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 66 SER OG : rot -74:sc= 1.89 USER MOD Set 1.2: A 96 TYR OH : rot 27:sc= 1.11 USER MOD Set 2.1: A 62 TYR OH : rot 165:sc= 0.13 USER MOD Set 2.2: A 86 ASN : amide:sc= 0.425 K(o=0.55,f=-5.7!) USER MOD Set 3.1: A 37 ASN : amide:sc= -1.2 K(o=-1.2,f=-2!) USER MOD Set 3.2: A 90 THR OG1 : rot 140:sc= 0.0464 USER MOD Single : A 34 MET CE :methyl -161:sc= -0.146 (180deg=-0.662) USER MOD Single : A 36 THR OG1 : rot 46:sc= 0.549 USER MOD Single : A 38 ASN : amide:sc=-0.00611 K(o=-0.0061,f=-1.1) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= -0.158 (180deg=-0.639) USER MOD Single : A 45 TYR OH : rot 159:sc= 0.00311 USER MOD Single : A 56 SER OG : rot 180:sc= -0.656 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -20:sc= 0.38 USER MOD Single : A 63 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.0054) 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= 1.92 (180deg=1.91) 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=-0.00674 X(o=-0.0067,f=-0.067) USER MOD Single : A 82 ASN : amide:sc= -1.19! C(o=-1.2!,f=-9.1!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 100:sc= 0 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= 0.0642 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.0539 X(o=-0.054,f=-0.028) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.17) USER MOD Single : A 131 HIS : no HE2:sc= 0.216 K(o=0.22,f=-2.6!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc=-0.00882 X(o=-0.0088,f=-0.38) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 -27.774 2.759 -11.527 1.00 41.12 N ATOM 2 CA MET A 34 -26.320 3.083 -11.514 1.00 1.34 C ATOM 3 C MET A 34 -25.622 2.447 -10.298 1.00 15.12 C ATOM 4 O MET A 34 -24.914 1.451 -10.439 1.00 54.43 O ATOM 5 CB MET A 34 -26.116 4.607 -11.517 1.00 53.12 C ATOM 6 CG MET A 34 -24.652 5.038 -11.539 1.00 74.32 C ATOM 7 SD MET A 34 -24.448 6.835 -11.533 1.00 62.30 S ATOM 8 CE MET A 34 -25.257 7.278 -13.067 1.00 71.01 C ATOM 0 HA MET A 34 -25.869 2.666 -12.415 1.00 1.34 H new ATOM 0 HB2 MET A 34 -26.621 5.029 -12.386 1.00 53.12 H new ATOM 0 HB3 MET A 34 -26.595 5.029 -10.633 1.00 53.12 H new ATOM 0 HG2 MET A 34 -24.141 4.616 -10.673 1.00 74.32 H new ATOM 0 HG3 MET A 34 -24.170 4.626 -12.425 1.00 74.32 H new ATOM 0 HE1 MET A 34 -24.933 8.272 -13.375 1.00 71.01 H new ATOM 0 HE2 MET A 34 -24.994 6.555 -13.839 1.00 71.01 H new ATOM 0 HE3 MET A 34 -26.337 7.277 -12.922 1.00 71.01 H new ATOM 20 N ASP A 35 -25.831 3.032 -9.112 1.00 23.41 N ATOM 21 CA ASP A 35 -25.297 2.498 -7.841 1.00 44.12 C ATOM 22 C ASP A 35 -23.766 2.285 -7.851 1.00 14.43 C ATOM 23 O ASP A 35 -23.010 3.100 -7.321 1.00 50.34 O ATOM 24 CB ASP A 35 -26.001 1.182 -7.483 1.00 44.13 C ATOM 25 CG ASP A 35 -27.505 1.343 -7.389 1.00 3.54 C ATOM 26 OD1 ASP A 35 -28.008 1.653 -6.291 1.00 55.20 O ATOM 27 OD2 ASP A 35 -28.193 1.162 -8.415 1.00 74.20 O ATOM 0 H ASP A 35 -26.374 3.888 -9.000 1.00 23.41 H new ATOM 0 HA ASP A 35 -25.501 3.256 -7.085 1.00 44.12 H new ATOM 0 HB2 ASP A 35 -25.764 0.429 -8.235 1.00 44.13 H new ATOM 0 HB3 ASP A 35 -25.617 0.814 -6.532 1.00 44.13 H new ATOM 32 N THR A 36 -23.322 1.183 -8.461 1.00 71.45 N ATOM 33 CA THR A 36 -21.909 0.778 -8.430 1.00 65.42 C ATOM 34 C THR A 36 -20.973 1.843 -9.027 1.00 31.32 C ATOM 35 O THR A 36 -20.842 1.977 -10.245 1.00 10.33 O ATOM 36 CB THR A 36 -21.689 -0.564 -9.171 1.00 52.13 C ATOM 37 OG1 THR A 36 -22.145 -0.462 -10.529 1.00 32.20 O ATOM 38 CG2 THR A 36 -22.422 -1.708 -8.475 1.00 72.04 C ATOM 0 H THR A 36 -23.924 0.549 -8.987 1.00 71.45 H new ATOM 0 HA THR A 36 -21.659 0.658 -7.376 1.00 65.42 H new ATOM 0 HB THR A 36 -20.620 -0.778 -9.158 1.00 52.13 H new ATOM 0 HG1 THR A 36 -21.824 0.377 -10.920 1.00 32.20 H new ATOM 0 HG21 THR A 36 -22.248 -2.636 -9.019 1.00 72.04 H new ATOM 0 HG22 THR A 36 -22.051 -1.810 -7.455 1.00 72.04 H new ATOM 0 HG23 THR A 36 -23.491 -1.495 -8.453 1.00 72.04 H new ATOM 46 N ASN A 37 -20.312 2.590 -8.146 1.00 63.33 N ATOM 47 CA ASN A 37 -19.345 3.626 -8.543 1.00 21.25 C ATOM 48 C ASN A 37 -17.960 3.015 -8.837 1.00 41.43 C ATOM 49 O ASN A 37 -16.943 3.713 -8.824 1.00 22.30 O ATOM 50 CB ASN A 37 -19.232 4.655 -7.403 1.00 63.23 C ATOM 51 CG ASN A 37 -18.403 5.880 -7.763 1.00 61.01 C ATOM 52 OD1 ASN A 37 -17.709 6.438 -6.923 1.00 50.01 O ATOM 53 ND2 ASN A 37 -18.472 6.316 -9.009 1.00 23.30 N ATOM 0 H ASN A 37 -20.427 2.499 -7.137 1.00 63.33 H new ATOM 0 HA ASN A 37 -19.695 4.107 -9.456 1.00 21.25 H new ATOM 0 HB2 ASN A 37 -20.233 4.977 -7.115 1.00 63.23 H new ATOM 0 HB3 ASN A 37 -18.790 4.172 -6.532 1.00 63.23 H new ATOM 0 HD21 ASN A 37 -17.938 7.138 -9.292 1.00 23.30 H new ATOM 0 HD22 ASN A 37 -19.059 5.831 -9.687 1.00 23.30 H new ATOM 60 N ASN A 38 -17.934 1.713 -9.123 1.00 10.44 N ATOM 61 CA ASN A 38 -16.686 0.953 -9.230 1.00 63.20 C ATOM 62 C ASN A 38 -15.872 1.085 -7.931 1.00 22.11 C ATOM 63 O ASN A 38 -14.785 1.670 -7.904 1.00 24.43 O ATOM 64 CB ASN A 38 -15.857 1.384 -10.451 1.00 74.41 C ATOM 65 CG ASN A 38 -14.687 0.449 -10.709 1.00 54.23 C ATOM 66 OD1 ASN A 38 -14.740 -0.737 -10.391 1.00 43.21 O ATOM 67 ND2 ASN A 38 -13.623 0.964 -11.288 1.00 2.43 N ATOM 0 H ASN A 38 -18.773 1.156 -9.287 1.00 10.44 H new ATOM 0 HA ASN A 38 -16.943 -0.096 -9.376 1.00 63.20 H new ATOM 0 HB2 ASN A 38 -16.498 1.412 -11.332 1.00 74.41 H new ATOM 0 HB3 ASN A 38 -15.484 2.396 -10.296 1.00 74.41 H new ATOM 0 HD21 ASN A 38 -12.814 0.375 -11.484 1.00 2.43 H new ATOM 0 HD22 ASN A 38 -13.608 1.952 -11.541 1.00 2.43 H new ATOM 74 N PHE A 39 -16.450 0.573 -6.847 1.00 62.41 N ATOM 75 CA PHE A 39 -15.804 0.580 -5.530 1.00 70.12 C ATOM 76 C PHE A 39 -14.475 -0.202 -5.549 1.00 21.45 C ATOM 77 O PHE A 39 -14.465 -1.435 -5.569 1.00 12.15 O ATOM 78 CB PHE A 39 -16.755 -0.012 -4.479 1.00 31.22 C ATOM 79 CG PHE A 39 -17.993 0.817 -4.239 1.00 40.21 C ATOM 80 CD1 PHE A 39 -19.068 0.758 -5.112 1.00 43.24 C ATOM 81 CD2 PHE A 39 -18.081 1.653 -3.136 1.00 72.53 C ATOM 82 CE1 PHE A 39 -20.204 1.515 -4.891 1.00 71.32 C ATOM 83 CE2 PHE A 39 -19.212 2.413 -2.910 1.00 15.41 C ATOM 84 CZ PHE A 39 -20.274 2.344 -3.789 1.00 53.22 C ATOM 0 H PHE A 39 -17.375 0.143 -6.853 1.00 62.41 H new ATOM 0 HA PHE A 39 -15.576 1.614 -5.270 1.00 70.12 H new ATOM 0 HB2 PHE A 39 -17.054 -1.011 -4.796 1.00 31.22 H new ATOM 0 HB3 PHE A 39 -16.216 -0.124 -3.538 1.00 31.22 H new ATOM 0 HD1 PHE A 39 -19.018 0.112 -5.976 1.00 43.24 H new ATOM 0 HD2 PHE A 39 -17.254 1.711 -2.444 1.00 72.53 H new ATOM 0 HE1 PHE A 39 -21.035 1.458 -5.579 1.00 71.32 H new ATOM 0 HE2 PHE A 39 -19.265 3.060 -2.047 1.00 15.41 H new ATOM 0 HZ PHE A 39 -21.159 2.938 -3.615 1.00 53.22 H new ATOM 94 N THR A 40 -13.358 0.527 -5.559 1.00 3.01 N ATOM 95 CA THR A 40 -12.018 -0.079 -5.589 1.00 14.13 C ATOM 96 C THR A 40 -11.112 0.525 -4.512 1.00 35.23 C ATOM 97 O THR A 40 -11.389 1.604 -3.980 1.00 54.34 O ATOM 98 CB THR A 40 -11.327 0.123 -6.962 1.00 41.21 C ATOM 99 OG1 THR A 40 -11.115 1.525 -7.211 1.00 32.12 O ATOM 100 CG2 THR A 40 -12.152 -0.475 -8.096 1.00 62.24 C ATOM 0 H THR A 40 -13.352 1.547 -5.547 1.00 3.01 H new ATOM 0 HA THR A 40 -12.162 -1.144 -5.405 1.00 14.13 H new ATOM 0 HB THR A 40 -10.367 -0.393 -6.926 1.00 41.21 H new ATOM 0 HG1 THR A 40 -10.677 1.640 -8.080 1.00 32.12 H new ATOM 0 HG21 THR A 40 -11.638 -0.315 -9.044 1.00 62.24 H new ATOM 0 HG22 THR A 40 -12.280 -1.544 -7.928 1.00 62.24 H new ATOM 0 HG23 THR A 40 -13.129 0.006 -8.128 1.00 62.24 H new ATOM 108 N VAL A 41 -10.024 -0.174 -4.198 1.00 43.23 N ATOM 109 CA VAL A 41 -9.050 0.314 -3.218 1.00 40.41 C ATOM 110 C VAL A 41 -7.652 0.466 -3.836 1.00 1.45 C ATOM 111 O VAL A 41 -6.962 -0.517 -4.111 1.00 34.51 O ATOM 112 CB VAL A 41 -8.974 -0.617 -1.984 1.00 11.32 C ATOM 113 CG1 VAL A 41 -7.894 -0.148 -1.010 1.00 70.22 C ATOM 114 CG2 VAL A 41 -10.334 -0.693 -1.292 1.00 72.12 C ATOM 0 H VAL A 41 -9.792 -1.080 -4.606 1.00 43.23 H new ATOM 0 HA VAL A 41 -9.396 1.296 -2.896 1.00 40.41 H new ATOM 0 HB VAL A 41 -8.703 -1.616 -2.325 1.00 11.32 H new ATOM 0 HG11 VAL A 41 -7.862 -0.819 -0.152 1.00 70.22 H new ATOM 0 HG12 VAL A 41 -6.926 -0.152 -1.511 1.00 70.22 H new ATOM 0 HG13 VAL A 41 -8.123 0.862 -0.672 1.00 70.22 H new ATOM 0 HG21 VAL A 41 -10.265 -1.351 -0.426 1.00 72.12 H new ATOM 0 HG22 VAL A 41 -10.633 0.304 -0.967 1.00 72.12 H new ATOM 0 HG23 VAL A 41 -11.075 -1.086 -1.988 1.00 72.12 H new ATOM 124 N LYS A 42 -7.254 1.708 -4.060 1.00 11.21 N ATOM 125 CA LYS A 42 -5.917 2.026 -4.560 1.00 34.34 C ATOM 126 C LYS A 42 -4.862 1.838 -3.464 1.00 24.43 C ATOM 127 O LYS A 42 -4.958 2.406 -2.386 1.00 73.44 O ATOM 128 CB LYS A 42 -5.906 3.474 -5.081 1.00 72.54 C ATOM 129 CG LYS A 42 -4.518 4.091 -5.273 1.00 51.14 C ATOM 130 CD LYS A 42 -3.625 3.266 -6.194 1.00 43.23 C ATOM 131 CE LYS A 42 -2.751 4.141 -7.087 1.00 32.11 C ATOM 132 NZ LYS A 42 -3.565 4.995 -7.992 1.00 13.54 N ATOM 0 H LYS A 42 -7.843 2.525 -3.902 1.00 11.21 H new ATOM 0 HA LYS A 42 -5.669 1.345 -5.374 1.00 34.34 H new ATOM 0 HB2 LYS A 42 -6.433 3.503 -6.034 1.00 72.54 H new ATOM 0 HB3 LYS A 42 -6.469 4.097 -4.386 1.00 72.54 H new ATOM 0 HG2 LYS A 42 -4.626 5.095 -5.683 1.00 51.14 H new ATOM 0 HG3 LYS A 42 -4.034 4.194 -4.302 1.00 51.14 H new ATOM 0 HD2 LYS A 42 -2.990 2.615 -5.593 1.00 43.23 H new ATOM 0 HD3 LYS A 42 -4.245 2.621 -6.816 1.00 43.23 H new ATOM 0 HE2 LYS A 42 -2.115 4.772 -6.466 1.00 32.11 H new ATOM 0 HE3 LYS A 42 -2.091 3.509 -7.681 1.00 32.11 H new ATOM 0 HZ1 LYS A 42 -3.031 5.184 -8.864 1.00 13.54 H new ATOM 0 HZ2 LYS A 42 -4.451 4.505 -8.228 1.00 13.54 H new ATOM 0 HZ3 LYS A 42 -3.783 5.894 -7.518 1.00 13.54 H new ATOM 146 N VAL A 43 -3.855 1.039 -3.756 1.00 61.23 N ATOM 147 CA VAL A 43 -2.757 0.804 -2.825 1.00 51.00 C ATOM 148 C VAL A 43 -1.469 1.444 -3.351 1.00 2.22 C ATOM 149 O VAL A 43 -0.910 1.008 -4.361 1.00 52.35 O ATOM 150 CB VAL A 43 -2.521 -0.708 -2.590 1.00 41.32 C ATOM 151 CG1 VAL A 43 -1.455 -0.926 -1.517 1.00 20.32 C ATOM 152 CG2 VAL A 43 -3.828 -1.406 -2.212 1.00 22.51 C ATOM 0 H VAL A 43 -3.770 0.535 -4.639 1.00 61.23 H new ATOM 0 HA VAL A 43 -3.033 1.260 -1.874 1.00 51.00 H new ATOM 0 HB VAL A 43 -2.160 -1.148 -3.520 1.00 41.32 H new ATOM 0 HG11 VAL A 43 -1.304 -1.995 -1.366 1.00 20.32 H new ATOM 0 HG12 VAL A 43 -0.519 -0.468 -1.836 1.00 20.32 H new ATOM 0 HG13 VAL A 43 -1.781 -0.471 -0.582 1.00 20.32 H new ATOM 0 HG21 VAL A 43 -3.640 -2.468 -2.051 1.00 22.51 H new ATOM 0 HG22 VAL A 43 -4.225 -0.965 -1.297 1.00 22.51 H new ATOM 0 HG23 VAL A 43 -4.552 -1.284 -3.018 1.00 22.51 H new ATOM 162 N GLU A 44 -1.008 2.478 -2.658 1.00 14.13 N ATOM 163 CA GLU A 44 0.211 3.197 -3.037 1.00 33.21 C ATOM 164 C GLU A 44 1.382 2.821 -2.119 1.00 54.04 C ATOM 165 O GLU A 44 1.216 2.642 -0.910 1.00 73.23 O ATOM 166 CB GLU A 44 -0.028 4.715 -2.987 1.00 41.54 C ATOM 167 CG GLU A 44 -1.219 5.181 -3.823 1.00 11.44 C ATOM 168 CD GLU A 44 -1.378 6.697 -3.859 1.00 4.30 C ATOM 169 OE1 GLU A 44 -1.284 7.338 -2.793 1.00 22.04 O ATOM 170 OE2 GLU A 44 -1.602 7.249 -4.955 1.00 60.44 O ATOM 0 H GLU A 44 -1.463 2.843 -1.821 1.00 14.13 H new ATOM 0 HA GLU A 44 0.468 2.909 -4.056 1.00 33.21 H new ATOM 0 HB2 GLU A 44 -0.184 5.015 -1.951 1.00 41.54 H new ATOM 0 HB3 GLU A 44 0.870 5.226 -3.335 1.00 41.54 H new ATOM 0 HG2 GLU A 44 -1.105 4.811 -4.842 1.00 11.44 H new ATOM 0 HG3 GLU A 44 -2.130 4.737 -3.423 1.00 11.44 H new ATOM 177 N TYR A 45 2.570 2.708 -2.700 1.00 21.24 N ATOM 178 CA TYR A 45 3.758 2.287 -1.956 1.00 51.11 C ATOM 179 C TYR A 45 4.784 3.418 -1.907 1.00 53.50 C ATOM 180 O TYR A 45 5.507 3.666 -2.873 1.00 40.34 O ATOM 181 CB TYR A 45 4.346 1.022 -2.591 1.00 12.20 C ATOM 182 CG TYR A 45 3.365 -0.137 -2.601 1.00 10.31 C ATOM 183 CD1 TYR A 45 2.421 -0.265 -3.616 1.00 14.53 C ATOM 184 CD2 TYR A 45 3.370 -1.092 -1.589 1.00 34.31 C ATOM 185 CE1 TYR A 45 1.514 -1.305 -3.620 1.00 31.42 C ATOM 186 CE2 TYR A 45 2.467 -2.137 -1.589 1.00 22.10 C ATOM 187 CZ TYR A 45 1.541 -2.238 -2.606 1.00 10.31 C ATOM 188 OH TYR A 45 0.641 -3.279 -2.611 1.00 33.24 O ATOM 0 H TYR A 45 2.740 2.902 -3.687 1.00 21.24 H new ATOM 0 HA TYR A 45 3.477 2.053 -0.929 1.00 51.11 H new ATOM 0 HB2 TYR A 45 4.653 1.242 -3.613 1.00 12.20 H new ATOM 0 HB3 TYR A 45 5.243 0.729 -2.045 1.00 12.20 H new ATOM 0 HD1 TYR A 45 2.398 0.462 -4.414 1.00 14.53 H new ATOM 0 HD2 TYR A 45 4.092 -1.015 -0.790 1.00 34.31 H new ATOM 0 HE1 TYR A 45 0.786 -1.387 -4.414 1.00 31.42 H new ATOM 0 HE2 TYR A 45 2.486 -2.871 -0.797 1.00 22.10 H new ATOM 0 HH TYR A 45 0.983 -4.010 -2.055 1.00 33.24 H new ATOM 198 N VAL A 46 4.843 4.099 -0.770 1.00 45.51 N ATOM 199 CA VAL A 46 5.604 5.341 -0.648 1.00 54.22 C ATOM 200 C VAL A 46 6.705 5.237 0.415 1.00 31.44 C ATOM 201 O VAL A 46 6.701 4.329 1.246 1.00 2.22 O ATOM 202 CB VAL A 46 4.660 6.530 -0.313 1.00 35.42 C ATOM 203 CG1 VAL A 46 3.582 6.703 -1.392 1.00 73.33 C ATOM 204 CG2 VAL A 46 4.020 6.348 1.059 1.00 4.43 C ATOM 0 H VAL A 46 4.371 3.812 0.087 1.00 45.51 H new ATOM 0 HA VAL A 46 6.083 5.519 -1.611 1.00 54.22 H new ATOM 0 HB VAL A 46 5.265 7.436 -0.291 1.00 35.42 H new ATOM 0 HG11 VAL A 46 2.937 7.542 -1.131 1.00 73.33 H new ATOM 0 HG12 VAL A 46 4.057 6.897 -2.354 1.00 73.33 H new ATOM 0 HG13 VAL A 46 2.985 5.793 -1.459 1.00 73.33 H new ATOM 0 HG21 VAL A 46 3.364 7.193 1.270 1.00 4.43 H new ATOM 0 HG22 VAL A 46 3.439 5.426 1.070 1.00 4.43 H new ATOM 0 HG23 VAL A 46 4.799 6.295 1.820 1.00 4.43 H new ATOM 214 N ASP A 47 7.657 6.160 0.373 1.00 21.30 N ATOM 215 CA ASP A 47 8.753 6.175 1.338 1.00 22.35 C ATOM 216 C ASP A 47 8.345 6.909 2.629 1.00 33.14 C ATOM 217 O ASP A 47 7.173 7.242 2.827 1.00 2.14 O ATOM 218 CB ASP A 47 10.007 6.812 0.714 1.00 71.22 C ATOM 219 CG ASP A 47 9.869 8.300 0.415 1.00 31.20 C ATOM 220 OD1 ASP A 47 8.760 8.852 0.537 1.00 15.10 O ATOM 221 OD2 ASP A 47 10.894 8.930 0.082 1.00 15.43 O ATOM 0 H ASP A 47 7.694 6.909 -0.318 1.00 21.30 H new ATOM 0 HA ASP A 47 8.988 5.145 1.605 1.00 22.35 H new ATOM 0 HB2 ASP A 47 10.850 6.665 1.390 1.00 71.22 H new ATOM 0 HB3 ASP A 47 10.245 6.287 -0.211 1.00 71.22 H new ATOM 226 N ALA A 48 9.312 7.166 3.503 1.00 63.25 N ATOM 227 CA ALA A 48 9.041 7.827 4.782 1.00 22.11 C ATOM 228 C ALA A 48 8.545 9.278 4.620 1.00 14.53 C ATOM 229 O ALA A 48 8.031 9.869 5.572 1.00 40.54 O ATOM 230 CB ALA A 48 10.284 7.791 5.658 1.00 11.13 C ATOM 0 H ALA A 48 10.292 6.928 3.352 1.00 63.25 H new ATOM 0 HA ALA A 48 8.233 7.273 5.260 1.00 22.11 H new ATOM 0 HB1 ALA A 48 10.075 8.284 6.607 1.00 11.13 H new ATOM 0 HB2 ALA A 48 10.569 6.755 5.843 1.00 11.13 H new ATOM 0 HB3 ALA A 48 11.100 8.308 5.153 1.00 11.13 H new ATOM 236 N ASP A 49 8.686 9.843 3.421 1.00 31.55 N ATOM 237 CA ASP A 49 8.268 11.228 3.160 1.00 51.21 C ATOM 238 C ASP A 49 6.979 11.294 2.321 1.00 63.50 C ATOM 239 O ASP A 49 6.554 12.375 1.892 1.00 75.00 O ATOM 240 CB ASP A 49 9.404 11.989 2.470 1.00 71.54 C ATOM 241 CG ASP A 49 10.593 12.186 3.396 1.00 12.21 C ATOM 242 OD1 ASP A 49 11.451 11.282 3.483 1.00 65.21 O ATOM 243 OD2 ASP A 49 10.667 13.244 4.055 1.00 62.25 O ATOM 0 H ASP A 49 9.086 9.366 2.613 1.00 31.55 H new ATOM 0 HA ASP A 49 8.047 11.699 4.118 1.00 51.21 H new ATOM 0 HB2 ASP A 49 9.721 11.442 1.582 1.00 71.54 H new ATOM 0 HB3 ASP A 49 9.040 12.960 2.134 1.00 71.54 H new ATOM 248 N GLY A 50 6.355 10.140 2.095 1.00 24.11 N ATOM 249 CA GLY A 50 5.077 10.094 1.390 1.00 11.12 C ATOM 250 C GLY A 50 5.210 10.103 -0.130 1.00 12.44 C ATOM 251 O GLY A 50 4.235 10.345 -0.845 1.00 53.25 O ATOM 0 H GLY A 50 6.711 9.230 2.388 1.00 24.11 H new ATOM 0 HA2 GLY A 50 4.538 9.196 1.693 1.00 11.12 H new ATOM 0 HA3 GLY A 50 4.473 10.947 1.697 1.00 11.12 H new ATOM 255 N ALA A 51 6.410 9.833 -0.622 1.00 30.22 N ATOM 256 CA ALA A 51 6.662 9.769 -2.066 1.00 74.12 C ATOM 257 C ALA A 51 6.731 8.315 -2.543 1.00 31.32 C ATOM 258 O ALA A 51 7.583 7.546 -2.092 1.00 44.04 O ATOM 259 CB ALA A 51 7.952 10.503 -2.407 1.00 12.41 C ATOM 0 H ALA A 51 7.232 9.653 -0.045 1.00 30.22 H new ATOM 0 HA ALA A 51 5.834 10.256 -2.582 1.00 74.12 H new ATOM 0 HB1 ALA A 51 8.128 10.449 -3.481 1.00 12.41 H new ATOM 0 HB2 ALA A 51 7.867 11.547 -2.106 1.00 12.41 H new ATOM 0 HB3 ALA A 51 8.785 10.039 -1.879 1.00 12.41 H new ATOM 265 N GLU A 52 5.828 7.933 -3.445 1.00 65.35 N ATOM 266 CA GLU A 52 5.763 6.546 -3.915 1.00 14.12 C ATOM 267 C GLU A 52 7.053 6.133 -4.626 1.00 14.14 C ATOM 268 O GLU A 52 7.350 6.556 -5.744 1.00 70.40 O ATOM 269 CB GLU A 52 4.539 6.317 -4.815 1.00 73.34 C ATOM 270 CG GLU A 52 4.554 7.161 -6.064 1.00 43.20 C ATOM 271 CD GLU A 52 3.333 6.969 -6.945 1.00 71.42 C ATOM 272 OE1 GLU A 52 2.279 7.573 -6.659 1.00 4.05 O ATOM 273 OE2 GLU A 52 3.429 6.229 -7.945 1.00 64.03 O ATOM 0 H GLU A 52 5.137 8.556 -3.863 1.00 65.35 H new ATOM 0 HA GLU A 52 5.653 5.911 -3.036 1.00 14.12 H new ATOM 0 HB2 GLU A 52 4.494 5.265 -5.096 1.00 73.34 H new ATOM 0 HB3 GLU A 52 3.634 6.534 -4.248 1.00 73.34 H new ATOM 0 HG2 GLU A 52 4.626 8.211 -5.781 1.00 43.20 H new ATOM 0 HG3 GLU A 52 5.448 6.925 -6.641 1.00 43.20 H new ATOM 280 N ILE A 53 7.832 5.312 -3.949 1.00 62.53 N ATOM 281 CA ILE A 53 9.072 4.789 -4.504 1.00 14.01 C ATOM 282 C ILE A 53 8.840 3.422 -5.163 1.00 41.03 C ATOM 283 O ILE A 53 9.776 2.641 -5.352 1.00 34.40 O ATOM 284 CB ILE A 53 10.177 4.707 -3.411 1.00 64.42 C ATOM 285 CG1 ILE A 53 9.623 4.135 -2.085 1.00 23.14 C ATOM 286 CG2 ILE A 53 10.794 6.089 -3.178 1.00 3.05 C ATOM 287 CD1 ILE A 53 9.451 2.631 -2.059 1.00 35.23 C ATOM 0 H ILE A 53 7.628 4.988 -3.004 1.00 62.53 H new ATOM 0 HA ILE A 53 9.417 5.477 -5.275 1.00 14.01 H new ATOM 0 HB ILE A 53 10.950 4.027 -3.768 1.00 64.42 H new ATOM 0 HG12 ILE A 53 10.293 4.423 -1.275 1.00 23.14 H new ATOM 0 HG13 ILE A 53 8.658 4.599 -1.881 1.00 23.14 H new ATOM 0 HG21 ILE A 53 11.566 6.018 -2.411 1.00 3.05 H new ATOM 0 HG22 ILE A 53 11.237 6.451 -4.106 1.00 3.05 H new ATOM 0 HG23 ILE A 53 10.020 6.783 -2.851 1.00 3.05 H new ATOM 0 HD11 ILE A 53 9.058 2.326 -1.089 1.00 35.23 H new ATOM 0 HD12 ILE A 53 8.756 2.331 -2.843 1.00 35.23 H new ATOM 0 HD13 ILE A 53 10.415 2.152 -2.227 1.00 35.23 H new ATOM 299 N ALA A 54 7.586 3.163 -5.541 1.00 4.30 N ATOM 300 CA ALA A 54 7.206 1.886 -6.157 1.00 24.34 C ATOM 301 C ALA A 54 5.868 1.994 -6.908 1.00 73.01 C ATOM 302 O ALA A 54 5.006 2.795 -6.537 1.00 3.14 O ATOM 303 CB ALA A 54 7.116 0.798 -5.094 1.00 64.55 C ATOM 0 H ALA A 54 6.814 3.821 -5.432 1.00 4.30 H new ATOM 0 HA ALA A 54 7.978 1.626 -6.881 1.00 24.34 H new ATOM 0 HB1 ALA A 54 6.833 -0.145 -5.562 1.00 64.55 H new ATOM 0 HB2 ALA A 54 8.084 0.685 -4.606 1.00 64.55 H new ATOM 0 HB3 ALA A 54 6.366 1.074 -4.353 1.00 64.55 H new ATOM 309 N PRO A 55 5.681 1.194 -7.979 1.00 53.43 N ATOM 310 CA PRO A 55 4.415 1.160 -8.733 1.00 70.52 C ATOM 311 C PRO A 55 3.206 0.814 -7.855 1.00 43.22 C ATOM 312 O PRO A 55 3.179 -0.220 -7.176 1.00 54.11 O ATOM 313 CB PRO A 55 4.646 0.074 -9.785 1.00 53.44 C ATOM 314 CG PRO A 55 6.125 0.008 -9.931 1.00 52.02 C ATOM 315 CD PRO A 55 6.685 0.285 -8.561 1.00 3.14 C ATOM 0 HA PRO A 55 4.178 2.136 -9.157 1.00 70.52 H new ATOM 0 HB2 PRO A 55 4.235 -0.883 -9.464 1.00 53.44 H new ATOM 0 HB3 PRO A 55 4.164 0.327 -10.730 1.00 53.44 H new ATOM 0 HG2 PRO A 55 6.439 -0.972 -10.291 1.00 52.02 H new ATOM 0 HG3 PRO A 55 6.480 0.742 -10.654 1.00 52.02 H new ATOM 0 HD2 PRO A 55 6.793 -0.628 -7.975 1.00 3.14 H new ATOM 0 HD3 PRO A 55 7.670 0.749 -8.612 1.00 3.14 H new ATOM 323 N SER A 56 2.209 1.681 -7.901 1.00 62.10 N ATOM 324 CA SER A 56 1.019 1.567 -7.055 1.00 4.22 C ATOM 325 C SER A 56 -0.105 0.775 -7.741 1.00 64.43 C ATOM 326 O SER A 56 -0.360 0.938 -8.936 1.00 1.13 O ATOM 327 CB SER A 56 0.519 2.966 -6.691 1.00 43.11 C ATOM 328 OG SER A 56 1.491 3.685 -5.945 1.00 24.32 O ATOM 0 H SER A 56 2.196 2.488 -8.525 1.00 62.10 H new ATOM 0 HA SER A 56 1.300 1.021 -6.155 1.00 4.22 H new ATOM 0 HB2 SER A 56 0.276 3.516 -7.600 1.00 43.11 H new ATOM 0 HB3 SER A 56 -0.401 2.886 -6.112 1.00 43.11 H new ATOM 0 HG SER A 56 1.144 4.576 -5.728 1.00 24.32 H new ATOM 334 N ASP A 57 -0.790 -0.064 -6.969 1.00 60.41 N ATOM 335 CA ASP A 57 -1.835 -0.956 -7.497 1.00 72.43 C ATOM 336 C ASP A 57 -3.252 -0.472 -7.162 1.00 31.34 C ATOM 337 O ASP A 57 -3.442 0.397 -6.325 1.00 5.31 O ATOM 338 CB ASP A 57 -1.648 -2.362 -6.933 1.00 31.21 C ATOM 339 CG ASP A 57 -0.398 -3.042 -7.471 1.00 1.11 C ATOM 340 OD1 ASP A 57 -0.426 -3.512 -8.626 1.00 60.12 O ATOM 341 OD2 ASP A 57 0.615 -3.109 -6.743 1.00 5.12 O ATOM 0 H ASP A 57 -0.642 -0.150 -5.963 1.00 60.41 H new ATOM 0 HA ASP A 57 -1.731 -0.956 -8.582 1.00 72.43 H new ATOM 0 HB2 ASP A 57 -1.590 -2.310 -5.846 1.00 31.21 H new ATOM 0 HB3 ASP A 57 -2.521 -2.967 -7.177 1.00 31.21 H new ATOM 346 N THR A 58 -4.245 -1.054 -7.830 1.00 24.32 N ATOM 347 CA THR A 58 -5.656 -0.777 -7.526 1.00 40.13 C ATOM 348 C THR A 58 -6.436 -2.083 -7.321 1.00 61.33 C ATOM 349 O THR A 58 -6.741 -2.793 -8.279 1.00 1.35 O ATOM 350 CB THR A 58 -6.330 0.053 -8.650 1.00 74.22 C ATOM 351 OG1 THR A 58 -5.662 1.316 -8.796 1.00 71.12 O ATOM 352 CG2 THR A 58 -7.810 0.294 -8.351 1.00 13.12 C ATOM 0 H THR A 58 -4.103 -1.722 -8.587 1.00 24.32 H new ATOM 0 HA THR A 58 -5.676 -0.195 -6.605 1.00 40.13 H new ATOM 0 HB THR A 58 -6.253 -0.515 -9.577 1.00 74.22 H new ATOM 0 HG1 THR A 58 -6.092 1.833 -9.509 1.00 71.12 H new ATOM 0 HG21 THR A 58 -8.254 0.878 -9.157 1.00 13.12 H new ATOM 0 HG22 THR A 58 -8.325 -0.663 -8.270 1.00 13.12 H new ATOM 0 HG23 THR A 58 -7.907 0.839 -7.412 1.00 13.12 H new ATOM 360 N LEU A 59 -6.743 -2.405 -6.063 1.00 41.41 N ATOM 361 CA LEU A 59 -7.456 -3.645 -5.727 1.00 44.54 C ATOM 362 C LEU A 59 -8.944 -3.572 -6.109 1.00 23.53 C ATOM 363 O LEU A 59 -9.640 -2.615 -5.770 1.00 42.14 O ATOM 364 CB LEU A 59 -7.317 -3.951 -4.228 1.00 32.33 C ATOM 365 CG LEU A 59 -5.884 -4.224 -3.746 1.00 14.23 C ATOM 366 CD1 LEU A 59 -5.861 -4.461 -2.240 1.00 73.01 C ATOM 367 CD2 LEU A 59 -5.271 -5.411 -4.487 1.00 32.21 C ATOM 0 H LEU A 59 -6.510 -1.825 -5.257 1.00 41.41 H new ATOM 0 HA LEU A 59 -7.001 -4.449 -6.306 1.00 44.54 H new ATOM 0 HB2 LEU A 59 -7.719 -3.110 -3.663 1.00 32.33 H new ATOM 0 HB3 LEU A 59 -7.934 -4.818 -3.992 1.00 32.33 H new ATOM 0 HG LEU A 59 -5.281 -3.343 -3.967 1.00 14.23 H new ATOM 0 HD11 LEU A 59 -4.838 -4.653 -1.917 1.00 73.01 H new ATOM 0 HD12 LEU A 59 -6.244 -3.579 -1.727 1.00 73.01 H new ATOM 0 HD13 LEU A 59 -6.485 -5.321 -1.997 1.00 73.01 H new ATOM 0 HD21 LEU A 59 -4.257 -5.581 -4.126 1.00 32.21 H new ATOM 0 HD22 LEU A 59 -5.874 -6.302 -4.309 1.00 32.21 H new ATOM 0 HD23 LEU A 59 -5.244 -5.198 -5.556 1.00 32.21 H new ATOM 379 N THR A 60 -9.416 -4.594 -6.822 1.00 43.14 N ATOM 380 CA THR A 60 -10.833 -4.682 -7.224 1.00 43.31 C ATOM 381 C THR A 60 -11.610 -5.698 -6.367 1.00 10.33 C ATOM 382 O THR A 60 -12.844 -5.735 -6.387 1.00 43.01 O ATOM 383 CB THR A 60 -10.972 -5.070 -8.717 1.00 62.24 C ATOM 384 OG1 THR A 60 -12.361 -5.152 -9.084 1.00 31.53 O ATOM 385 CG2 THR A 60 -10.284 -6.403 -9.008 1.00 24.44 C ATOM 0 H THR A 60 -8.843 -5.377 -7.137 1.00 43.14 H new ATOM 0 HA THR A 60 -11.259 -3.691 -7.067 1.00 43.31 H new ATOM 0 HB THR A 60 -10.486 -4.295 -9.309 1.00 62.24 H new ATOM 0 HG1 THR A 60 -12.907 -5.257 -8.277 1.00 31.53 H new ATOM 0 HG21 THR A 60 -10.399 -6.649 -10.064 1.00 24.44 H new ATOM 0 HG22 THR A 60 -9.224 -6.326 -8.766 1.00 24.44 H new ATOM 0 HG23 THR A 60 -10.738 -7.187 -8.402 1.00 24.44 H new ATOM 393 N ASP A 61 -10.876 -6.519 -5.622 1.00 73.33 N ATOM 394 CA ASP A 61 -11.465 -7.533 -4.740 1.00 14.40 C ATOM 395 C ASP A 61 -12.265 -6.892 -3.594 1.00 21.53 C ATOM 396 O ASP A 61 -11.793 -5.947 -2.963 1.00 25.30 O ATOM 397 CB ASP A 61 -10.344 -8.401 -4.162 1.00 23.01 C ATOM 398 CG ASP A 61 -9.541 -9.105 -5.243 1.00 13.42 C ATOM 399 OD1 ASP A 61 -8.656 -8.463 -5.847 1.00 63.43 O ATOM 400 OD2 ASP A 61 -9.796 -10.302 -5.499 1.00 41.42 O ATOM 0 H ASP A 61 -9.856 -6.504 -5.609 1.00 73.33 H new ATOM 0 HA ASP A 61 -12.154 -8.141 -5.326 1.00 14.40 H new ATOM 0 HB2 ASP A 61 -9.677 -7.779 -3.565 1.00 23.01 H new ATOM 0 HB3 ASP A 61 -10.773 -9.144 -3.490 1.00 23.01 H new ATOM 405 N TYR A 62 -13.469 -7.411 -3.322 1.00 12.41 N ATOM 406 CA TYR A 62 -14.305 -6.892 -2.228 1.00 12.33 C ATOM 407 C TYR A 62 -13.532 -6.874 -0.903 1.00 1.34 C ATOM 408 O TYR A 62 -13.536 -5.880 -0.181 1.00 21.12 O ATOM 409 CB TYR A 62 -15.594 -7.713 -2.072 1.00 72.45 C ATOM 410 CG TYR A 62 -16.455 -7.261 -0.904 1.00 53.34 C ATOM 411 CD1 TYR A 62 -17.177 -6.070 -0.965 1.00 32.24 C ATOM 412 CD2 TYR A 62 -16.535 -8.016 0.264 1.00 24.11 C ATOM 413 CE1 TYR A 62 -17.947 -5.648 0.101 1.00 21.11 C ATOM 414 CE2 TYR A 62 -17.306 -7.601 1.330 1.00 74.42 C ATOM 415 CZ TYR A 62 -18.009 -6.416 1.246 1.00 23.53 C ATOM 416 OH TYR A 62 -18.770 -5.994 2.313 1.00 21.11 O ATOM 0 H TYR A 62 -13.886 -8.185 -3.840 1.00 12.41 H new ATOM 0 HA TYR A 62 -14.577 -5.869 -2.487 1.00 12.33 H new ATOM 0 HB2 TYR A 62 -16.175 -7.643 -2.992 1.00 72.45 H new ATOM 0 HB3 TYR A 62 -15.334 -8.763 -1.938 1.00 72.45 H new ATOM 0 HD1 TYR A 62 -17.133 -5.468 -1.860 1.00 32.24 H new ATOM 0 HD2 TYR A 62 -15.984 -8.942 0.336 1.00 24.11 H new ATOM 0 HE1 TYR A 62 -18.498 -4.721 0.039 1.00 21.11 H new ATOM 0 HE2 TYR A 62 -17.359 -8.201 2.227 1.00 74.42 H new ATOM 0 HH TYR A 62 -18.899 -6.738 2.937 1.00 21.11 H new ATOM 426 N HIS A 63 -12.883 -7.981 -0.572 1.00 64.23 N ATOM 427 CA HIS A 63 -11.960 -7.999 0.557 1.00 51.00 C ATOM 428 C HIS A 63 -10.572 -7.527 0.120 1.00 75.23 C ATOM 429 O HIS A 63 -9.744 -8.325 -0.329 1.00 3.22 O ATOM 430 CB HIS A 63 -11.876 -9.394 1.189 1.00 35.02 C ATOM 431 CG HIS A 63 -12.974 -9.684 2.160 1.00 41.11 C ATOM 432 ND1 HIS A 63 -13.632 -10.892 2.218 1.00 33.24 N ATOM 433 CD2 HIS A 63 -13.505 -8.922 3.143 1.00 53.42 C ATOM 434 CE1 HIS A 63 -14.514 -10.861 3.194 1.00 22.30 C ATOM 435 NE2 HIS A 63 -14.459 -9.680 3.772 1.00 13.32 N ATOM 0 H HIS A 63 -12.976 -8.871 -1.062 1.00 64.23 H new ATOM 0 HA HIS A 63 -12.344 -7.313 1.312 1.00 51.00 H new ATOM 0 HB2 HIS A 63 -11.897 -10.143 0.397 1.00 35.02 H new ATOM 0 HB3 HIS A 63 -10.918 -9.495 1.698 1.00 35.02 H new ATOM 0 HD2 HIS A 63 -13.229 -7.907 3.387 1.00 53.42 H new ATOM 0 HE1 HIS A 63 -15.173 -11.670 3.474 1.00 22.30 H new ATOM 0 HE2 HIS A 63 -15.033 -9.378 4.559 1.00 13.32 H new ATOM 444 N TYR A 64 -10.322 -6.225 0.229 1.00 5.31 N ATOM 445 CA TYR A 64 -9.033 -5.670 -0.166 1.00 44.24 C ATOM 446 C TYR A 64 -7.945 -6.053 0.845 1.00 12.52 C ATOM 447 O TYR A 64 -7.696 -5.353 1.823 1.00 33.21 O ATOM 448 CB TYR A 64 -9.108 -4.140 -0.360 1.00 32.44 C ATOM 449 CG TYR A 64 -9.512 -3.333 0.872 1.00 71.11 C ATOM 450 CD1 TYR A 64 -10.846 -3.219 1.252 1.00 32.44 C ATOM 451 CD2 TYR A 64 -8.560 -2.665 1.640 1.00 74.31 C ATOM 452 CE1 TYR A 64 -11.213 -2.472 2.357 1.00 23.02 C ATOM 453 CE2 TYR A 64 -8.924 -1.916 2.744 1.00 44.33 C ATOM 454 CZ TYR A 64 -10.252 -1.825 3.097 1.00 15.13 C ATOM 455 OH TYR A 64 -10.624 -1.076 4.195 1.00 54.41 O ATOM 0 H TYR A 64 -10.989 -5.540 0.585 1.00 5.31 H new ATOM 0 HA TYR A 64 -8.765 -6.102 -1.130 1.00 44.24 H new ATOM 0 HB2 TYR A 64 -8.134 -3.787 -0.699 1.00 32.44 H new ATOM 0 HB3 TYR A 64 -9.819 -3.928 -1.159 1.00 32.44 H new ATOM 0 HD1 TYR A 64 -11.607 -3.722 0.675 1.00 32.44 H new ATOM 0 HD2 TYR A 64 -7.517 -2.734 1.367 1.00 74.31 H new ATOM 0 HE1 TYR A 64 -12.253 -2.397 2.638 1.00 23.02 H new ATOM 0 HE2 TYR A 64 -8.171 -1.405 3.326 1.00 44.33 H new ATOM 0 HH TYR A 64 -9.827 -0.685 4.609 1.00 54.41 H new ATOM 465 N VAL A 65 -7.329 -7.205 0.628 1.00 52.15 N ATOM 466 CA VAL A 65 -6.237 -7.658 1.479 1.00 22.54 C ATOM 467 C VAL A 65 -4.903 -7.494 0.738 1.00 11.24 C ATOM 468 O VAL A 65 -4.591 -8.241 -0.193 1.00 74.34 O ATOM 469 CB VAL A 65 -6.444 -9.135 1.901 1.00 33.41 C ATOM 470 CG1 VAL A 65 -5.358 -9.578 2.877 1.00 23.01 C ATOM 471 CG2 VAL A 65 -7.842 -9.334 2.505 1.00 41.24 C ATOM 0 H VAL A 65 -7.566 -7.844 -0.131 1.00 52.15 H new ATOM 0 HA VAL A 65 -6.221 -7.049 2.383 1.00 22.54 H new ATOM 0 HB VAL A 65 -6.368 -9.759 1.011 1.00 33.41 H new ATOM 0 HG11 VAL A 65 -5.524 -10.618 3.159 1.00 23.01 H new ATOM 0 HG12 VAL A 65 -4.381 -9.482 2.403 1.00 23.01 H new ATOM 0 HG13 VAL A 65 -5.392 -8.951 3.768 1.00 23.01 H new ATOM 0 HG21 VAL A 65 -7.968 -10.377 2.795 1.00 41.24 H new ATOM 0 HG22 VAL A 65 -7.953 -8.697 3.383 1.00 41.24 H new ATOM 0 HG23 VAL A 65 -8.599 -9.069 1.766 1.00 41.24 H new ATOM 481 N SER A 66 -4.110 -6.520 1.168 1.00 44.15 N ATOM 482 CA SER A 66 -2.889 -6.132 0.447 1.00 13.44 C ATOM 483 C SER A 66 -1.629 -6.744 1.065 1.00 51.34 C ATOM 484 O SER A 66 -1.640 -7.210 2.209 1.00 64.24 O ATOM 485 CB SER A 66 -2.763 -4.601 0.407 1.00 35.11 C ATOM 486 OG SER A 66 -2.776 -4.050 1.714 1.00 52.40 O ATOM 0 H SER A 66 -4.286 -5.979 2.015 1.00 44.15 H new ATOM 0 HA SER A 66 -2.976 -6.521 -0.568 1.00 13.44 H new ATOM 0 HB2 SER A 66 -1.838 -4.323 -0.098 1.00 35.11 H new ATOM 0 HB3 SER A 66 -3.583 -4.181 -0.175 1.00 35.11 H new ATOM 0 HG SER A 66 -3.687 -4.083 2.074 1.00 52.40 H new ATOM 492 N THR A 67 -0.541 -6.732 0.296 1.00 32.31 N ATOM 493 CA THR A 67 0.744 -7.306 0.725 1.00 50.30 C ATOM 494 C THR A 67 1.911 -6.354 0.418 1.00 2.05 C ATOM 495 O THR A 67 1.881 -5.631 -0.580 1.00 64.13 O ATOM 496 CB THR A 67 1.025 -8.661 0.023 1.00 55.11 C ATOM 497 OG1 THR A 67 1.019 -8.495 -1.405 1.00 55.10 O ATOM 498 CG2 THR A 67 -0.004 -9.715 0.419 1.00 42.45 C ATOM 0 H THR A 67 -0.520 -6.327 -0.640 1.00 32.31 H new ATOM 0 HA THR A 67 0.668 -7.461 1.801 1.00 50.30 H new ATOM 0 HB THR A 67 2.009 -9.002 0.345 1.00 55.11 H new ATOM 0 HG1 THR A 67 1.199 -9.357 -1.835 1.00 55.10 H new ATOM 0 HG21 THR A 67 0.221 -10.652 -0.090 1.00 42.45 H new ATOM 0 HG22 THR A 67 0.030 -9.870 1.497 1.00 42.45 H new ATOM 0 HG23 THR A 67 -1.000 -9.377 0.133 1.00 42.45 H new ATOM 506 N PRO A 68 2.953 -6.332 1.276 1.00 61.32 N ATOM 507 CA PRO A 68 4.148 -5.507 1.039 1.00 42.01 C ATOM 508 C PRO A 68 4.967 -5.987 -0.174 1.00 2.32 C ATOM 509 O PRO A 68 5.615 -7.037 -0.129 1.00 32.12 O ATOM 510 CB PRO A 68 4.953 -5.654 2.340 1.00 45.21 C ATOM 511 CG PRO A 68 4.486 -6.939 2.944 1.00 42.22 C ATOM 512 CD PRO A 68 3.044 -7.092 2.540 1.00 21.54 C ATOM 0 HA PRO A 68 3.889 -4.475 0.804 1.00 42.01 H new ATOM 0 HB2 PRO A 68 6.024 -5.679 2.140 1.00 45.21 H new ATOM 0 HB3 PRO A 68 4.773 -4.815 3.012 1.00 45.21 H new ATOM 0 HG2 PRO A 68 5.082 -7.778 2.585 1.00 42.22 H new ATOM 0 HG3 PRO A 68 4.586 -6.918 4.029 1.00 42.22 H new ATOM 0 HD2 PRO A 68 2.777 -8.139 2.398 1.00 21.54 H new ATOM 0 HD3 PRO A 68 2.371 -6.691 3.298 1.00 21.54 H new ATOM 520 N LYS A 69 4.923 -5.214 -1.257 1.00 34.10 N ATOM 521 CA LYS A 69 5.639 -5.555 -2.497 1.00 31.45 C ATOM 522 C LYS A 69 7.150 -5.504 -2.332 1.00 64.43 C ATOM 523 O LYS A 69 7.702 -4.667 -1.616 1.00 53.23 O ATOM 524 CB LYS A 69 5.209 -4.621 -3.633 1.00 62.51 C ATOM 525 CG LYS A 69 3.734 -4.740 -3.997 1.00 55.25 C ATOM 526 CD LYS A 69 3.307 -3.699 -5.033 1.00 23.31 C ATOM 527 CE LYS A 69 3.906 -3.952 -6.410 1.00 11.24 C ATOM 528 NZ LYS A 69 3.362 -3.004 -7.423 1.00 31.52 N ATOM 0 H LYS A 69 4.397 -4.341 -1.306 1.00 34.10 H new ATOM 0 HA LYS A 69 5.373 -6.583 -2.743 1.00 31.45 H new ATOM 0 HB2 LYS A 69 5.421 -3.591 -3.345 1.00 62.51 H new ATOM 0 HB3 LYS A 69 5.811 -4.836 -4.516 1.00 62.51 H new ATOM 0 HG2 LYS A 69 3.537 -5.739 -4.386 1.00 55.25 H new ATOM 0 HG3 LYS A 69 3.129 -4.624 -3.098 1.00 55.25 H new ATOM 0 HD2 LYS A 69 2.220 -3.696 -5.110 1.00 23.31 H new ATOM 0 HD3 LYS A 69 3.605 -2.708 -4.689 1.00 23.31 H new ATOM 0 HE2 LYS A 69 4.990 -3.851 -6.361 1.00 11.24 H new ATOM 0 HE3 LYS A 69 3.695 -4.976 -6.718 1.00 11.24 H new ATOM 0 HZ1 LYS A 69 3.751 -3.235 -8.359 1.00 31.52 H new ATOM 0 HZ2 LYS A 69 2.325 -3.082 -7.450 1.00 31.52 H new ATOM 0 HZ3 LYS A 69 3.629 -2.032 -7.168 1.00 31.52 H new ATOM 542 N ASP A 70 7.802 -6.419 -3.020 1.00 32.42 N ATOM 543 CA ASP A 70 9.239 -6.542 -2.973 1.00 41.22 C ATOM 544 C ASP A 70 9.926 -5.443 -3.809 1.00 14.34 C ATOM 545 O ASP A 70 10.162 -5.595 -5.008 1.00 55.24 O ATOM 546 CB ASP A 70 9.627 -7.943 -3.444 1.00 71.50 C ATOM 547 CG ASP A 70 9.117 -8.269 -4.842 1.00 3.35 C ATOM 548 OD1 ASP A 70 7.903 -8.534 -4.991 1.00 4.53 O ATOM 549 OD2 ASP A 70 9.924 -8.280 -5.793 1.00 34.11 O ATOM 0 H ASP A 70 7.346 -7.099 -3.628 1.00 32.42 H new ATOM 0 HA ASP A 70 9.583 -6.404 -1.948 1.00 41.22 H new ATOM 0 HB2 ASP A 70 10.713 -8.036 -3.430 1.00 71.50 H new ATOM 0 HB3 ASP A 70 9.234 -8.677 -2.741 1.00 71.50 H new ATOM 554 N ILE A 71 10.213 -4.318 -3.166 1.00 32.54 N ATOM 555 CA ILE A 71 10.852 -3.184 -3.834 1.00 41.10 C ATOM 556 C ILE A 71 12.385 -3.306 -3.788 1.00 62.53 C ATOM 557 O ILE A 71 12.985 -3.256 -2.710 1.00 63.51 O ATOM 558 CB ILE A 71 10.420 -1.851 -3.177 1.00 65.15 C ATOM 559 CG1 ILE A 71 8.886 -1.796 -3.064 1.00 72.11 C ATOM 560 CG2 ILE A 71 10.952 -0.655 -3.973 1.00 42.01 C ATOM 561 CD1 ILE A 71 8.368 -0.592 -2.309 1.00 11.15 C ATOM 0 H ILE A 71 10.013 -4.163 -2.178 1.00 32.54 H new ATOM 0 HA ILE A 71 10.531 -3.192 -4.876 1.00 41.10 H new ATOM 0 HB ILE A 71 10.846 -1.799 -2.175 1.00 65.15 H new ATOM 0 HG12 ILE A 71 8.458 -1.795 -4.066 1.00 72.11 H new ATOM 0 HG13 ILE A 71 8.536 -2.701 -2.568 1.00 72.11 H new ATOM 0 HG21 ILE A 71 10.636 0.271 -3.493 1.00 42.01 H new ATOM 0 HG22 ILE A 71 12.041 -0.694 -4.005 1.00 42.01 H new ATOM 0 HG23 ILE A 71 10.558 -0.690 -4.989 1.00 42.01 H new ATOM 0 HD11 ILE A 71 7.279 -0.626 -2.273 1.00 11.15 H new ATOM 0 HD12 ILE A 71 8.765 -0.601 -1.294 1.00 11.15 H new ATOM 0 HD13 ILE A 71 8.686 0.319 -2.815 1.00 11.15 H new ATOM 573 N PRO A 72 13.043 -3.469 -4.955 1.00 42.04 N ATOM 574 CA PRO A 72 14.507 -3.621 -5.025 1.00 52.24 C ATOM 575 C PRO A 72 15.271 -2.434 -4.412 1.00 12.12 C ATOM 576 O PRO A 72 15.403 -1.375 -5.031 1.00 73.34 O ATOM 577 CB PRO A 72 14.788 -3.729 -6.532 1.00 62.10 C ATOM 578 CG PRO A 72 13.495 -4.170 -7.130 1.00 73.44 C ATOM 579 CD PRO A 72 12.421 -3.530 -6.291 1.00 71.15 C ATOM 0 HA PRO A 72 14.844 -4.484 -4.451 1.00 52.24 H new ATOM 0 HB2 PRO A 72 15.108 -2.772 -6.944 1.00 62.10 H new ATOM 0 HB3 PRO A 72 15.583 -4.446 -6.736 1.00 62.10 H new ATOM 0 HG2 PRO A 72 13.418 -3.857 -8.171 1.00 73.44 H new ATOM 0 HG3 PRO A 72 13.407 -5.256 -7.117 1.00 73.44 H new ATOM 0 HD2 PRO A 72 12.157 -2.539 -6.660 1.00 71.15 H new ATOM 0 HD3 PRO A 72 11.506 -4.122 -6.285 1.00 71.15 H new ATOM 587 N GLY A 73 15.766 -2.616 -3.189 1.00 44.13 N ATOM 588 CA GLY A 73 16.522 -1.563 -2.517 1.00 21.41 C ATOM 589 C GLY A 73 15.745 -0.851 -1.408 1.00 72.13 C ATOM 590 O GLY A 73 16.228 0.127 -0.838 1.00 70.11 O ATOM 0 H GLY A 73 15.658 -3.474 -2.648 1.00 44.13 H new ATOM 0 HA2 GLY A 73 17.428 -1.995 -2.092 1.00 21.41 H new ATOM 0 HA3 GLY A 73 16.836 -0.827 -3.257 1.00 21.41 H new ATOM 594 N TYR A 74 14.537 -1.329 -1.098 1.00 2.02 N ATOM 595 CA TYR A 74 13.719 -0.738 -0.023 1.00 32.43 C ATOM 596 C TYR A 74 13.206 -1.786 0.979 1.00 3.45 C ATOM 597 O TYR A 74 12.913 -2.928 0.623 1.00 11.42 O ATOM 598 CB TYR A 74 12.545 0.060 -0.611 1.00 23.31 C ATOM 599 CG TYR A 74 12.932 1.467 -1.032 1.00 73.25 C ATOM 600 CD1 TYR A 74 13.714 1.692 -2.162 1.00 1.23 C ATOM 601 CD2 TYR A 74 12.533 2.571 -0.284 1.00 72.32 C ATOM 602 CE1 TYR A 74 14.087 2.971 -2.527 1.00 60.32 C ATOM 603 CE2 TYR A 74 12.897 3.850 -0.648 1.00 11.32 C ATOM 604 CZ TYR A 74 13.675 4.045 -1.767 1.00 1.15 C ATOM 605 OH TYR A 74 14.046 5.320 -2.125 1.00 75.52 O ATOM 0 H TYR A 74 14.101 -2.120 -1.571 1.00 2.02 H new ATOM 0 HA TYR A 74 14.371 -0.062 0.530 1.00 32.43 H new ATOM 0 HB2 TYR A 74 12.146 -0.474 -1.473 1.00 23.31 H new ATOM 0 HB3 TYR A 74 11.745 0.115 0.127 1.00 23.31 H new ATOM 0 HD1 TYR A 74 14.034 0.853 -2.763 1.00 1.23 H new ATOM 0 HD2 TYR A 74 11.927 2.423 0.598 1.00 72.32 H new ATOM 0 HE1 TYR A 74 14.698 3.129 -3.403 1.00 60.32 H new ATOM 0 HE2 TYR A 74 12.573 4.695 -0.058 1.00 11.32 H new ATOM 0 HH TYR A 74 13.672 5.961 -1.485 1.00 75.52 H new ATOM 615 N LYS A 75 13.103 -1.361 2.239 1.00 43.13 N ATOM 616 CA LYS A 75 12.637 -2.215 3.339 1.00 64.52 C ATOM 617 C LYS A 75 11.361 -1.636 3.977 1.00 5.31 C ATOM 618 O LYS A 75 11.274 -0.436 4.221 1.00 22.10 O ATOM 619 CB LYS A 75 13.750 -2.362 4.399 1.00 13.30 C ATOM 620 CG LYS A 75 14.659 -3.569 4.184 1.00 4.31 C ATOM 621 CD LYS A 75 15.684 -3.732 5.309 1.00 74.12 C ATOM 622 CE LYS A 75 16.587 -2.510 5.459 1.00 2.21 C ATOM 623 NZ LYS A 75 17.694 -2.754 6.423 1.00 72.22 N ATOM 0 H LYS A 75 13.340 -0.412 2.529 1.00 43.13 H new ATOM 0 HA LYS A 75 12.398 -3.200 2.937 1.00 64.52 H new ATOM 0 HB2 LYS A 75 14.359 -1.458 4.399 1.00 13.30 H new ATOM 0 HB3 LYS A 75 13.291 -2.437 5.385 1.00 13.30 H new ATOM 0 HG2 LYS A 75 14.051 -4.471 4.116 1.00 4.31 H new ATOM 0 HG3 LYS A 75 15.181 -3.463 3.233 1.00 4.31 H new ATOM 0 HD2 LYS A 75 15.162 -3.911 6.249 1.00 74.12 H new ATOM 0 HD3 LYS A 75 16.298 -4.611 5.113 1.00 74.12 H new ATOM 0 HE2 LYS A 75 17.003 -2.245 4.487 1.00 2.21 H new ATOM 0 HE3 LYS A 75 15.994 -1.659 5.795 1.00 2.21 H new ATOM 0 HZ1 LYS A 75 18.284 -1.901 6.497 1.00 72.22 H new ATOM 0 HZ2 LYS A 75 17.297 -2.982 7.357 1.00 72.22 H new ATOM 0 HZ3 LYS A 75 18.275 -3.550 6.090 1.00 72.22 H new ATOM 637 N LEU A 76 10.377 -2.495 4.246 1.00 32.32 N ATOM 638 CA LEU A 76 9.083 -2.049 4.787 1.00 11.21 C ATOM 639 C LEU A 76 9.218 -1.434 6.193 1.00 3.35 C ATOM 640 O LEU A 76 9.716 -2.072 7.124 1.00 40.34 O ATOM 641 CB LEU A 76 8.092 -3.219 4.827 1.00 71.32 C ATOM 642 CG LEU A 76 6.674 -2.873 5.316 1.00 32.13 C ATOM 643 CD1 LEU A 76 5.978 -1.908 4.354 1.00 22.23 C ATOM 644 CD2 LEU A 76 5.854 -4.144 5.503 1.00 13.25 C ATOM 0 H LEU A 76 10.446 -3.502 4.100 1.00 32.32 H new ATOM 0 HA LEU A 76 8.709 -1.272 4.121 1.00 11.21 H new ATOM 0 HB2 LEU A 76 8.018 -3.644 3.826 1.00 71.32 H new ATOM 0 HB3 LEU A 76 8.500 -3.996 5.473 1.00 71.32 H new ATOM 0 HG LEU A 76 6.758 -2.372 6.280 1.00 32.13 H new ATOM 0 HD11 LEU A 76 4.978 -1.682 4.725 1.00 22.23 H new ATOM 0 HD12 LEU A 76 6.556 -0.986 4.282 1.00 22.23 H new ATOM 0 HD13 LEU A 76 5.903 -2.367 3.368 1.00 22.23 H new ATOM 0 HD21 LEU A 76 4.854 -3.884 5.849 1.00 13.25 H new ATOM 0 HD22 LEU A 76 5.783 -4.674 4.553 1.00 13.25 H new ATOM 0 HD23 LEU A 76 6.338 -4.784 6.241 1.00 13.25 H new ATOM 656 N ARG A 77 8.759 -0.192 6.334 1.00 22.35 N ATOM 657 CA ARG A 77 8.759 0.505 7.623 1.00 52.31 C ATOM 658 C ARG A 77 7.528 0.137 8.469 1.00 44.41 C ATOM 659 O ARG A 77 7.659 -0.382 9.579 1.00 24.43 O ATOM 660 CB ARG A 77 8.798 2.023 7.391 1.00 64.31 C ATOM 661 CG ARG A 77 8.528 2.853 8.645 1.00 34.42 C ATOM 662 CD ARG A 77 8.504 4.349 8.344 1.00 21.32 C ATOM 663 NE ARG A 77 7.611 5.074 9.244 1.00 11.41 N ATOM 664 CZ ARG A 77 7.580 6.374 9.365 1.00 21.43 C ATOM 665 NH1 ARG A 77 8.457 7.121 8.769 1.00 13.45 N ATOM 666 NH2 ARG A 77 6.689 6.925 10.120 1.00 64.42 N ATOM 0 H ARG A 77 8.378 0.359 5.564 1.00 22.35 H new ATOM 0 HA ARG A 77 9.646 0.192 8.173 1.00 52.31 H new ATOM 0 HB2 ARG A 77 9.776 2.294 6.993 1.00 64.31 H new ATOM 0 HB3 ARG A 77 8.061 2.283 6.631 1.00 64.31 H new ATOM 0 HG2 ARG A 77 7.574 2.555 9.079 1.00 34.42 H new ATOM 0 HG3 ARG A 77 9.296 2.645 9.390 1.00 34.42 H new ATOM 0 HD2 ARG A 77 9.513 4.753 8.431 1.00 21.32 H new ATOM 0 HD3 ARG A 77 8.186 4.506 7.313 1.00 21.32 H new ATOM 0 HE ARG A 77 6.968 4.528 9.817 1.00 11.41 H new ATOM 0 HH11 ARG A 77 9.185 6.695 8.196 1.00 13.45 H new ATOM 0 HH12 ARG A 77 8.419 8.135 8.874 1.00 13.45 H new ATOM 0 HH21 ARG A 77 6.014 6.345 10.618 1.00 64.42 H new ATOM 0 HH22 ARG A 77 6.660 7.940 10.218 1.00 64.42 H new ATOM 680 N GLU A 78 6.332 0.394 7.936 1.00 25.20 N ATOM 681 CA GLU A 78 5.086 0.155 8.683 1.00 44.14 C ATOM 682 C GLU A 78 3.895 -0.124 7.752 1.00 51.24 C ATOM 683 O GLU A 78 3.874 0.308 6.595 1.00 74.24 O ATOM 684 CB GLU A 78 4.767 1.359 9.593 1.00 1.12 C ATOM 685 CG GLU A 78 4.608 2.683 8.846 1.00 31.14 C ATOM 686 CD GLU A 78 4.344 3.866 9.775 1.00 1.04 C ATOM 687 OE1 GLU A 78 5.232 4.194 10.598 1.00 70.11 O ATOM 688 OE2 GLU A 78 3.261 4.484 9.671 1.00 12.33 O ATOM 0 H GLU A 78 6.195 0.765 6.996 1.00 25.20 H new ATOM 0 HA GLU A 78 5.244 -0.734 9.294 1.00 44.14 H new ATOM 0 HB2 GLU A 78 3.849 1.152 10.142 1.00 1.12 H new ATOM 0 HB3 GLU A 78 5.563 1.464 10.330 1.00 1.12 H new ATOM 0 HG2 GLU A 78 5.511 2.878 8.267 1.00 31.14 H new ATOM 0 HG3 GLU A 78 3.786 2.596 8.135 1.00 31.14 H new ATOM 695 N ILE A 79 2.910 -0.857 8.272 1.00 52.11 N ATOM 696 CA ILE A 79 1.683 -1.172 7.533 1.00 53.23 C ATOM 697 C ILE A 79 0.467 -0.450 8.147 1.00 52.52 C ATOM 698 O ILE A 79 0.254 -0.509 9.361 1.00 72.13 O ATOM 699 CB ILE A 79 1.418 -2.702 7.522 1.00 32.12 C ATOM 700 CG1 ILE A 79 2.575 -3.440 6.827 1.00 20.32 C ATOM 701 CG2 ILE A 79 0.084 -3.027 6.846 1.00 51.13 C ATOM 702 CD1 ILE A 79 2.392 -4.940 6.746 1.00 2.54 C ATOM 0 H ILE A 79 2.938 -1.249 9.213 1.00 52.11 H new ATOM 0 HA ILE A 79 1.823 -0.826 6.509 1.00 53.23 H new ATOM 0 HB ILE A 79 1.358 -3.044 8.555 1.00 32.12 H new ATOM 0 HG12 ILE A 79 2.690 -3.044 5.818 1.00 20.32 H new ATOM 0 HG13 ILE A 79 3.501 -3.226 7.361 1.00 20.32 H new ATOM 0 HG21 ILE A 79 -0.074 -4.105 6.853 1.00 51.13 H new ATOM 0 HG22 ILE A 79 -0.726 -2.538 7.386 1.00 51.13 H new ATOM 0 HG23 ILE A 79 0.101 -2.670 5.816 1.00 51.13 H new ATOM 0 HD11 ILE A 79 3.250 -5.385 6.242 1.00 2.54 H new ATOM 0 HD12 ILE A 79 2.308 -5.351 7.752 1.00 2.54 H new ATOM 0 HD13 ILE A 79 1.485 -5.166 6.185 1.00 2.54 H new ATOM 714 N PRO A 80 -0.351 0.235 7.321 1.00 55.40 N ATOM 715 CA PRO A 80 -1.532 0.973 7.808 1.00 23.15 C ATOM 716 C PRO A 80 -2.658 0.048 8.317 1.00 5.54 C ATOM 717 O PRO A 80 -2.933 -0.999 7.731 1.00 2.55 O ATOM 718 CB PRO A 80 -1.990 1.754 6.567 1.00 14.42 C ATOM 719 CG PRO A 80 -1.504 0.945 5.414 1.00 33.42 C ATOM 720 CD PRO A 80 -0.195 0.349 5.853 1.00 10.34 C ATOM 0 HA PRO A 80 -1.291 1.601 8.666 1.00 23.15 H new ATOM 0 HB2 PRO A 80 -3.074 1.864 6.545 1.00 14.42 H new ATOM 0 HB3 PRO A 80 -1.568 2.759 6.553 1.00 14.42 H new ATOM 0 HG2 PRO A 80 -2.220 0.166 5.154 1.00 33.42 H new ATOM 0 HG3 PRO A 80 -1.373 1.566 4.528 1.00 33.42 H new ATOM 0 HD2 PRO A 80 -0.019 -0.622 5.390 1.00 10.34 H new ATOM 0 HD3 PRO A 80 0.648 0.987 5.586 1.00 10.34 H new ATOM 728 N HIS A 81 -3.316 0.452 9.407 1.00 55.42 N ATOM 729 CA HIS A 81 -4.402 -0.342 10.016 1.00 73.50 C ATOM 730 C HIS A 81 -5.533 -0.662 9.020 1.00 11.31 C ATOM 731 O HIS A 81 -6.277 -1.626 9.199 1.00 22.25 O ATOM 732 CB HIS A 81 -4.980 0.397 11.231 1.00 75.42 C ATOM 733 CG HIS A 81 -5.523 1.760 10.917 1.00 54.31 C ATOM 734 ND1 HIS A 81 -4.803 2.920 11.108 1.00 54.25 N ATOM 735 CD2 HIS A 81 -6.727 2.150 10.428 1.00 62.04 C ATOM 736 CE1 HIS A 81 -5.531 3.956 10.750 1.00 42.23 C ATOM 737 NE2 HIS A 81 -6.701 3.520 10.335 1.00 70.04 N ATOM 0 H HIS A 81 -3.119 1.327 9.892 1.00 55.42 H new ATOM 0 HA HIS A 81 -3.964 -1.290 10.328 1.00 73.50 H new ATOM 0 HB2 HIS A 81 -5.775 -0.208 11.666 1.00 75.42 H new ATOM 0 HB3 HIS A 81 -4.202 0.493 11.988 1.00 75.42 H new ATOM 0 HD2 HIS A 81 -7.551 1.504 10.162 1.00 62.04 H new ATOM 0 HE1 HIS A 81 -5.221 4.990 10.790 1.00 42.23 H new ATOM 0 HE2 HIS A 81 -7.466 4.105 9.998 1.00 70.04 H new ATOM 746 N ASN A 82 -5.665 0.156 7.981 1.00 10.43 N ATOM 747 CA ASN A 82 -6.720 -0.024 6.973 1.00 3.31 C ATOM 748 C ASN A 82 -6.191 -0.733 5.713 1.00 61.33 C ATOM 749 O ASN A 82 -6.765 -0.601 4.634 1.00 50.54 O ATOM 750 CB ASN A 82 -7.329 1.339 6.603 1.00 12.45 C ATOM 751 CG ASN A 82 -6.293 2.327 6.091 1.00 22.13 C ATOM 752 OD1 ASN A 82 -5.135 2.289 6.484 1.00 72.13 O ATOM 753 ND2 ASN A 82 -6.704 3.231 5.223 1.00 45.20 N ATOM 0 H ASN A 82 -5.055 0.955 7.809 1.00 10.43 H new ATOM 0 HA ASN A 82 -7.492 -0.660 7.406 1.00 3.31 H new ATOM 0 HB2 ASN A 82 -8.095 1.195 5.841 1.00 12.45 H new ATOM 0 HB3 ASN A 82 -7.825 1.760 7.478 1.00 12.45 H new ATOM 0 HD21 ASN A 82 -6.050 3.924 4.860 1.00 45.20 H new ATOM 0 HD22 ASN A 82 -7.676 3.237 4.914 1.00 45.20 H new ATOM 760 N ALA A 83 -5.112 -1.502 5.863 1.00 31.35 N ATOM 761 CA ALA A 83 -4.518 -2.235 4.735 1.00 12.32 C ATOM 762 C ALA A 83 -5.352 -3.459 4.321 1.00 45.15 C ATOM 763 O ALA A 83 -5.177 -3.998 3.223 1.00 22.43 O ATOM 764 CB ALA A 83 -3.098 -2.662 5.082 1.00 31.14 C ATOM 0 H ALA A 83 -4.629 -1.636 6.751 1.00 31.35 H new ATOM 0 HA ALA A 83 -4.502 -1.556 3.882 1.00 12.32 H new ATOM 0 HB1 ALA A 83 -2.665 -3.204 4.241 1.00 31.14 H new ATOM 0 HB2 ALA A 83 -2.494 -1.780 5.294 1.00 31.14 H new ATOM 0 HB3 ALA A 83 -3.117 -3.308 5.960 1.00 31.14 H new ATOM 770 N THR A 84 -6.240 -3.905 5.210 1.00 33.42 N ATOM 771 CA THR A 84 -7.119 -5.055 4.938 1.00 70.35 C ATOM 772 C THR A 84 -8.572 -4.741 5.311 1.00 61.33 C ATOM 773 O THR A 84 -8.844 -3.802 6.062 1.00 0.51 O ATOM 774 CB THR A 84 -6.678 -6.316 5.724 1.00 55.25 C ATOM 775 OG1 THR A 84 -6.780 -6.081 7.140 1.00 75.01 O ATOM 776 CG2 THR A 84 -5.246 -6.713 5.372 1.00 12.32 C ATOM 0 H THR A 84 -6.374 -3.488 6.131 1.00 33.42 H new ATOM 0 HA THR A 84 -7.043 -5.252 3.869 1.00 70.35 H new ATOM 0 HB THR A 84 -7.342 -7.133 5.443 1.00 55.25 H new ATOM 0 HG1 THR A 84 -6.501 -6.885 7.626 1.00 75.01 H new ATOM 0 HG21 THR A 84 -4.965 -7.601 5.939 1.00 12.32 H new ATOM 0 HG22 THR A 84 -5.180 -6.927 4.305 1.00 12.32 H new ATOM 0 HG23 THR A 84 -4.570 -5.895 5.620 1.00 12.32 H new ATOM 784 N GLY A 85 -9.508 -5.526 4.779 1.00 22.23 N ATOM 785 CA GLY A 85 -10.917 -5.363 5.131 1.00 60.52 C ATOM 786 C GLY A 85 -11.854 -5.532 3.941 1.00 73.35 C ATOM 787 O GLY A 85 -11.480 -6.113 2.920 1.00 4.10 O ATOM 0 H GLY A 85 -9.319 -6.273 4.110 1.00 22.23 H new ATOM 0 HA2 GLY A 85 -11.180 -6.090 5.899 1.00 60.52 H new ATOM 0 HA3 GLY A 85 -11.065 -4.374 5.565 1.00 60.52 H new ATOM 791 N ASN A 86 -13.076 -5.024 4.074 1.00 13.41 N ATOM 792 CA ASN A 86 -14.074 -5.078 2.996 1.00 51.45 C ATOM 793 C ASN A 86 -14.299 -3.686 2.376 1.00 35.34 C ATOM 794 O ASN A 86 -14.339 -2.678 3.087 1.00 54.53 O ATOM 795 CB ASN A 86 -15.398 -5.635 3.541 1.00 2.44 C ATOM 796 CG ASN A 86 -15.954 -4.810 4.692 1.00 72.44 C ATOM 797 OD1 ASN A 86 -15.214 -4.193 5.448 1.00 24.34 O ATOM 798 ND2 ASN A 86 -17.263 -4.793 4.839 1.00 52.34 N ATOM 0 H ASN A 86 -13.406 -4.565 4.923 1.00 13.41 H new ATOM 0 HA ASN A 86 -13.699 -5.738 2.214 1.00 51.45 H new ATOM 0 HB2 ASN A 86 -16.132 -5.668 2.736 1.00 2.44 H new ATOM 0 HB3 ASN A 86 -15.245 -6.661 3.876 1.00 2.44 H new ATOM 0 HD21 ASN A 86 -17.684 -4.256 5.597 1.00 52.34 H new ATOM 0 HD22 ASN A 86 -17.855 -5.316 4.194 1.00 52.34 H new ATOM 805 N ILE A 87 -14.430 -3.625 1.048 1.00 23.54 N ATOM 806 CA ILE A 87 -14.668 -2.351 0.362 1.00 52.04 C ATOM 807 C ILE A 87 -16.078 -1.822 0.662 1.00 1.45 C ATOM 808 O ILE A 87 -17.059 -2.211 0.022 1.00 44.45 O ATOM 809 CB ILE A 87 -14.479 -2.463 -1.177 1.00 15.24 C ATOM 810 CG1 ILE A 87 -13.084 -3.010 -1.517 1.00 4.15 C ATOM 811 CG2 ILE A 87 -14.686 -1.098 -1.834 1.00 64.23 C ATOM 812 CD1 ILE A 87 -12.810 -3.108 -3.006 1.00 52.34 C ATOM 0 H ILE A 87 -14.376 -4.435 0.430 1.00 23.54 H new ATOM 0 HA ILE A 87 -13.924 -1.652 0.745 1.00 52.04 H new ATOM 0 HB ILE A 87 -15.223 -3.159 -1.564 1.00 15.24 H new ATOM 0 HG12 ILE A 87 -12.331 -2.368 -1.060 1.00 4.15 H new ATOM 0 HG13 ILE A 87 -12.973 -3.998 -1.071 1.00 4.15 H new ATOM 0 HG21 ILE A 87 -14.551 -1.189 -2.912 1.00 64.23 H new ATOM 0 HG22 ILE A 87 -15.694 -0.742 -1.623 1.00 64.23 H new ATOM 0 HG23 ILE A 87 -13.960 -0.389 -1.436 1.00 64.23 H new ATOM 0 HD11 ILE A 87 -11.806 -3.502 -3.166 1.00 52.34 H new ATOM 0 HD12 ILE A 87 -13.539 -3.774 -3.467 1.00 52.34 H new ATOM 0 HD13 ILE A 87 -12.887 -2.118 -3.456 1.00 52.34 H new ATOM 824 N THR A 88 -16.169 -0.949 1.657 1.00 41.21 N ATOM 825 CA THR A 88 -17.449 -0.351 2.056 1.00 74.14 C ATOM 826 C THR A 88 -17.589 1.083 1.540 1.00 5.24 C ATOM 827 O THR A 88 -18.615 1.731 1.753 1.00 63.24 O ATOM 828 CB THR A 88 -17.592 -0.324 3.593 1.00 70.05 C ATOM 829 OG1 THR A 88 -16.571 0.510 4.163 1.00 21.44 O ATOM 830 CG2 THR A 88 -17.491 -1.729 4.178 1.00 2.30 C ATOM 0 H THR A 88 -15.371 -0.634 2.209 1.00 41.21 H new ATOM 0 HA THR A 88 -18.230 -0.972 1.617 1.00 74.14 H new ATOM 0 HB THR A 88 -18.575 0.080 3.836 1.00 70.05 H new ATOM 0 HG1 THR A 88 -16.667 0.525 5.138 1.00 21.44 H new ATOM 0 HG21 THR A 88 -17.595 -1.680 5.262 1.00 2.30 H new ATOM 0 HG22 THR A 88 -18.284 -2.353 3.765 1.00 2.30 H new ATOM 0 HG23 THR A 88 -16.522 -2.159 3.926 1.00 2.30 H new ATOM 838 N ASP A 89 -16.558 1.573 0.861 1.00 0.32 N ATOM 839 CA ASP A 89 -16.520 2.960 0.397 1.00 73.24 C ATOM 840 C ASP A 89 -15.722 3.088 -0.914 1.00 75.43 C ATOM 841 O ASP A 89 -14.902 2.228 -1.240 1.00 42.42 O ATOM 842 CB ASP A 89 -15.913 3.843 1.496 1.00 21.24 C ATOM 843 CG ASP A 89 -15.915 5.314 1.135 1.00 23.31 C ATOM 844 OD1 ASP A 89 -17.010 5.870 0.907 1.00 72.25 O ATOM 845 OD2 ASP A 89 -14.828 5.922 1.080 1.00 52.54 O ATOM 0 H ASP A 89 -15.731 1.028 0.617 1.00 0.32 H new ATOM 0 HA ASP A 89 -17.537 3.292 0.189 1.00 73.24 H new ATOM 0 HB2 ASP A 89 -16.472 3.700 2.421 1.00 21.24 H new ATOM 0 HB3 ASP A 89 -14.889 3.522 1.689 1.00 21.24 H new ATOM 850 N THR A 90 -15.975 4.159 -1.664 1.00 22.25 N ATOM 851 CA THR A 90 -15.313 4.382 -2.961 1.00 44.15 C ATOM 852 C THR A 90 -14.127 5.346 -2.845 1.00 32.31 C ATOM 853 O THR A 90 -14.189 6.345 -2.124 1.00 61.52 O ATOM 854 CB THR A 90 -16.308 4.916 -4.025 1.00 2.31 C ATOM 855 OG1 THR A 90 -15.605 5.381 -5.189 1.00 60.53 O ATOM 856 CG2 THR A 90 -17.176 6.041 -3.469 1.00 42.00 C ATOM 0 H THR A 90 -16.634 4.891 -1.400 1.00 22.25 H new ATOM 0 HA THR A 90 -14.938 3.410 -3.281 1.00 44.15 H new ATOM 0 HB THR A 90 -16.958 4.086 -4.303 1.00 2.31 H new ATOM 0 HG1 THR A 90 -16.096 5.117 -5.995 1.00 60.53 H new ATOM 0 HG21 THR A 90 -17.860 6.389 -4.243 1.00 42.00 H new ATOM 0 HG22 THR A 90 -17.748 5.672 -2.618 1.00 42.00 H new ATOM 0 HG23 THR A 90 -16.540 6.866 -3.148 1.00 42.00 H new ATOM 864 N GLY A 91 -13.050 5.035 -3.563 1.00 73.21 N ATOM 865 CA GLY A 91 -11.847 5.868 -3.533 1.00 65.24 C ATOM 866 C GLY A 91 -10.993 5.677 -2.277 1.00 72.23 C ATOM 867 O GLY A 91 -10.467 6.648 -1.723 1.00 42.42 O ATOM 0 H GLY A 91 -12.984 4.218 -4.170 1.00 73.21 H new ATOM 0 HA2 GLY A 91 -11.240 5.645 -4.411 1.00 65.24 H new ATOM 0 HA3 GLY A 91 -12.140 6.915 -3.606 1.00 65.24 H new ATOM 871 N ILE A 92 -10.850 4.433 -1.823 1.00 73.10 N ATOM 872 CA ILE A 92 -9.996 4.125 -0.668 1.00 24.14 C ATOM 873 C ILE A 92 -8.535 3.957 -1.104 1.00 13.42 C ATOM 874 O ILE A 92 -8.252 3.273 -2.088 1.00 14.20 O ATOM 875 CB ILE A 92 -10.451 2.828 0.051 1.00 11.51 C ATOM 876 CG1 ILE A 92 -11.919 2.941 0.501 1.00 62.42 C ATOM 877 CG2 ILE A 92 -9.536 2.522 1.242 1.00 52.43 C ATOM 878 CD1 ILE A 92 -12.451 1.693 1.180 1.00 14.53 C ATOM 0 H ILE A 92 -11.311 3.621 -2.233 1.00 73.10 H new ATOM 0 HA ILE A 92 -10.085 4.963 0.023 1.00 24.14 H new ATOM 0 HB ILE A 92 -10.377 2.001 -0.655 1.00 11.51 H new ATOM 0 HG12 ILE A 92 -12.015 3.784 1.185 1.00 62.42 H new ATOM 0 HG13 ILE A 92 -12.539 3.163 -0.368 1.00 62.42 H new ATOM 0 HG21 ILE A 92 -9.871 1.609 1.733 1.00 52.43 H new ATOM 0 HG22 ILE A 92 -8.513 2.390 0.890 1.00 52.43 H new ATOM 0 HG23 ILE A 92 -9.572 3.349 1.951 1.00 52.43 H new ATOM 0 HD11 ILE A 92 -13.490 1.850 1.468 1.00 14.53 H new ATOM 0 HD12 ILE A 92 -12.389 0.850 0.492 1.00 14.53 H new ATOM 0 HD13 ILE A 92 -11.857 1.481 2.069 1.00 14.53 H new ATOM 890 N ILE A 93 -7.609 4.587 -0.381 1.00 63.53 N ATOM 891 CA ILE A 93 -6.182 4.448 -0.686 1.00 70.11 C ATOM 892 C ILE A 93 -5.390 3.893 0.510 1.00 4.11 C ATOM 893 O ILE A 93 -5.355 4.486 1.588 1.00 10.02 O ATOM 894 CB ILE A 93 -5.551 5.785 -1.158 1.00 70.12 C ATOM 895 CG1 ILE A 93 -6.238 6.262 -2.451 1.00 12.02 C ATOM 896 CG2 ILE A 93 -4.041 5.626 -1.367 1.00 63.30 C ATOM 897 CD1 ILE A 93 -5.565 7.448 -3.114 1.00 72.00 C ATOM 0 H ILE A 93 -7.817 5.193 0.413 1.00 63.53 H new ATOM 0 HA ILE A 93 -6.119 3.732 -1.505 1.00 70.11 H new ATOM 0 HB ILE A 93 -5.703 6.539 -0.385 1.00 70.12 H new ATOM 0 HG12 ILE A 93 -6.269 5.434 -3.159 1.00 12.02 H new ATOM 0 HG13 ILE A 93 -7.271 6.525 -2.224 1.00 12.02 H new ATOM 0 HG21 ILE A 93 -3.618 6.574 -1.698 1.00 63.30 H new ATOM 0 HG22 ILE A 93 -3.573 5.327 -0.429 1.00 63.30 H new ATOM 0 HG23 ILE A 93 -3.857 4.863 -2.123 1.00 63.30 H new ATOM 0 HD11 ILE A 93 -6.112 7.719 -4.017 1.00 72.00 H new ATOM 0 HD12 ILE A 93 -5.558 8.294 -2.426 1.00 72.00 H new ATOM 0 HD13 ILE A 93 -4.540 7.185 -3.376 1.00 72.00 H new ATOM 909 N VAL A 94 -4.762 2.740 0.297 1.00 23.25 N ATOM 910 CA VAL A 94 -3.896 2.108 1.291 1.00 72.32 C ATOM 911 C VAL A 94 -2.422 2.406 0.982 1.00 61.20 C ATOM 912 O VAL A 94 -1.927 2.082 -0.098 1.00 74.40 O ATOM 913 CB VAL A 94 -4.107 0.574 1.323 1.00 53.12 C ATOM 914 CG1 VAL A 94 -3.122 -0.094 2.280 1.00 4.01 C ATOM 915 CG2 VAL A 94 -5.548 0.234 1.702 1.00 51.32 C ATOM 0 H VAL A 94 -4.839 2.214 -0.574 1.00 23.25 H new ATOM 0 HA VAL A 94 -4.158 2.520 2.265 1.00 72.32 H new ATOM 0 HB VAL A 94 -3.918 0.186 0.322 1.00 53.12 H new ATOM 0 HG11 VAL A 94 -3.292 -1.171 2.284 1.00 4.01 H new ATOM 0 HG12 VAL A 94 -2.102 0.112 1.955 1.00 4.01 H new ATOM 0 HG13 VAL A 94 -3.268 0.300 3.286 1.00 4.01 H new ATOM 0 HG21 VAL A 94 -5.674 -0.849 1.718 1.00 51.32 H new ATOM 0 HG22 VAL A 94 -5.770 0.640 2.689 1.00 51.32 H new ATOM 0 HG23 VAL A 94 -6.229 0.667 0.969 1.00 51.32 H new ATOM 925 N ARG A 95 -1.725 3.026 1.925 1.00 22.45 N ATOM 926 CA ARG A 95 -0.325 3.422 1.711 1.00 63.43 C ATOM 927 C ARG A 95 0.665 2.643 2.589 1.00 41.41 C ATOM 928 O ARG A 95 0.643 2.743 3.816 1.00 32.31 O ATOM 929 CB ARG A 95 -0.166 4.934 1.941 1.00 43.11 C ATOM 930 CG ARG A 95 -0.222 5.747 0.655 1.00 22.42 C ATOM 931 CD ARG A 95 -0.163 7.242 0.923 1.00 12.54 C ATOM 932 NE ARG A 95 -0.155 8.011 -0.319 1.00 0.44 N ATOM 933 CZ ARG A 95 0.178 9.265 -0.407 1.00 2.55 C ATOM 934 NH1 ARG A 95 0.469 9.945 0.654 1.00 31.42 N ATOM 935 NH2 ARG A 95 0.184 9.844 -1.564 1.00 32.50 N ATOM 0 H ARG A 95 -2.097 3.268 2.843 1.00 22.45 H new ATOM 0 HA ARG A 95 -0.082 3.176 0.677 1.00 63.43 H new ATOM 0 HB2 ARG A 95 -0.952 5.277 2.614 1.00 43.11 H new ATOM 0 HB3 ARG A 95 0.785 5.121 2.440 1.00 43.11 H new ATOM 0 HG2 ARG A 95 0.608 5.461 0.009 1.00 22.42 H new ATOM 0 HG3 ARG A 95 -1.140 5.511 0.117 1.00 22.42 H new ATOM 0 HD2 ARG A 95 -1.019 7.538 1.529 1.00 12.54 H new ATOM 0 HD3 ARG A 95 0.732 7.474 1.501 1.00 12.54 H new ATOM 0 HE ARG A 95 -0.430 7.531 -1.176 1.00 0.44 H new ATOM 0 HH11 ARG A 95 0.439 9.498 1.570 1.00 31.42 H new ATOM 0 HH12 ARG A 95 0.729 10.928 0.574 1.00 31.42 H new ATOM 0 HH21 ARG A 95 -0.071 9.317 -2.399 1.00 32.50 H new ATOM 0 HH22 ARG A 95 0.444 10.827 -1.641 1.00 32.50 H new ATOM 949 N TYR A 96 1.535 1.868 1.943 1.00 63.41 N ATOM 950 CA TYR A 96 2.641 1.190 2.626 1.00 31.43 C ATOM 951 C TYR A 96 3.891 2.077 2.639 1.00 31.12 C ATOM 952 O TYR A 96 4.264 2.651 1.618 1.00 62.12 O ATOM 953 CB TYR A 96 2.956 -0.152 1.948 1.00 62.54 C ATOM 954 CG TYR A 96 2.001 -1.264 2.328 1.00 3.03 C ATOM 955 CD1 TYR A 96 0.637 -1.139 2.109 1.00 42.23 C ATOM 956 CD2 TYR A 96 2.468 -2.432 2.920 1.00 10.14 C ATOM 957 CE1 TYR A 96 -0.236 -2.145 2.467 1.00 64.12 C ATOM 958 CE2 TYR A 96 1.601 -3.441 3.281 1.00 50.20 C ATOM 959 CZ TYR A 96 0.253 -3.294 3.051 1.00 42.20 C ATOM 960 OH TYR A 96 -0.612 -4.297 3.416 1.00 40.51 O ATOM 0 H TYR A 96 1.496 1.692 0.939 1.00 63.41 H new ATOM 0 HA TYR A 96 2.336 0.998 3.655 1.00 31.43 H new ATOM 0 HB2 TYR A 96 2.931 -0.017 0.867 1.00 62.54 H new ATOM 0 HB3 TYR A 96 3.971 -0.452 2.209 1.00 62.54 H new ATOM 0 HD1 TYR A 96 0.253 -0.240 1.651 1.00 42.23 H new ATOM 0 HD2 TYR A 96 3.526 -2.551 3.100 1.00 10.14 H new ATOM 0 HE1 TYR A 96 -1.296 -2.033 2.291 1.00 64.12 H new ATOM 0 HE2 TYR A 96 1.978 -4.342 3.742 1.00 50.20 H new ATOM 0 HH TYR A 96 -1.410 -4.264 2.848 1.00 40.51 H new ATOM 970 N ILE A 97 4.523 2.185 3.802 1.00 12.42 N ATOM 971 CA ILE A 97 5.699 3.042 3.968 1.00 11.51 C ATOM 972 C ILE A 97 6.994 2.215 3.982 1.00 33.21 C ATOM 973 O ILE A 97 7.106 1.251 4.739 1.00 41.32 O ATOM 974 CB ILE A 97 5.611 3.854 5.286 1.00 21.52 C ATOM 975 CG1 ILE A 97 4.207 4.472 5.455 1.00 34.15 C ATOM 976 CG2 ILE A 97 6.691 4.935 5.323 1.00 54.11 C ATOM 977 CD1 ILE A 97 3.791 5.407 4.336 1.00 72.23 C ATOM 0 H ILE A 97 4.242 1.690 4.648 1.00 12.42 H new ATOM 0 HA ILE A 97 5.718 3.725 3.119 1.00 11.51 H new ATOM 0 HB ILE A 97 5.782 3.174 6.120 1.00 21.52 H new ATOM 0 HG12 ILE A 97 3.476 3.667 5.529 1.00 34.15 H new ATOM 0 HG13 ILE A 97 4.176 5.018 6.398 1.00 34.15 H new ATOM 0 HG21 ILE A 97 6.614 5.495 6.255 1.00 54.11 H new ATOM 0 HG22 ILE A 97 7.674 4.469 5.260 1.00 54.11 H new ATOM 0 HG23 ILE A 97 6.556 5.613 4.480 1.00 54.11 H new ATOM 0 HD11 ILE A 97 2.792 5.794 4.538 1.00 72.23 H new ATOM 0 HD12 ILE A 97 4.496 6.236 4.274 1.00 72.23 H new ATOM 0 HD13 ILE A 97 3.785 4.864 3.391 1.00 72.23 H new ATOM 989 N TYR A 98 7.969 2.593 3.151 1.00 72.12 N ATOM 990 CA TYR A 98 9.274 1.906 3.112 1.00 22.53 C ATOM 991 C TYR A 98 10.435 2.879 3.357 1.00 22.33 C ATOM 992 O TYR A 98 10.320 4.085 3.136 1.00 63.51 O ATOM 993 CB TYR A 98 9.510 1.215 1.757 1.00 74.32 C ATOM 994 CG TYR A 98 8.457 0.196 1.350 1.00 64.51 C ATOM 995 CD1 TYR A 98 7.179 0.591 0.963 1.00 4.10 C ATOM 996 CD2 TYR A 98 8.750 -1.165 1.339 1.00 72.44 C ATOM 997 CE1 TYR A 98 6.230 -0.336 0.577 1.00 24.40 C ATOM 998 CE2 TYR A 98 7.808 -2.096 0.947 1.00 63.10 C ATOM 999 CZ TYR A 98 6.550 -1.678 0.570 1.00 31.45 C ATOM 1000 OH TYR A 98 5.613 -2.604 0.176 1.00 62.52 O ATOM 0 H TYR A 98 7.885 3.369 2.495 1.00 72.12 H new ATOM 0 HA TYR A 98 9.245 1.161 3.907 1.00 22.53 H new ATOM 0 HB2 TYR A 98 9.568 1.981 0.983 1.00 74.32 H new ATOM 0 HB3 TYR A 98 10.480 0.718 1.786 1.00 74.32 H new ATOM 0 HD1 TYR A 98 6.925 1.641 0.965 1.00 4.10 H new ATOM 0 HD2 TYR A 98 9.731 -1.499 1.642 1.00 72.44 H new ATOM 0 HE1 TYR A 98 5.243 -0.012 0.282 1.00 24.40 H new ATOM 0 HE2 TYR A 98 8.056 -3.147 0.936 1.00 63.10 H new ATOM 0 HH TYR A 98 5.784 -2.868 -0.752 1.00 62.52 H new ATOM 1010 N ASP A 99 11.553 2.330 3.817 1.00 52.14 N ATOM 1011 CA ASP A 99 12.803 3.078 3.928 1.00 62.23 C ATOM 1012 C ASP A 99 13.823 2.539 2.908 1.00 24.30 C ATOM 1013 O ASP A 99 13.789 1.358 2.556 1.00 12.44 O ATOM 1014 CB ASP A 99 13.385 2.942 5.337 1.00 43.40 C ATOM 1015 CG ASP A 99 12.359 3.118 6.439 1.00 61.22 C ATOM 1016 OD1 ASP A 99 11.930 4.262 6.686 1.00 53.21 O ATOM 1017 OD2 ASP A 99 12.010 2.113 7.092 1.00 34.43 O ATOM 0 H ASP A 99 11.621 1.359 4.122 1.00 52.14 H new ATOM 0 HA ASP A 99 12.596 4.129 3.727 1.00 62.23 H new ATOM 0 HB2 ASP A 99 13.847 1.960 5.436 1.00 43.40 H new ATOM 0 HB3 ASP A 99 14.175 3.681 5.467 1.00 43.40 H new ATOM 1022 N LYS A 100 14.734 3.389 2.437 1.00 0.11 N ATOM 1023 CA LYS A 100 15.749 2.947 1.472 1.00 3.13 C ATOM 1024 C LYS A 100 16.876 2.177 2.173 1.00 74.21 C ATOM 1025 O LYS A 100 17.485 2.677 3.123 1.00 14.34 O ATOM 1026 CB LYS A 100 16.325 4.142 0.698 1.00 40.54 C ATOM 1027 CG LYS A 100 17.111 3.738 -0.549 1.00 12.22 C ATOM 1028 CD LYS A 100 17.525 4.950 -1.379 1.00 14.51 C ATOM 1029 CE LYS A 100 18.250 4.538 -2.654 1.00 44.20 C ATOM 1030 NZ LYS A 100 18.638 5.714 -3.473 1.00 33.33 N ATOM 0 H LYS A 100 14.794 4.373 2.700 1.00 0.11 H new ATOM 0 HA LYS A 100 15.263 2.276 0.763 1.00 3.13 H new ATOM 0 HB2 LYS A 100 15.509 4.803 0.405 1.00 40.54 H new ATOM 0 HB3 LYS A 100 16.976 4.713 1.359 1.00 40.54 H new ATOM 0 HG2 LYS A 100 17.999 3.180 -0.253 1.00 12.22 H new ATOM 0 HG3 LYS A 100 16.504 3.070 -1.160 1.00 12.22 H new ATOM 0 HD2 LYS A 100 16.641 5.535 -1.635 1.00 14.51 H new ATOM 0 HD3 LYS A 100 18.172 5.595 -0.784 1.00 14.51 H new ATOM 0 HE2 LYS A 100 19.141 3.965 -2.396 1.00 44.20 H new ATOM 0 HE3 LYS A 100 17.608 3.882 -3.242 1.00 44.20 H new ATOM 0 HZ1 LYS A 100 19.129 5.392 -4.332 1.00 33.33 H new ATOM 0 HZ2 LYS A 100 17.786 6.247 -3.740 1.00 33.33 H new ATOM 0 HZ3 LYS A 100 19.271 6.327 -2.922 1.00 33.33 H new ATOM 1044 N ILE A 101 17.144 0.961 1.700 1.00 13.53 N ATOM 1045 CA ILE A 101 18.162 0.100 2.303 1.00 52.10 C ATOM 1046 C ILE A 101 19.572 0.674 2.113 1.00 40.11 C ATOM 1047 O ILE A 101 20.009 0.922 0.985 1.00 22.20 O ATOM 1048 CB ILE A 101 18.136 -1.324 1.702 1.00 31.51 C ATOM 1049 CG1 ILE A 101 16.730 -1.929 1.814 1.00 32.10 C ATOM 1050 CG2 ILE A 101 19.164 -2.209 2.408 1.00 30.33 C ATOM 1051 CD1 ILE A 101 16.608 -3.327 1.242 1.00 35.01 C ATOM 0 H ILE A 101 16.669 0.548 0.898 1.00 13.53 H new ATOM 0 HA ILE A 101 17.925 0.052 3.366 1.00 52.10 H new ATOM 0 HB ILE A 101 18.396 -1.265 0.645 1.00 31.51 H new ATOM 0 HG12 ILE A 101 16.439 -1.952 2.864 1.00 32.10 H new ATOM 0 HG13 ILE A 101 16.024 -1.276 1.301 1.00 32.10 H new ATOM 0 HG21 ILE A 101 19.139 -3.210 1.978 1.00 30.33 H new ATOM 0 HG22 ILE A 101 20.159 -1.784 2.279 1.00 30.33 H new ATOM 0 HG23 ILE A 101 18.928 -2.264 3.471 1.00 30.33 H new ATOM 0 HD11 ILE A 101 15.584 -3.681 1.361 1.00 35.01 H new ATOM 0 HD12 ILE A 101 16.865 -3.311 0.183 1.00 35.01 H new ATOM 0 HD13 ILE A 101 17.287 -3.997 1.770 1.00 35.01 H new ATOM 1063 N ILE A 102 20.278 0.875 3.216 1.00 33.15 N ATOM 1064 CA ILE A 102 21.660 1.345 3.163 1.00 75.23 C ATOM 1065 C ILE A 102 22.652 0.173 3.224 1.00 11.03 C ATOM 1066 O ILE A 102 22.960 -0.347 4.305 1.00 50.44 O ATOM 1067 CB ILE A 102 21.964 2.349 4.303 1.00 40.23 C ATOM 1068 CG1 ILE A 102 20.968 3.521 4.263 1.00 14.40 C ATOM 1069 CG2 ILE A 102 23.404 2.860 4.212 1.00 13.32 C ATOM 1070 CD1 ILE A 102 20.979 4.301 2.961 1.00 62.44 C ATOM 0 H ILE A 102 19.920 0.721 4.159 1.00 33.15 H new ATOM 0 HA ILE A 102 21.783 1.858 2.209 1.00 75.23 H new ATOM 0 HB ILE A 102 21.851 1.830 5.255 1.00 40.23 H new ATOM 0 HG12 ILE A 102 19.963 3.135 4.434 1.00 14.40 H new ATOM 0 HG13 ILE A 102 21.192 4.202 5.084 1.00 14.40 H new ATOM 0 HG21 ILE A 102 23.592 3.563 5.023 1.00 13.32 H new ATOM 0 HG22 ILE A 102 24.094 2.020 4.292 1.00 13.32 H new ATOM 0 HG23 ILE A 102 23.552 3.361 3.256 1.00 13.32 H new ATOM 0 HD11 ILE A 102 20.249 5.109 3.015 1.00 62.44 H new ATOM 0 HD12 ILE A 102 21.972 4.719 2.796 1.00 62.44 H new ATOM 0 HD13 ILE A 102 20.724 3.636 2.136 1.00 62.44 H new ATOM 1082 N ASP A 103 23.113 -0.246 2.045 1.00 73.35 N ATOM 1083 CA ASP A 103 24.153 -1.278 1.901 1.00 32.42 C ATOM 1084 C ASP A 103 23.668 -2.700 2.260 1.00 53.44 C ATOM 1085 O ASP A 103 22.795 -2.894 3.109 1.00 30.33 O ATOM 1086 CB ASP A 103 25.387 -0.901 2.731 1.00 1.43 C ATOM 1087 CG ASP A 103 26.508 -1.924 2.636 1.00 25.30 C ATOM 1088 OD1 ASP A 103 26.777 -2.420 1.521 1.00 23.31 O ATOM 1089 OD2 ASP A 103 27.118 -2.245 3.678 1.00 12.03 O ATOM 0 H ASP A 103 22.776 0.120 1.155 1.00 73.35 H new ATOM 0 HA ASP A 103 24.415 -1.310 0.844 1.00 32.42 H new ATOM 0 HB2 ASP A 103 25.759 0.068 2.398 1.00 1.43 H new ATOM 0 HB3 ASP A 103 25.094 -0.788 3.775 1.00 1.43 H new ATOM 1094 N VAL A 104 24.257 -3.696 1.590 1.00 51.42 N ATOM 1095 CA VAL A 104 23.948 -5.112 1.842 1.00 72.31 C ATOM 1096 C VAL A 104 25.083 -5.823 2.603 1.00 72.21 C ATOM 1097 O VAL A 104 24.989 -7.011 2.907 1.00 12.11 O ATOM 1098 CB VAL A 104 23.671 -5.864 0.515 1.00 60.11 C ATOM 1099 CG1 VAL A 104 22.432 -5.303 -0.179 1.00 4.11 C ATOM 1100 CG2 VAL A 104 24.888 -5.798 -0.409 1.00 4.41 C ATOM 0 H VAL A 104 24.957 -3.548 0.863 1.00 51.42 H new ATOM 0 HA VAL A 104 23.053 -5.131 2.464 1.00 72.31 H new ATOM 0 HB VAL A 104 23.481 -6.911 0.752 1.00 60.11 H new ATOM 0 HG11 VAL A 104 22.258 -5.846 -1.108 1.00 4.11 H new ATOM 0 HG12 VAL A 104 21.567 -5.415 0.475 1.00 4.11 H new ATOM 0 HG13 VAL A 104 22.586 -4.247 -0.400 1.00 4.11 H new ATOM 0 HG21 VAL A 104 24.672 -6.332 -1.334 1.00 4.41 H new ATOM 0 HG22 VAL A 104 25.116 -4.757 -0.636 1.00 4.41 H new ATOM 0 HG23 VAL A 104 25.744 -6.258 0.084 1.00 4.41 H new ATOM 1110 N SER A 105 26.153 -5.081 2.891 1.00 52.11 N ATOM 1111 CA SER A 105 27.320 -5.595 3.643 1.00 52.54 C ATOM 1112 C SER A 105 28.145 -6.614 2.839 1.00 15.43 C ATOM 1113 O SER A 105 29.027 -7.274 3.387 1.00 51.45 O ATOM 1114 CB SER A 105 26.889 -6.218 4.983 1.00 53.21 C ATOM 1115 OG SER A 105 26.212 -5.275 5.809 1.00 72.21 O ATOM 0 H SER A 105 26.244 -4.104 2.613 1.00 52.11 H new ATOM 0 HA SER A 105 27.957 -4.732 3.835 1.00 52.54 H new ATOM 0 HB2 SER A 105 26.237 -7.071 4.795 1.00 53.21 H new ATOM 0 HB3 SER A 105 27.766 -6.597 5.507 1.00 53.21 H new ATOM 0 HG SER A 105 25.951 -5.705 6.650 1.00 72.21 H new ATOM 1121 N TYR A 106 27.871 -6.727 1.539 1.00 31.34 N ATOM 1122 CA TYR A 106 28.624 -7.634 0.653 1.00 4.33 C ATOM 1123 C TYR A 106 29.727 -6.897 -0.129 1.00 14.21 C ATOM 1124 O TYR A 106 30.339 -7.460 -1.042 1.00 65.10 O ATOM 1125 CB TYR A 106 27.668 -8.339 -0.324 1.00 12.31 C ATOM 1126 CG TYR A 106 26.927 -9.517 0.285 1.00 15.23 C ATOM 1127 CD1 TYR A 106 25.926 -9.323 1.229 1.00 74.02 C ATOM 1128 CD2 TYR A 106 27.237 -10.823 -0.079 1.00 63.41 C ATOM 1129 CE1 TYR A 106 25.257 -10.394 1.795 1.00 12.22 C ATOM 1130 CE2 TYR A 106 26.572 -11.899 0.479 1.00 3.50 C ATOM 1131 CZ TYR A 106 25.584 -11.681 1.416 1.00 44.11 C ATOM 1132 OH TYR A 106 24.919 -12.755 1.977 1.00 74.22 O ATOM 0 H TYR A 106 27.133 -6.203 1.069 1.00 31.34 H new ATOM 0 HA TYR A 106 29.110 -8.376 1.286 1.00 4.33 H new ATOM 0 HB2 TYR A 106 26.941 -7.615 -0.692 1.00 12.31 H new ATOM 0 HB3 TYR A 106 28.236 -8.686 -1.187 1.00 12.31 H new ATOM 0 HD1 TYR A 106 25.665 -8.318 1.526 1.00 74.02 H new ATOM 0 HD2 TYR A 106 28.011 -11.000 -0.811 1.00 63.41 H new ATOM 0 HE1 TYR A 106 24.483 -10.224 2.529 1.00 12.22 H new ATOM 0 HE2 TYR A 106 26.825 -12.906 0.182 1.00 3.50 H new ATOM 0 HH TYR A 106 25.269 -13.589 1.601 1.00 74.22 H new ATOM 1142 N VAL A 107 29.988 -5.649 0.241 1.00 72.41 N ATOM 1143 CA VAL A 107 31.000 -4.835 -0.436 1.00 25.12 C ATOM 1144 C VAL A 107 32.371 -4.947 0.255 1.00 0.22 C ATOM 1145 O VAL A 107 32.458 -5.129 1.471 1.00 14.04 O ATOM 1146 CB VAL A 107 30.575 -3.344 -0.502 1.00 61.50 C ATOM 1147 CG1 VAL A 107 29.295 -3.184 -1.324 1.00 73.11 C ATOM 1148 CG2 VAL A 107 30.396 -2.764 0.902 1.00 44.42 C ATOM 0 H VAL A 107 29.513 -5.174 1.008 1.00 72.41 H new ATOM 0 HA VAL A 107 31.087 -5.223 -1.451 1.00 25.12 H new ATOM 0 HB VAL A 107 31.370 -2.786 -0.997 1.00 61.50 H new ATOM 0 HG11 VAL A 107 29.014 -2.131 -1.358 1.00 73.11 H new ATOM 0 HG12 VAL A 107 29.466 -3.547 -2.337 1.00 73.11 H new ATOM 0 HG13 VAL A 107 28.492 -3.759 -0.863 1.00 73.11 H new ATOM 0 HG21 VAL A 107 30.098 -1.718 0.828 1.00 44.42 H new ATOM 0 HG22 VAL A 107 29.625 -3.324 1.432 1.00 44.42 H new ATOM 0 HG23 VAL A 107 31.337 -2.836 1.448 1.00 44.42 H new ATOM 1158 N ASP A 108 33.438 -4.802 -0.524 1.00 53.42 N ATOM 1159 CA ASP A 108 34.814 -4.978 -0.025 1.00 43.23 C ATOM 1160 C ASP A 108 35.350 -3.714 0.677 1.00 41.31 C ATOM 1161 O ASP A 108 36.563 -3.484 0.728 1.00 10.34 O ATOM 1162 CB ASP A 108 35.732 -5.352 -1.193 1.00 34.33 C ATOM 1163 CG ASP A 108 35.192 -6.527 -1.983 1.00 25.23 C ATOM 1164 OD1 ASP A 108 35.140 -7.646 -1.437 1.00 1.53 O ATOM 1165 OD2 ASP A 108 34.785 -6.334 -3.148 1.00 30.51 O ATOM 0 H ASP A 108 33.384 -4.561 -1.514 1.00 53.42 H new ATOM 0 HA ASP A 108 34.799 -5.776 0.717 1.00 43.23 H new ATOM 0 HB2 ASP A 108 35.847 -4.493 -1.854 1.00 34.33 H new ATOM 0 HB3 ASP A 108 36.724 -5.596 -0.812 1.00 34.33 H new ATOM 1170 N GLU A 109 34.450 -2.912 1.240 1.00 34.43 N ATOM 1171 CA GLU A 109 34.834 -1.651 1.892 1.00 11.12 C ATOM 1172 C GLU A 109 34.462 -1.633 3.388 1.00 20.15 C ATOM 1173 O GLU A 109 35.029 -0.862 4.164 1.00 3.14 O ATOM 1174 CB GLU A 109 34.169 -0.472 1.164 1.00 62.05 C ATOM 1175 CG GLU A 109 34.597 0.902 1.675 1.00 31.11 C ATOM 1176 CD GLU A 109 33.983 2.038 0.871 1.00 54.00 C ATOM 1177 OE1 GLU A 109 34.564 2.419 -0.168 1.00 1.11 O ATOM 1178 OE2 GLU A 109 32.914 2.547 1.266 1.00 65.23 O ATOM 0 H GLU A 109 33.449 -3.108 1.261 1.00 34.43 H new ATOM 0 HA GLU A 109 35.918 -1.560 1.830 1.00 11.12 H new ATOM 0 HB2 GLU A 109 34.400 -0.540 0.101 1.00 62.05 H new ATOM 0 HB3 GLU A 109 33.087 -0.563 1.262 1.00 62.05 H new ATOM 0 HG2 GLU A 109 34.308 1.004 2.721 1.00 31.11 H new ATOM 0 HG3 GLU A 109 35.684 0.979 1.636 1.00 31.11 H new ATOM 1185 N THR A 110 33.525 -2.492 3.791 1.00 51.12 N ATOM 1186 CA THR A 110 33.050 -2.524 5.186 1.00 1.20 C ATOM 1187 C THR A 110 34.060 -3.209 6.119 1.00 44.54 C ATOM 1188 O THR A 110 34.675 -2.563 6.972 1.00 52.54 O ATOM 1189 CB THR A 110 31.683 -3.246 5.308 1.00 35.24 C ATOM 1190 OG1 THR A 110 31.790 -4.592 4.817 1.00 34.22 O ATOM 1191 CG2 THR A 110 30.596 -2.509 4.532 1.00 71.11 C ATOM 0 H THR A 110 33.078 -3.174 3.179 1.00 51.12 H new ATOM 0 HA THR A 110 32.935 -1.484 5.490 1.00 1.20 H new ATOM 0 HB THR A 110 31.407 -3.259 6.362 1.00 35.24 H new ATOM 0 HG1 THR A 110 30.922 -5.040 4.900 1.00 34.22 H new ATOM 0 HG21 THR A 110 29.650 -3.040 4.637 1.00 71.11 H new ATOM 0 HG22 THR A 110 30.490 -1.498 4.925 1.00 71.11 H new ATOM 0 HG23 THR A 110 30.870 -2.462 3.478 1.00 71.11 H new ATOM 1199 N GLY A 111 34.226 -4.516 5.950 1.00 61.13 N ATOM 1200 CA GLY A 111 35.146 -5.279 6.785 1.00 33.42 C ATOM 1201 C GLY A 111 35.178 -6.753 6.405 1.00 43.21 C ATOM 1202 O GLY A 111 36.046 -7.181 5.663 1.00 41.34 O ATOM 0 H GLY A 111 33.737 -5.068 5.245 1.00 61.13 H new ATOM 0 HA2 GLY A 111 36.148 -4.860 6.695 1.00 33.42 H new ATOM 0 HA3 GLY A 111 34.852 -5.181 7.830 1.00 33.42 H new ATOM 1206 N LYS A 112 34.233 -7.522 6.934 1.00 73.13 N ATOM 1207 CA LYS A 112 34.046 -8.941 6.575 1.00 4.44 C ATOM 1208 C LYS A 112 35.345 -9.773 6.655 1.00 50.40 C ATOM 1209 O LYS A 112 35.570 -10.504 7.621 1.00 1.32 O ATOM 1210 CB LYS A 112 33.427 -9.065 5.170 1.00 43.41 C ATOM 1211 CG LYS A 112 32.043 -8.424 5.039 1.00 52.54 C ATOM 1212 CD LYS A 112 31.026 -9.060 5.988 1.00 13.25 C ATOM 1213 CE LYS A 112 30.868 -10.556 5.741 1.00 40.42 C ATOM 1214 NZ LYS A 112 29.858 -11.160 6.647 1.00 13.33 N ATOM 0 H LYS A 112 33.566 -7.186 7.629 1.00 73.13 H new ATOM 0 HA LYS A 112 33.364 -9.354 7.319 1.00 4.44 H new ATOM 0 HB2 LYS A 112 34.099 -8.604 4.446 1.00 43.41 H new ATOM 0 HB3 LYS A 112 33.353 -10.121 4.909 1.00 43.41 H new ATOM 0 HG2 LYS A 112 32.116 -7.357 5.248 1.00 52.54 H new ATOM 0 HG3 LYS A 112 31.693 -8.524 4.012 1.00 52.54 H new ATOM 0 HD2 LYS A 112 31.340 -8.894 7.019 1.00 13.25 H new ATOM 0 HD3 LYS A 112 30.061 -8.569 5.866 1.00 13.25 H new ATOM 0 HE2 LYS A 112 30.574 -10.724 4.705 1.00 40.42 H new ATOM 0 HE3 LYS A 112 31.828 -11.052 5.885 1.00 40.42 H new ATOM 0 HZ1 LYS A 112 29.779 -12.178 6.449 1.00 13.33 H new ATOM 0 HZ2 LYS A 112 30.151 -11.021 7.635 1.00 13.33 H new ATOM 0 HZ3 LYS A 112 28.936 -10.704 6.492 1.00 13.33 H new ATOM 1228 N ASP A 113 36.198 -9.659 5.634 1.00 41.44 N ATOM 1229 CA ASP A 113 37.404 -10.489 5.533 1.00 23.25 C ATOM 1230 C ASP A 113 38.658 -9.648 5.222 1.00 34.11 C ATOM 1231 O ASP A 113 39.692 -10.169 4.799 1.00 71.21 O ATOM 1232 CB ASP A 113 37.174 -11.561 4.459 1.00 40.40 C ATOM 1233 CG ASP A 113 38.226 -12.650 4.470 1.00 11.13 C ATOM 1234 OD1 ASP A 113 38.265 -13.422 5.448 1.00 3.41 O ATOM 1235 OD2 ASP A 113 39.006 -12.751 3.496 1.00 33.32 O ATOM 0 H ASP A 113 36.077 -9.000 4.865 1.00 41.44 H new ATOM 0 HA ASP A 113 37.587 -10.966 6.496 1.00 23.25 H new ATOM 0 HB2 ASP A 113 36.193 -12.011 4.608 1.00 40.40 H new ATOM 0 HB3 ASP A 113 37.161 -11.087 3.478 1.00 40.40 H new ATOM 1240 N LEU A 114 38.563 -8.351 5.468 1.00 71.05 N ATOM 1241 CA LEU A 114 39.666 -7.417 5.212 1.00 32.54 C ATOM 1242 C LEU A 114 40.343 -7.004 6.526 1.00 24.45 C ATOM 1243 O LEU A 114 40.206 -7.673 7.554 1.00 1.04 O ATOM 1244 CB LEU A 114 39.115 -6.162 4.532 1.00 64.52 C ATOM 1245 CG LEU A 114 37.907 -6.386 3.615 1.00 52.20 C ATOM 1246 CD1 LEU A 114 37.086 -5.116 3.524 1.00 34.15 C ATOM 1247 CD2 LEU A 114 38.332 -6.860 2.235 1.00 72.24 C ATOM 0 H LEU A 114 37.726 -7.910 5.849 1.00 71.05 H new ATOM 0 HA LEU A 114 40.397 -7.911 4.573 1.00 32.54 H new ATOM 0 HB2 LEU A 114 38.836 -5.445 5.304 1.00 64.52 H new ATOM 0 HB3 LEU A 114 39.914 -5.706 3.947 1.00 64.52 H new ATOM 0 HG LEU A 114 37.291 -7.174 4.048 1.00 52.20 H new ATOM 0 HD11 LEU A 114 36.229 -5.283 2.871 1.00 34.15 H new ATOM 0 HD12 LEU A 114 36.736 -4.837 4.518 1.00 34.15 H new ATOM 0 HD13 LEU A 114 37.701 -4.313 3.118 1.00 34.15 H new ATOM 0 HD21 LEU A 114 37.449 -7.008 1.613 1.00 72.24 H new ATOM 0 HD22 LEU A 114 38.978 -6.111 1.776 1.00 72.24 H new ATOM 0 HD23 LEU A 114 38.875 -7.801 2.325 1.00 72.24 H new ATOM 1259 N LEU A 115 41.085 -5.901 6.481 1.00 22.41 N ATOM 1260 CA LEU A 115 41.573 -5.254 7.696 1.00 20.41 C ATOM 1261 C LEU A 115 40.620 -4.132 8.142 1.00 14.43 C ATOM 1262 O LEU A 115 40.477 -3.118 7.455 1.00 64.54 O ATOM 1263 CB LEU A 115 42.990 -4.689 7.492 1.00 32.53 C ATOM 1264 CG LEU A 115 44.115 -5.735 7.427 1.00 42.12 C ATOM 1265 CD1 LEU A 115 45.465 -5.068 7.170 1.00 40.24 C ATOM 1266 CD2 LEU A 115 44.155 -6.556 8.716 1.00 52.33 C ATOM 0 H LEU A 115 41.362 -5.436 5.616 1.00 22.41 H new ATOM 0 HA LEU A 115 41.611 -6.012 8.478 1.00 20.41 H new ATOM 0 HB2 LEU A 115 43.002 -4.110 6.569 1.00 32.53 H new ATOM 0 HB3 LEU A 115 43.207 -3.997 8.306 1.00 32.53 H new ATOM 0 HG LEU A 115 43.908 -6.408 6.595 1.00 42.12 H new ATOM 0 HD11 LEU A 115 46.245 -5.829 7.128 1.00 40.24 H new ATOM 0 HD12 LEU A 115 45.431 -4.531 6.222 1.00 40.24 H new ATOM 0 HD13 LEU A 115 45.684 -4.368 7.976 1.00 40.24 H new ATOM 0 HD21 LEU A 115 44.957 -7.292 8.654 1.00 52.33 H new ATOM 0 HD22 LEU A 115 44.335 -5.894 9.563 1.00 52.33 H new ATOM 0 HD23 LEU A 115 43.202 -7.068 8.851 1.00 52.33 H new ATOM 1278 N PRO A 116 39.941 -4.306 9.293 1.00 1.21 N ATOM 1279 CA PRO A 116 39.070 -3.262 9.854 1.00 63.44 C ATOM 1280 C PRO A 116 39.881 -2.057 10.360 1.00 73.52 C ATOM 1281 O PRO A 116 40.547 -2.130 11.395 1.00 42.34 O ATOM 1282 CB PRO A 116 38.358 -3.976 11.016 1.00 14.11 C ATOM 1283 CG PRO A 116 39.282 -5.081 11.405 1.00 43.42 C ATOM 1284 CD PRO A 116 39.961 -5.524 10.133 1.00 63.42 C ATOM 0 HA PRO A 116 38.381 -2.852 9.116 1.00 63.44 H new ATOM 0 HB2 PRO A 116 38.181 -3.296 11.849 1.00 14.11 H new ATOM 0 HB3 PRO A 116 37.387 -4.362 10.708 1.00 14.11 H new ATOM 0 HG2 PRO A 116 40.012 -4.739 12.138 1.00 43.42 H new ATOM 0 HG3 PRO A 116 38.734 -5.905 11.862 1.00 43.42 H new ATOM 0 HD2 PRO A 116 40.979 -5.867 10.319 1.00 63.42 H new ATOM 0 HD3 PRO A 116 39.428 -6.348 9.659 1.00 63.42 H new ATOM 1292 N VAL A 117 39.843 -0.953 9.611 1.00 23.41 N ATOM 1293 CA VAL A 117 40.617 0.242 9.965 1.00 20.23 C ATOM 1294 C VAL A 117 40.064 0.915 11.231 1.00 54.03 C ATOM 1295 O VAL A 117 39.314 1.891 11.173 1.00 52.15 O ATOM 1296 CB VAL A 117 40.645 1.271 8.813 1.00 70.20 C ATOM 1297 CG1 VAL A 117 41.567 2.447 9.147 1.00 72.44 C ATOM 1298 CG2 VAL A 117 41.054 0.610 7.495 1.00 41.32 C ATOM 0 H VAL A 117 39.288 -0.860 8.760 1.00 23.41 H new ATOM 0 HA VAL A 117 41.635 -0.097 10.156 1.00 20.23 H new ATOM 0 HB VAL A 117 39.635 1.663 8.691 1.00 70.20 H new ATOM 0 HG11 VAL A 117 41.567 3.156 8.319 1.00 72.44 H new ATOM 0 HG12 VAL A 117 41.211 2.944 10.049 1.00 72.44 H new ATOM 0 HG13 VAL A 117 42.580 2.080 9.311 1.00 72.44 H new ATOM 0 HG21 VAL A 117 41.065 1.357 6.701 1.00 41.32 H new ATOM 0 HG22 VAL A 117 42.048 0.176 7.599 1.00 41.32 H new ATOM 0 HG23 VAL A 117 40.340 -0.175 7.244 1.00 41.32 H new ATOM 1308 N VAL A 118 40.417 0.345 12.363 1.00 61.25 N ATOM 1309 CA VAL A 118 40.054 0.879 13.682 1.00 44.33 C ATOM 1310 C VAL A 118 41.318 1.174 14.502 1.00 34.14 C ATOM 1311 O VAL A 118 42.422 1.203 13.958 1.00 54.23 O ATOM 1312 CB VAL A 118 39.148 -0.110 14.466 1.00 41.53 C ATOM 1313 CG1 VAL A 118 37.829 -0.335 13.733 1.00 13.55 C ATOM 1314 CG2 VAL A 118 39.863 -1.440 14.703 1.00 3.31 C ATOM 0 H VAL A 118 40.970 -0.511 12.407 1.00 61.25 H new ATOM 0 HA VAL A 118 39.497 1.802 13.521 1.00 44.33 H new ATOM 0 HB VAL A 118 38.930 0.336 15.437 1.00 41.53 H new ATOM 0 HG11 VAL A 118 37.211 -1.031 14.301 1.00 13.55 H new ATOM 0 HG12 VAL A 118 37.304 0.615 13.629 1.00 13.55 H new ATOM 0 HG13 VAL A 118 38.028 -0.750 12.745 1.00 13.55 H new ATOM 0 HG21 VAL A 118 39.206 -2.113 15.254 1.00 3.31 H new ATOM 0 HG22 VAL A 118 40.122 -1.890 13.744 1.00 3.31 H new ATOM 0 HG23 VAL A 118 40.771 -1.267 15.280 1.00 3.31 H new ATOM 1324 N GLU A 119 41.167 1.410 15.800 1.00 24.32 N ATOM 1325 CA GLU A 119 42.324 1.640 16.666 1.00 12.22 C ATOM 1326 C GLU A 119 43.124 0.354 16.898 1.00 75.14 C ATOM 1327 O GLU A 119 42.941 -0.353 17.888 1.00 11.52 O ATOM 1328 CB GLU A 119 41.899 2.256 17.997 1.00 71.32 C ATOM 1329 CG GLU A 119 41.549 3.733 17.895 1.00 63.14 C ATOM 1330 CD GLU A 119 40.430 4.032 16.906 1.00 4.21 C ATOM 1331 OE1 GLU A 119 39.394 3.333 16.929 1.00 62.22 O ATOM 1332 OE2 GLU A 119 40.581 4.972 16.099 1.00 75.22 O ATOM 0 H GLU A 119 40.265 1.448 16.275 1.00 24.32 H new ATOM 0 HA GLU A 119 42.976 2.347 16.152 1.00 12.22 H new ATOM 0 HB2 GLU A 119 41.037 1.712 18.382 1.00 71.32 H new ATOM 0 HB3 GLU A 119 42.704 2.130 18.721 1.00 71.32 H new ATOM 0 HG2 GLU A 119 41.257 4.097 18.880 1.00 63.14 H new ATOM 0 HG3 GLU A 119 42.439 4.289 17.601 1.00 63.14 H new ATOM 1339 N ILE A 120 44.011 0.067 15.964 1.00 23.42 N ATOM 1340 CA ILE A 120 44.875 -1.120 16.031 1.00 63.31 C ATOM 1341 C ILE A 120 46.199 -0.752 16.721 1.00 13.20 C ATOM 1342 O ILE A 120 47.293 -1.094 16.263 1.00 52.42 O ATOM 1343 CB ILE A 120 45.137 -1.694 14.608 1.00 11.20 C ATOM 1344 CG1 ILE A 120 43.809 -1.826 13.838 1.00 14.10 C ATOM 1345 CG2 ILE A 120 45.839 -3.054 14.687 1.00 13.33 C ATOM 1346 CD1 ILE A 120 43.968 -2.318 12.416 1.00 21.14 C ATOM 0 H ILE A 120 44.161 0.642 15.135 1.00 23.42 H new ATOM 0 HA ILE A 120 44.372 -1.892 16.613 1.00 63.31 H new ATOM 0 HB ILE A 120 45.791 -1.003 14.076 1.00 11.20 H new ATOM 0 HG12 ILE A 120 43.155 -2.511 14.377 1.00 14.10 H new ATOM 0 HG13 ILE A 120 43.312 -0.856 13.822 1.00 14.10 H new ATOM 0 HG21 ILE A 120 46.011 -3.434 13.680 1.00 13.33 H new ATOM 0 HG22 ILE A 120 46.794 -2.941 15.200 1.00 13.33 H new ATOM 0 HG23 ILE A 120 45.212 -3.756 15.237 1.00 13.33 H new ATOM 0 HD11 ILE A 120 42.989 -2.384 11.942 1.00 21.14 H new ATOM 0 HD12 ILE A 120 44.595 -1.622 11.858 1.00 21.14 H new ATOM 0 HD13 ILE A 120 44.435 -3.303 12.422 1.00 21.14 H new ATOM 1358 N ILE A 121 46.075 -0.063 17.851 1.00 74.24 N ATOM 1359 CA ILE A 121 47.225 0.514 18.548 1.00 1.24 C ATOM 1360 C ILE A 121 48.147 -0.549 19.159 1.00 43.01 C ATOM 1361 O ILE A 121 49.370 -0.429 19.076 1.00 31.31 O ATOM 1362 CB ILE A 121 46.767 1.503 19.651 1.00 35.42 C ATOM 1363 CG1 ILE A 121 45.893 0.793 20.703 1.00 70.42 C ATOM 1364 CG2 ILE A 121 46.014 2.678 19.024 1.00 24.31 C ATOM 1365 CD1 ILE A 121 45.483 1.675 21.863 1.00 31.30 C ATOM 0 H ILE A 121 45.181 0.112 18.309 1.00 74.24 H new ATOM 0 HA ILE A 121 47.798 1.051 17.792 1.00 1.24 H new ATOM 0 HB ILE A 121 47.652 1.886 20.159 1.00 35.42 H new ATOM 0 HG12 ILE A 121 44.996 0.411 20.216 1.00 70.42 H new ATOM 0 HG13 ILE A 121 46.437 -0.069 21.090 1.00 70.42 H new ATOM 0 HG21 ILE A 121 45.697 3.366 19.807 1.00 24.31 H new ATOM 0 HG22 ILE A 121 46.669 3.199 18.326 1.00 24.31 H new ATOM 0 HG23 ILE A 121 45.139 2.306 18.491 1.00 24.31 H new ATOM 0 HD11 ILE A 121 44.871 1.101 22.558 1.00 31.30 H new ATOM 0 HD12 ILE A 121 46.373 2.037 22.377 1.00 31.30 H new ATOM 0 HD13 ILE A 121 44.910 2.524 21.490 1.00 31.30 H new ATOM 1377 N ASN A 122 47.558 -1.586 19.761 1.00 21.35 N ATOM 1378 CA ASN A 122 48.326 -2.644 20.443 1.00 20.01 C ATOM 1379 C ASN A 122 49.288 -2.063 21.504 1.00 53.12 C ATOM 1380 O ASN A 122 49.167 -0.902 21.900 1.00 22.02 O ATOM 1381 CB ASN A 122 49.093 -3.492 19.416 1.00 10.44 C ATOM 1382 CG ASN A 122 48.165 -4.283 18.508 1.00 24.41 C ATOM 1383 OD1 ASN A 122 47.816 -5.427 18.793 1.00 12.44 O ATOM 1384 ND2 ASN A 122 47.749 -3.685 17.408 1.00 53.23 N ATOM 0 H ASN A 122 46.547 -1.720 19.793 1.00 21.35 H new ATOM 0 HA ASN A 122 47.617 -3.284 20.968 1.00 20.01 H new ATOM 0 HB2 ASN A 122 49.723 -2.841 18.809 1.00 10.44 H new ATOM 0 HB3 ASN A 122 49.757 -4.180 19.940 1.00 10.44 H new ATOM 0 HD21 ASN A 122 47.121 -4.173 16.769 1.00 53.23 H new ATOM 0 HD22 ASN A 122 48.055 -2.735 17.197 1.00 53.23 H new ATOM 1391 N SER A 123 50.232 -2.879 21.977 1.00 5.21 N ATOM 1392 CA SER A 123 51.183 -2.440 23.012 1.00 25.21 C ATOM 1393 C SER A 123 52.588 -3.020 22.797 1.00 63.40 C ATOM 1394 O SER A 123 53.512 -2.307 22.409 1.00 31.53 O ATOM 1395 CB SER A 123 50.674 -2.832 24.407 1.00 51.30 C ATOM 1396 OG SER A 123 51.608 -2.478 25.420 1.00 52.40 O ATOM 0 H SER A 123 50.362 -3.842 21.666 1.00 5.21 H new ATOM 0 HA SER A 123 51.255 -1.355 22.936 1.00 25.21 H new ATOM 0 HB2 SER A 123 49.721 -2.339 24.600 1.00 51.30 H new ATOM 0 HB3 SER A 123 50.489 -3.906 24.440 1.00 51.30 H new ATOM 0 HG SER A 123 51.255 -2.739 26.296 1.00 52.40 H new ATOM 1402 N GLU A 124 52.736 -4.322 23.031 1.00 2.25 N ATOM 1403 CA GLU A 124 54.049 -4.982 23.003 1.00 1.53 C ATOM 1404 C GLU A 124 54.651 -5.017 21.584 1.00 12.04 C ATOM 1405 O GLU A 124 55.678 -4.386 21.320 1.00 5.44 O ATOM 1406 CB GLU A 124 53.920 -6.403 23.574 1.00 32.52 C ATOM 1407 CG GLU A 124 55.244 -7.152 23.714 1.00 45.14 C ATOM 1408 CD GLU A 124 55.087 -8.480 24.441 1.00 2.43 C ATOM 1409 OE1 GLU A 124 55.144 -8.488 25.690 1.00 31.20 O ATOM 1410 OE2 GLU A 124 54.885 -9.516 23.772 1.00 1.55 O ATOM 0 H GLU A 124 51.960 -4.949 23.244 1.00 2.25 H new ATOM 0 HA GLU A 124 54.733 -4.401 23.621 1.00 1.53 H new ATOM 0 HB2 GLU A 124 53.444 -6.346 24.553 1.00 32.52 H new ATOM 0 HB3 GLU A 124 53.257 -6.981 22.930 1.00 32.52 H new ATOM 0 HG2 GLU A 124 55.663 -7.331 22.724 1.00 45.14 H new ATOM 0 HG3 GLU A 124 55.956 -6.528 24.254 1.00 45.14 H new ATOM 1417 N ALA A 125 54.006 -5.733 20.667 1.00 33.14 N ATOM 1418 CA ALA A 125 54.513 -5.866 19.292 1.00 3.02 C ATOM 1419 C ALA A 125 54.179 -4.642 18.416 1.00 4.23 C ATOM 1420 O ALA A 125 54.399 -4.653 17.205 1.00 30.22 O ATOM 1421 CB ALA A 125 53.956 -7.135 18.658 1.00 74.40 C ATOM 0 H ALA A 125 53.134 -6.231 20.844 1.00 33.14 H new ATOM 0 HA ALA A 125 55.600 -5.927 19.350 1.00 3.02 H new ATOM 0 HB1 ALA A 125 54.334 -7.229 17.640 1.00 74.40 H new ATOM 0 HB2 ALA A 125 54.268 -8.001 19.242 1.00 74.40 H new ATOM 0 HB3 ALA A 125 52.867 -7.084 18.637 1.00 74.40 H new ATOM 1427 N ALA A 126 53.677 -3.577 19.036 1.00 44.15 N ATOM 1428 CA ALA A 126 53.260 -2.370 18.305 1.00 23.22 C ATOM 1429 C ALA A 126 54.432 -1.416 18.020 1.00 23.34 C ATOM 1430 O ALA A 126 54.243 -0.347 17.443 1.00 74.35 O ATOM 1431 CB ALA A 126 52.182 -1.642 19.093 1.00 10.22 C ATOM 0 H ALA A 126 53.546 -3.520 20.046 1.00 44.15 H new ATOM 0 HA ALA A 126 52.869 -2.694 17.341 1.00 23.22 H new ATOM 0 HB1 ALA A 126 51.875 -0.748 18.550 1.00 10.22 H new ATOM 0 HB2 ALA A 126 51.323 -2.299 19.226 1.00 10.22 H new ATOM 0 HB3 ALA A 126 52.575 -1.356 20.069 1.00 10.22 H new ATOM 1437 N VAL A 127 55.640 -1.808 18.411 1.00 22.33 N ATOM 1438 CA VAL A 127 56.825 -0.943 18.280 1.00 44.32 C ATOM 1439 C VAL A 127 57.671 -1.271 17.034 1.00 52.43 C ATOM 1440 O VAL A 127 58.836 -0.871 16.937 1.00 13.32 O ATOM 1441 CB VAL A 127 57.713 -1.052 19.542 1.00 20.03 C ATOM 1442 CG1 VAL A 127 56.961 -0.528 20.760 1.00 62.32 C ATOM 1443 CG2 VAL A 127 58.170 -2.495 19.762 1.00 64.40 C ATOM 0 H VAL A 127 55.833 -2.721 18.823 1.00 22.33 H new ATOM 0 HA VAL A 127 56.453 0.075 18.167 1.00 44.32 H new ATOM 0 HB VAL A 127 58.603 -0.439 19.395 1.00 20.03 H new ATOM 0 HG11 VAL A 127 57.596 -0.610 21.642 1.00 62.32 H new ATOM 0 HG12 VAL A 127 56.694 0.517 20.601 1.00 62.32 H new ATOM 0 HG13 VAL A 127 56.055 -1.116 20.909 1.00 62.32 H new ATOM 0 HG21 VAL A 127 58.793 -2.547 20.655 1.00 64.40 H new ATOM 0 HG22 VAL A 127 57.299 -3.137 19.889 1.00 64.40 H new ATOM 0 HG23 VAL A 127 58.745 -2.830 18.899 1.00 64.40 H new ATOM 1453 N LEU A 128 57.077 -1.978 16.077 1.00 74.23 N ATOM 1454 CA LEU A 128 57.782 -2.384 14.852 1.00 4.02 C ATOM 1455 C LEU A 128 57.806 -1.268 13.788 1.00 15.13 C ATOM 1456 O LEU A 128 58.824 -1.057 13.123 1.00 1.32 O ATOM 1457 CB LEU A 128 57.119 -3.638 14.259 1.00 34.51 C ATOM 1458 CG LEU A 128 57.091 -4.872 15.177 1.00 33.21 C ATOM 1459 CD1 LEU A 128 56.335 -6.022 14.514 1.00 71.44 C ATOM 1460 CD2 LEU A 128 58.508 -5.302 15.547 1.00 1.44 C ATOM 0 H LEU A 128 56.105 -2.286 16.121 1.00 74.23 H new ATOM 0 HA LEU A 128 58.814 -2.596 15.132 1.00 4.02 H new ATOM 0 HB2 LEU A 128 56.094 -3.389 13.983 1.00 34.51 H new ATOM 0 HB3 LEU A 128 57.641 -3.903 13.340 1.00 34.51 H new ATOM 0 HG LEU A 128 56.566 -4.602 16.093 1.00 33.21 H new ATOM 0 HD11 LEU A 128 56.327 -6.885 15.180 1.00 71.44 H new ATOM 0 HD12 LEU A 128 55.310 -5.713 14.309 1.00 71.44 H new ATOM 0 HD13 LEU A 128 56.827 -6.290 13.579 1.00 71.44 H new ATOM 0 HD21 LEU A 128 58.465 -6.176 16.197 1.00 1.44 H new ATOM 0 HD22 LEU A 128 59.061 -5.550 14.641 1.00 1.44 H new ATOM 0 HD23 LEU A 128 59.011 -4.487 16.068 1.00 1.44 H new ATOM 1472 N GLU A 129 56.683 -0.551 13.658 1.00 75.14 N ATOM 1473 CA GLU A 129 56.451 0.398 12.550 1.00 71.11 C ATOM 1474 C GLU A 129 56.363 -0.334 11.195 1.00 4.14 C ATOM 1475 O GLU A 129 57.293 -1.026 10.786 1.00 12.43 O ATOM 1476 CB GLU A 129 57.541 1.481 12.483 1.00 34.43 C ATOM 1477 CG GLU A 129 57.289 2.526 11.396 1.00 53.24 C ATOM 1478 CD GLU A 129 58.466 3.466 11.180 1.00 30.25 C ATOM 1479 OE1 GLU A 129 58.627 4.426 11.964 1.00 11.42 O ATOM 1480 OE2 GLU A 129 59.229 3.256 10.214 1.00 4.10 O ATOM 0 H GLU A 129 55.906 -0.609 14.316 1.00 75.14 H new ATOM 0 HA GLU A 129 55.497 0.885 12.753 1.00 71.11 H new ATOM 0 HB2 GLU A 129 57.607 1.981 13.449 1.00 34.43 H new ATOM 0 HB3 GLU A 129 58.505 1.006 12.304 1.00 34.43 H new ATOM 0 HG2 GLU A 129 57.062 2.018 10.459 1.00 53.24 H new ATOM 0 HG3 GLU A 129 56.409 3.112 11.662 1.00 53.24 H new ATOM 1487 N HIS A 130 55.240 -0.167 10.494 1.00 2.24 N ATOM 1488 CA HIS A 130 55.029 -0.835 9.197 1.00 52.31 C ATOM 1489 C HIS A 130 55.783 -0.147 8.038 1.00 51.43 C ATOM 1490 O HIS A 130 55.671 -0.571 6.886 1.00 61.04 O ATOM 1491 CB HIS A 130 53.524 -0.933 8.877 1.00 23.31 C ATOM 1492 CG HIS A 130 52.756 0.350 9.047 1.00 70.14 C ATOM 1493 ND1 HIS A 130 51.533 0.411 9.684 1.00 71.11 N ATOM 1494 CD2 HIS A 130 53.030 1.621 8.659 1.00 43.21 C ATOM 1495 CE1 HIS A 130 51.093 1.653 9.680 1.00 24.52 C ATOM 1496 NE2 HIS A 130 51.980 2.404 9.067 1.00 54.11 N ATOM 0 H HIS A 130 54.463 0.421 10.796 1.00 2.24 H new ATOM 0 HA HIS A 130 55.443 -1.839 9.291 1.00 52.31 H new ATOM 0 HB2 HIS A 130 53.407 -1.276 7.849 1.00 23.31 H new ATOM 0 HB3 HIS A 130 53.080 -1.693 9.519 1.00 23.31 H new ATOM 0 HD2 HIS A 130 53.910 1.954 8.128 1.00 43.21 H new ATOM 0 HE1 HIS A 130 50.162 1.995 10.108 1.00 24.52 H new ATOM 0 HE2 HIS A 130 51.900 3.410 8.918 1.00 54.11 H new ATOM 1505 N HIS A 131 56.537 0.916 8.349 1.00 13.12 N ATOM 1506 CA HIS A 131 57.363 1.623 7.353 1.00 43.32 C ATOM 1507 C HIS A 131 56.582 1.949 6.061 1.00 32.20 C ATOM 1508 O HIS A 131 56.968 1.524 4.970 1.00 74.41 O ATOM 1509 CB HIS A 131 58.607 0.786 7.006 1.00 4.12 C ATOM 1510 CG HIS A 131 59.543 0.561 8.158 1.00 31.23 C ATOM 1511 ND1 HIS A 131 59.301 -0.353 9.160 1.00 14.11 N ATOM 1512 CD2 HIS A 131 60.738 1.126 8.455 1.00 22.44 C ATOM 1513 CE1 HIS A 131 60.299 -0.339 10.018 1.00 42.24 C ATOM 1514 NE2 HIS A 131 61.185 0.547 9.617 1.00 22.13 N ATOM 0 H HIS A 131 56.594 1.310 9.288 1.00 13.12 H new ATOM 0 HA HIS A 131 57.663 2.569 7.803 1.00 43.32 H new ATOM 0 HB2 HIS A 131 58.284 -0.181 6.622 1.00 4.12 H new ATOM 0 HB3 HIS A 131 59.151 1.282 6.203 1.00 4.12 H new ATOM 0 HD1 HIS A 131 58.476 -0.949 9.227 1.00 14.11 H new ATOM 0 HD2 HIS A 131 61.245 1.890 7.884 1.00 22.44 H new ATOM 0 HE1 HIS A 131 60.377 -0.952 10.903 1.00 42.24 H new ATOM 1523 N HIS A 132 55.487 2.699 6.176 1.00 20.42 N ATOM 1524 CA HIS A 132 54.666 3.023 5.003 1.00 30.31 C ATOM 1525 C HIS A 132 55.317 4.146 4.178 1.00 42.31 C ATOM 1526 O HIS A 132 55.854 3.902 3.101 1.00 13.44 O ATOM 1527 CB HIS A 132 53.245 3.420 5.429 1.00 44.42 C ATOM 1528 CG HIS A 132 52.281 3.547 4.283 1.00 5.35 C ATOM 1529 ND1 HIS A 132 51.479 2.509 3.856 1.00 72.25 N ATOM 1530 CD2 HIS A 132 51.999 4.593 3.465 1.00 44.41 C ATOM 1531 CE1 HIS A 132 50.750 2.909 2.833 1.00 20.44 C ATOM 1532 NE2 HIS A 132 51.046 4.165 2.577 1.00 3.32 N ATOM 0 H HIS A 132 55.148 3.091 7.055 1.00 20.42 H new ATOM 0 HA HIS A 132 54.600 2.133 4.377 1.00 30.31 H new ATOM 0 HB2 HIS A 132 52.865 2.677 6.130 1.00 44.42 H new ATOM 0 HB3 HIS A 132 53.288 4.370 5.963 1.00 44.42 H new ATOM 0 HD2 HIS A 132 52.442 5.577 3.506 1.00 44.41 H new ATOM 0 HE1 HIS A 132 50.031 2.307 2.296 1.00 20.44 H new ATOM 0 HE2 HIS A 132 50.632 4.731 1.836 1.00 3.32 H new ATOM 1541 N HIS A 133 55.281 5.373 4.697 1.00 42.54 N ATOM 1542 CA HIS A 133 55.928 6.514 4.038 1.00 35.24 C ATOM 1543 C HIS A 133 56.933 7.189 4.984 1.00 2.52 C ATOM 1544 O HIS A 133 56.593 8.125 5.711 1.00 73.41 O ATOM 1545 CB HIS A 133 54.876 7.526 3.563 1.00 20.02 C ATOM 1546 CG HIS A 133 55.446 8.672 2.779 1.00 72.21 C ATOM 1547 ND1 HIS A 133 55.928 9.821 3.367 1.00 62.52 N ATOM 1548 CD2 HIS A 133 55.607 8.843 1.443 1.00 1.33 C ATOM 1549 CE1 HIS A 133 56.361 10.643 2.434 1.00 34.04 C ATOM 1550 NE2 HIS A 133 56.179 10.077 1.259 1.00 52.33 N ATOM 0 H HIS A 133 54.811 5.605 5.572 1.00 42.54 H new ATOM 0 HA HIS A 133 56.471 6.144 3.168 1.00 35.24 H new ATOM 0 HB2 HIS A 133 54.140 7.008 2.948 1.00 20.02 H new ATOM 0 HB3 HIS A 133 54.347 7.920 4.431 1.00 20.02 H new ATOM 0 HD2 HIS A 133 55.336 8.140 0.669 1.00 1.33 H new ATOM 0 HE1 HIS A 133 56.793 11.618 2.604 1.00 34.04 H new ATOM 0 HE2 HIS A 133 56.423 10.489 0.358 1.00 52.33 H new ATOM 1559 N HIS A 134 58.168 6.699 4.981 1.00 54.35 N ATOM 1560 CA HIS A 134 59.199 7.201 5.893 1.00 30.15 C ATOM 1561 C HIS A 134 59.912 8.424 5.286 1.00 23.11 C ATOM 1562 O HIS A 134 60.646 8.297 4.305 1.00 30.50 O ATOM 1563 CB HIS A 134 60.204 6.079 6.207 1.00 33.34 C ATOM 1564 CG HIS A 134 60.971 6.277 7.478 1.00 11.15 C ATOM 1565 ND1 HIS A 134 62.298 6.647 7.517 1.00 31.33 N ATOM 1566 CD2 HIS A 134 60.591 6.126 8.771 1.00 21.32 C ATOM 1567 CE1 HIS A 134 62.700 6.714 8.770 1.00 74.32 C ATOM 1568 NE2 HIS A 134 61.687 6.405 9.549 1.00 63.24 N ATOM 0 H HIS A 134 58.483 5.955 4.359 1.00 54.35 H new ATOM 0 HA HIS A 134 58.727 7.519 6.823 1.00 30.15 H new ATOM 0 HB2 HIS A 134 59.667 5.132 6.264 1.00 33.34 H new ATOM 0 HB3 HIS A 134 60.909 5.997 5.380 1.00 33.34 H new ATOM 0 HD2 HIS A 134 59.611 5.840 9.122 1.00 21.32 H new ATOM 0 HE1 HIS A 134 63.694 6.978 9.101 1.00 74.32 H new ATOM 0 HE2 HIS A 134 61.712 6.377 10.568 1.00 63.24 H new ATOM 1577 N HIS A 135 59.677 9.600 5.882 1.00 2.24 N ATOM 1578 CA HIS A 135 60.217 10.886 5.390 1.00 71.45 C ATOM 1579 C HIS A 135 59.512 11.345 4.091 1.00 13.44 C ATOM 1580 O HIS A 135 58.489 12.057 4.194 1.00 37.29 O ATOM 1581 CB HIS A 135 61.744 10.816 5.188 1.00 51.24 C ATOM 1582 CG HIS A 135 62.356 12.100 4.708 1.00 70.42 C ATOM 1583 ND1 HIS A 135 62.330 13.264 5.440 1.00 10.42 N ATOM 1584 CD2 HIS A 135 63.002 12.404 3.555 1.00 5.54 C ATOM 1585 CE1 HIS A 135 62.924 14.225 4.765 1.00 34.12 C ATOM 1586 NE2 HIS A 135 63.343 13.732 3.621 1.00 4.10 N ATOM 1587 OXT HIS A 135 59.989 11.002 2.980 1.00 37.29 O ATOM 0 H HIS A 135 59.106 9.693 6.722 1.00 2.24 H new ATOM 0 HA HIS A 135 60.012 11.631 6.159 1.00 71.45 H new ATOM 0 HB2 HIS A 135 62.212 10.532 6.131 1.00 51.24 H new ATOM 0 HB3 HIS A 135 61.969 10.027 4.470 1.00 51.24 H new ATOM 0 HD2 HIS A 135 63.209 11.728 2.738 1.00 5.54 H new ATOM 0 HE1 HIS A 135 63.046 15.246 5.095 1.00 34.12 H new ATOM 0 HE2 HIS A 135 63.841 14.252 2.899 1.00 4.10 H new TER 1596 HIS A 135