ARG A 95 -0.489 9.559 1.624 1.00 52.23 H new ATOM 0 HH12 ARG A 95 -0.475 11.049 0.675 1.00 52.23 H new ATOM 0 HH21 ARG A 95 0.193 9.422 -2.322 1.00 22.00 H new ATOM 0 HH22 ARG A 95 -0.095 10.973 -1.525 1.00 22.00 H new ATOM 949 N TYR A 96 1.450 1.846 1.835 1.00 64.33 N ATOM 950 CA TYR A 96 2.574 1.188 2.513 1.00 62.45 C ATOM 951 C TYR A 96 3.812 2.092 2.533 1.00 65.32 C ATOM 952 O TYR A 96 4.194 2.664 1.511 1.00 62.40 O ATOM 953 CB TYR A 96 2.907 -0.149 1.835 1.00 53.05 C ATOM 954 CG TYR A 96 1.933 -1.258 2.179 1.00 11.54 C ATOM 955 CD1 TYR A 96 0.660 -1.295 1.622 1.00 42.11 C ATOM 956 CD2 TYR A 96 2.283 -2.259 3.077 1.00 11.40 C ATOM 957 CE1 TYR A 96 -0.231 -2.299 1.949 1.00 53.23 C ATOM 958 CE2 TYR A 96 1.395 -3.263 3.409 1.00 24.12 C ATOM 959 CZ TYR A 96 0.141 -3.279 2.845 1.00 54.53 C ATOM 960 OH TYR A 96 -0.750 -4.272 3.187 1.00 31.22 O ATOM 0 H TYR A 96 1.371 1.622 0.843 1.00 64.33 H new ATOM 0 HA TYR A 96 2.274 0.995 3.543 1.00 62.45 H new ATOM 0 HB2 TYR A 96 2.917 -0.007 0.754 1.00 53.05 H new ATOM 0 HB3 TYR A 96 3.912 -0.455 2.126 1.00 53.05 H new ATOM 0 HD1 TYR A 96 0.363 -0.527 0.923 1.00 42.11 H new ATOM 0 HD2 TYR A 96 3.267 -2.252 3.523 1.00 11.40 H new ATOM 0 HE1 TYR A 96 -1.215 -2.316 1.505 1.00 53.23 H new ATOM 0 HE2 TYR A 96 1.684 -4.033 4.109 1.00 24.12 H new ATOM 0 HH TYR A 96 -1.540 -4.216 2.610 1.00 31.22 H new ATOM 970 N ILE A 97 4.429 2.215 3.706 1.00 43.23 N ATOM 971 CA ILE A 97 5.606 3.071 3.883 1.00 74.41 C ATOM 972 C ILE A 97 6.895 2.233 3.918 1.00 53.30 C ATOM 973 O ILE A 97 6.968 1.231 4.635 1.00 52.02 O ATOM 974 CB ILE A 97 5.506 3.883 5.203 1.00 45.12 C ATOM 975 CG1 ILE A 97 4.116 4.532 5.350 1.00 52.35 C ATOM 976 CG2 ILE A 97 6.608 4.943 5.267 1.00 52.23 C ATOM 977 CD1 ILE A 97 3.775 5.523 4.258 1.00 53.31 C ATOM 0 H ILE A 97 4.134 1.731 4.554 1.00 43.23 H new ATOM 0 HA ILE A 97 5.639 3.755 3.035 1.00 74.41 H new ATOM 0 HB ILE A 97 5.643 3.193 6.035 1.00 45.12 H new ATOM 0 HG12 ILE A 97 3.360 3.747 5.361 1.00 52.35 H new ATOM 0 HG13 ILE A 97 4.064 5.038 6.314 1.00 52.35 H new ATOM 0 HG21 ILE A 97 6.522 5.502 6.199 1.00 52.23 H new ATOM 0 HG22 ILE A 97 7.583 4.457 5.224 1.00 52.23 H new ATOM 0 HG23 ILE A 97 6.505 5.626 4.424 1.00 52.23 H new ATOM 0 HD11 ILE A 97 2.781 5.933 4.436 1.00 53.31 H new ATOM 0 HD12 ILE A 97 4.506 6.331 4.259 1.00 53.31 H new ATOM 0 HD13 ILE A 97 3.792 5.019 3.291 1.00 53.31 H new ATOM 989 N TYR A 98 7.911 2.635 3.152 1.00 34.34 N ATOM 990 CA TYR A 98 9.201 1.934 3.155 1.00 3.24 C ATOM 991 C TYR A 98 10.340 2.850 3.627 1.00 53.02 C ATOM 992 O TYR A 98 10.427 4.010 3.228 1.00 75.43 O ATOM 993 CB TYR A 98 9.538 1.395 1.756 1.00 51.14 C ATOM 994 CG TYR A 98 8.565 0.360 1.226 1.00 70.21 C ATOM 995 CD1 TYR A 98 7.364 0.735 0.632 1.00 31.52 C ATOM 996 CD2 TYR A 98 8.858 -0.997 1.307 1.00 44.20 C ATOM 997 CE1 TYR A 98 6.487 -0.211 0.140 1.00 70.22 C ATOM 998 CE2 TYR A 98 7.989 -1.947 0.812 1.00 31.04 C ATOM 999 CZ TYR A 98 6.805 -1.552 0.232 1.00 62.32 C ATOM 1000 OH TYR A 98 5.942 -2.495 -0.277 1.00 5.33 O ATOM 0 H TYR A 98 7.869 3.438 2.524 1.00 34.34 H new ATOM 0 HA TYR A 98 9.106 1.101 3.852 1.00 3.24 H new ATOM 0 HB2 TYR A 98 9.574 2.231 1.058 1.00 51.14 H new ATOM 0 HB3 TYR A 98 10.536 0.957 1.781 1.00 51.14 H new ATOM 0 HD1 TYR A 98 7.114 1.783 0.555 1.00 31.52 H new ATOM 0 HD2 TYR A 98 9.783 -1.313 1.766 1.00 44.20 H new ATOM 0 HE1 TYR A 98 5.557 0.096 -0.315 1.00 70.22 H new ATOM 0 HE2 TYR A 98 8.237 -2.996 0.879 1.00 31.04 H new ATOM 0 HH TYR A 98 5.833 -2.353 -1.241 1.00 5.33 H new ATOM 1010 N ASP A 99 11.205 2.321 4.483 1.00 75.42 N ATOM 1011 CA ASP A 99 12.417 3.025 4.893 1.00 70.42 C ATOM 1012 C ASP A 99 13.569 2.661 3.949 1.00 21.00 C ATOM 1013 O ASP A 99 13.811 1.483 3.684 1.00 34.41 O ATOM 1014 CB ASP A 99 12.783 2.650 6.334 1.00 42.11 C ATOM 1015 CG ASP A 99 13.894 3.520 6.900 1.00 72.32 C ATOM 1016 OD1 ASP A 99 13.599 4.645 7.360 1.00 3.34 O ATOM 1017 OD2 ASP A 99 15.062 3.088 6.885 1.00 35.30 O ATOM 0 H ASP A 99 11.090 1.402 4.910 1.00 75.42 H new ATOM 0 HA ASP A 99 12.239 4.099 4.845 1.00 70.42 H new ATOM 0 HB2 ASP A 99 11.899 2.740 6.965 1.00 42.11 H new ATOM 0 HB3 ASP A 99 13.092 1.605 6.366 1.00 42.11 H new ATOM 1022 N LYS A 100 14.271 3.661 3.434 1.00 33.23 N ATOM 1023 CA LYS A 100 15.352 3.405 2.483 1.00 14.02 C ATOM 1024 C LYS A 100 16.555 2.746 3.168 1.00 34.44 C ATOM 1025 O LYS A 100 17.210 3.346 4.021 1.00 35.40 O ATOM 1026 CB LYS A 100 15.775 4.702 1.790 1.00 2.52 C ATOM 1027 CG LYS A 100 16.672 4.473 0.581 1.00 72.55 C ATOM 1028 CD LYS A 100 17.038 5.780 -0.102 1.00 12.32 C ATOM 1029 CE LYS A 100 17.982 5.561 -1.274 1.00 32.32 C ATOM 1030 NZ LYS A 100 18.303 6.833 -1.966 1.00 3.22 N ATOM 0 H LYS A 100 14.117 4.645 3.653 1.00 33.23 H new ATOM 0 HA LYS A 100 14.976 2.712 1.730 1.00 14.02 H new ATOM 0 HB2 LYS A 100 14.884 5.245 1.475 1.00 2.52 H new ATOM 0 HB3 LYS A 100 16.298 5.335 2.507 1.00 2.52 H new ATOM 0 HG2 LYS A 100 17.581 3.959 0.894 1.00 72.55 H new ATOM 0 HG3 LYS A 100 16.165 3.820 -0.130 1.00 72.55 H new ATOM 0 HD2 LYS A 100 16.131 6.273 -0.453 1.00 12.32 H new ATOM 0 HD3 LYS A 100 17.505 6.449 0.621 1.00 12.32 H new ATOM 0 HE2 LYS A 100 18.902 5.098 -0.918 1.00 32.32 H new ATOM 0 HE3 LYS A 100 17.529 4.866 -1.981 1.00 32.32 H new ATOM 0 HZ1 LYS A 100 18.949 6.643 -2.759 1.00 3.22 H new ATOM 0 HZ2 LYS A 100 17.427 7.262 -2.327 1.00 3.22 H new ATOM 0 HZ3 LYS A 100 18.758 7.487 -1.297 1.00 3.22 H new ATOM 1044 N ILE A 101 16.844 1.509 2.777 1.00 33.24 N ATOM 1045 CA ILE A 101 17.907 0.724 3.405 1.00 20.03 C ATOM 1046 C ILE A 101 19.289 1.344 3.157 1.00 23.14 C ATOM 1047 O ILE A 101 19.732 1.468 2.010 1.00 75.00 O ATOM 1048 CB ILE A 101 17.909 -0.738 2.886 1.00 33.41 C ATOM 1049 CG1 ILE A 101 16.543 -1.393 3.121 1.00 42.14 C ATOM 1050 CG2 ILE A 101 19.013 -1.547 3.563 1.00 24.12 C ATOM 1051 CD1 ILE A 101 16.460 -2.823 2.633 1.00 12.12 C ATOM 0 H ILE A 101 16.355 1.024 2.024 1.00 33.24 H new ATOM 0 HA ILE A 101 17.704 0.726 4.476 1.00 20.03 H new ATOM 0 HB ILE A 101 18.104 -0.721 1.814 1.00 33.41 H new ATOM 0 HG12 ILE A 101 16.317 -1.369 4.187 1.00 42.14 H new ATOM 0 HG13 ILE A 101 15.776 -0.803 2.620 1.00 42.14 H new ATOM 0 HG21 ILE A 101 18.998 -2.570 3.186 1.00 24.12 H new ATOM 0 HG22 ILE A 101 19.981 -1.094 3.347 1.00 24.12 H new ATOM 0 HG23 ILE A 101 18.849 -1.555 4.641 1.00 24.12 H new ATOM 0 HD11 ILE A 101 15.464 -3.219 2.834 1.00 12.12 H new ATOM 0 HD12 ILE A 101 16.653 -2.853 1.561 1.00 12.12 H new ATOM 0 HD13 ILE A 101 17.203 -3.428 3.153 1.00 12.12 H new ATOM 1063 N ILE A 102 19.969 1.730 4.234 1.00 2.20 N ATOM 1064 CA ILE A 102 21.327 2.259 4.132 1.00 61.15 C ATOM 1065 C ILE A 102 22.305 1.142 3.760 1.00 24.35 C ATOM 1066 O ILE A 102 22.946 0.526 4.614 1.00 70.25 O ATOM 1067 CB ILE A 102 21.779 2.932 5.444 1.00 5.30 C ATOM 1068 CG1 ILE A 102 20.780 4.027 5.845 1.00 24.40 C ATOM 1069 CG2 ILE A 102 23.192 3.506 5.306 1.00 1.52 C ATOM 1070 CD1 ILE A 102 20.550 5.083 4.776 1.00 15.43 C ATOM 0 H ILE A 102 19.603 1.687 5.185 1.00 2.20 H new ATOM 0 HA ILE A 102 21.324 3.017 3.349 1.00 61.15 H new ATOM 0 HB ILE A 102 21.803 2.178 6.231 1.00 5.30 H new ATOM 0 HG12 ILE A 102 19.826 3.560 6.090 1.00 24.40 H new ATOM 0 HG13 ILE A 102 21.138 4.516 6.751 1.00 24.40 H new ATOM 0 HG21 ILE A 102 23.487 3.975 6.244 1.00 1.52 H new ATOM 0 HG22 ILE A 102 23.889 2.703 5.066 1.00 1.52 H new ATOM 0 HG23 ILE A 102 23.207 4.249 4.509 1.00 1.52 H new ATOM 0 HD11 ILE A 102 19.832 5.818 5.139 1.00 15.43 H new ATOM 0 HD12 ILE A 102 21.493 5.579 4.546 1.00 15.43 H new ATOM 0 HD13 ILE A 102 20.160 4.610 3.875 1.00 15.43 H new ATOM 1082 N ASP A 103 22.359 0.857 2.473 1.00 65.13 N ATOM 1083 CA ASP A 103 23.204 -0.212 1.939 1.00 31.32 C ATOM 1084 C ASP A 103 23.881 0.239 0.632 1.00 52.33 C ATOM 1085 O ASP A 103 24.584 -0.520 -0.034 1.00 54.32 O ATOM 1086 CB ASP A 103 22.327 -1.455 1.732 1.00 21.15 C ATOM 1087 CG ASP A 103 23.115 -2.707 1.390 1.00 43.20 C ATOM 1088 OD1 ASP A 103 23.825 -3.225 2.276 1.00 52.54 O ATOM 1089 OD2 ASP A 103 23.003 -3.197 0.247 1.00 22.02 O ATOM 0 H ASP A 103 21.822 1.355 1.763 1.00 65.13 H new ATOM 0 HA ASP A 103 24.005 -0.453 2.638 1.00 31.32 H new ATOM 0 HB2 ASP A 103 21.749 -1.636 2.638 1.00 21.15 H new ATOM 0 HB3 ASP A 103 21.613 -1.256 0.933 1.00 21.15 H new ATOM 1094 N VAL A 104 23.684 1.510 0.304 1.00 73.24 N ATOM 1095 CA VAL A 104 24.252 2.114 -0.909 1.00 14.13 C ATOM 1096 C VAL A 104 25.598 2.801 -0.627 1.00 33.14 C ATOM 1097 O VAL A 104 26.197 3.396 -1.520 1.00 22.41 O ATOM 1098 CB VAL A 104 23.276 3.146 -1.532 1.00 14.24 C ATOM 1099 CG1 VAL A 104 21.987 2.466 -1.983 1.00 34.33 C ATOM 1100 CG2 VAL A 104 22.974 4.278 -0.546 1.00 32.31 C ATOM 0 H VAL A 104 23.128 2.155 0.866 1.00 73.24 H new ATOM 0 HA VAL A 104 24.415 1.299 -1.615 1.00 14.13 H new ATOM 0 HB VAL A 104 23.758 3.580 -2.408 1.00 14.24 H new ATOM 0 HG11 VAL A 104 21.317 3.208 -2.417 1.00 34.33 H new ATOM 0 HG12 VAL A 104 22.218 1.706 -2.729 1.00 34.33 H new ATOM 0 HG13 VAL A 104 21.504 1.998 -1.126 1.00 34.33 H new ATOM 0 HG21 VAL A 104 22.288 4.988 -1.007 1.00 32.31 H new ATOM 0 HG22 VAL A 104 22.519 3.865 0.354 1.00 32.31 H new ATOM 0 HG23 VAL A 104 23.901 4.788 -0.282 1.00 32.31 H new ATOM 1110 N SER A 105 26.044 2.733 0.628 1.00 4.33 N ATOM 1111 CA SER A 105 27.340 3.304 1.059 1.00 22.54 C ATOM 1112 C SER A 105 27.362 4.846 1.042 1.00 14.24 C ATOM 1113 O SER A 105 28.270 5.460 1.599 1.00 63.30 O ATOM 1114 CB SER A 105 28.496 2.756 0.202 1.00 1.12 C ATOM 1115 OG SER A 105 28.574 1.337 0.280 1.00 44.21 O ATOM 0 H SER A 105 25.524 2.283 1.381 1.00 4.33 H new ATOM 0 HA SER A 105 27.473 2.992 2.095 1.00 22.54 H new ATOM 0 HB2 SER A 105 28.356 3.058 -0.836 1.00 1.12 H new ATOM 0 HB3 SER A 105 29.437 3.192 0.536 1.00 1.12 H new ATOM 0 HG SER A 105 29.316 1.019 -0.276 1.00 44.21 H new ATOM 1121 N TYR A 106 26.366 5.472 0.413 1.00 42.21 N ATOM 1122 CA TYR A 106 26.296 6.936 0.342 1.00 70.01 C ATOM 1123 C TYR A 106 25.840 7.557 1.675 1.00 54.03 C ATOM 1124 O TYR A 106 24.650 7.796 1.892 1.00 55.45 O ATOM 1125 CB TYR A 106 25.361 7.368 -0.799 1.00 22.10 C ATOM 1126 CG TYR A 106 25.930 7.108 -2.182 1.00 73.40 C ATOM 1127 CD1 TYR A 106 26.936 7.917 -2.702 1.00 64.24 C ATOM 1128 CD2 TYR A 106 25.469 6.055 -2.968 1.00 32.43 C ATOM 1129 CE1 TYR A 106 27.461 7.687 -3.959 1.00 51.54 C ATOM 1130 CE2 TYR A 106 25.992 5.819 -4.227 1.00 52.42 C ATOM 1131 CZ TYR A 106 26.987 6.637 -4.716 1.00 31.12 C ATOM 1132 OH TYR A 106 27.505 6.408 -5.973 1.00 33.14 O ATOM 0 H TYR A 106 25.597 4.991 -0.054 1.00 42.21 H new ATOM 0 HA TYR A 106 27.302 7.304 0.140 1.00 70.01 H new ATOM 0 HB2 TYR A 106 24.413 6.840 -0.700 1.00 22.10 H new ATOM 0 HB3 TYR A 106 25.145 8.432 -0.698 1.00 22.10 H new ATOM 0 HD1 TYR A 106 27.313 8.739 -2.112 1.00 64.24 H new ATOM 0 HD2 TYR A 106 24.689 5.411 -2.588 1.00 32.43 H new ATOM 0 HE1 TYR A 106 28.240 8.327 -4.347 1.00 51.54 H new ATOM 0 HE2 TYR A 106 25.622 4.998 -4.823 1.00 52.42 H new ATOM 0 HH TYR A 106 27.063 5.630 -6.372 1.00 33.14 H new ATOM 1142 N VAL A 107 26.801 7.789 2.569 1.00 62.44 N ATOM 1143 CA VAL A 107 26.547 8.443 3.862 1.00 2.13 C ATOM 1144 C VAL A 107 27.505 9.633 4.070 1.00 22.52 C ATOM 1145 O VAL A 107 28.155 10.085 3.127 1.00 43.22 O ATOM 1146 CB VAL A 107 26.701 7.440 5.039 1.00 54.20 C ATOM 1147 CG1 VAL A 107 25.641 6.342 4.959 1.00 71.22 C ATOM 1148 CG2 VAL A 107 28.107 6.841 5.061 1.00 4.12 C ATOM 0 H VAL A 107 27.777 7.531 2.422 1.00 62.44 H new ATOM 0 HA VAL A 107 25.520 8.809 3.847 1.00 2.13 H new ATOM 0 HB VAL A 107 26.552 7.985 5.971 1.00 54.20 H new ATOM 0 HG11 VAL A 107 25.768 5.652 5.793 1.00 71.22 H new ATOM 0 HG12 VAL A 107 24.649 6.790 5.007 1.00 71.22 H new ATOM 0 HG13 VAL A 107 25.749 5.800 4.020 1.00 71.22 H new ATOM 0 HG21 VAL A 107 28.192 6.142 5.893 1.00 4.12 H new ATOM 0 HG22 VAL A 107 28.293 6.315 4.125 1.00 4.12 H new ATOM 0 HG23 VAL A 107 28.840 7.638 5.181 1.00 4.12 H new ATOM 1158 N ASP A 108 27.575 10.148 5.299 1.00 65.41 N ATOM 1159 CA ASP A 108 28.480 11.256 5.619 1.00 51.13 C ATOM 1160 C ASP A 108 29.939 10.776 5.753 1.00 43.33 C ATOM 1161 O ASP A 108 30.199 9.599 6.010 1.00 20.10 O ATOM 1162 CB ASP A 108 28.029 11.951 6.906 1.00 62.14 C ATOM 1163 CG ASP A 108 28.977 13.061 7.319 1.00 75.14 C ATOM 1164 OD1 ASP A 108 29.091 14.057 6.581 1.00 2.31 O ATOM 1165 OD2 ASP A 108 29.631 12.928 8.369 1.00 23.21 O ATOM 0 H ASP A 108 27.018 9.818 6.087 1.00 65.41 H new ATOM 0 HA ASP A 108 28.440 11.968 4.795 1.00 51.13 H new ATOM 0 HB2 ASP A 108 27.030 12.363 6.764 1.00 62.14 H new ATOM 0 HB3 ASP A 108 27.960 11.217 7.709 1.00 62.14 H new ATOM 1170 N GLU A 109 30.884 11.703 5.593 1.00 72.21 N ATOM 1171 CA GLU A 109 32.317 11.369 5.600 1.00 61.24 C ATOM 1172 C GLU A 109 33.133 12.255 6.563 1.00 75.05 C ATOM 1173 O GLU A 109 34.361 12.155 6.603 1.00 51.24 O ATOM 1174 CB GLU A 109 32.886 11.523 4.182 1.00 51.30 C ATOM 1175 CG GLU A 109 32.708 12.925 3.608 1.00 75.14 C ATOM 1176 CD GLU A 109 33.491 13.146 2.323 1.00 63.22 C ATOM 1177 OE1 GLU A 109 32.973 12.818 1.233 1.00 34.44 O ATOM 1178 OE2 GLU A 109 34.631 13.660 2.396 1.00 61.30 O ATOM 0 H GLU A 109 30.687 12.694 5.456 1.00 72.21 H new ATOM 0 HA GLU A 109 32.402 10.339 5.947 1.00 61.24 H new ATOM 0 HB2 GLU A 109 33.948 11.276 4.195 1.00 51.30 H new ATOM 0 HB3 GLU A 109 32.400 10.804 3.523 1.00 51.30 H new ATOM 0 HG2 GLU A 109 31.650 13.101 3.417 1.00 75.14 H new ATOM 0 HG3 GLU A 109 33.024 13.658 4.350 1.00 75.14 H new ATOM 1185 N THR A 110 32.468 13.111 7.345 1.00 64.10 N ATOM 1186 CA THR A 110 33.185 14.113 8.160 1.00 14.51 C ATOM 1187 C THR A 110 32.540 14.373 9.535 1.00 21.50 C ATOM 1188 O THR A 110 33.203 14.243 10.570 1.00 10.12 O ATOM 1189 CB THR A 110 33.323 15.459 7.399 1.00 33.12 C ATOM 1190 OG1 THR A 110 33.852 16.476 8.267 1.00 71.02 O ATOM 1191 CG2 THR A 110 31.984 15.919 6.827 1.00 72.41 C ATOM 0 H THR A 110 31.452 13.136 7.435 1.00 64.10 H new ATOM 0 HA THR A 110 34.169 13.681 8.341 1.00 14.51 H new ATOM 0 HB THR A 110 34.012 15.296 6.570 1.00 33.12 H new ATOM 0 HG1 THR A 110 33.934 17.318 7.772 1.00 71.02 H new ATOM 0 HG21 THR A 110 32.118 16.864 6.301 1.00 72.41 H new ATOM 0 HG22 THR A 110 31.608 15.168 6.133 1.00 72.41 H new ATOM 0 HG23 THR A 110 31.269 16.054 7.638 1.00 72.41 H new ATOM 1199 N GLY A 111 31.258 14.742 9.558 1.00 42.15 N ATOM 1200 CA GLY A 111 30.614 15.116 10.815 1.00 65.10 C ATOM 1201 C GLY A 111 29.192 15.647 10.634 1.00 62.43 C ATOM 1202 O GLY A 111 28.878 16.772 11.035 1.00 44.12 O ATOM 0 H GLY A 111 30.656 14.789 8.736 1.00 42.15 H new ATOM 0 HA2 GLY A 111 30.589 14.248 11.474 1.00 65.10 H new ATOM 0 HA3 GLY A 111 31.217 15.876 11.312 1.00 65.10 H new ATOM 1206 N LYS A 112 28.335 14.835 10.034 1.00 72.25 N ATOM 1207 CA LYS A 112 26.920 15.179 9.841 1.00 74.32 C ATOM 1208 C LYS A 112 26.022 14.067 10.404 1.00 12.45 C ATOM 1209 O LYS A 112 25.326 14.254 11.402 1.00 72.34 O ATOM 1210 CB LYS A 112 26.634 15.385 8.346 1.00 41.55 C ATOM 1211 CG LYS A 112 25.188 15.734 8.019 1.00 14.53 C ATOM 1212 CD LYS A 112 24.777 17.081 8.606 1.00 20.31 C ATOM 1213 CE LYS A 112 23.417 17.518 8.083 1.00 41.13 C ATOM 1214 NZ LYS A 112 23.397 17.583 6.596 1.00 4.03 N ATOM 0 H LYS A 112 28.592 13.919 9.665 1.00 72.25 H new ATOM 0 HA LYS A 112 26.704 16.104 10.375 1.00 74.32 H new ATOM 0 HB2 LYS A 112 27.279 16.180 7.972 1.00 41.55 H new ATOM 0 HB3 LYS A 112 26.905 14.476 7.809 1.00 41.55 H new ATOM 0 HG2 LYS A 112 25.056 15.755 6.937 1.00 14.53 H new ATOM 0 HG3 LYS A 112 24.531 14.955 8.405 1.00 14.53 H new ATOM 0 HD2 LYS A 112 24.746 17.012 9.693 1.00 20.31 H new ATOM 0 HD3 LYS A 112 25.525 17.833 8.355 1.00 20.31 H new ATOM 0 HE2 LYS A 112 22.653 16.821 8.428 1.00 41.13 H new ATOM 0 HE3 LYS A 112 23.165 18.496 8.494 1.00 41.13 H new ATOM 0 HZ1 LYS A 112 22.873 18.429 6.292 1.00 4.03 H new ATOM 0 HZ2 LYS A 112 24.372 17.633 6.238 1.00 4.03 H new ATOM 0 HZ3 LYS A 112 22.932 16.733 6.218 1.00 4.03 H new ATOM 1228 N ASP A 113 26.047 12.913 9.746 1.00 65.22 N ATOM 1229 CA ASP A 113 25.342 11.727 10.227 1.00 23.21 C ATOM 1230 C ASP A 113 25.997 10.460 9.666 1.00 12.02 C ATOM 1231 O ASP A 113 25.717 10.034 8.544 1.00 14.41 O ATOM 1232 CB ASP A 113 23.851 11.770 9.857 1.00 20.32 C ATOM 1233 CG ASP A 113 23.077 10.621 10.486 1.00 64.52 C ATOM 1234 OD1 ASP A 113 23.259 10.375 11.700 1.00 5.32 O ATOM 1235 OD2 ASP A 113 22.281 9.964 9.781 1.00 61.32 O ATOM 0 H ASP A 113 26.552 12.772 8.871 1.00 65.22 H new ATOM 0 HA ASP A 113 25.412 11.712 11.315 1.00 23.21 H new ATOM 0 HB2 ASP A 113 23.423 12.718 10.184 1.00 20.32 H new ATOM 0 HB3 ASP A 113 23.745 11.729 8.773 1.00 20.32 H new ATOM 1240 N LEU A 114 26.903 9.883 10.446 1.00 61.31 N ATOM 1241 CA LEU A 114 27.613 8.668 10.052 1.00 42.40 C ATOM 1242 C LEU A 114 27.268 7.496 10.983 1.00 34.15 C ATOM 1243 O LEU A 114 26.954 7.693 12.162 1.00 2.31 O ATOM 1244 CB LEU A 114 29.131 8.930 10.010 1.00 34.52 C ATOM 1245 CG LEU A 114 29.728 9.703 11.206 1.00 64.43 C ATOM 1246 CD1 LEU A 114 29.867 8.819 12.444 1.00 31.24 C ATOM 1247 CD2 LEU A 114 31.072 10.314 10.820 1.00 44.31 C ATOM 0 H LEU A 114 27.167 10.240 11.364 1.00 61.31 H new ATOM 0 HA LEU A 114 27.289 8.386 9.050 1.00 42.40 H new ATOM 0 HB2 LEU A 114 29.641 7.970 9.935 1.00 34.52 H new ATOM 0 HB3 LEU A 114 29.357 9.483 9.099 1.00 34.52 H new ATOM 0 HG LEU A 114 29.036 10.505 11.463 1.00 64.43 H new ATOM 0 HD11 LEU A 114 30.291 9.402 13.262 1.00 31.24 H new ATOM 0 HD12 LEU A 114 28.886 8.445 12.736 1.00 31.24 H new ATOM 0 HD13 LEU A 114 30.524 7.979 12.219 1.00 31.24 H new ATOM 0 HD21 LEU A 114 31.483 10.856 11.671 1.00 44.31 H new ATOM 0 HD22 LEU A 114 31.761 9.522 10.527 1.00 44.31 H new ATOM 0 HD23 LEU A 114 30.933 11.001 9.985 1.00 44.31 H new ATOM 1259 N LEU A 115 27.307 6.281 10.448 1.00 4.31 N ATOM 1260 CA LEU A 115 26.985 5.088 11.230 1.00 22.12 C ATOM 1261 C LEU A 115 28.231 4.482 11.905 1.00 31.42 C ATOM 1262 O LEU A 115 29.365 4.834 11.567 1.00 71.31 O ATOM 1263 CB LEU A 115 26.261 4.057 10.354 1.00 53.01 C ATOM 1264 CG LEU A 115 26.854 3.767 8.967 1.00 71.44 C ATOM 1265 CD1 LEU A 115 28.247 3.139 9.047 1.00 31.23 C ATOM 1266 CD2 LEU A 115 25.902 2.858 8.212 1.00 43.23 C ATOM 0 H LEU A 115 27.558 6.094 9.477 1.00 4.31 H new ATOM 0 HA LEU A 115 26.314 5.388 12.035 1.00 22.12 H new ATOM 0 HB2 LEU A 115 26.218 3.118 10.905 1.00 53.01 H new ATOM 0 HB3 LEU A 115 25.233 4.394 10.217 1.00 53.01 H new ATOM 0 HG LEU A 115 26.973 4.713 8.439 1.00 71.44 H new ATOM 0 HD11 LEU A 115 28.621 2.954 8.040 1.00 31.23 H new ATOM 0 HD12 LEU A 115 28.923 3.818 9.566 1.00 31.23 H new ATOM 0 HD13 LEU A 115 28.191 2.197 9.592 1.00 31.23 H new ATOM 0 HD21 LEU A 115 26.310 2.643 7.224 1.00 43.23 H new ATOM 0 HD22 LEU A 115 25.775 1.926 8.763 1.00 43.23 H new ATOM 0 HD23 LEU A 115 24.936 3.351 8.106 1.00 43.23 H new ATOM 1278 N PRO A 116 28.033 3.579 12.887 1.00 74.54 N ATOM 1279 CA PRO A 116 29.139 2.886 13.574 1.00 72.13 C ATOM 1280 C PRO A 116 30.004 2.036 12.625 1.00 10.11 C ATOM 1281 O PRO A 116 29.529 1.055 12.047 1.00 12.34 O ATOM 1282 CB PRO A 116 28.421 1.979 14.592 1.00 31.02 C ATOM 1283 CG PRO A 116 27.060 2.565 14.749 1.00 42.14 C ATOM 1284 CD PRO A 116 26.720 3.176 13.425 1.00 42.44 C ATOM 0 HA PRO A 116 29.833 3.598 14.021 1.00 72.13 H new ATOM 0 HB2 PRO A 116 28.368 0.951 14.234 1.00 31.02 H new ATOM 0 HB3 PRO A 116 28.952 1.958 15.543 1.00 31.02 H new ATOM 0 HG2 PRO A 116 26.334 1.799 15.023 1.00 42.14 H new ATOM 0 HG3 PRO A 116 27.047 3.315 15.540 1.00 42.14 H new ATOM 0 HD2 PRO A 116 26.219 2.463 12.770 1.00 42.44 H new ATOM 0 HD3 PRO A 116 26.052 4.030 13.536 1.00 42.44 H new ATOM 1292 N VAL A 117 31.270 2.414 12.454 1.00 72.23 N ATOM 1293 CA VAL A 117 32.195 1.613 11.649 1.00 22.20 C ATOM 1294 C VAL A 117 32.664 0.374 12.428 1.00 45.00 C ATOM 1295 O VAL A 117 33.374 0.474 13.431 1.00 23.41 O ATOM 1296 CB VAL A 117 33.412 2.440 11.159 1.00 14.23 C ATOM 1297 CG1 VAL A 117 34.127 3.128 12.323 1.00 13.13 C ATOM 1298 CG2 VAL A 117 34.379 1.566 10.357 1.00 25.54 C ATOM 0 H VAL A 117 31.676 3.259 12.856 1.00 72.23 H new ATOM 0 HA VAL A 117 31.648 1.286 10.765 1.00 22.20 H new ATOM 0 HB VAL A 117 33.036 3.222 10.499 1.00 14.23 H new ATOM 0 HG11 VAL A 117 34.975 3.699 11.943 1.00 13.13 H new ATOM 0 HG12 VAL A 117 33.434 3.800 12.829 1.00 13.13 H new ATOM 0 HG13 VAL A 117 34.482 2.376 13.027 1.00 13.13 H new ATOM 0 HG21 VAL A 117 35.224 2.169 10.024 1.00 25.54 H new ATOM 0 HG22 VAL A 117 34.739 0.751 10.985 1.00 25.54 H new ATOM 0 HG23 VAL A 117 33.863 1.154 9.489 1.00 25.54 H new ATOM 1308 N VAL A 118 32.239 -0.792 11.960 1.00 70.13 N ATOM 1309 CA VAL A 118 32.516 -2.063 12.641 1.00 74.35 C ATOM 1310 C VAL A 118 33.547 -2.918 11.881 1.00 70.03 C ATOM 1311 O VAL A 118 34.168 -2.461 10.922 1.00 62.32 O ATOM 1312 CB VAL A 118 31.211 -2.879 12.827 1.00 40.13 C ATOM 1313 CG1 VAL A 118 30.216 -2.119 13.704 1.00 1.21 C ATOM 1314 CG2 VAL A 118 30.589 -3.227 11.474 1.00 23.34 C ATOM 0 H VAL A 118 31.695 -0.890 11.103 1.00 70.13 H new ATOM 0 HA VAL A 118 32.936 -1.812 13.615 1.00 74.35 H new ATOM 0 HB VAL A 118 31.464 -3.811 13.332 1.00 40.13 H new ATOM 0 HG11 VAL A 118 29.308 -2.711 13.821 1.00 1.21 H new ATOM 0 HG12 VAL A 118 30.659 -1.937 14.683 1.00 1.21 H new ATOM 0 HG13 VAL A 118 29.971 -1.167 13.234 1.00 1.21 H new ATOM 0 HG21 VAL A 118 29.675 -3.799 11.630 1.00 23.34 H new ATOM 0 HG22 VAL A 118 30.355 -2.309 10.934 1.00 23.34 H new ATOM 0 HG23 VAL A 118 31.294 -3.821 10.892 1.00 23.34 H new ATOM 1324 N GLU A 119 33.719 -4.162 12.325 1.00 62.20 N ATOM 1325 CA GLU A 119 34.670 -5.087 11.704 1.00 51.33 C ATOM 1326 C GLU A 119 34.218 -5.503 10.292 1.00 25.34 C ATOM 1327 O GLU A 119 33.264 -6.273 10.126 1.00 63.05 O ATOM 1328 CB GLU A 119 34.843 -6.323 12.593 1.00 42.21 C ATOM 1329 CG GLU A 119 35.829 -7.347 12.048 1.00 64.34 C ATOM 1330 CD GLU A 119 35.946 -8.558 12.951 1.00 1.13 C ATOM 1331 OE1 GLU A 119 36.664 -8.480 13.970 1.00 62.14 O ATOM 1332 OE2 GLU A 119 35.302 -9.589 12.662 1.00 20.52 O ATOM 0 H GLU A 119 33.210 -4.556 13.116 1.00 62.20 H new ATOM 0 HA GLU A 119 35.626 -4.574 11.604 1.00 51.33 H new ATOM 0 HB2 GLU A 119 35.176 -6.003 13.580 1.00 42.21 H new ATOM 0 HB3 GLU A 119 33.873 -6.802 12.723 1.00 42.21 H new ATOM 0 HG2 GLU A 119 35.510 -7.664 11.055 1.00 64.34 H new ATOM 0 HG3 GLU A 119 36.809 -6.883 11.935 1.00 64.34 H new ATOM 1339 N ILE A 120 34.903 -4.981 9.280 1.00 11.20 N ATOM 1340 CA ILE A 120 34.583 -5.270 7.877 1.00 15.32 C ATOM 1341 C ILE A 120 35.800 -5.847 7.135 1.00 73.15 C ATOM 1342 O ILE A 120 36.945 -5.584 7.508 1.00 10.15 O ATOM 1343 CB ILE A 120 34.102 -3.991 7.145 1.00 32.11 C ATOM 1344 CG1 ILE A 120 35.167 -2.881 7.241 1.00 73.33 C ATOM 1345 CG2 ILE A 120 32.766 -3.512 7.715 1.00 11.12 C ATOM 1346 CD1 ILE A 120 34.782 -1.593 6.541 1.00 63.24 C ATOM 0 H ILE A 120 35.693 -4.348 9.403 1.00 11.20 H new ATOM 0 HA ILE A 120 33.783 -6.010 7.876 1.00 15.32 H new ATOM 0 HB ILE A 120 33.954 -4.233 6.093 1.00 32.11 H new ATOM 0 HG12 ILE A 120 35.360 -2.667 8.292 1.00 73.33 H new ATOM 0 HG13 ILE A 120 36.100 -3.249 6.814 1.00 73.33 H new ATOM 0 HG21 ILE A 120 32.447 -2.613 7.187 1.00 11.12 H new ATOM 0 HG22 ILE A 120 32.016 -4.293 7.589 1.00 11.12 H new ATOM 0 HG23 ILE A 120 32.882 -3.288 8.775 1.00 11.12 H new ATOM 0 HD11 ILE A 120 35.584 -0.863 6.655 1.00 63.24 H new ATOM 0 HD12 ILE A 120 34.618 -1.790 5.481 1.00 63.24 H new ATOM 0 HD13 ILE A 120 33.867 -1.198 6.982 1.00 63.24 H new ATOM 1358 N ILE A 121 35.557 -6.632 6.087 1.00 42.14 N ATOM 1359 CA ILE A 121 36.654 -7.199 5.288 1.00 54.43 C ATOM 1360 C ILE A 121 37.296 -6.106 4.408 1.00 11.41 C ATOM 1361 O ILE A 121 36.958 -5.941 3.236 1.00 63.54 O ATOM 1362 CB ILE A 121 36.190 -8.409 4.417 1.00 41.24 C ATOM 1363 CG1 ILE A 121 35.799 -9.616 5.304 1.00 44.11 C ATOM 1364 CG2 ILE A 121 37.282 -8.827 3.428 1.00 10.10 C ATOM 1365 CD1 ILE A 121 34.586 -9.395 6.185 1.00 25.31 C ATOM 0 H ILE A 121 34.623 -6.891 5.770 1.00 42.14 H new ATOM 0 HA ILE A 121 37.401 -7.579 5.985 1.00 54.43 H new ATOM 0 HB ILE A 121 35.313 -8.087 3.855 1.00 41.24 H new ATOM 0 HG12 ILE A 121 35.610 -10.475 4.660 1.00 44.11 H new ATOM 0 HG13 ILE A 121 36.648 -9.873 5.938 1.00 44.11 H new ATOM 0 HG21 ILE A 121 36.932 -9.672 2.835 1.00 10.10 H new ATOM 0 HG22 ILE A 121 37.514 -7.991 2.768 1.00 10.10 H new ATOM 0 HG23 ILE A 121 38.178 -9.116 3.977 1.00 10.10 H new ATOM 0 HD11 ILE A 121 34.391 -10.295 6.768 1.00 25.31 H new ATOM 0 HD12 ILE A 121 34.773 -8.559 6.859 1.00 25.31 H new ATOM 0 HD13 ILE A 121 33.720 -9.171 5.562 1.00 25.31 H new ATOM 1377 N ASN A 122 38.183 -5.330 5.031 1.00 3.50 N ATOM 1378 CA ASN A 122 38.919 -4.237 4.377 1.00 42.04 C ATOM 1379 C ASN A 122 40.027 -3.717 5.307 1.00 51.11 C ATOM 1380 O ASN A 122 40.267 -4.285 6.376 1.00 20.50 O ATOM 1381 CB ASN A 122 37.972 -3.082 3.982 1.00 54.52 C ATOM 1382 CG ASN A 122 37.481 -3.182 2.544 1.00 52.34 C ATOM 1383 OD1 ASN A 122 38.182 -3.674 1.668 1.00 23.10 O ATOM 1384 ND2 ASN A 122 36.279 -2.710 2.285 1.00 2.43 N ATOM 0 H ASN A 122 38.417 -5.441 6.018 1.00 3.50 H new ATOM 0 HA ASN A 122 39.369 -4.631 3.466 1.00 42.04 H new ATOM 0 HB2 ASN A 122 37.114 -3.077 4.654 1.00 54.52 H new ATOM 0 HB3 ASN A 122 38.489 -2.132 4.119 1.00 54.52 H new ATOM 0 HD21 ASN A 122 35.910 -2.749 1.335 1.00 2.43 H new ATOM 0 HD22 ASN A 122 35.717 -2.306 3.034 1.00 2.43 H new ATOM 1391 N SER A 123 40.705 -2.643 4.905 1.00 43.22 N ATOM 1392 CA SER A 123 41.797 -2.076 5.713 1.00 72.41 C ATOM 1393 C SER A 123 41.781 -0.542 5.706 1.00 71.33 C ATOM 1394 O SER A 123 41.112 0.079 4.873 1.00 61.15 O ATOM 1395 CB SER A 123 43.156 -2.578 5.203 1.00 33.44 C ATOM 1396 OG SER A 123 43.425 -2.109 3.889 1.00 61.12 O ATOM 0 H SER A 123 40.524 -2.147 4.032 1.00 43.22 H new ATOM 0 HA SER A 123 41.643 -2.410 6.739 1.00 72.41 H new ATOM 0 HB2 SER A 123 43.945 -2.245 5.878 1.00 33.44 H new ATOM 0 HB3 SER A 123 43.169 -3.668 5.211 1.00 33.44 H new ATOM 0 HG SER A 123 44.297 -2.444 3.594 1.00 61.12 H new ATOM 1402 N GLU A 124 42.515 0.064 6.650 1.00 33.12 N ATOM 1403 CA GLU A 124 42.617 1.530 6.759 1.00 4.21 C ATOM 1404 C GLU A 124 41.232 2.164 7.006 1.00 22.41 C ATOM 1405 O GLU A 124 41.006 3.340 6.718 1.00 33.31 O ATOM 1406 CB GLU A 124 43.268 2.098 5.480 1.00 53.44 C ATOM 1407 CG GLU A 124 43.694 3.560 5.579 1.00 24.52 C ATOM 1408 CD GLU A 124 44.352 4.064 4.302 1.00 44.14 C ATOM 1409 OE1 GLU A 124 43.631 4.542 3.401 1.00 14.34 O ATOM 1410 OE2 GLU A 124 45.596 3.974 4.191 1.00 31.24 O ATOM 0 H GLU A 124 43.051 -0.441 7.355 1.00 33.12 H new ATOM 0 HA GLU A 124 43.245 1.779 7.615 1.00 4.21 H new ATOM 0 HB2 GLU A 124 44.142 1.495 5.234 1.00 53.44 H new ATOM 0 HB3 GLU A 124 42.565 1.993 4.653 1.00 53.44 H new ATOM 0 HG2 GLU A 124 42.822 4.175 5.801 1.00 24.52 H new ATOM 0 HG3 GLU A 124 44.387 3.677 6.412 1.00 24.52 H new ATOM 1417 N ALA A 125 40.311 1.363 7.556 1.00 41.13 N ATOM 1418 CA ALA A 125 38.920 1.782 7.788 1.00 33.41 C ATOM 1419 C ALA A 125 38.193 2.118 6.473 1.00 60.53 C ATOM 1420 O ALA A 125 37.081 2.649 6.486 1.00 24.44 O ATOM 1421 CB ALA A 125 38.868 2.963 8.759 1.00 52.23 C ATOM 0 H ALA A 125 40.507 0.407 7.853 1.00 41.13 H new ATOM 0 HA ALA A 125 38.395 0.939 8.238 1.00 33.41 H new ATOM 0 HB1 ALA A 125 37.831 3.258 8.918 1.00 52.23 H new ATOM 0 HB2 ALA A 125 39.312 2.671 9.711 1.00 52.23 H new ATOM 0 HB3 ALA A 125 39.424 3.802 8.341 1.00 52.23 H new ATOM 1427 N ALA A 126 38.830 1.794 5.341 1.00 2.34 N ATOM 1428 CA ALA A 126 38.265 2.047 4.007 1.00 2.54 C ATOM 1429 C ALA A 126 37.959 3.538 3.769 1.00 4.34 C ATOM 1430 O ALA A 126 37.075 3.883 2.980 1.00 1.40 O ATOM 1431 CB ALA A 126 37.014 1.194 3.800 1.00 30.05 C ATOM 0 H ALA A 126 39.748 1.351 5.322 1.00 2.34 H new ATOM 0 HA ALA A 126 39.019 1.764 3.272 1.00 2.54 H new ATOM 0 HB1 ALA A 126 36.602 1.387 2.810 1.00 30.05 H new ATOM 0 HB2 ALA A 126 37.275 0.139 3.885 1.00 30.05 H new ATOM 0 HB3 ALA A 126 36.272 1.446 4.558 1.00 30.05 H new ATOM 1437 N VAL A 127 38.728 4.418 4.416 1.00 31.42 N ATOM 1438 CA VAL A 127 38.528 5.872 4.297 1.00 74.50 C ATOM 1439 C VAL A 127 38.745 6.388 2.857 1.00 12.41 C ATOM 1440 O VAL A 127 39.355 5.714 2.020 1.00 54.21 O ATOM 1441 CB VAL A 127 39.449 6.649 5.270 1.00 15.44 C ATOM 1442 CG1 VAL A 127 39.062 6.362 6.719 1.00 24.35 C ATOM 1443 CG2 VAL A 127 40.917 6.304 5.025 1.00 2.23 C ATOM 0 H VAL A 127 39.498 4.152 5.030 1.00 31.42 H new ATOM 0 HA VAL A 127 37.487 6.053 4.564 1.00 74.50 H new ATOM 0 HB VAL A 127 39.318 7.715 5.083 1.00 15.44 H new ATOM 0 HG11 VAL A 127 39.720 6.917 7.388 1.00 24.35 H new ATOM 0 HG12 VAL A 127 38.030 6.670 6.888 1.00 24.35 H new ATOM 0 HG13 VAL A 127 39.159 5.295 6.917 1.00 24.35 H new ATOM 0 HG21 VAL A 127 41.543 6.863 5.721 1.00 2.23 H new ATOM 0 HG22 VAL A 127 41.070 5.235 5.177 1.00 2.23 H new ATOM 0 HG23 VAL A 127 41.187 6.567 4.002 1.00 2.23 H new ATOM 1453 N LEU A 128 38.252 7.599 2.587 1.00 32.12 N ATOM 1454 CA LEU A 128 38.247 8.171 1.231 1.00 61.32 C ATOM 1455 C LEU A 128 39.230 9.348 1.095 1.00 53.31 C ATOM 1456 O LEU A 128 38.983 10.286 0.328 1.00 41.25 O ATOM 1457 CB LEU A 128 36.828 8.654 0.896 1.00 1.14 C ATOM 1458 CG LEU A 128 35.722 7.600 1.044 1.00 15.14 C ATOM 1459 CD1 LEU A 128 34.350 8.232 0.829 1.00 42.41 C ATOM 1460 CD2 LEU A 128 35.941 6.439 0.075 1.00 52.22 C ATOM 0 H LEU A 128 37.846 8.211 3.295 1.00 32.12 H new ATOM 0 HA LEU A 128 38.565 7.392 0.538 1.00 61.32 H new ATOM 0 HB2 LEU A 128 36.589 9.500 1.540 1.00 1.14 H new ATOM 0 HB3 LEU A 128 36.821 9.022 -0.130 1.00 1.14 H new ATOM 0 HG LEU A 128 35.763 7.203 2.058 1.00 15.14 H new ATOM 0 HD11 LEU A 128 33.578 7.471 0.938 1.00 42.41 H new ATOM 0 HD12 LEU A 128 34.191 9.018 1.568 1.00 42.41 H new ATOM 0 HD13 LEU A 128 34.299 8.660 -0.172 1.00 42.41 H new ATOM 0 HD21 LEU A 128 35.144 5.706 0.200 1.00 52.22 H new ATOM 0 HD22 LEU A 128 35.933 6.813 -0.949 1.00 52.22 H new ATOM 0 HD23 LEU A 128 36.902 5.969 0.282 1.00 52.22 H new ATOM 1472 N GLU A 129 40.351 9.281 1.812 1.00 32.14 N ATOM 1473 CA GLU A 129 41.335 10.376 1.830 1.00 75.51 C ATOM 1474 C GLU A 129 41.919 10.671 0.430 1.00 12.52 C ATOM 1475 O GLU A 129 42.973 10.156 0.051 1.00 21.23 O ATOM 1476 CB GLU A 129 42.469 10.070 2.823 1.00 65.42 C ATOM 1477 CG GLU A 129 42.008 9.911 4.273 1.00 60.04 C ATOM 1478 CD GLU A 129 43.166 9.690 5.240 1.00 75.51 C ATOM 1479 OE1 GLU A 129 43.831 10.682 5.616 1.00 71.21 O ATOM 1480 OE2 GLU A 129 43.423 8.531 5.626 1.00 3.22 O ATOM 0 H GLU A 129 40.606 8.481 2.391 1.00 32.14 H new ATOM 0 HA GLU A 129 40.803 11.271 2.154 1.00 75.51 H new ATOM 0 HB2 GLU A 129 42.972 9.155 2.511 1.00 65.42 H new ATOM 0 HB3 GLU A 129 43.206 10.872 2.774 1.00 65.42 H new ATOM 0 HG2 GLU A 129 41.455 10.801 4.573 1.00 60.04 H new ATOM 0 HG3 GLU A 129 41.319 9.069 4.340 1.00 60.04 H new ATOM 1487 N HIS A 130 41.198 11.486 -0.338 1.00 63.11 N ATOM 1488 CA HIS A 130 41.647 11.963 -1.655 1.00 0.43 C ATOM 1489 C HIS A 130 41.283 13.445 -1.834 1.00 62.12 C ATOM 1490 O HIS A 130 40.202 13.867 -1.415 1.00 54.14 O ATOM 1491 CB HIS A 130 40.989 11.162 -2.792 1.00 20.01 C ATOM 1492 CG HIS A 130 41.310 9.699 -2.804 1.00 74.22 C ATOM 1493 ND1 HIS A 130 42.490 9.191 -3.299 1.00 61.22 N ATOM 1494 CD2 HIS A 130 40.579 8.626 -2.415 1.00 33.13 C ATOM 1495 CE1 HIS A 130 42.472 7.876 -3.216 1.00 23.24 C ATOM 1496 NE2 HIS A 130 41.324 7.509 -2.684 1.00 31.44 N ATOM 0 H HIS A 130 40.280 11.839 -0.067 1.00 63.11 H new ATOM 0 HA HIS A 130 42.728 11.830 -1.699 1.00 0.43 H new ATOM 0 HB2 HIS A 130 39.908 11.281 -2.721 1.00 20.01 H new ATOM 0 HB3 HIS A 130 41.295 11.594 -3.745 1.00 20.01 H new ATOM 0 HD2 HIS A 130 39.593 8.648 -1.975 1.00 33.13 H new ATOM 0 HE1 HIS A 130 43.264 7.212 -3.531 1.00 23.24 H new ATOM 0 HE2 HIS A 130 41.036 6.548 -2.502 1.00 31.44 H new ATOM 1505 N HIS A 131 42.179 14.217 -2.463 1.00 53.42 N ATOM 1506 CA HIS A 131 41.932 15.641 -2.760 1.00 32.03 C ATOM 1507 C HIS A 131 41.884 16.485 -1.466 1.00 33.24 C ATOM 1508 O HIS A 131 41.200 16.133 -0.505 1.00 55.22 O ATOM 1509 CB HIS A 131 40.626 15.789 -3.567 1.00 21.52 C ATOM 1510 CG HIS A 131 40.669 16.851 -4.624 1.00 15.35 C ATOM 1511 ND1 HIS A 131 41.363 16.913 -5.786 1.00 50.32 N flip ATOM 1512 CD2 HIS A 131 39.915 18.000 -4.573 1.00 41.45 C flip ATOM 1513 CE1 HIS A 131 41.016 18.089 -6.403 1.00 61.04 C flip ATOM 1514 NE2 HIS A 131 40.142 18.722 -5.651 1.00 62.24 N flip ATOM 0 H HIS A 131 43.088 13.880 -2.779 1.00 53.42 H new ATOM 0 HA HIS A 131 42.760 16.018 -3.361 1.00 32.03 H new ATOM 0 HB2 HIS A 131 40.394 14.834 -4.038 1.00 21.52 H new ATOM 0 HB3 HIS A 131 39.811 16.011 -2.878 1.00 21.52 H new ATOM 0 HD2 HIS A 131 39.241 18.269 -3.773 1.00 41.45 H new ATOM 0 HE1 HIS A 131 41.398 18.438 -7.351 1.00 61.04 H new ATOM 0 HE2 HIS A 131 39.712 19.621 -5.867 1.00 62.24 H new ATOM 1523 N HIS A 132 42.608 17.608 -1.441 1.00 54.02 N ATOM 1524 CA HIS A 132 42.747 18.397 -0.204 1.00 33.32 C ATOM 1525 C HIS A 132 42.783 19.920 -0.455 1.00 4.42 C ATOM 1526 O HIS A 132 42.205 20.688 0.314 1.00 2.24 O ATOM 1527 CB HIS A 132 44.023 17.960 0.529 1.00 62.40 C ATOM 1528 CG HIS A 132 44.200 18.592 1.877 1.00 11.43 C ATOM 1529 ND1 HIS A 132 43.663 18.063 3.028 1.00 32.45 N ATOM 1530 CD2 HIS A 132 44.865 19.708 2.259 1.00 52.11 C ATOM 1531 CE1 HIS A 132 43.982 18.823 4.052 1.00 12.22 C ATOM 1532 NE2 HIS A 132 44.712 19.827 3.616 1.00 4.01 N ATOM 0 H HIS A 132 43.102 17.990 -2.248 1.00 54.02 H new ATOM 0 HA HIS A 132 41.864 18.204 0.405 1.00 33.32 H new ATOM 0 HB2 HIS A 132 44.009 16.876 0.646 1.00 62.40 H new ATOM 0 HB3 HIS A 132 44.886 18.202 -0.091 1.00 62.40 H new ATOM 0 HD2 HIS A 132 45.414 20.379 1.615 1.00 52.11 H new ATOM 0 HE1 HIS A 132 43.693 18.652 5.079 1.00 12.22 H new ATOM 0 HE2 HIS A 132 45.101 20.572 4.194 1.00 4.01 H new ATOM 1541 N HIS A 133 43.468 20.342 -1.524 1.00 20.33 N ATOM 1542 CA HIS A 133 43.703 21.774 -1.819 1.00 12.03 C ATOM 1543 C HIS A 133 44.704 22.414 -0.835 1.00 71.12 C ATOM 1544 O HIS A 133 44.780 22.035 0.331 1.00 2.21 O ATOM 1545 CB HIS A 133 42.398 22.590 -1.811 1.00 10.43 C ATOM 1546 CG HIS A 133 41.430 22.233 -2.895 1.00 13.52 C ATOM 1547 ND1 HIS A 133 41.400 22.869 -4.116 1.00 2.13 N ATOM 1548 CD2 HIS A 133 40.428 21.326 -2.926 1.00 10.44 C ATOM 1549 CE1 HIS A 133 40.424 22.375 -4.846 1.00 71.14 C ATOM 1550 NE2 HIS A 133 39.817 21.435 -4.149 1.00 64.54 N ATOM 0 H HIS A 133 43.877 19.709 -2.211 1.00 20.33 H new ATOM 0 HA HIS A 133 44.129 21.800 -2.822 1.00 12.03 H new ATOM 0 HB2 HIS A 133 41.908 22.456 -0.847 1.00 10.43 H new ATOM 0 HB3 HIS A 133 42.646 23.648 -1.898 1.00 10.43 H new ATOM 0 HD2 HIS A 133 40.159 20.642 -2.134 1.00 10.44 H new ATOM 0 HE1 HIS A 133 40.164 22.687 -5.847 1.00 71.14 H new ATOM 0 HE2 HIS A 133 39.023 20.880 -4.467 1.00 64.54 H new ATOM 1559 N HIS A 134 45.468 23.390 -1.328 1.00 44.44 N ATOM 1560 CA HIS A 134 46.411 24.151 -0.496 1.00 4.42 C ATOM 1561 C HIS A 134 46.950 25.374 -1.258 1.00 71.20 C ATOM 1562 O HIS A 134 47.338 25.273 -2.424 1.00 21.13 O ATOM 1563 CB HIS A 134 47.571 23.261 -0.015 1.00 34.01 C ATOM 1564 CG HIS A 134 48.349 22.607 -1.119 1.00 60.24 C ATOM 1565 ND1 HIS A 134 49.465 23.172 -1.691 1.00 15.30 N ATOM 1566 CD2 HIS A 134 48.176 21.417 -1.744 1.00 22.11 C ATOM 1567 CE1 HIS A 134 49.946 22.366 -2.614 1.00 32.22 C ATOM 1568 NE2 HIS A 134 49.186 21.292 -2.667 1.00 60.40 N ATOM 0 H HIS A 134 45.454 23.676 -2.307 1.00 44.44 H new ATOM 0 HA HIS A 134 45.869 24.504 0.381 1.00 4.42 H new ATOM 0 HB2 HIS A 134 48.252 23.865 0.585 1.00 34.01 H new ATOM 0 HB3 HIS A 134 47.171 22.487 0.640 1.00 34.01 H new ATOM 0 HD2 HIS A 134 47.391 20.701 -1.552 1.00 22.11 H new ATOM 0 HE1 HIS A 134 50.817 22.554 -3.225 1.00 32.22 H new ATOM 0 HE2 HIS A 134 49.324 20.497 -3.291 1.00 60.40 H new ATOM 1577 N HIS A 135 46.962 26.529 -0.596 1.00 71.22 N ATOM 1578 CA HIS A 135 47.395 27.787 -1.229 1.00 75.50 C ATOM 1579 C HIS A 135 48.913 28.018 -1.075 1.00 14.42 C ATOM 1580 O HIS A 135 49.356 28.392 0.035 1.00 38.14 O ATOM 1581 CB HIS A 135 46.606 28.968 -0.645 1.00 15.12 C ATOM 1582 CG HIS A 135 47.021 30.305 -1.187 1.00 64.20 C ATOM 1583 ND1 HIS A 135 46.864 30.663 -2.507 1.00 70.34 N ATOM 1584 CD2 HIS A 135 47.605 31.368 -0.582 1.00 55.43 C ATOM 1585 CE1 HIS A 135 47.324 31.884 -2.691 1.00 42.14 C ATOM 1586 NE2 HIS A 135 47.779 32.335 -1.541 1.00 2.21 N ATOM 1587 OXT HIS A 135 49.652 27.836 -2.067 1.00 38.14 O ATOM 0 H HIS A 135 46.678 26.627 0.379 1.00 71.22 H new ATOM 0 HA HIS A 135 47.188 27.711 -2.297 1.00 75.50 H new ATOM 0 HB2 HIS A 135 45.545 28.819 -0.847 1.00 15.12 H new ATOM 0 HB3 HIS A 135 46.727 28.973 0.438 1.00 15.12 H new ATOM 0 HD2 HIS A 135 47.882 31.441 0.459 1.00 55.43 H new ATOM 0 HE1 HIS A 135 47.327 32.423 -3.627 1.00 42.14 H new ATOM 0 HE2 HIS A 135 48.194 33.254 -1.387 1.00 2.21 H new TER 1596 HIS A 135