USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1047 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 114 THR OG1 : rot -21:sc= 0.599 USER MOD Set 1.2: A 125 THR OG1 : rot 59:sc= 0.332 USER MOD Set 2.1: A 120 SER OG : rot -28:sc= -0.862! USER MOD Set 2.2: A 124 TYR OH : rot 180:sc= -0.299 USER MOD Set 3.1: A 89 ASN :FLIP amide:sc= 0.359 F(o=-5.6!,f=-2.4) USER MOD Set 3.2: A 104 HIS : no HE2:sc= -2.76! C(o=-2.4!,f=-5.6!) USER MOD Set 4.1: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 92 HIS : no HE2:sc= -6.87! C(o=-6.9!,f=-7.1!) USER MOD Set 5.1: A 67 CYS SG : rot -90:sc= -1.26 USER MOD Set 5.2: A 71 HIS : no HD1:sc= -8.63! C(o=-12!,f=-19!) USER MOD Set 5.3: A 90 SER OG : rot 179:sc= -2.6! USER MOD Set 5.4: A 94 THR OG1 : rot 80:sc= 0.635 USER MOD Set 6.1: A 6 ASN : amide:sc= -0.0156 X(o=-0.31,f=-0.66) USER MOD Set 6.2: A 54 ASN : amide:sc= -0.291 X(o=-0.31,f=-0.69) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc=-0.00695 (180deg=-0.195) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -63:sc= -0.359! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 14:sc= 0.568 USER MOD Single : A 18 THR OG1 : rot -25:sc= 0.339 USER MOD Single : A 22 LYS NZ :NH3+ -139:sc= -6.06! (180deg=-9.38!) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -2.01 F(o=-3.9!,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -2.51! (180deg=-3.95!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 137:sc= -3.46! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 65 GLN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -30:sc= -3.34! USER MOD Single : A 77 HIS :FLIP no HE2:sc= -8.37! C(o=-13!,f=-8.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -3.93! C(o=-3.9!,f=-4.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HE2:sc= -5.4! C(o=-5.4!,f=-5.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.5) USER MOD Single : A 108 GLN : amide:sc= -2.1! C(o=-2.1!,f=-6.9!) USER MOD Single : A 113 SER OG : rot 92:sc= -3.17! USER MOD Single : A 116 SER OG : rot 9:sc= 0.451! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.8!) USER MOD Single : A 132 THR OG1 : rot -26:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.758 -8.338 7.293 1.00 73.42 N ATOM 2 CA MET A 1 -1.318 -8.233 7.132 1.00 71.35 C ATOM 3 C MET A 1 -0.764 -9.432 6.358 1.00 10.32 C ATOM 4 O MET A 1 -0.136 -10.314 6.941 1.00 65.13 O ATOM 5 CB MET A 1 -0.654 -8.162 8.508 1.00 21.50 C ATOM 6 CG MET A 1 -0.840 -6.780 9.136 1.00 11.30 C ATOM 7 SD MET A 1 -0.597 -6.873 10.902 1.00 70.51 S ATOM 8 CE MET A 1 1.155 -6.545 10.991 1.00 2.05 C ATOM 0 H1 MET A 1 -3.151 -7.402 7.520 1.00 73.42 H new ATOM 0 H2 MET A 1 -3.182 -8.687 6.410 1.00 73.42 H new ATOM 0 H3 MET A 1 -2.974 -9.000 8.065 1.00 73.42 H new ATOM 0 HA MET A 1 -1.099 -7.327 6.567 1.00 71.35 H new ATOM 0 HB2 MET A 1 -1.081 -8.923 9.161 1.00 21.50 H new ATOM 0 HB3 MET A 1 0.409 -8.383 8.414 1.00 21.50 H new ATOM 0 HG2 MET A 1 -0.132 -6.075 8.700 1.00 11.30 H new ATOM 0 HG3 MET A 1 -1.839 -6.404 8.918 1.00 11.30 H new ATOM 0 HE1 MET A 1 1.477 -6.566 12.032 1.00 2.05 H new ATOM 0 HE2 MET A 1 1.697 -7.306 10.429 1.00 2.05 H new ATOM 0 HE3 MET A 1 1.363 -5.563 10.566 1.00 2.05 H new ATOM 18 N ALA A 2 -1.017 -9.424 5.058 1.00 72.42 N ATOM 19 CA ALA A 2 -0.552 -10.500 4.199 1.00 44.13 C ATOM 20 C ALA A 2 0.703 -10.043 3.452 1.00 62.22 C ATOM 21 O ALA A 2 1.386 -10.852 2.825 1.00 31.13 O ATOM 22 CB ALA A 2 -1.676 -10.918 3.249 1.00 41.33 C ATOM 0 H ALA A 2 -1.538 -8.690 4.578 1.00 72.42 H new ATOM 0 HA ALA A 2 -0.284 -11.375 4.791 1.00 44.13 H new ATOM 0 HB1 ALA A 2 -1.327 -11.725 2.605 1.00 41.33 H new ATOM 0 HB2 ALA A 2 -2.533 -11.261 3.828 1.00 41.33 H new ATOM 0 HB3 ALA A 2 -1.970 -10.066 2.636 1.00 41.33 H new ATOM 28 N ALA A 3 0.969 -8.748 3.543 1.00 71.40 N ATOM 29 CA ALA A 3 2.130 -8.174 2.884 1.00 74.44 C ATOM 30 C ALA A 3 2.201 -8.691 1.445 1.00 23.24 C ATOM 31 O ALA A 3 3.237 -9.195 1.014 1.00 42.22 O ATOM 32 CB ALA A 3 3.389 -8.507 3.686 1.00 1.01 C ATOM 0 H ALA A 3 0.400 -8.080 4.063 1.00 71.40 H new ATOM 0 HA ALA A 3 2.049 -7.088 2.841 1.00 74.44 H new ATOM 0 HB1 ALA A 3 4.260 -8.076 3.192 1.00 1.01 H new ATOM 0 HB2 ALA A 3 3.301 -8.093 4.691 1.00 1.01 H new ATOM 0 HB3 ALA A 3 3.505 -9.589 3.748 1.00 1.01 H new ATOM 38 N ALA A 4 1.087 -8.549 0.743 1.00 11.31 N ATOM 39 CA ALA A 4 1.010 -8.995 -0.638 1.00 2.13 C ATOM 40 C ALA A 4 0.373 -7.896 -1.490 1.00 13.53 C ATOM 41 O ALA A 4 -0.844 -7.869 -1.666 1.00 73.33 O ATOM 42 CB ALA A 4 0.233 -10.311 -0.707 1.00 13.23 C ATOM 0 H ALA A 4 0.230 -8.131 1.105 1.00 11.31 H new ATOM 0 HA ALA A 4 2.007 -9.184 -1.036 1.00 2.13 H new ATOM 0 HB1 ALA A 4 0.175 -10.646 -1.743 1.00 13.23 H new ATOM 0 HB2 ALA A 4 0.743 -11.067 -0.110 1.00 13.23 H new ATOM 0 HB3 ALA A 4 -0.774 -10.160 -0.318 1.00 13.23 H new ATOM 48 N VAL A 5 1.223 -7.015 -1.995 1.00 45.42 N ATOM 49 CA VAL A 5 0.758 -5.916 -2.824 1.00 45.34 C ATOM 50 C VAL A 5 1.198 -6.153 -4.271 1.00 14.33 C ATOM 51 O VAL A 5 0.364 -6.223 -5.173 1.00 2.03 O ATOM 52 CB VAL A 5 1.258 -4.585 -2.258 1.00 63.12 C ATOM 53 CG1 VAL A 5 0.737 -3.407 -3.084 1.00 70.52 C ATOM 54 CG2 VAL A 5 0.871 -4.436 -0.786 1.00 2.05 C ATOM 0 H VAL A 5 2.232 -7.040 -1.846 1.00 45.42 H new ATOM 0 HA VAL A 5 -0.331 -5.868 -2.818 1.00 45.34 H new ATOM 0 HB VAL A 5 2.346 -4.582 -2.321 1.00 63.12 H new ATOM 0 HG11 VAL A 5 1.107 -2.473 -2.660 1.00 70.52 H new ATOM 0 HG12 VAL A 5 1.085 -3.502 -4.113 1.00 70.52 H new ATOM 0 HG13 VAL A 5 -0.353 -3.406 -3.068 1.00 70.52 H new ATOM 0 HG21 VAL A 5 1.238 -3.482 -0.408 1.00 2.05 H new ATOM 0 HG22 VAL A 5 -0.214 -4.471 -0.690 1.00 2.05 H new ATOM 0 HG23 VAL A 5 1.313 -5.249 -0.210 1.00 2.05 H new ATOM 64 N ASN A 6 2.506 -6.269 -4.447 1.00 35.32 N ATOM 65 CA ASN A 6 3.065 -6.497 -5.768 1.00 45.22 C ATOM 66 C ASN A 6 2.832 -7.954 -6.172 1.00 51.13 C ATOM 67 O ASN A 6 2.933 -8.856 -5.342 1.00 15.20 O ATOM 68 CB ASN A 6 4.573 -6.239 -5.779 1.00 64.03 C ATOM 69 CG ASN A 6 4.895 -4.843 -5.243 1.00 10.24 C ATOM 70 OD1 ASN A 6 4.506 -3.830 -5.801 1.00 32.12 O ATOM 71 ND2 ASN A 6 5.625 -4.845 -4.131 1.00 63.41 N ATOM 0 H ASN A 6 3.194 -6.209 -3.697 1.00 35.32 H new ATOM 0 HA ASN A 6 2.576 -5.814 -6.463 1.00 45.22 H new ATOM 0 HB2 ASN A 6 5.078 -6.991 -5.173 1.00 64.03 H new ATOM 0 HB3 ASN A 6 4.955 -6.339 -6.795 1.00 64.03 H new ATOM 0 HD21 ASN A 6 5.892 -3.963 -3.694 1.00 63.41 H new ATOM 0 HD22 ASN A 6 5.918 -5.729 -3.715 1.00 63.41 H new ATOM 78 N SER A 7 2.525 -8.139 -7.448 1.00 14.13 N ATOM 79 CA SER A 7 2.276 -9.471 -7.972 1.00 71.10 C ATOM 80 C SER A 7 3.136 -9.714 -9.214 1.00 3.33 C ATOM 81 O SER A 7 2.641 -10.195 -10.232 1.00 5.40 O ATOM 82 CB SER A 7 0.795 -9.664 -8.306 1.00 44.12 C ATOM 83 OG SER A 7 0.358 -8.771 -9.327 1.00 70.33 O ATOM 0 H SER A 7 2.443 -7.389 -8.134 1.00 14.13 H new ATOM 0 HA SER A 7 2.545 -10.196 -7.204 1.00 71.10 H new ATOM 0 HB2 SER A 7 0.627 -10.692 -8.627 1.00 44.12 H new ATOM 0 HB3 SER A 7 0.197 -9.508 -7.408 1.00 44.12 H new ATOM 0 HG SER A 7 -0.592 -8.926 -9.513 1.00 70.33 H new ATOM 89 N GLY A 8 4.410 -9.370 -9.088 1.00 53.24 N ATOM 90 CA GLY A 8 5.344 -9.544 -10.188 1.00 34.22 C ATOM 91 C GLY A 8 5.208 -8.411 -11.207 1.00 63.22 C ATOM 92 O GLY A 8 4.389 -7.510 -11.034 1.00 60.21 O ATOM 0 H GLY A 8 4.817 -8.972 -8.242 1.00 53.24 H new ATOM 0 HA2 GLY A 8 6.363 -9.571 -9.803 1.00 34.22 H new ATOM 0 HA3 GLY A 8 5.162 -10.501 -10.677 1.00 34.22 H new ATOM 96 N SER A 9 6.025 -8.494 -12.248 1.00 15.34 N ATOM 97 CA SER A 9 6.006 -7.487 -13.295 1.00 3.52 C ATOM 98 C SER A 9 6.866 -7.943 -14.475 1.00 61.21 C ATOM 99 O SER A 9 7.636 -8.895 -14.355 1.00 41.13 O ATOM 100 CB SER A 9 6.500 -6.137 -12.770 1.00 14.14 C ATOM 101 OG SER A 9 6.601 -6.122 -11.348 1.00 53.22 O ATOM 0 H SER A 9 6.703 -9.243 -12.388 1.00 15.34 H new ATOM 0 HA SER A 9 4.976 -7.362 -13.630 1.00 3.52 H new ATOM 0 HB2 SER A 9 7.474 -5.913 -13.205 1.00 14.14 H new ATOM 0 HB3 SER A 9 5.818 -5.351 -13.093 1.00 14.14 H new ATOM 0 HG SER A 9 5.711 -6.245 -10.956 1.00 53.22 H new ATOM 107 N SER A 10 6.706 -7.243 -15.588 1.00 72.25 N ATOM 108 CA SER A 10 7.458 -7.565 -16.789 1.00 52.25 C ATOM 109 C SER A 10 8.416 -6.421 -17.129 1.00 20.32 C ATOM 110 O SER A 10 8.221 -5.291 -16.685 1.00 2.13 O ATOM 111 CB SER A 10 6.522 -7.840 -17.968 1.00 31.30 C ATOM 112 OG SER A 10 5.374 -6.997 -17.946 1.00 54.44 O ATOM 0 H SER A 10 6.067 -6.454 -15.684 1.00 72.25 H new ATOM 0 HA SER A 10 8.035 -8.470 -16.599 1.00 52.25 H new ATOM 0 HB2 SER A 10 7.063 -7.691 -18.903 1.00 31.30 H new ATOM 0 HB3 SER A 10 6.206 -8.883 -17.945 1.00 31.30 H new ATOM 0 HG SER A 10 4.803 -7.202 -18.715 1.00 54.44 H new ATOM 118 N LEU A 11 9.430 -6.755 -17.913 1.00 44.10 N ATOM 119 CA LEU A 11 10.419 -5.770 -18.317 1.00 65.11 C ATOM 120 C LEU A 11 11.047 -5.143 -17.071 1.00 11.24 C ATOM 121 O LEU A 11 10.512 -5.270 -15.971 1.00 34.24 O ATOM 122 CB LEU A 11 9.800 -4.749 -19.274 1.00 34.44 C ATOM 123 CG LEU A 11 9.906 -5.076 -20.764 1.00 63.35 C ATOM 124 CD1 LEU A 11 11.212 -4.537 -21.352 1.00 21.32 C ATOM 125 CD2 LEU A 11 9.744 -6.578 -21.009 1.00 44.15 C ATOM 0 H LEU A 11 9.588 -7.694 -18.279 1.00 44.10 H new ATOM 0 HA LEU A 11 11.225 -6.247 -18.875 1.00 65.11 H new ATOM 0 HB2 LEU A 11 8.746 -4.637 -19.021 1.00 34.44 H new ATOM 0 HB3 LEU A 11 10.274 -3.783 -19.100 1.00 34.44 H new ATOM 0 HG LEU A 11 9.088 -4.575 -21.282 1.00 63.35 H new ATOM 0 HD11 LEU A 11 11.262 -4.783 -22.413 1.00 21.32 H new ATOM 0 HD12 LEU A 11 11.247 -3.455 -21.229 1.00 21.32 H new ATOM 0 HD13 LEU A 11 12.058 -4.989 -20.834 1.00 21.32 H new ATOM 0 HD21 LEU A 11 9.824 -6.783 -22.077 1.00 44.15 H new ATOM 0 HD22 LEU A 11 10.525 -7.120 -20.476 1.00 44.15 H new ATOM 0 HD23 LEU A 11 8.768 -6.902 -20.649 1.00 44.15 H new ATOM 137 N PRO A 12 12.203 -4.461 -17.290 1.00 62.22 N ATOM 138 CA PRO A 12 12.909 -3.814 -16.198 1.00 2.23 C ATOM 139 C PRO A 12 12.195 -2.531 -15.766 1.00 74.45 C ATOM 140 O PRO A 12 11.021 -2.336 -16.078 1.00 11.11 O ATOM 141 CB PRO A 12 14.311 -3.563 -16.729 1.00 51.33 C ATOM 142 CG PRO A 12 14.205 -3.653 -18.243 1.00 21.11 C ATOM 143 CD PRO A 12 12.866 -4.289 -18.579 1.00 64.54 C ATOM 0 HA PRO A 12 12.942 -4.427 -15.298 1.00 2.23 H new ATOM 0 HB2 PRO A 12 14.676 -2.583 -16.420 1.00 51.33 H new ATOM 0 HB3 PRO A 12 15.013 -4.301 -16.342 1.00 51.33 H new ATOM 0 HG2 PRO A 12 14.280 -2.662 -18.691 1.00 21.11 H new ATOM 0 HG3 PRO A 12 15.023 -4.249 -18.648 1.00 21.11 H new ATOM 0 HD2 PRO A 12 12.281 -3.653 -19.243 1.00 64.54 H new ATOM 0 HD3 PRO A 12 12.998 -5.244 -19.087 1.00 64.54 H new ATOM 151 N LEU A 13 12.933 -1.691 -15.057 1.00 13.24 N ATOM 152 CA LEU A 13 12.384 -0.433 -14.580 1.00 4.45 C ATOM 153 C LEU A 13 13.048 0.725 -15.329 1.00 73.40 C ATOM 154 O LEU A 13 12.443 1.780 -15.509 1.00 13.54 O ATOM 155 CB LEU A 13 12.513 -0.334 -13.058 1.00 65.42 C ATOM 156 CG LEU A 13 13.722 -1.042 -12.440 1.00 55.45 C ATOM 157 CD1 LEU A 13 13.599 -2.560 -12.582 1.00 23.10 C ATOM 158 CD2 LEU A 13 15.029 -0.514 -13.035 1.00 52.00 C ATOM 0 H LEU A 13 13.906 -1.856 -14.801 1.00 13.24 H new ATOM 0 HA LEU A 13 11.316 -0.380 -14.791 1.00 4.45 H new ATOM 0 HB2 LEU A 13 12.555 0.720 -12.785 1.00 65.42 H new ATOM 0 HB3 LEU A 13 11.608 -0.744 -12.609 1.00 65.42 H new ATOM 0 HG LEU A 13 13.741 -0.819 -11.373 1.00 55.45 H new ATOM 0 HD11 LEU A 13 14.470 -3.039 -12.135 1.00 23.10 H new ATOM 0 HD12 LEU A 13 12.697 -2.901 -12.074 1.00 23.10 H new ATOM 0 HD13 LEU A 13 13.542 -2.823 -13.638 1.00 23.10 H new ATOM 0 HD21 LEU A 13 15.872 -1.033 -12.579 1.00 52.00 H new ATOM 0 HD22 LEU A 13 15.035 -0.687 -14.111 1.00 52.00 H new ATOM 0 HD23 LEU A 13 15.112 0.555 -12.839 1.00 52.00 H new ATOM 170 N PHE A 14 14.282 0.487 -15.746 1.00 65.13 N ATOM 171 CA PHE A 14 15.035 1.496 -16.472 1.00 55.23 C ATOM 172 C PHE A 14 16.345 0.920 -17.013 1.00 52.32 C ATOM 173 O PHE A 14 16.749 -0.177 -16.632 1.00 74.32 O ATOM 174 CB PHE A 14 15.355 2.616 -15.480 1.00 34.54 C ATOM 175 CG PHE A 14 16.573 3.458 -15.863 1.00 54.25 C ATOM 176 CD1 PHE A 14 17.822 3.041 -15.526 1.00 21.42 C ATOM 177 CD2 PHE A 14 16.406 4.625 -16.542 1.00 72.23 C ATOM 178 CE1 PHE A 14 18.952 3.823 -15.882 1.00 65.31 C ATOM 179 CE2 PHE A 14 17.536 5.407 -16.898 1.00 62.15 C ATOM 180 CZ PHE A 14 18.786 4.989 -16.561 1.00 13.32 C ATOM 0 H PHE A 14 14.780 -0.390 -15.595 1.00 65.13 H new ATOM 0 HA PHE A 14 14.451 1.857 -17.319 1.00 55.23 H new ATOM 0 HB2 PHE A 14 14.487 3.270 -15.394 1.00 34.54 H new ATOM 0 HB3 PHE A 14 15.524 2.178 -14.496 1.00 34.54 H new ATOM 0 HD1 PHE A 14 17.955 2.114 -14.987 1.00 21.42 H new ATOM 0 HD2 PHE A 14 15.414 4.956 -16.810 1.00 72.23 H new ATOM 0 HE1 PHE A 14 19.944 3.491 -15.613 1.00 65.31 H new ATOM 0 HE2 PHE A 14 17.403 6.334 -17.436 1.00 62.15 H new ATOM 0 HZ PHE A 14 19.646 5.583 -16.833 1.00 13.32 H new ATOM 190 N ASP A 15 16.972 1.687 -17.893 1.00 24.12 N ATOM 191 CA ASP A 15 18.229 1.267 -18.490 1.00 34.40 C ATOM 192 C ASP A 15 19.209 2.441 -18.484 1.00 23.02 C ATOM 193 O ASP A 15 18.905 3.511 -19.008 1.00 0.30 O ATOM 194 CB ASP A 15 18.028 0.826 -19.941 1.00 63.32 C ATOM 195 CG ASP A 15 19.035 -0.209 -20.448 1.00 4.24 C ATOM 196 OD1 ASP A 15 20.194 -0.241 -20.007 1.00 30.21 O ATOM 197 OD2 ASP A 15 18.582 -1.017 -21.345 1.00 42.24 O ATOM 0 H ASP A 15 16.633 2.596 -18.207 1.00 24.12 H new ATOM 0 HA ASP A 15 18.616 0.430 -17.909 1.00 34.40 H new ATOM 0 HB2 ASP A 15 17.024 0.415 -20.044 1.00 63.32 H new ATOM 0 HB3 ASP A 15 18.080 1.706 -20.583 1.00 63.32 H new ATOM 203 N CYS A 16 20.366 2.201 -17.885 1.00 25.13 N ATOM 204 CA CYS A 16 21.394 3.225 -17.803 1.00 53.34 C ATOM 205 C CYS A 16 21.999 3.411 -19.196 1.00 75.14 C ATOM 206 O CYS A 16 22.206 2.439 -19.922 1.00 13.25 O ATOM 207 CB CYS A 16 22.458 2.877 -16.761 1.00 1.52 C ATOM 208 SG CYS A 16 23.578 1.587 -17.416 1.00 71.02 S ATOM 0 H CYS A 16 20.615 1.312 -17.451 1.00 25.13 H new ATOM 0 HA CYS A 16 20.950 4.164 -17.472 1.00 53.34 H new ATOM 0 HB2 CYS A 16 23.029 3.768 -16.501 1.00 1.52 H new ATOM 0 HB3 CYS A 16 21.981 2.526 -15.846 1.00 1.52 H new ATOM 0 HG CYS A 16 23.408 1.476 -18.700 1.00 71.02 H new ATOM 214 N PRO A 17 22.272 4.699 -19.538 1.00 32.35 N ATOM 215 CA PRO A 17 22.849 5.024 -20.831 1.00 13.12 C ATOM 216 C PRO A 17 24.334 4.661 -20.876 1.00 22.43 C ATOM 217 O PRO A 17 24.811 3.881 -20.052 1.00 44.23 O ATOM 218 CB PRO A 17 22.595 6.512 -21.011 1.00 65.14 C ATOM 219 CG PRO A 17 22.304 7.057 -19.623 1.00 22.24 C ATOM 220 CD PRO A 17 22.040 5.875 -18.704 1.00 73.12 C ATOM 0 HA PRO A 17 22.402 4.455 -21.646 1.00 13.12 H new ATOM 0 HB2 PRO A 17 23.462 7.006 -21.450 1.00 65.14 H new ATOM 0 HB3 PRO A 17 21.755 6.686 -21.683 1.00 65.14 H new ATOM 0 HG2 PRO A 17 23.148 7.643 -19.258 1.00 22.24 H new ATOM 0 HG3 PRO A 17 21.441 7.722 -19.647 1.00 22.24 H new ATOM 0 HD2 PRO A 17 22.707 5.887 -17.842 1.00 73.12 H new ATOM 0 HD3 PRO A 17 21.020 5.893 -18.319 1.00 73.12 H new ATOM 228 N THR A 18 25.024 5.243 -21.846 1.00 30.44 N ATOM 229 CA THR A 18 26.446 4.990 -22.009 1.00 34.24 C ATOM 230 C THR A 18 27.257 6.214 -21.580 1.00 64.23 C ATOM 231 O THR A 18 28.484 6.156 -21.511 1.00 1.40 O ATOM 232 CB THR A 18 26.689 4.577 -23.462 1.00 11.43 C ATOM 233 OG1 THR A 18 28.032 4.102 -23.467 1.00 61.33 O ATOM 234 CG2 THR A 18 26.714 5.775 -24.414 1.00 32.21 C ATOM 0 H THR A 18 24.625 5.889 -22.527 1.00 30.44 H new ATOM 0 HA THR A 18 26.780 4.176 -21.365 1.00 34.24 H new ATOM 0 HB THR A 18 25.913 3.879 -23.776 1.00 11.43 H new ATOM 0 HG1 THR A 18 28.528 4.516 -22.730 1.00 61.33 H new ATOM 0 HG21 THR A 18 26.890 5.427 -25.432 1.00 32.21 H new ATOM 0 HG22 THR A 18 25.758 6.296 -24.368 1.00 32.21 H new ATOM 0 HG23 THR A 18 27.513 6.456 -24.121 1.00 32.21 H new ATOM 242 N TRP A 19 26.540 7.293 -21.304 1.00 32.21 N ATOM 243 CA TRP A 19 27.178 8.529 -20.884 1.00 61.22 C ATOM 244 C TRP A 19 27.204 8.552 -19.355 1.00 14.04 C ATOM 245 O TRP A 19 27.726 9.489 -18.753 1.00 42.00 O ATOM 246 CB TRP A 19 26.471 9.744 -21.489 1.00 24.52 C ATOM 247 CG TRP A 19 24.955 9.584 -21.612 1.00 72.31 C ATOM 248 CD1 TRP A 19 24.266 8.970 -22.584 1.00 42.23 C ATOM 249 CD2 TRP A 19 23.961 10.072 -20.687 1.00 53.50 C ATOM 250 NE1 TRP A 19 22.907 9.028 -22.355 1.00 35.34 N ATOM 251 CE2 TRP A 19 22.715 9.719 -21.164 1.00 50.21 C ATOM 252 CE3 TRP A 19 24.109 10.789 -19.487 1.00 3.34 C ATOM 253 CZ2 TRP A 19 21.522 10.040 -20.505 1.00 23.33 C ATOM 254 CZ3 TRP A 19 22.908 11.102 -18.840 1.00 13.13 C ATOM 255 CH2 TRP A 19 21.646 10.754 -19.307 1.00 32.20 C ATOM 0 H TRP A 19 25.523 7.337 -21.363 1.00 32.21 H new ATOM 0 HA TRP A 19 28.204 8.577 -21.250 1.00 61.22 H new ATOM 0 HB2 TRP A 19 26.685 10.619 -20.875 1.00 24.52 H new ATOM 0 HB3 TRP A 19 26.887 9.939 -22.478 1.00 24.52 H new ATOM 0 HD1 TRP A 19 24.718 8.490 -23.439 1.00 42.23 H new ATOM 0 HE1 TRP A 19 22.177 8.636 -22.950 1.00 35.34 H new ATOM 0 HE3 TRP A 19 25.074 11.076 -19.095 1.00 3.34 H new ATOM 0 HZ2 TRP A 19 20.559 9.752 -20.899 1.00 23.33 H new ATOM 0 HZ3 TRP A 19 22.966 11.653 -17.913 1.00 13.13 H new ATOM 0 HH2 TRP A 19 20.765 11.033 -18.748 1.00 32.20 H new ATOM 266 N ALA A 20 26.633 7.510 -18.769 1.00 74.42 N ATOM 267 CA ALA A 20 26.583 7.399 -17.321 1.00 62.52 C ATOM 268 C ALA A 20 27.940 6.914 -16.805 1.00 15.33 C ATOM 269 O ALA A 20 28.543 6.013 -17.385 1.00 32.24 O ATOM 270 CB ALA A 20 25.439 6.465 -16.919 1.00 43.34 C ATOM 0 H ALA A 20 26.201 6.734 -19.271 1.00 74.42 H new ATOM 0 HA ALA A 20 26.385 8.370 -16.868 1.00 62.52 H new ATOM 0 HB1 ALA A 20 25.402 6.382 -15.833 1.00 43.34 H new ATOM 0 HB2 ALA A 20 24.495 6.868 -17.285 1.00 43.34 H new ATOM 0 HB3 ALA A 20 25.605 5.479 -17.353 1.00 43.34 H new ATOM 276 N GLY A 21 28.379 7.535 -15.720 1.00 24.32 N ATOM 277 CA GLY A 21 29.653 7.178 -15.119 1.00 3.35 C ATOM 278 C GLY A 21 29.615 7.366 -13.600 1.00 73.35 C ATOM 279 O GLY A 21 29.002 8.309 -13.103 1.00 52.23 O ATOM 0 H GLY A 21 27.876 8.282 -15.242 1.00 24.32 H new ATOM 0 HA2 GLY A 21 29.893 6.141 -15.355 1.00 3.35 H new ATOM 0 HA3 GLY A 21 30.445 7.793 -15.545 1.00 3.35 H new ATOM 283 N LYS A 22 30.277 6.452 -12.906 1.00 43.15 N ATOM 284 CA LYS A 22 30.326 6.505 -11.455 1.00 64.12 C ATOM 285 C LYS A 22 30.663 7.930 -11.012 1.00 53.21 C ATOM 286 O LYS A 22 31.725 8.453 -11.345 1.00 0.21 O ATOM 287 CB LYS A 22 31.291 5.449 -10.913 1.00 64.50 C ATOM 288 CG LYS A 22 30.655 4.661 -9.766 1.00 15.41 C ATOM 289 CD LYS A 22 30.061 3.344 -10.268 1.00 72.23 C ATOM 290 CE LYS A 22 28.732 3.581 -10.989 1.00 31.35 C ATOM 291 NZ LYS A 22 28.949 3.715 -12.446 1.00 43.13 N ATOM 0 H LYS A 22 30.784 5.671 -13.322 1.00 43.15 H new ATOM 0 HA LYS A 22 29.352 6.261 -11.032 1.00 64.12 H new ATOM 0 HB2 LYS A 22 31.576 4.766 -11.714 1.00 64.50 H new ATOM 0 HB3 LYS A 22 32.205 5.931 -10.565 1.00 64.50 H new ATOM 0 HG2 LYS A 22 31.404 4.458 -9.001 1.00 15.41 H new ATOM 0 HG3 LYS A 22 29.875 5.261 -9.297 1.00 15.41 H new ATOM 0 HD2 LYS A 22 30.764 2.858 -10.945 1.00 72.23 H new ATOM 0 HD3 LYS A 22 29.907 2.667 -9.428 1.00 72.23 H new ATOM 0 HE2 LYS A 22 28.052 2.753 -10.791 1.00 31.35 H new ATOM 0 HE3 LYS A 22 28.257 4.483 -10.602 1.00 31.35 H new ATOM 0 HZ1 LYS A 22 28.349 4.479 -12.818 1.00 43.13 H new ATOM 0 HZ2 LYS A 22 29.948 3.940 -12.629 1.00 43.13 H new ATOM 0 HZ3 LYS A 22 28.703 2.821 -12.917 1.00 43.13 H new ATOM 304 N PRO A 23 29.713 8.534 -10.248 1.00 71.24 N ATOM 305 CA PRO A 23 29.898 9.888 -9.756 1.00 52.33 C ATOM 306 C PRO A 23 30.898 9.919 -8.599 1.00 11.53 C ATOM 307 O PRO A 23 31.128 8.904 -7.945 1.00 33.53 O ATOM 308 CB PRO A 23 28.508 10.354 -9.353 1.00 60.43 C ATOM 309 CG PRO A 23 27.675 9.092 -9.198 1.00 73.22 C ATOM 310 CD PRO A 23 28.443 7.945 -9.835 1.00 34.14 C ATOM 0 HA PRO A 23 30.324 10.554 -10.507 1.00 52.33 H new ATOM 0 HB2 PRO A 23 28.540 10.918 -8.421 1.00 60.43 H new ATOM 0 HB3 PRO A 23 28.082 11.013 -10.110 1.00 60.43 H new ATOM 0 HG2 PRO A 23 27.486 8.886 -8.144 1.00 73.22 H new ATOM 0 HG3 PRO A 23 26.704 9.214 -9.678 1.00 73.22 H new ATOM 0 HD2 PRO A 23 28.596 7.130 -9.128 1.00 34.14 H new ATOM 0 HD3 PRO A 23 27.903 7.531 -10.687 1.00 34.14 H new ATOM 318 N PRO A 24 31.481 11.128 -8.375 1.00 73.22 N ATOM 319 CA PRO A 24 32.451 11.305 -7.308 1.00 34.21 C ATOM 320 C PRO A 24 31.762 11.345 -5.942 1.00 51.52 C ATOM 321 O PRO A 24 30.604 11.747 -5.839 1.00 10.24 O ATOM 322 CB PRO A 24 33.176 12.597 -7.646 1.00 62.10 C ATOM 323 CG PRO A 24 32.280 13.334 -8.628 1.00 34.23 C ATOM 324 CD PRO A 24 31.233 12.353 -9.130 1.00 33.23 C ATOM 0 HA PRO A 24 33.155 10.476 -7.237 1.00 34.21 H new ATOM 0 HB2 PRO A 24 33.348 13.194 -6.750 1.00 62.10 H new ATOM 0 HB3 PRO A 24 34.152 12.393 -8.085 1.00 62.10 H new ATOM 0 HG2 PRO A 24 31.803 14.187 -8.144 1.00 34.23 H new ATOM 0 HG3 PRO A 24 32.866 13.726 -9.459 1.00 34.23 H new ATOM 0 HD2 PRO A 24 30.224 12.728 -8.957 1.00 33.23 H new ATOM 0 HD3 PRO A 24 31.331 12.184 -10.202 1.00 33.23 H new ATOM 332 N PRO A 25 32.523 10.913 -4.902 1.00 2.05 N ATOM 333 CA PRO A 25 31.999 10.896 -3.547 1.00 14.43 C ATOM 334 C PRO A 25 31.942 12.310 -2.963 1.00 61.41 C ATOM 335 O PRO A 25 32.788 12.685 -2.152 1.00 74.43 O ATOM 336 CB PRO A 25 32.928 9.972 -2.776 1.00 54.44 C ATOM 337 CG PRO A 25 34.199 9.875 -3.604 1.00 73.43 C ATOM 338 CD PRO A 25 33.898 10.430 -4.987 1.00 4.22 C ATOM 0 HA PRO A 25 30.971 10.536 -3.499 1.00 14.43 H new ATOM 0 HB2 PRO A 25 33.138 10.369 -1.783 1.00 54.44 H new ATOM 0 HB3 PRO A 25 32.476 8.990 -2.638 1.00 54.44 H new ATOM 0 HG2 PRO A 25 35.005 10.438 -3.134 1.00 73.43 H new ATOM 0 HG3 PRO A 25 34.532 8.839 -3.672 1.00 73.43 H new ATOM 0 HD2 PRO A 25 34.585 11.235 -5.249 1.00 4.22 H new ATOM 0 HD3 PRO A 25 34.001 9.661 -5.753 1.00 4.22 H new ATOM 346 N GLY A 26 30.937 13.055 -3.398 1.00 41.34 N ATOM 347 CA GLY A 26 30.759 14.419 -2.929 1.00 61.02 C ATOM 348 C GLY A 26 29.488 15.038 -3.513 1.00 53.23 C ATOM 349 O GLY A 26 29.443 16.239 -3.778 1.00 35.34 O ATOM 0 H GLY A 26 30.237 12.740 -4.070 1.00 41.34 H new ATOM 0 HA2 GLY A 26 30.706 14.429 -1.840 1.00 61.02 H new ATOM 0 HA3 GLY A 26 31.623 15.020 -3.211 1.00 61.02 H new ATOM 353 N LEU A 27 28.486 14.191 -3.698 1.00 11.05 N ATOM 354 CA LEU A 27 27.217 14.640 -4.245 1.00 42.04 C ATOM 355 C LEU A 27 26.077 14.139 -3.357 1.00 30.02 C ATOM 356 O LEU A 27 26.280 13.267 -2.513 1.00 52.03 O ATOM 357 CB LEU A 27 27.087 14.218 -5.710 1.00 74.52 C ATOM 358 CG LEU A 27 28.274 14.556 -6.614 1.00 73.12 C ATOM 359 CD1 LEU A 27 28.311 13.638 -7.837 1.00 74.43 C ATOM 360 CD2 LEU A 27 28.259 16.034 -7.008 1.00 3.33 C ATOM 0 H LEU A 27 28.527 13.196 -3.479 1.00 11.05 H new ATOM 0 HA LEU A 27 27.166 15.729 -4.245 1.00 42.04 H new ATOM 0 HB2 LEU A 27 26.925 13.141 -5.744 1.00 74.52 H new ATOM 0 HB3 LEU A 27 26.195 14.687 -6.125 1.00 74.52 H new ATOM 0 HG LEU A 27 29.192 14.381 -6.052 1.00 73.12 H new ATOM 0 HD11 LEU A 27 29.164 13.900 -8.463 1.00 74.43 H new ATOM 0 HD12 LEU A 27 28.404 12.602 -7.512 1.00 74.43 H new ATOM 0 HD13 LEU A 27 27.391 13.757 -8.409 1.00 74.43 H new ATOM 0 HD21 LEU A 27 29.113 16.248 -7.650 1.00 3.33 H new ATOM 0 HD22 LEU A 27 27.337 16.258 -7.544 1.00 3.33 H new ATOM 0 HD23 LEU A 27 28.316 16.650 -6.111 1.00 3.33 H new ATOM 372 N HIS A 28 24.903 14.712 -3.577 1.00 33.15 N ATOM 373 CA HIS A 28 23.730 14.334 -2.806 1.00 50.42 C ATOM 374 C HIS A 28 22.508 15.096 -3.325 1.00 24.14 C ATOM 375 O HIS A 28 22.613 16.263 -3.699 1.00 72.11 O ATOM 376 CB HIS A 28 23.971 14.548 -1.310 1.00 72.44 C ATOM 377 CG HIS A 28 24.042 15.999 -0.901 1.00 15.34 C ATOM 378 ND1 HIS A 28 23.173 16.765 -0.180 1.00 71.52 N flip ATOM 379 CD2 HIS A 28 25.102 16.823 -1.237 1.00 52.43 C flip ATOM 380 CE1 HIS A 28 23.676 17.990 -0.081 1.00 53.21 C flip ATOM 381 NE2 HIS A 28 24.872 18.027 -0.736 1.00 31.41 N flip ATOM 0 H HIS A 28 24.738 15.435 -4.278 1.00 33.15 H new ATOM 0 HA HIS A 28 23.533 13.270 -2.934 1.00 50.42 H new ATOM 0 HB2 HIS A 28 23.172 14.062 -0.751 1.00 72.44 H new ATOM 0 HB3 HIS A 28 24.902 14.056 -1.028 1.00 72.44 H new ATOM 0 HD2 HIS A 28 25.970 16.533 -1.811 1.00 52.43 H new ATOM 0 HE1 HIS A 28 23.214 18.820 0.433 1.00 53.21 H new ATOM 0 HE2 HIS A 28 25.482 18.840 -0.824 1.00 31.41 H new ATOM 389 N LEU A 29 21.378 14.404 -3.330 1.00 3.45 N ATOM 390 CA LEU A 29 20.138 15.001 -3.796 1.00 20.23 C ATOM 391 C LEU A 29 19.453 15.719 -2.631 1.00 44.23 C ATOM 392 O LEU A 29 19.946 15.692 -1.504 1.00 72.25 O ATOM 393 CB LEU A 29 19.258 13.947 -4.471 1.00 52.44 C ATOM 394 CG LEU A 29 18.342 14.454 -5.587 1.00 51.33 C ATOM 395 CD1 LEU A 29 19.075 15.449 -6.489 1.00 43.10 C ATOM 396 CD2 LEU A 29 17.750 13.289 -6.382 1.00 74.13 C ATOM 0 H LEU A 29 21.295 13.436 -3.019 1.00 3.45 H new ATOM 0 HA LEU A 29 20.340 15.752 -4.559 1.00 20.23 H new ATOM 0 HB2 LEU A 29 19.904 13.172 -4.882 1.00 52.44 H new ATOM 0 HB3 LEU A 29 18.640 13.475 -3.707 1.00 52.44 H new ATOM 0 HG LEU A 29 17.509 14.988 -5.129 1.00 51.33 H new ATOM 0 HD11 LEU A 29 18.401 15.794 -7.274 1.00 43.10 H new ATOM 0 HD12 LEU A 29 19.407 16.301 -5.896 1.00 43.10 H new ATOM 0 HD13 LEU A 29 19.939 14.962 -6.941 1.00 43.10 H new ATOM 0 HD21 LEU A 29 17.103 13.677 -7.169 1.00 74.13 H new ATOM 0 HD22 LEU A 29 18.556 12.707 -6.829 1.00 74.13 H new ATOM 0 HD23 LEU A 29 17.169 12.652 -5.715 1.00 74.13 H new ATOM 408 N ASP A 30 18.328 16.345 -2.943 1.00 43.55 N ATOM 409 CA ASP A 30 17.571 17.070 -1.937 1.00 50.01 C ATOM 410 C ASP A 30 16.150 17.313 -2.451 1.00 23.33 C ATOM 411 O ASP A 30 15.889 17.188 -3.646 1.00 51.12 O ATOM 412 CB ASP A 30 18.206 18.430 -1.643 1.00 43.43 C ATOM 413 CG ASP A 30 19.735 18.429 -1.574 1.00 33.12 C ATOM 414 OD1 ASP A 30 20.420 18.195 -2.581 1.00 14.52 O ATOM 415 OD2 ASP A 30 20.228 18.684 -0.409 1.00 53.54 O ATOM 0 H ASP A 30 17.922 16.365 -3.879 1.00 43.55 H new ATOM 0 HA ASP A 30 17.563 16.472 -1.026 1.00 50.01 H new ATOM 0 HB2 ASP A 30 17.893 19.135 -2.413 1.00 43.43 H new ATOM 0 HB3 ASP A 30 17.815 18.799 -0.695 1.00 43.43 H new ATOM 421 N VAL A 31 15.270 17.655 -1.522 1.00 31.23 N ATOM 422 CA VAL A 31 13.882 17.916 -1.865 1.00 45.04 C ATOM 423 C VAL A 31 13.429 19.212 -1.189 1.00 63.45 C ATOM 424 O VAL A 31 13.860 19.521 -0.080 1.00 24.43 O ATOM 425 CB VAL A 31 13.015 16.712 -1.492 1.00 42.02 C ATOM 426 CG1 VAL A 31 11.537 16.995 -1.767 1.00 11.15 C ATOM 427 CG2 VAL A 31 13.478 15.453 -2.229 1.00 5.44 C ATOM 0 H VAL A 31 15.491 17.758 -0.532 1.00 31.23 H new ATOM 0 HA VAL A 31 13.774 18.056 -2.941 1.00 45.04 H new ATOM 0 HB VAL A 31 13.130 16.535 -0.423 1.00 42.02 H new ATOM 0 HG11 VAL A 31 10.943 16.123 -1.493 1.00 11.15 H new ATOM 0 HG12 VAL A 31 11.215 17.853 -1.177 1.00 11.15 H new ATOM 0 HG13 VAL A 31 11.399 17.210 -2.827 1.00 11.15 H new ATOM 0 HG21 VAL A 31 12.845 14.612 -1.946 1.00 5.44 H new ATOM 0 HG22 VAL A 31 13.407 15.614 -3.305 1.00 5.44 H new ATOM 0 HG23 VAL A 31 14.512 15.235 -1.962 1.00 5.44 H new ATOM 437 N VAL A 32 12.566 19.935 -1.887 1.00 74.30 N ATOM 438 CA VAL A 32 12.049 21.190 -1.368 1.00 63.11 C ATOM 439 C VAL A 32 10.569 21.318 -1.734 1.00 63.14 C ATOM 440 O VAL A 32 10.193 21.123 -2.889 1.00 33.30 O ATOM 441 CB VAL A 32 12.895 22.356 -1.882 1.00 45.33 C ATOM 442 CG1 VAL A 32 12.785 23.566 -0.952 1.00 32.20 C ATOM 443 CG2 VAL A 32 14.355 21.936 -2.064 1.00 43.14 C ATOM 0 H VAL A 32 12.212 19.676 -2.808 1.00 74.30 H new ATOM 0 HA VAL A 32 12.117 21.211 -0.280 1.00 63.11 H new ATOM 0 HB VAL A 32 12.506 22.647 -2.858 1.00 45.33 H new ATOM 0 HG11 VAL A 32 13.396 24.381 -1.341 1.00 32.20 H new ATOM 0 HG12 VAL A 32 11.745 23.888 -0.895 1.00 32.20 H new ATOM 0 HG13 VAL A 32 13.135 23.293 0.043 1.00 32.20 H new ATOM 0 HG21 VAL A 32 14.934 22.783 -2.430 1.00 43.14 H new ATOM 0 HG22 VAL A 32 14.760 21.605 -1.108 1.00 43.14 H new ATOM 0 HG23 VAL A 32 14.412 21.120 -2.784 1.00 43.14 H new ATOM 453 N LYS A 33 9.770 21.645 -0.730 1.00 1.14 N ATOM 454 CA LYS A 33 8.340 21.802 -0.931 1.00 73.54 C ATOM 455 C LYS A 33 8.072 23.127 -1.648 1.00 31.23 C ATOM 456 O LYS A 33 6.982 23.343 -2.174 1.00 75.43 O ATOM 457 CB LYS A 33 7.592 21.658 0.396 1.00 64.01 C ATOM 458 CG LYS A 33 7.938 22.806 1.347 1.00 61.13 C ATOM 459 CD LYS A 33 6.791 23.073 2.324 1.00 63.13 C ATOM 460 CE LYS A 33 5.574 23.648 1.596 1.00 3.25 C ATOM 461 NZ LYS A 33 4.695 24.367 2.546 1.00 43.02 N ATOM 0 H LYS A 33 10.086 21.806 0.226 1.00 1.14 H new ATOM 0 HA LYS A 33 7.957 21.009 -1.573 1.00 73.54 H new ATOM 0 HB2 LYS A 33 6.518 21.644 0.212 1.00 64.01 H new ATOM 0 HB3 LYS A 33 7.848 20.706 0.861 1.00 64.01 H new ATOM 0 HG2 LYS A 33 8.844 22.563 1.902 1.00 61.13 H new ATOM 0 HG3 LYS A 33 8.149 23.708 0.772 1.00 61.13 H new ATOM 0 HD2 LYS A 33 6.514 22.147 2.827 1.00 63.13 H new ATOM 0 HD3 LYS A 33 7.120 23.769 3.096 1.00 63.13 H new ATOM 0 HE2 LYS A 33 5.901 24.327 0.808 1.00 3.25 H new ATOM 0 HE3 LYS A 33 5.018 22.844 1.113 1.00 3.25 H new ATOM 0 HZ1 LYS A 33 3.874 24.751 2.036 1.00 43.02 H new ATOM 0 HZ2 LYS A 33 4.369 23.709 3.283 1.00 43.02 H new ATOM 0 HZ3 LYS A 33 5.224 25.146 2.987 1.00 43.02 H new ATOM 474 N GLY A 34 9.086 23.980 -1.644 1.00 73.23 N ATOM 475 CA GLY A 34 8.973 25.278 -2.287 1.00 45.12 C ATOM 476 C GLY A 34 10.097 26.213 -1.835 1.00 20.13 C ATOM 477 O GLY A 34 10.912 26.648 -2.647 1.00 24.44 O ATOM 0 H GLY A 34 9.989 23.798 -1.206 1.00 73.23 H new ATOM 0 HA2 GLY A 34 9.010 25.156 -3.370 1.00 45.12 H new ATOM 0 HA3 GLY A 34 8.007 25.723 -2.049 1.00 45.12 H new ATOM 481 N ASP A 35 10.104 26.495 -0.540 1.00 72.32 N ATOM 482 CA ASP A 35 11.114 27.370 0.030 1.00 52.00 C ATOM 483 C ASP A 35 11.631 26.762 1.335 1.00 10.44 C ATOM 484 O ASP A 35 12.156 27.474 2.190 1.00 23.02 O ATOM 485 CB ASP A 35 10.532 28.749 0.348 1.00 33.42 C ATOM 486 CG ASP A 35 9.296 28.736 1.250 1.00 11.32 C ATOM 487 OD1 ASP A 35 9.129 27.842 2.093 1.00 43.20 O ATOM 488 OD2 ASP A 35 8.471 29.710 1.059 1.00 64.24 O ATOM 0 H ASP A 35 9.426 26.133 0.130 1.00 72.32 H new ATOM 0 HA ASP A 35 11.918 27.477 -0.698 1.00 52.00 H new ATOM 0 HB2 ASP A 35 11.305 29.352 0.825 1.00 33.42 H new ATOM 0 HB3 ASP A 35 10.275 29.243 -0.589 1.00 33.42 H new ATOM 494 N LYS A 36 11.464 25.453 1.448 1.00 21.12 N ATOM 495 CA LYS A 36 11.907 24.741 2.635 1.00 5.41 C ATOM 496 C LYS A 36 12.383 23.343 2.238 1.00 64.41 C ATOM 497 O LYS A 36 11.689 22.629 1.516 1.00 63.34 O ATOM 498 CB LYS A 36 10.808 24.738 3.700 1.00 65.15 C ATOM 499 CG LYS A 36 10.933 23.516 4.612 1.00 72.00 C ATOM 500 CD LYS A 36 9.999 23.635 5.818 1.00 75.23 C ATOM 501 CE LYS A 36 8.672 22.919 5.556 1.00 52.21 C ATOM 502 NZ LYS A 36 7.954 22.677 6.827 1.00 21.53 N ATOM 0 H LYS A 36 11.028 24.866 0.737 1.00 21.12 H new ATOM 0 HA LYS A 36 12.757 25.250 3.089 1.00 5.41 H new ATOM 0 HB2 LYS A 36 10.871 25.649 4.295 1.00 65.15 H new ATOM 0 HB3 LYS A 36 9.830 24.739 3.219 1.00 65.15 H new ATOM 0 HG2 LYS A 36 10.695 22.613 4.051 1.00 72.00 H new ATOM 0 HG3 LYS A 36 11.963 23.416 4.954 1.00 72.00 H new ATOM 0 HD2 LYS A 36 10.479 23.208 6.698 1.00 75.23 H new ATOM 0 HD3 LYS A 36 9.812 24.687 6.036 1.00 75.23 H new ATOM 0 HE2 LYS A 36 8.053 23.520 4.890 1.00 52.21 H new ATOM 0 HE3 LYS A 36 8.857 21.972 5.050 1.00 52.21 H new ATOM 0 HZ1 LYS A 36 7.056 22.191 6.631 1.00 21.53 H new ATOM 0 HZ2 LYS A 36 8.540 22.085 7.449 1.00 21.53 H new ATOM 0 HZ3 LYS A 36 7.761 23.585 7.295 1.00 21.53 H new ATOM 515 N LEU A 37 13.564 22.993 2.727 1.00 31.12 N ATOM 516 CA LEU A 37 14.141 21.692 2.432 1.00 13.23 C ATOM 517 C LEU A 37 13.345 20.609 3.162 1.00 34.34 C ATOM 518 O LEU A 37 13.275 20.606 4.390 1.00 14.14 O ATOM 519 CB LEU A 37 15.635 21.683 2.759 1.00 64.51 C ATOM 520 CG LEU A 37 16.425 20.474 2.252 1.00 31.33 C ATOM 521 CD1 LEU A 37 15.883 19.175 2.852 1.00 60.32 C ATOM 522 CD2 LEU A 37 16.446 20.434 0.723 1.00 54.31 C ATOM 0 H LEU A 37 14.137 23.588 3.326 1.00 31.12 H new ATOM 0 HA LEU A 37 14.070 21.476 1.366 1.00 13.23 H new ATOM 0 HB2 LEU A 37 16.083 22.585 2.343 1.00 64.51 H new ATOM 0 HB3 LEU A 37 15.750 21.740 3.841 1.00 64.51 H new ATOM 0 HG LEU A 37 17.458 20.577 2.585 1.00 31.33 H new ATOM 0 HD11 LEU A 37 16.462 18.331 2.476 1.00 60.32 H new ATOM 0 HD12 LEU A 37 15.964 19.215 3.938 1.00 60.32 H new ATOM 0 HD13 LEU A 37 14.837 19.052 2.570 1.00 60.32 H new ATOM 0 HD21 LEU A 37 17.014 19.565 0.390 1.00 54.31 H new ATOM 0 HD22 LEU A 37 15.425 20.367 0.347 1.00 54.31 H new ATOM 0 HD23 LEU A 37 16.914 21.342 0.342 1.00 54.31 H new ATOM 534 N ILE A 38 12.765 19.714 2.376 1.00 54.23 N ATOM 535 CA ILE A 38 11.976 18.628 2.932 1.00 61.20 C ATOM 536 C ILE A 38 12.914 17.535 3.447 1.00 22.45 C ATOM 537 O ILE A 38 13.121 17.407 4.653 1.00 20.13 O ATOM 538 CB ILE A 38 10.954 18.129 1.909 1.00 61.15 C ATOM 539 CG1 ILE A 38 10.019 19.259 1.472 1.00 61.41 C ATOM 540 CG2 ILE A 38 10.183 16.922 2.447 1.00 12.43 C ATOM 541 CD1 ILE A 38 9.130 19.713 2.631 1.00 1.41 C ATOM 0 H ILE A 38 12.826 19.719 1.358 1.00 54.23 H new ATOM 0 HA ILE A 38 11.394 18.978 3.784 1.00 61.20 H new ATOM 0 HB ILE A 38 11.493 17.796 1.022 1.00 61.15 H new ATOM 0 HG12 ILE A 38 10.607 20.102 1.108 1.00 61.41 H new ATOM 0 HG13 ILE A 38 9.397 18.922 0.643 1.00 61.41 H new ATOM 0 HG21 ILE A 38 9.463 16.588 1.700 1.00 12.43 H new ATOM 0 HG22 ILE A 38 10.880 16.113 2.667 1.00 12.43 H new ATOM 0 HG23 ILE A 38 9.656 17.204 3.358 1.00 12.43 H new ATOM 0 HD11 ILE A 38 8.475 20.517 2.294 1.00 1.41 H new ATOM 0 HD12 ILE A 38 8.526 18.874 2.977 1.00 1.41 H new ATOM 0 HD13 ILE A 38 9.754 20.072 3.449 1.00 1.41 H new ATOM 553 N GLU A 39 13.457 16.774 2.508 1.00 31.23 N ATOM 554 CA GLU A 39 14.368 15.696 2.852 1.00 22.45 C ATOM 555 C GLU A 39 15.641 15.786 2.008 1.00 53.21 C ATOM 556 O GLU A 39 15.743 16.633 1.121 1.00 34.34 O ATOM 557 CB GLU A 39 13.694 14.333 2.683 1.00 32.33 C ATOM 558 CG GLU A 39 13.739 13.876 1.224 1.00 55.23 C ATOM 559 CD GLU A 39 12.617 12.879 0.927 1.00 53.15 C ATOM 560 OE1 GLU A 39 12.867 11.666 0.859 1.00 11.41 O ATOM 561 OE2 GLU A 39 11.450 13.404 0.764 1.00 34.01 O ATOM 0 H GLU A 39 13.283 16.883 1.509 1.00 31.23 H new ATOM 0 HA GLU A 39 14.643 15.801 3.901 1.00 22.45 H new ATOM 0 HB2 GLU A 39 14.192 13.597 3.314 1.00 32.33 H new ATOM 0 HB3 GLU A 39 12.658 14.392 3.018 1.00 32.33 H new ATOM 0 HG2 GLU A 39 13.647 14.740 0.566 1.00 55.23 H new ATOM 0 HG3 GLU A 39 14.704 13.416 1.013 1.00 55.23 H new ATOM 569 N LYS A 40 16.579 14.902 2.313 1.00 43.21 N ATOM 570 CA LYS A 40 17.841 14.872 1.593 1.00 61.31 C ATOM 571 C LYS A 40 18.150 13.433 1.175 1.00 23.21 C ATOM 572 O LYS A 40 17.818 12.490 1.891 1.00 21.44 O ATOM 573 CB LYS A 40 18.948 15.522 2.425 1.00 44.14 C ATOM 574 CG LYS A 40 19.943 16.264 1.529 1.00 30.32 C ATOM 575 CD LYS A 40 21.128 16.789 2.343 1.00 74.52 C ATOM 576 CE LYS A 40 20.665 17.334 3.695 1.00 21.04 C ATOM 577 NZ LYS A 40 21.822 17.814 4.484 1.00 50.23 N ATOM 0 H LYS A 40 16.491 14.201 3.049 1.00 43.21 H new ATOM 0 HA LYS A 40 17.773 15.462 0.679 1.00 61.31 H new ATOM 0 HB2 LYS A 40 18.509 16.217 3.141 1.00 44.14 H new ATOM 0 HB3 LYS A 40 19.471 14.759 3.001 1.00 44.14 H new ATOM 0 HG2 LYS A 40 20.302 15.595 0.747 1.00 30.32 H new ATOM 0 HG3 LYS A 40 19.442 17.095 1.033 1.00 30.32 H new ATOM 0 HD2 LYS A 40 21.851 15.988 2.498 1.00 74.52 H new ATOM 0 HD3 LYS A 40 21.638 17.575 1.785 1.00 74.52 H new ATOM 0 HE2 LYS A 40 19.958 18.149 3.542 1.00 21.04 H new ATOM 0 HE3 LYS A 40 20.139 16.555 4.247 1.00 21.04 H new ATOM 0 HZ1 LYS A 40 21.490 18.181 5.399 1.00 50.23 H new ATOM 0 HZ2 LYS A 40 22.483 17.027 4.645 1.00 50.23 H new ATOM 0 HZ3 LYS A 40 22.307 18.572 3.963 1.00 50.23 H new ATOM 590 N LEU A 41 18.783 13.309 0.017 1.00 12.54 N ATOM 591 CA LEU A 41 19.141 12.001 -0.504 1.00 54.43 C ATOM 592 C LEU A 41 20.568 12.049 -1.054 1.00 13.22 C ATOM 593 O LEU A 41 21.144 13.126 -1.201 1.00 61.34 O ATOM 594 CB LEU A 41 18.104 11.530 -1.526 1.00 13.11 C ATOM 595 CG LEU A 41 16.662 11.974 -1.272 1.00 13.23 C ATOM 596 CD1 LEU A 41 15.862 12.014 -2.576 1.00 4.14 C ATOM 597 CD2 LEU A 41 15.994 11.090 -0.217 1.00 14.13 C ATOM 0 H LEU A 41 19.057 14.093 -0.575 1.00 12.54 H new ATOM 0 HA LEU A 41 19.131 11.257 0.293 1.00 54.43 H new ATOM 0 HB2 LEU A 41 18.405 11.888 -2.511 1.00 13.11 H new ATOM 0 HB3 LEU A 41 18.127 10.441 -1.562 1.00 13.11 H new ATOM 0 HG LEU A 41 16.682 12.989 -0.876 1.00 13.23 H new ATOM 0 HD11 LEU A 41 14.841 12.333 -2.367 1.00 4.14 H new ATOM 0 HD12 LEU A 41 16.327 12.717 -3.267 1.00 4.14 H new ATOM 0 HD13 LEU A 41 15.847 11.021 -3.025 1.00 4.14 H new ATOM 0 HD21 LEU A 41 14.970 11.427 -0.055 1.00 14.13 H new ATOM 0 HD22 LEU A 41 15.986 10.056 -0.561 1.00 14.13 H new ATOM 0 HD23 LEU A 41 16.550 11.157 0.718 1.00 14.13 H new ATOM 609 N ILE A 42 21.097 10.869 -1.342 1.00 14.11 N ATOM 610 CA ILE A 42 22.445 10.763 -1.872 1.00 23.31 C ATOM 611 C ILE A 42 22.380 10.314 -3.333 1.00 44.43 C ATOM 612 O ILE A 42 21.485 9.564 -3.717 1.00 32.41 O ATOM 613 CB ILE A 42 23.299 9.852 -0.987 1.00 14.14 C ATOM 614 CG1 ILE A 42 23.645 10.540 0.335 1.00 13.43 C ATOM 615 CG2 ILE A 42 24.549 9.379 -1.731 1.00 32.20 C ATOM 616 CD1 ILE A 42 22.378 10.973 1.076 1.00 11.22 C ATOM 0 H ILE A 42 20.616 9.978 -1.218 1.00 14.11 H new ATOM 0 HA ILE A 42 22.937 11.736 -1.858 1.00 23.31 H new ATOM 0 HB ILE A 42 22.714 8.965 -0.745 1.00 14.14 H new ATOM 0 HG12 ILE A 42 24.223 9.861 0.962 1.00 13.43 H new ATOM 0 HG13 ILE A 42 24.273 11.410 0.143 1.00 13.43 H new ATOM 0 HG21 ILE A 42 25.138 8.733 -1.079 1.00 32.20 H new ATOM 0 HG22 ILE A 42 24.254 8.824 -2.622 1.00 32.20 H new ATOM 0 HG23 ILE A 42 25.147 10.242 -2.023 1.00 32.20 H new ATOM 0 HD11 ILE A 42 22.652 11.459 2.012 1.00 11.22 H new ATOM 0 HD12 ILE A 42 21.814 11.671 0.456 1.00 11.22 H new ATOM 0 HD13 ILE A 42 21.764 10.098 1.288 1.00 11.22 H new ATOM 628 N ILE A 43 23.341 10.794 -4.109 1.00 65.22 N ATOM 629 CA ILE A 43 23.405 10.452 -5.520 1.00 72.20 C ATOM 630 C ILE A 43 24.864 10.220 -5.919 1.00 75.21 C ATOM 631 O ILE A 43 25.188 10.185 -7.105 1.00 63.10 O ATOM 632 CB ILE A 43 22.699 11.517 -6.362 1.00 32.33 C ATOM 633 CG1 ILE A 43 23.155 12.922 -5.964 1.00 24.34 C ATOM 634 CG2 ILE A 43 21.179 11.363 -6.278 1.00 72.31 C ATOM 635 CD1 ILE A 43 24.086 13.516 -7.022 1.00 42.34 C ATOM 0 H ILE A 43 24.082 11.417 -3.787 1.00 65.22 H new ATOM 0 HA ILE A 43 22.870 9.522 -5.711 1.00 72.20 H new ATOM 0 HB ILE A 43 22.981 11.370 -7.405 1.00 32.33 H new ATOM 0 HG12 ILE A 43 22.286 13.567 -5.835 1.00 24.34 H new ATOM 0 HG13 ILE A 43 23.668 12.883 -5.003 1.00 24.34 H new ATOM 0 HG21 ILE A 43 20.701 12.132 -6.885 1.00 72.31 H new ATOM 0 HG22 ILE A 43 20.892 10.379 -6.648 1.00 72.31 H new ATOM 0 HG23 ILE A 43 20.859 11.469 -5.241 1.00 72.31 H new ATOM 0 HD11 ILE A 43 24.396 14.515 -6.715 1.00 42.34 H new ATOM 0 HD12 ILE A 43 24.965 12.881 -7.131 1.00 42.34 H new ATOM 0 HD13 ILE A 43 23.562 13.576 -7.976 1.00 42.34 H new ATOM 647 N ASP A 44 25.704 10.067 -4.906 1.00 53.41 N ATOM 648 CA ASP A 44 27.120 9.840 -5.136 1.00 62.35 C ATOM 649 C ASP A 44 27.459 8.385 -4.804 1.00 43.31 C ATOM 650 O ASP A 44 28.431 8.116 -4.100 1.00 1.12 O ATOM 651 CB ASP A 44 27.975 10.741 -4.243 1.00 62.50 C ATOM 652 CG ASP A 44 28.046 10.316 -2.775 1.00 31.41 C ATOM 653 OD1 ASP A 44 27.309 9.421 -2.333 1.00 5.33 O ATOM 654 OD2 ASP A 44 28.914 10.953 -2.064 1.00 73.32 O ATOM 0 H ASP A 44 25.431 10.096 -3.924 1.00 53.41 H new ATOM 0 HA ASP A 44 27.332 10.064 -6.181 1.00 62.35 H new ATOM 0 HB2 ASP A 44 28.987 10.772 -4.646 1.00 62.50 H new ATOM 0 HB3 ASP A 44 27.581 11.756 -4.293 1.00 62.50 H new ATOM 660 N GLU A 45 26.639 7.486 -5.327 1.00 20.43 N ATOM 661 CA GLU A 45 26.840 6.065 -5.094 1.00 52.43 C ATOM 662 C GLU A 45 26.733 5.292 -6.410 1.00 73.10 C ATOM 663 O GLU A 45 27.565 4.433 -6.699 1.00 12.31 O ATOM 664 CB GLU A 45 25.844 5.533 -4.062 1.00 72.54 C ATOM 665 CG GLU A 45 25.442 6.627 -3.072 1.00 2.23 C ATOM 666 CD GLU A 45 25.125 6.034 -1.698 1.00 31.43 C ATOM 667 OE1 GLU A 45 23.974 5.653 -1.438 1.00 32.13 O ATOM 668 OE2 GLU A 45 26.125 5.973 -0.886 1.00 3.55 O ATOM 0 H GLU A 45 25.834 7.713 -5.911 1.00 20.43 H new ATOM 0 HA GLU A 45 27.842 5.920 -4.691 1.00 52.43 H new ATOM 0 HB2 GLU A 45 24.957 5.153 -4.570 1.00 72.54 H new ATOM 0 HB3 GLU A 45 26.286 4.695 -3.523 1.00 72.54 H new ATOM 0 HG2 GLU A 45 26.249 7.354 -2.981 1.00 2.23 H new ATOM 0 HG3 GLU A 45 24.571 7.163 -3.450 1.00 2.23 H new ATOM 676 N LYS A 46 25.701 5.624 -7.172 1.00 63.15 N ATOM 677 CA LYS A 46 25.475 4.971 -8.451 1.00 13.13 C ATOM 678 C LYS A 46 25.631 5.996 -9.576 1.00 72.54 C ATOM 679 O LYS A 46 26.030 7.133 -9.334 1.00 42.41 O ATOM 680 CB LYS A 46 24.123 4.255 -8.454 1.00 72.32 C ATOM 681 CG LYS A 46 23.045 5.114 -7.791 1.00 11.52 C ATOM 682 CD LYS A 46 22.792 6.392 -8.593 1.00 41.42 C ATOM 683 CE LYS A 46 23.312 7.622 -7.845 1.00 35.44 C ATOM 684 NZ LYS A 46 22.561 8.831 -8.250 1.00 70.14 N ATOM 0 H LYS A 46 25.012 6.336 -6.929 1.00 63.15 H new ATOM 0 HA LYS A 46 26.221 4.195 -8.621 1.00 13.13 H new ATOM 0 HB2 LYS A 46 23.831 4.026 -9.479 1.00 72.32 H new ATOM 0 HB3 LYS A 46 24.210 3.304 -7.928 1.00 72.32 H new ATOM 0 HG2 LYS A 46 22.120 4.543 -7.708 1.00 11.52 H new ATOM 0 HG3 LYS A 46 23.352 5.371 -6.777 1.00 11.52 H new ATOM 0 HD2 LYS A 46 23.282 6.319 -9.564 1.00 41.42 H new ATOM 0 HD3 LYS A 46 21.724 6.502 -8.782 1.00 41.42 H new ATOM 0 HE2 LYS A 46 23.215 7.469 -6.770 1.00 35.44 H new ATOM 0 HE3 LYS A 46 24.373 7.759 -8.053 1.00 35.44 H new ATOM 0 HZ1 LYS A 46 23.143 9.675 -8.078 1.00 70.14 H new ATOM 0 HZ2 LYS A 46 22.327 8.772 -9.262 1.00 70.14 H new ATOM 0 HZ3 LYS A 46 21.684 8.897 -7.695 1.00 70.14 H new ATOM 697 N LYS A 47 25.307 5.555 -10.783 1.00 65.23 N ATOM 698 CA LYS A 47 25.407 6.419 -11.947 1.00 52.11 C ATOM 699 C LYS A 47 24.015 6.616 -12.551 1.00 71.10 C ATOM 700 O LYS A 47 23.849 7.378 -13.503 1.00 22.45 O ATOM 701 CB LYS A 47 26.435 5.868 -12.937 1.00 54.25 C ATOM 702 CG LYS A 47 25.750 5.088 -14.061 1.00 54.04 C ATOM 703 CD LYS A 47 25.136 3.790 -13.533 1.00 23.21 C ATOM 704 CE LYS A 47 26.211 2.880 -12.933 1.00 15.40 C ATOM 705 NZ LYS A 47 25.681 1.512 -12.737 1.00 41.33 N ATOM 0 H LYS A 47 24.975 4.611 -10.980 1.00 65.23 H new ATOM 0 HA LYS A 47 25.773 7.405 -11.660 1.00 52.11 H new ATOM 0 HB2 LYS A 47 27.014 6.689 -13.360 1.00 54.25 H new ATOM 0 HB3 LYS A 47 27.137 5.218 -12.414 1.00 54.25 H new ATOM 0 HG2 LYS A 47 24.973 5.704 -14.515 1.00 54.04 H new ATOM 0 HG3 LYS A 47 26.474 4.860 -14.844 1.00 54.04 H new ATOM 0 HD2 LYS A 47 24.385 4.020 -12.777 1.00 23.21 H new ATOM 0 HD3 LYS A 47 24.624 3.270 -14.343 1.00 23.21 H new ATOM 0 HE2 LYS A 47 27.079 2.849 -13.592 1.00 15.40 H new ATOM 0 HE3 LYS A 47 26.549 3.286 -11.979 1.00 15.40 H new ATOM 0 HZ1 LYS A 47 26.423 0.907 -12.329 1.00 41.33 H new ATOM 0 HZ2 LYS A 47 24.867 1.544 -12.091 1.00 41.33 H new ATOM 0 HZ3 LYS A 47 25.381 1.122 -13.653 1.00 41.33 H new ATOM 718 N TYR A 48 23.050 5.916 -11.973 1.00 73.02 N ATOM 719 CA TYR A 48 21.677 6.004 -12.443 1.00 4.25 C ATOM 720 C TYR A 48 20.703 5.470 -11.391 1.00 72.41 C ATOM 721 O TYR A 48 20.829 4.331 -10.944 1.00 65.54 O ATOM 722 CB TYR A 48 21.600 5.120 -13.689 1.00 23.24 C ATOM 723 CG TYR A 48 20.969 3.749 -13.440 1.00 72.52 C ATOM 724 CD1 TYR A 48 19.624 3.651 -13.145 1.00 1.33 C ATOM 725 CD2 TYR A 48 21.744 2.609 -13.512 1.00 33.24 C ATOM 726 CE1 TYR A 48 19.030 2.361 -12.911 1.00 32.40 C ATOM 727 CE2 TYR A 48 21.149 1.318 -13.278 1.00 4.21 C ATOM 728 CZ TYR A 48 19.822 1.258 -12.989 1.00 72.21 C ATOM 729 OH TYR A 48 19.260 0.039 -12.768 1.00 64.13 O ATOM 0 H TYR A 48 23.191 5.285 -11.184 1.00 73.02 H new ATOM 0 HA TYR A 48 21.407 7.040 -12.649 1.00 4.25 H new ATOM 0 HB2 TYR A 48 21.025 5.639 -14.456 1.00 23.24 H new ATOM 0 HB3 TYR A 48 22.606 4.979 -14.085 1.00 23.24 H new ATOM 0 HD1 TYR A 48 19.017 4.543 -13.090 1.00 1.33 H new ATOM 0 HD2 TYR A 48 22.796 2.685 -13.744 1.00 33.24 H new ATOM 0 HE1 TYR A 48 17.979 2.271 -12.679 1.00 32.40 H new ATOM 0 HE2 TYR A 48 21.744 0.418 -13.331 1.00 4.21 H new ATOM 0 HH TYR A 48 19.944 -0.657 -12.858 1.00 64.13 H new ATOM 739 N TYR A 49 19.752 6.317 -11.026 1.00 42.34 N ATOM 740 CA TYR A 49 18.757 5.944 -10.036 1.00 13.41 C ATOM 741 C TYR A 49 17.351 5.959 -10.639 1.00 54.31 C ATOM 742 O TYR A 49 17.195 6.021 -11.858 1.00 33.44 O ATOM 743 CB TYR A 49 18.838 7.005 -8.936 1.00 61.11 C ATOM 744 CG TYR A 49 19.601 6.551 -7.690 1.00 14.44 C ATOM 745 CD1 TYR A 49 19.491 5.248 -7.250 1.00 22.21 C ATOM 746 CD2 TYR A 49 20.398 7.446 -7.005 1.00 30.02 C ATOM 747 CE1 TYR A 49 20.209 4.821 -6.077 1.00 32.02 C ATOM 748 CE2 TYR A 49 21.116 7.019 -5.832 1.00 14.14 C ATOM 749 CZ TYR A 49 20.986 5.728 -5.425 1.00 74.35 C ATOM 750 OH TYR A 49 21.663 5.325 -4.317 1.00 63.44 O ATOM 0 H TYR A 49 19.650 7.261 -11.399 1.00 42.34 H new ATOM 0 HA TYR A 49 18.947 4.938 -9.662 1.00 13.41 H new ATOM 0 HB2 TYR A 49 19.319 7.896 -9.339 1.00 61.11 H new ATOM 0 HB3 TYR A 49 17.827 7.292 -8.646 1.00 61.11 H new ATOM 0 HD1 TYR A 49 18.866 4.548 -7.785 1.00 22.21 H new ATOM 0 HD2 TYR A 49 20.483 8.466 -7.349 1.00 30.02 H new ATOM 0 HE1 TYR A 49 20.132 3.804 -5.723 1.00 32.02 H new ATOM 0 HE2 TYR A 49 21.744 7.709 -5.288 1.00 14.14 H new ATOM 0 HH TYR A 49 22.177 6.077 -3.956 1.00 63.44 H new ATOM 760 N LEU A 50 16.363 5.902 -9.758 1.00 53.31 N ATOM 761 CA LEU A 50 14.975 5.909 -10.188 1.00 71.54 C ATOM 762 C LEU A 50 14.194 6.932 -9.362 1.00 12.10 C ATOM 763 O LEU A 50 14.749 7.566 -8.466 1.00 45.35 O ATOM 764 CB LEU A 50 14.390 4.496 -10.131 1.00 13.05 C ATOM 765 CG LEU A 50 14.969 3.489 -11.126 1.00 72.21 C ATOM 766 CD1 LEU A 50 15.978 2.563 -10.445 1.00 4.03 C ATOM 767 CD2 LEU A 50 13.855 2.707 -11.825 1.00 61.33 C ATOM 0 H LEU A 50 16.496 5.851 -8.748 1.00 53.31 H new ATOM 0 HA LEU A 50 14.901 6.218 -11.231 1.00 71.54 H new ATOM 0 HB2 LEU A 50 14.534 4.105 -9.124 1.00 13.05 H new ATOM 0 HB3 LEU A 50 13.315 4.563 -10.296 1.00 13.05 H new ATOM 0 HG LEU A 50 15.508 4.041 -11.896 1.00 72.21 H new ATOM 0 HD11 LEU A 50 16.374 1.857 -11.175 1.00 4.03 H new ATOM 0 HD12 LEU A 50 16.795 3.155 -10.033 1.00 4.03 H new ATOM 0 HD13 LEU A 50 15.485 2.016 -9.642 1.00 4.03 H new ATOM 0 HD21 LEU A 50 14.294 1.998 -12.527 1.00 61.33 H new ATOM 0 HD22 LEU A 50 13.269 2.166 -11.082 1.00 61.33 H new ATOM 0 HD23 LEU A 50 13.208 3.399 -12.365 1.00 61.33 H new ATOM 779 N PHE A 51 12.917 7.061 -9.692 1.00 42.51 N ATOM 780 CA PHE A 51 12.054 7.997 -8.992 1.00 1.34 C ATOM 781 C PHE A 51 10.583 7.742 -9.325 1.00 70.35 C ATOM 782 O PHE A 51 10.145 7.993 -10.447 1.00 34.40 O ATOM 783 CB PHE A 51 12.436 9.400 -9.467 1.00 44.32 C ATOM 784 CG PHE A 51 13.362 10.152 -8.508 1.00 63.53 C ATOM 785 CD1 PHE A 51 12.892 10.584 -7.308 1.00 13.21 C ATOM 786 CD2 PHE A 51 14.656 10.387 -8.856 1.00 72.54 C ATOM 787 CE1 PHE A 51 13.751 11.281 -6.418 1.00 1.40 C ATOM 788 CE2 PHE A 51 15.515 11.084 -7.967 1.00 21.35 C ATOM 789 CZ PHE A 51 15.045 11.516 -6.766 1.00 54.41 C ATOM 0 H PHE A 51 12.459 6.533 -10.435 1.00 42.51 H new ATOM 0 HA PHE A 51 12.180 7.884 -7.915 1.00 1.34 H new ATOM 0 HB2 PHE A 51 12.922 9.323 -10.440 1.00 44.32 H new ATOM 0 HB3 PHE A 51 11.527 9.984 -9.610 1.00 44.32 H new ATOM 0 HD1 PHE A 51 11.865 10.397 -7.031 1.00 13.21 H new ATOM 0 HD2 PHE A 51 15.030 10.043 -9.809 1.00 72.54 H new ATOM 0 HE1 PHE A 51 13.377 11.625 -5.465 1.00 1.40 H new ATOM 0 HE2 PHE A 51 16.542 11.271 -8.244 1.00 21.35 H new ATOM 0 HZ PHE A 51 15.699 12.045 -6.089 1.00 54.41 H new ATOM 799 N GLY A 52 9.861 7.246 -8.331 1.00 62.33 N ATOM 800 CA GLY A 52 8.449 6.953 -8.505 1.00 55.43 C ATOM 801 C GLY A 52 7.757 6.767 -7.153 1.00 55.05 C ATOM 802 O GLY A 52 7.431 7.743 -6.479 1.00 23.32 O ATOM 0 H GLY A 52 10.228 7.040 -7.402 1.00 62.33 H new ATOM 0 HA2 GLY A 52 7.971 7.764 -9.054 1.00 55.43 H new ATOM 0 HA3 GLY A 52 8.332 6.050 -9.105 1.00 55.43 H new ATOM 806 N ARG A 53 7.552 5.507 -6.798 1.00 51.12 N ATOM 807 CA ARG A 53 6.904 5.180 -5.539 1.00 44.31 C ATOM 808 C ARG A 53 7.273 3.760 -5.106 1.00 31.02 C ATOM 809 O ARG A 53 7.564 3.520 -3.935 1.00 12.21 O ATOM 810 CB ARG A 53 5.383 5.292 -5.657 1.00 21.31 C ATOM 811 CG ARG A 53 4.986 6.055 -6.922 1.00 75.21 C ATOM 812 CD ARG A 53 3.464 6.131 -7.061 1.00 13.32 C ATOM 813 NE ARG A 53 2.904 4.774 -7.248 1.00 52.34 N ATOM 814 CZ ARG A 53 1.617 4.524 -7.571 1.00 51.41 C ATOM 815 NH1 ARG A 53 0.745 5.540 -7.745 1.00 34.11 N ATOM 816 NH2 ARG A 53 1.224 3.272 -7.714 1.00 4.21 N ATOM 0 H ARG A 53 7.823 4.700 -7.360 1.00 51.12 H new ATOM 0 HA ARG A 53 7.252 5.893 -4.792 1.00 44.31 H new ATOM 0 HB2 ARG A 53 4.942 4.295 -5.676 1.00 21.31 H new ATOM 0 HB3 ARG A 53 4.983 5.801 -4.780 1.00 21.31 H new ATOM 0 HG2 ARG A 53 5.403 7.062 -6.890 1.00 75.21 H new ATOM 0 HG3 ARG A 53 5.411 5.562 -7.797 1.00 75.21 H new ATOM 0 HD2 ARG A 53 3.032 6.592 -6.173 1.00 13.32 H new ATOM 0 HD3 ARG A 53 3.199 6.763 -7.909 1.00 13.32 H new ATOM 0 HE ARG A 53 3.529 3.978 -7.125 1.00 52.34 H new ATOM 0 HH11 ARG A 53 1.057 6.505 -7.633 1.00 34.11 H new ATOM 0 HH12 ARG A 53 -0.226 5.343 -7.989 1.00 34.11 H new ATOM 0 HH21 ARG A 53 1.889 2.510 -7.581 1.00 4.21 H new ATOM 0 HH22 ARG A 53 0.255 3.066 -7.958 1.00 4.21 H new ATOM 829 N ASN A 54 7.248 2.855 -6.073 1.00 44.23 N ATOM 830 CA ASN A 54 7.576 1.465 -5.806 1.00 43.05 C ATOM 831 C ASN A 54 9.097 1.309 -5.732 1.00 55.31 C ATOM 832 O ASN A 54 9.788 1.446 -6.740 1.00 22.30 O ATOM 833 CB ASN A 54 7.062 0.554 -6.923 1.00 32.25 C ATOM 834 CG ASN A 54 6.201 -0.576 -6.355 1.00 30.45 C ATOM 835 OD1 ASN A 54 5.072 -0.796 -6.761 1.00 72.01 O ATOM 836 ND2 ASN A 54 6.795 -1.279 -5.394 1.00 44.14 N ATOM 0 H ASN A 54 7.006 3.057 -7.043 1.00 44.23 H new ATOM 0 HA ASN A 54 7.106 1.183 -4.864 1.00 43.05 H new ATOM 0 HB2 ASN A 54 6.479 1.138 -7.634 1.00 32.25 H new ATOM 0 HB3 ASN A 54 7.905 0.134 -7.471 1.00 32.25 H new ATOM 0 HD21 ASN A 54 6.303 -2.055 -4.951 1.00 44.14 H new ATOM 0 HD22 ASN A 54 7.743 -1.042 -5.101 1.00 44.14 H new ATOM 843 N PRO A 55 9.585 1.018 -4.497 1.00 13.24 N ATOM 844 CA PRO A 55 11.010 0.842 -4.277 1.00 42.44 C ATOM 845 C PRO A 55 11.486 -0.506 -4.821 1.00 65.13 C ATOM 846 O PRO A 55 12.674 -0.689 -5.083 1.00 23.40 O ATOM 847 CB PRO A 55 11.197 0.976 -2.775 1.00 12.31 C ATOM 848 CG PRO A 55 9.822 0.758 -2.163 1.00 44.22 C ATOM 849 CD PRO A 55 8.795 0.849 -3.280 1.00 4.30 C ATOM 0 HA PRO A 55 11.611 1.581 -4.806 1.00 42.44 H new ATOM 0 HB2 PRO A 55 11.911 0.241 -2.403 1.00 12.31 H new ATOM 0 HB3 PRO A 55 11.588 1.960 -2.516 1.00 12.31 H new ATOM 0 HG2 PRO A 55 9.771 -0.216 -1.676 1.00 44.22 H new ATOM 0 HG3 PRO A 55 9.621 1.508 -1.398 1.00 44.22 H new ATOM 0 HD2 PRO A 55 8.181 -0.051 -3.328 1.00 4.30 H new ATOM 0 HD3 PRO A 55 8.118 1.689 -3.128 1.00 4.30 H new ATOM 857 N ASP A 56 10.535 -1.415 -4.975 1.00 61.24 N ATOM 858 CA ASP A 56 10.842 -2.741 -5.484 1.00 25.45 C ATOM 859 C ASP A 56 11.457 -2.618 -6.879 1.00 75.24 C ATOM 860 O ASP A 56 12.056 -3.567 -7.384 1.00 11.43 O ATOM 861 CB ASP A 56 9.578 -3.594 -5.597 1.00 75.50 C ATOM 862 CG ASP A 56 9.783 -4.975 -6.223 1.00 72.23 C ATOM 863 OD1 ASP A 56 10.873 -5.559 -6.139 1.00 24.25 O ATOM 864 OD2 ASP A 56 8.751 -5.459 -6.827 1.00 54.34 O ATOM 0 H ASP A 56 9.551 -1.260 -4.756 1.00 61.24 H new ATOM 0 HA ASP A 56 11.536 -3.216 -4.790 1.00 25.45 H new ATOM 0 HB2 ASP A 56 9.154 -3.723 -4.601 1.00 75.50 H new ATOM 0 HB3 ASP A 56 8.842 -3.049 -6.188 1.00 75.50 H new ATOM 870 N LEU A 57 11.286 -1.442 -7.464 1.00 50.34 N ATOM 871 CA LEU A 57 11.816 -1.182 -8.792 1.00 70.32 C ATOM 872 C LEU A 57 12.745 0.032 -8.737 1.00 41.04 C ATOM 873 O LEU A 57 13.858 -0.010 -9.259 1.00 43.41 O ATOM 874 CB LEU A 57 10.678 -1.041 -9.805 1.00 50.31 C ATOM 875 CG LEU A 57 9.332 -1.638 -9.389 1.00 40.04 C ATOM 876 CD1 LEU A 57 8.210 -1.155 -10.311 1.00 21.31 C ATOM 877 CD2 LEU A 57 9.406 -3.165 -9.327 1.00 55.11 C ATOM 0 H LEU A 57 10.788 -0.658 -7.043 1.00 50.34 H new ATOM 0 HA LEU A 57 12.414 -2.026 -9.135 1.00 70.32 H new ATOM 0 HB2 LEU A 57 10.534 0.019 -10.014 1.00 50.31 H new ATOM 0 HB3 LEU A 57 10.989 -1.511 -10.738 1.00 50.31 H new ATOM 0 HG LEU A 57 9.097 -1.286 -8.385 1.00 40.04 H new ATOM 0 HD11 LEU A 57 7.264 -1.594 -9.994 1.00 21.31 H new ATOM 0 HD12 LEU A 57 8.141 -0.068 -10.261 1.00 21.31 H new ATOM 0 HD13 LEU A 57 8.425 -1.458 -11.336 1.00 21.31 H new ATOM 0 HD21 LEU A 57 8.437 -3.564 -9.029 1.00 55.11 H new ATOM 0 HD22 LEU A 57 9.674 -3.556 -10.308 1.00 55.11 H new ATOM 0 HD23 LEU A 57 10.161 -3.463 -8.599 1.00 55.11 H new ATOM 889 N CYS A 58 12.253 1.085 -8.101 1.00 65.01 N ATOM 890 CA CYS A 58 13.026 2.309 -7.971 1.00 71.14 C ATOM 891 C CYS A 58 13.794 2.254 -6.650 1.00 4.14 C ATOM 892 O CYS A 58 13.493 1.431 -5.786 1.00 45.42 O ATOM 893 CB CYS A 58 12.137 3.551 -8.064 1.00 22.01 C ATOM 894 SG CYS A 58 11.124 3.483 -9.586 1.00 15.20 S ATOM 0 H CYS A 58 11.329 1.116 -7.670 1.00 65.01 H new ATOM 0 HA CYS A 58 13.733 2.386 -8.797 1.00 71.14 H new ATOM 0 HB2 CYS A 58 11.490 3.611 -7.189 1.00 22.01 H new ATOM 0 HB3 CYS A 58 12.753 4.450 -8.067 1.00 22.01 H new ATOM 0 HG CYS A 58 9.906 3.846 -9.313 1.00 15.20 H new ATOM 900 N ASP A 59 14.772 3.141 -6.533 1.00 72.11 N ATOM 901 CA ASP A 59 15.586 3.204 -5.331 1.00 72.11 C ATOM 902 C ASP A 59 14.965 4.202 -4.352 1.00 0.13 C ATOM 903 O ASP A 59 15.049 4.020 -3.138 1.00 55.21 O ATOM 904 CB ASP A 59 17.005 3.676 -5.651 1.00 43.23 C ATOM 905 CG ASP A 59 18.086 3.171 -4.694 1.00 25.31 C ATOM 906 OD1 ASP A 59 18.490 1.999 -4.747 1.00 55.20 O ATOM 907 OD2 ASP A 59 18.525 4.047 -3.855 1.00 13.02 O ATOM 0 H ASP A 59 15.019 3.822 -7.251 1.00 72.11 H new ATOM 0 HA ASP A 59 15.628 2.204 -4.899 1.00 72.11 H new ATOM 0 HB2 ASP A 59 17.258 3.357 -6.662 1.00 43.23 H new ATOM 0 HB3 ASP A 59 17.019 4.766 -5.648 1.00 43.23 H new ATOM 913 N PHE A 60 14.356 5.235 -4.916 1.00 23.14 N ATOM 914 CA PHE A 60 13.722 6.262 -4.107 1.00 53.23 C ATOM 915 C PHE A 60 12.197 6.145 -4.169 1.00 24.42 C ATOM 916 O PHE A 60 11.667 5.164 -4.689 1.00 24.14 O ATOM 917 CB PHE A 60 14.141 7.613 -4.691 1.00 21.13 C ATOM 918 CG PHE A 60 15.518 8.092 -4.225 1.00 34.34 C ATOM 919 CD1 PHE A 60 16.356 7.232 -3.586 1.00 43.24 C ATOM 920 CD2 PHE A 60 15.902 9.377 -4.449 1.00 23.23 C ATOM 921 CE1 PHE A 60 17.634 7.676 -3.154 1.00 12.40 C ATOM 922 CE2 PHE A 60 17.180 9.821 -4.016 1.00 53.02 C ATOM 923 CZ PHE A 60 18.019 8.962 -3.378 1.00 74.40 C ATOM 0 H PHE A 60 14.288 5.383 -5.923 1.00 23.14 H new ATOM 0 HA PHE A 60 14.026 6.156 -3.066 1.00 53.23 H new ATOM 0 HB2 PHE A 60 14.141 7.543 -5.779 1.00 21.13 H new ATOM 0 HB3 PHE A 60 13.396 8.361 -4.420 1.00 21.13 H new ATOM 0 HD1 PHE A 60 16.050 6.212 -3.407 1.00 43.24 H new ATOM 0 HD2 PHE A 60 15.236 10.060 -4.956 1.00 23.23 H new ATOM 0 HE1 PHE A 60 18.300 6.993 -2.648 1.00 12.40 H new ATOM 0 HE2 PHE A 60 17.485 10.842 -4.194 1.00 53.02 H new ATOM 0 HZ PHE A 60 18.991 9.300 -3.049 1.00 74.40 H new ATOM 933 N THR A 61 11.535 7.158 -3.631 1.00 4.42 N ATOM 934 CA THR A 61 10.083 7.181 -3.618 1.00 34.00 C ATOM 935 C THR A 61 9.572 8.622 -3.549 1.00 63.34 C ATOM 936 O THR A 61 9.865 9.343 -2.597 1.00 34.12 O ATOM 937 CB THR A 61 9.607 6.312 -2.453 1.00 35.44 C ATOM 938 OG1 THR A 61 10.562 6.556 -1.424 1.00 62.22 O ATOM 939 CG2 THR A 61 9.746 4.816 -2.743 1.00 34.21 C ATOM 0 H THR A 61 11.978 7.970 -3.200 1.00 4.42 H new ATOM 0 HA THR A 61 9.673 6.768 -4.540 1.00 34.00 H new ATOM 0 HB THR A 61 8.565 6.543 -2.230 1.00 35.44 H new ATOM 0 HG1 THR A 61 10.328 6.032 -0.630 1.00 62.22 H new ATOM 0 HG21 THR A 61 9.394 4.245 -1.884 1.00 34.21 H new ATOM 0 HG22 THR A 61 9.150 4.558 -3.619 1.00 34.21 H new ATOM 0 HG23 THR A 61 10.793 4.578 -2.933 1.00 34.21 H new ATOM 947 N ILE A 62 8.819 8.998 -4.572 1.00 35.11 N ATOM 948 CA ILE A 62 8.265 10.340 -4.640 1.00 33.52 C ATOM 949 C ILE A 62 7.206 10.505 -3.548 1.00 53.31 C ATOM 950 O ILE A 62 6.962 11.616 -3.078 1.00 22.51 O ATOM 951 CB ILE A 62 7.747 10.635 -6.049 1.00 32.21 C ATOM 952 CG1 ILE A 62 8.792 10.269 -7.105 1.00 10.31 C ATOM 953 CG2 ILE A 62 7.292 12.091 -6.172 1.00 62.51 C ATOM 954 CD1 ILE A 62 8.294 10.612 -8.511 1.00 2.25 C ATOM 0 H ILE A 62 8.579 8.397 -5.361 1.00 35.11 H new ATOM 0 HA ILE A 62 9.040 11.083 -4.449 1.00 33.52 H new ATOM 0 HB ILE A 62 6.874 10.009 -6.230 1.00 32.21 H new ATOM 0 HG12 ILE A 62 9.720 10.803 -6.904 1.00 10.31 H new ATOM 0 HG13 ILE A 62 9.018 9.204 -7.045 1.00 10.31 H new ATOM 0 HG21 ILE A 62 6.928 12.274 -7.183 1.00 62.51 H new ATOM 0 HG22 ILE A 62 6.491 12.284 -5.458 1.00 62.51 H new ATOM 0 HG23 ILE A 62 8.132 12.754 -5.963 1.00 62.51 H new ATOM 0 HD11 ILE A 62 9.055 10.342 -9.243 1.00 2.25 H new ATOM 0 HD12 ILE A 62 7.379 10.057 -8.718 1.00 2.25 H new ATOM 0 HD13 ILE A 62 8.093 11.681 -8.575 1.00 2.25 H new ATOM 966 N ASP A 63 6.605 9.385 -3.176 1.00 75.34 N ATOM 967 CA ASP A 63 5.577 9.392 -2.149 1.00 22.32 C ATOM 968 C ASP A 63 4.375 10.199 -2.641 1.00 53.35 C ATOM 969 O ASP A 63 3.948 11.148 -1.985 1.00 23.23 O ATOM 970 CB ASP A 63 6.089 10.043 -0.863 1.00 2.13 C ATOM 971 CG ASP A 63 5.073 10.106 0.279 1.00 11.22 C ATOM 972 OD1 ASP A 63 4.963 11.123 0.981 1.00 70.50 O ATOM 973 OD2 ASP A 63 4.365 9.040 0.439 1.00 61.55 O ATOM 0 H ASP A 63 6.810 8.466 -3.568 1.00 75.34 H new ATOM 0 HA ASP A 63 5.298 8.358 -1.944 1.00 22.32 H new ATOM 0 HB2 ASP A 63 6.965 9.493 -0.520 1.00 2.13 H new ATOM 0 HB3 ASP A 63 6.418 11.056 -1.093 1.00 2.13 H new ATOM 979 N HIS A 64 3.862 9.793 -3.794 1.00 11.53 N ATOM 980 CA HIS A 64 2.717 10.467 -4.382 1.00 51.40 C ATOM 981 C HIS A 64 1.942 9.487 -5.265 1.00 0.02 C ATOM 982 O HIS A 64 2.538 8.728 -6.027 1.00 62.40 O ATOM 983 CB HIS A 64 3.155 11.725 -5.135 1.00 72.04 C ATOM 984 CG HIS A 64 2.191 12.881 -5.013 1.00 71.03 C ATOM 985 ND1 HIS A 64 0.820 12.729 -5.128 1.00 41.43 N ATOM 986 CD2 HIS A 64 2.414 14.207 -4.784 1.00 71.04 C ATOM 987 CE1 HIS A 64 0.254 13.917 -4.975 1.00 14.21 C ATOM 988 NE2 HIS A 64 1.243 14.832 -4.762 1.00 60.34 N ATOM 0 H HIS A 64 4.218 9.006 -4.336 1.00 11.53 H new ATOM 0 HA HIS A 64 2.043 10.802 -3.593 1.00 51.40 H new ATOM 0 HB2 HIS A 64 4.130 12.038 -4.762 1.00 72.04 H new ATOM 0 HB3 HIS A 64 3.280 11.480 -6.190 1.00 72.04 H new ATOM 0 HD2 HIS A 64 3.380 14.670 -4.644 1.00 71.04 H new ATOM 0 HE1 HIS A 64 -0.805 14.125 -5.012 1.00 14.21 H new ATOM 0 HE2 HIS A 64 1.106 15.831 -4.611 1.00 60.34 H new ATOM 996 N GLN A 65 0.625 9.535 -5.132 1.00 53.44 N ATOM 997 CA GLN A 65 -0.238 8.661 -5.908 1.00 71.14 C ATOM 998 C GLN A 65 -0.199 9.053 -7.387 1.00 34.21 C ATOM 999 O GLN A 65 -0.169 8.188 -8.261 1.00 42.13 O ATOM 1000 CB GLN A 65 -1.671 8.687 -5.372 1.00 24.02 C ATOM 1001 CG GLN A 65 -2.450 9.872 -5.946 1.00 61.22 C ATOM 1002 CD GLN A 65 -3.862 9.934 -5.361 1.00 55.15 C ATOM 1003 OE1 GLN A 65 -4.857 9.813 -6.058 1.00 45.45 O ATOM 1004 NE2 GLN A 65 -3.895 10.129 -4.046 1.00 75.22 N ATOM 0 H GLN A 65 0.134 10.166 -4.498 1.00 53.44 H new ATOM 0 HA GLN A 65 0.132 7.640 -5.812 1.00 71.14 H new ATOM 0 HB2 GLN A 65 -2.176 7.756 -5.630 1.00 24.02 H new ATOM 0 HB3 GLN A 65 -1.655 8.751 -4.284 1.00 24.02 H new ATOM 0 HG2 GLN A 65 -1.921 10.800 -5.728 1.00 61.22 H new ATOM 0 HG3 GLN A 65 -2.505 9.784 -7.031 1.00 61.22 H new ATOM 0 HE21 GLN A 65 -3.025 10.222 -3.522 1.00 75.22 H new ATOM 0 HE22 GLN A 65 -4.791 10.185 -3.561 1.00 75.22 H new ATOM 1013 N SER A 66 -0.202 10.357 -7.621 1.00 21.21 N ATOM 1014 CA SER A 66 -0.167 10.874 -8.978 1.00 74.34 C ATOM 1015 C SER A 66 0.972 10.216 -9.760 1.00 12.11 C ATOM 1016 O SER A 66 0.749 9.646 -10.827 1.00 23.22 O ATOM 1017 CB SER A 66 -0.006 12.395 -8.985 1.00 11.15 C ATOM 1018 OG SER A 66 -1.264 13.065 -9.010 1.00 4.11 O ATOM 0 H SER A 66 -0.228 11.071 -6.893 1.00 21.21 H new ATOM 0 HA SER A 66 -1.115 10.634 -9.459 1.00 74.34 H new ATOM 0 HB2 SER A 66 0.552 12.705 -8.101 1.00 11.15 H new ATOM 0 HB3 SER A 66 0.581 12.693 -9.854 1.00 11.15 H new ATOM 0 HG SER A 66 -1.118 14.034 -9.012 1.00 4.11 H new ATOM 1024 N CYS A 67 2.168 10.318 -9.198 1.00 75.54 N ATOM 1025 CA CYS A 67 3.342 9.740 -9.829 1.00 61.32 C ATOM 1026 C CYS A 67 3.063 8.260 -10.099 1.00 25.33 C ATOM 1027 O CYS A 67 1.941 7.792 -9.913 1.00 61.21 O ATOM 1028 CB CYS A 67 4.597 9.938 -8.977 1.00 2.30 C ATOM 1029 SG CYS A 67 4.876 11.722 -8.680 1.00 2.30 S ATOM 0 H CYS A 67 2.349 10.792 -8.313 1.00 75.54 H new ATOM 0 HA CYS A 67 3.539 10.249 -10.772 1.00 61.32 H new ATOM 0 HB2 CYS A 67 4.488 9.415 -8.027 1.00 2.30 H new ATOM 0 HB3 CYS A 67 5.461 9.505 -9.481 1.00 2.30 H new ATOM 0 HG CYS A 67 5.619 12.209 -9.629 1.00 2.30 H new ATOM 1035 N SER A 68 4.104 7.564 -10.532 1.00 62.14 N ATOM 1036 CA SER A 68 3.986 6.146 -10.829 1.00 54.54 C ATOM 1037 C SER A 68 5.193 5.392 -10.269 1.00 34.42 C ATOM 1038 O SER A 68 6.161 6.005 -9.823 1.00 12.43 O ATOM 1039 CB SER A 68 3.863 5.908 -12.336 1.00 21.24 C ATOM 1040 OG SER A 68 3.158 4.705 -12.630 1.00 13.02 O ATOM 0 H SER A 68 5.033 7.956 -10.684 1.00 62.14 H new ATOM 0 HA SER A 68 3.080 5.771 -10.354 1.00 54.54 H new ATOM 0 HB2 SER A 68 3.348 6.752 -12.796 1.00 21.24 H new ATOM 0 HB3 SER A 68 4.858 5.863 -12.778 1.00 21.24 H new ATOM 0 HG SER A 68 3.099 4.589 -13.601 1.00 13.02 H new ATOM 1046 N ARG A 69 5.095 4.071 -10.310 1.00 24.12 N ATOM 1047 CA ARG A 69 6.167 3.226 -9.812 1.00 22.35 C ATOM 1048 C ARG A 69 7.525 3.776 -10.252 1.00 23.31 C ATOM 1049 O ARG A 69 8.430 3.934 -9.433 1.00 53.34 O ATOM 1050 CB ARG A 69 6.017 1.790 -10.319 1.00 4.04 C ATOM 1051 CG ARG A 69 4.885 1.066 -9.588 1.00 31.22 C ATOM 1052 CD ARG A 69 3.572 1.175 -10.366 1.00 62.33 C ATOM 1053 NE ARG A 69 2.732 -0.016 -10.110 1.00 73.22 N ATOM 1054 CZ ARG A 69 1.422 -0.100 -10.426 1.00 71.43 C ATOM 1055 NH1 ARG A 69 0.791 0.938 -11.014 1.00 51.22 N ATOM 1056 NH2 ARG A 69 0.767 -1.213 -10.152 1.00 25.42 N ATOM 0 H ARG A 69 4.290 3.566 -10.680 1.00 24.12 H new ATOM 0 HA ARG A 69 6.108 3.223 -8.724 1.00 22.35 H new ATOM 0 HB2 ARG A 69 5.816 1.798 -11.390 1.00 4.04 H new ATOM 0 HB3 ARG A 69 6.952 1.250 -10.174 1.00 4.04 H new ATOM 0 HG2 ARG A 69 5.147 0.016 -9.454 1.00 31.22 H new ATOM 0 HG3 ARG A 69 4.759 1.492 -8.593 1.00 31.22 H new ATOM 0 HD2 ARG A 69 3.038 2.078 -10.069 1.00 62.33 H new ATOM 0 HD3 ARG A 69 3.778 1.263 -11.433 1.00 62.33 H new ATOM 0 HE ARG A 69 3.170 -0.824 -9.667 1.00 73.22 H new ATOM 0 HH11 ARG A 69 1.304 1.794 -11.223 1.00 51.22 H new ATOM 0 HH12 ARG A 69 -0.199 0.866 -11.249 1.00 51.22 H new ATOM 0 HH21 ARG A 69 1.251 -1.993 -9.708 1.00 25.42 H new ATOM 0 HH22 ARG A 69 -0.223 -1.293 -10.384 1.00 25.42 H new ATOM 1069 N VAL A 70 7.625 4.052 -11.544 1.00 25.32 N ATOM 1070 CA VAL A 70 8.858 4.581 -12.103 1.00 20.33 C ATOM 1071 C VAL A 70 8.563 5.899 -12.821 1.00 73.10 C ATOM 1072 O VAL A 70 8.720 5.996 -14.037 1.00 53.01 O ATOM 1073 CB VAL A 70 9.510 3.537 -13.012 1.00 43.42 C ATOM 1074 CG1 VAL A 70 11.020 3.764 -13.112 1.00 1.13 C ATOM 1075 CG2 VAL A 70 9.199 2.119 -12.530 1.00 63.13 C ATOM 0 H VAL A 70 6.873 3.919 -12.220 1.00 25.32 H new ATOM 0 HA VAL A 70 9.575 4.796 -11.311 1.00 20.33 H new ATOM 0 HB VAL A 70 9.087 3.651 -14.010 1.00 43.42 H new ATOM 0 HG11 VAL A 70 11.459 3.009 -13.764 1.00 1.13 H new ATOM 0 HG12 VAL A 70 11.213 4.755 -13.524 1.00 1.13 H new ATOM 0 HG13 VAL A 70 11.465 3.690 -12.120 1.00 1.13 H new ATOM 0 HG21 VAL A 70 9.674 1.397 -13.194 1.00 63.13 H new ATOM 0 HG22 VAL A 70 9.580 1.987 -11.517 1.00 63.13 H new ATOM 0 HG23 VAL A 70 8.120 1.961 -12.535 1.00 63.13 H new ATOM 1085 N HIS A 71 8.140 6.881 -12.038 1.00 63.31 N ATOM 1086 CA HIS A 71 7.822 8.189 -12.584 1.00 73.02 C ATOM 1087 C HIS A 71 8.936 8.634 -13.533 1.00 2.40 C ATOM 1088 O HIS A 71 8.668 9.065 -14.653 1.00 54.33 O ATOM 1089 CB HIS A 71 7.559 9.196 -11.463 1.00 45.50 C ATOM 1090 CG HIS A 71 7.220 10.584 -11.952 1.00 12.44 C ATOM 1091 ND1 HIS A 71 6.046 11.233 -11.610 1.00 51.00 N ATOM 1092 CD2 HIS A 71 7.912 11.440 -12.758 1.00 31.23 C ATOM 1093 CE1 HIS A 71 6.042 12.424 -12.191 1.00 31.13 C ATOM 1094 NE2 HIS A 71 7.199 12.550 -12.902 1.00 31.11 N ATOM 0 H HIS A 71 8.010 6.797 -11.030 1.00 63.31 H new ATOM 0 HA HIS A 71 6.901 8.131 -13.164 1.00 73.02 H new ATOM 0 HB2 HIS A 71 6.740 8.830 -10.844 1.00 45.50 H new ATOM 0 HB3 HIS A 71 8.441 9.252 -10.824 1.00 45.50 H new ATOM 0 HD2 HIS A 71 8.877 11.247 -13.203 1.00 31.23 H new ATOM 0 HE1 HIS A 71 5.260 13.165 -12.115 1.00 31.13 H new ATOM 0 HE2 HIS A 71 7.471 13.364 -13.454 1.00 31.11 H new ATOM 1103 N ALA A 72 10.164 8.515 -13.049 1.00 51.23 N ATOM 1104 CA ALA A 72 11.321 8.900 -13.840 1.00 54.12 C ATOM 1105 C ALA A 72 12.566 8.207 -13.285 1.00 62.40 C ATOM 1106 O ALA A 72 12.467 7.365 -12.394 1.00 21.51 O ATOM 1107 CB ALA A 72 11.454 10.424 -13.842 1.00 13.32 C ATOM 0 H ALA A 72 10.383 8.157 -12.119 1.00 51.23 H new ATOM 0 HA ALA A 72 11.201 8.582 -14.876 1.00 54.12 H new ATOM 0 HB1 ALA A 72 12.322 10.713 -14.435 1.00 13.32 H new ATOM 0 HB2 ALA A 72 10.556 10.867 -14.273 1.00 13.32 H new ATOM 0 HB3 ALA A 72 11.579 10.780 -12.819 1.00 13.32 H new ATOM 1113 N ALA A 73 13.710 8.586 -13.835 1.00 3.32 N ATOM 1114 CA ALA A 73 14.974 8.011 -13.406 1.00 10.43 C ATOM 1115 C ALA A 73 16.085 9.050 -13.574 1.00 31.04 C ATOM 1116 O ALA A 73 16.076 9.825 -14.528 1.00 55.43 O ATOM 1117 CB ALA A 73 15.248 6.731 -14.198 1.00 11.42 C ATOM 0 H ALA A 73 13.788 9.284 -14.574 1.00 3.32 H new ATOM 0 HA ALA A 73 14.934 7.739 -12.351 1.00 10.43 H new ATOM 0 HB1 ALA A 73 16.196 6.300 -13.876 1.00 11.42 H new ATOM 0 HB2 ALA A 73 14.445 6.015 -14.021 1.00 11.42 H new ATOM 0 HB3 ALA A 73 15.298 6.965 -15.261 1.00 11.42 H new ATOM 1123 N LEU A 74 17.016 9.032 -12.631 1.00 33.51 N ATOM 1124 CA LEU A 74 18.131 9.962 -12.662 1.00 43.04 C ATOM 1125 C LEU A 74 19.356 9.263 -13.257 1.00 11.43 C ATOM 1126 O LEU A 74 19.500 8.047 -13.138 1.00 54.53 O ATOM 1127 CB LEU A 74 18.375 10.554 -11.273 1.00 31.34 C ATOM 1128 CG LEU A 74 19.634 11.410 -11.119 1.00 72.33 C ATOM 1129 CD1 LEU A 74 19.516 12.347 -9.916 1.00 50.43 C ATOM 1130 CD2 LEU A 74 20.886 10.534 -11.043 1.00 42.21 C ATOM 0 H LEU A 74 17.020 8.387 -11.841 1.00 33.51 H new ATOM 0 HA LEU A 74 17.902 10.810 -13.308 1.00 43.04 H new ATOM 0 HB2 LEU A 74 17.512 11.162 -11.002 1.00 31.34 H new ATOM 0 HB3 LEU A 74 18.426 9.735 -10.555 1.00 31.34 H new ATOM 0 HG LEU A 74 19.732 12.036 -12.006 1.00 72.33 H new ATOM 0 HD11 LEU A 74 20.424 12.944 -9.829 1.00 50.43 H new ATOM 0 HD12 LEU A 74 18.659 13.007 -10.052 1.00 50.43 H new ATOM 0 HD13 LEU A 74 19.381 11.759 -9.008 1.00 50.43 H new ATOM 0 HD21 LEU A 74 21.767 11.167 -10.934 1.00 42.21 H new ATOM 0 HD22 LEU A 74 20.811 9.866 -10.185 1.00 42.21 H new ATOM 0 HD23 LEU A 74 20.974 9.945 -11.956 1.00 42.21 H new ATOM 1142 N VAL A 75 20.207 10.062 -13.883 1.00 3.20 N ATOM 1143 CA VAL A 75 21.415 9.536 -14.496 1.00 71.20 C ATOM 1144 C VAL A 75 22.534 10.572 -14.379 1.00 44.24 C ATOM 1145 O VAL A 75 22.344 11.738 -14.723 1.00 20.05 O ATOM 1146 CB VAL A 75 21.131 9.123 -15.942 1.00 33.24 C ATOM 1147 CG1 VAL A 75 22.399 8.606 -16.623 1.00 60.25 C ATOM 1148 CG2 VAL A 75 20.011 8.082 -16.004 1.00 61.14 C ATOM 0 H VAL A 75 20.084 11.070 -13.979 1.00 3.20 H new ATOM 0 HA VAL A 75 21.748 8.638 -13.975 1.00 71.20 H new ATOM 0 HB VAL A 75 20.797 10.007 -16.484 1.00 33.24 H new ATOM 0 HG11 VAL A 75 22.170 8.319 -17.649 1.00 60.25 H new ATOM 0 HG12 VAL A 75 23.156 9.390 -16.626 1.00 60.25 H new ATOM 0 HG13 VAL A 75 22.776 7.740 -16.080 1.00 60.25 H new ATOM 0 HG21 VAL A 75 19.829 7.805 -17.042 1.00 61.14 H new ATOM 0 HG22 VAL A 75 20.305 7.197 -15.439 1.00 61.14 H new ATOM 0 HG23 VAL A 75 19.101 8.501 -15.575 1.00 61.14 H new ATOM 1158 N TYR A 76 23.677 10.110 -13.894 1.00 62.21 N ATOM 1159 CA TYR A 76 24.827 10.982 -13.728 1.00 43.20 C ATOM 1160 C TYR A 76 25.752 10.908 -14.945 1.00 22.24 C ATOM 1161 O TYR A 76 26.400 9.888 -15.175 1.00 21.22 O ATOM 1162 CB TYR A 76 25.577 10.462 -12.500 1.00 11.42 C ATOM 1163 CG TYR A 76 26.737 11.355 -12.055 1.00 14.44 C ATOM 1164 CD1 TYR A 76 26.512 12.386 -11.165 1.00 54.31 C ATOM 1165 CD2 TYR A 76 28.008 11.130 -12.542 1.00 51.15 C ATOM 1166 CE1 TYR A 76 27.603 13.227 -10.746 1.00 61.10 C ATOM 1167 CE2 TYR A 76 29.099 11.971 -12.123 1.00 64.34 C ATOM 1168 CZ TYR A 76 28.843 12.978 -11.246 1.00 22.41 C ATOM 1169 OH TYR A 76 29.874 13.772 -10.850 1.00 60.51 O ATOM 0 H TYR A 76 23.831 9.142 -13.611 1.00 62.21 H new ATOM 0 HA TYR A 76 24.509 12.019 -13.616 1.00 43.20 H new ATOM 0 HB2 TYR A 76 24.873 10.359 -11.674 1.00 11.42 H new ATOM 0 HB3 TYR A 76 25.962 9.465 -12.717 1.00 11.42 H new ATOM 0 HD1 TYR A 76 25.517 12.562 -10.783 1.00 54.31 H new ATOM 0 HD2 TYR A 76 28.185 10.323 -13.238 1.00 51.15 H new ATOM 0 HE1 TYR A 76 27.440 14.037 -10.051 1.00 61.10 H new ATOM 0 HE2 TYR A 76 30.099 11.806 -12.497 1.00 64.34 H new ATOM 0 HH TYR A 76 29.537 14.669 -10.647 1.00 60.51 H new ATOM 1179 N HIS A 77 25.784 12.002 -15.691 1.00 63.33 N ATOM 1180 CA HIS A 77 26.619 12.073 -16.878 1.00 41.35 C ATOM 1181 C HIS A 77 28.085 11.874 -16.488 1.00 31.12 C ATOM 1182 O HIS A 77 28.483 12.198 -15.370 1.00 32.52 O ATOM 1183 CB HIS A 77 26.379 13.382 -17.633 1.00 43.40 C ATOM 1184 CG HIS A 77 26.363 13.231 -19.135 1.00 40.25 C ATOM 1185 ND1 HIS A 77 25.329 13.272 -20.024 1.00 71.20 N flip ATOM 1186 CD2 HIS A 77 27.509 13.009 -19.879 1.00 61.41 C flip ATOM 1187 CE1 HIS A 77 25.817 13.086 -21.244 1.00 43.04 C flip ATOM 1188 NE2 HIS A 77 27.168 12.922 -21.156 1.00 60.44 N flip ATOM 0 H HIS A 77 25.245 12.846 -15.497 1.00 63.33 H new ATOM 0 HA HIS A 77 26.350 11.270 -17.564 1.00 41.35 H new ATOM 0 HB2 HIS A 77 25.428 13.806 -17.311 1.00 43.40 H new ATOM 0 HB3 HIS A 77 27.156 14.096 -17.358 1.00 43.40 H new ATOM 0 HD1 HIS A 77 24.347 13.420 -19.791 1.00 71.20 H new ATOM 0 HD2 HIS A 77 28.511 12.922 -19.485 1.00 61.41 H new ATOM 0 HE1 HIS A 77 25.239 13.068 -22.156 1.00 43.04 H new ATOM 1196 N LYS A 78 28.848 11.342 -17.431 1.00 42.12 N ATOM 1197 CA LYS A 78 30.261 11.096 -17.200 1.00 24.31 C ATOM 1198 C LYS A 78 31.089 12.055 -18.058 1.00 60.51 C ATOM 1199 O LYS A 78 32.075 12.620 -17.588 1.00 51.42 O ATOM 1200 CB LYS A 78 30.593 9.620 -17.432 1.00 40.21 C ATOM 1201 CG LYS A 78 30.674 9.305 -18.927 1.00 53.22 C ATOM 1202 CD LYS A 78 30.575 7.799 -19.176 1.00 71.22 C ATOM 1203 CE LYS A 78 31.898 7.102 -18.852 1.00 72.34 C ATOM 1204 NZ LYS A 78 31.881 5.705 -19.342 1.00 42.24 N ATOM 0 H LYS A 78 28.514 11.074 -18.357 1.00 42.12 H new ATOM 0 HA LYS A 78 30.517 11.297 -16.160 1.00 24.31 H new ATOM 0 HB2 LYS A 78 31.542 9.377 -16.954 1.00 40.21 H new ATOM 0 HB3 LYS A 78 29.832 8.995 -16.966 1.00 40.21 H new ATOM 0 HG2 LYS A 78 29.870 9.818 -19.454 1.00 53.22 H new ATOM 0 HG3 LYS A 78 31.613 9.683 -19.332 1.00 53.22 H new ATOM 0 HD2 LYS A 78 29.778 7.377 -18.564 1.00 71.22 H new ATOM 0 HD3 LYS A 78 30.308 7.616 -20.217 1.00 71.22 H new ATOM 0 HE2 LYS A 78 32.724 7.645 -19.311 1.00 72.34 H new ATOM 0 HE3 LYS A 78 32.068 7.114 -17.775 1.00 72.34 H new ATOM 0 HZ1 LYS A 78 32.786 5.246 -19.114 1.00 42.24 H new ATOM 0 HZ2 LYS A 78 31.105 5.186 -18.884 1.00 42.24 H new ATOM 0 HZ3 LYS A 78 31.740 5.700 -20.372 1.00 42.24 H new ATOM 1217 N HIS A 79 30.657 12.208 -19.301 1.00 65.44 N ATOM 1218 CA HIS A 79 31.346 13.088 -20.230 1.00 2.24 C ATOM 1219 C HIS A 79 31.070 14.546 -19.855 1.00 70.32 C ATOM 1220 O HIS A 79 31.726 15.455 -20.361 1.00 13.43 O ATOM 1221 CB HIS A 79 30.960 12.764 -21.674 1.00 64.31 C ATOM 1222 CG HIS A 79 30.832 11.286 -21.958 1.00 51.13 C ATOM 1223 ND1 HIS A 79 31.906 10.499 -22.337 1.00 13.34 N ATOM 1224 CD2 HIS A 79 29.746 10.461 -21.914 1.00 45.34 C ATOM 1225 CE1 HIS A 79 31.474 9.259 -22.511 1.00 23.21 C ATOM 1226 NE2 HIS A 79 30.136 9.237 -22.249 1.00 52.43 N ATOM 0 H HIS A 79 29.838 11.737 -19.687 1.00 65.44 H new ATOM 0 HA HIS A 79 32.422 12.928 -20.159 1.00 2.24 H new ATOM 0 HB2 HIS A 79 30.013 13.251 -21.904 1.00 64.31 H new ATOM 0 HB3 HIS A 79 31.708 13.189 -22.343 1.00 64.31 H new ATOM 0 HD1 HIS A 79 32.866 10.819 -22.461 1.00 13.34 H new ATOM 0 HD2 HIS A 79 28.740 10.754 -21.651 1.00 45.34 H new ATOM 0 HE1 HIS A 79 32.076 8.413 -22.808 1.00 23.21 H new ATOM 1234 N LEU A 80 30.098 14.722 -18.972 1.00 41.22 N ATOM 1235 CA LEU A 80 29.727 16.054 -18.524 1.00 72.30 C ATOM 1236 C LEU A 80 30.008 16.180 -17.025 1.00 61.54 C ATOM 1237 O LEU A 80 30.252 17.277 -16.526 1.00 35.11 O ATOM 1238 CB LEU A 80 28.278 16.363 -18.906 1.00 32.11 C ATOM 1239 CG LEU A 80 27.923 16.192 -20.384 1.00 52.13 C ATOM 1240 CD1 LEU A 80 26.443 16.491 -20.631 1.00 34.53 C ATOM 1241 CD2 LEU A 80 28.834 17.045 -21.269 1.00 64.21 C ATOM 0 H LEU A 80 29.556 13.965 -18.555 1.00 41.22 H new ATOM 0 HA LEU A 80 30.333 16.808 -19.027 1.00 72.30 H new ATOM 0 HB2 LEU A 80 27.623 15.719 -18.319 1.00 32.11 H new ATOM 0 HB3 LEU A 80 28.058 17.391 -18.617 1.00 32.11 H new ATOM 0 HG LEU A 80 28.091 15.150 -20.657 1.00 52.13 H new ATOM 0 HD11 LEU A 80 26.217 16.362 -21.690 1.00 34.53 H new ATOM 0 HD12 LEU A 80 25.831 15.807 -20.043 1.00 34.53 H new ATOM 0 HD13 LEU A 80 26.225 17.517 -20.336 1.00 34.53 H new ATOM 0 HD21 LEU A 80 28.560 16.905 -22.315 1.00 64.21 H new ATOM 0 HD22 LEU A 80 28.721 18.096 -21.002 1.00 64.21 H new ATOM 0 HD23 LEU A 80 29.871 16.743 -21.122 1.00 64.21 H new ATOM 1253 N LYS A 81 29.965 15.040 -16.350 1.00 43.51 N ATOM 1254 CA LYS A 81 30.213 15.009 -14.919 1.00 14.45 C ATOM 1255 C LYS A 81 29.068 15.719 -14.192 1.00 61.12 C ATOM 1256 O LYS A 81 29.292 16.410 -13.199 1.00 72.53 O ATOM 1257 CB LYS A 81 31.594 15.586 -14.601 1.00 32.02 C ATOM 1258 CG LYS A 81 32.703 14.689 -15.155 1.00 51.50 C ATOM 1259 CD LYS A 81 33.081 15.102 -16.579 1.00 1.00 C ATOM 1260 CE LYS A 81 33.826 16.438 -16.583 1.00 4.21 C ATOM 1261 NZ LYS A 81 35.287 16.217 -16.488 1.00 12.41 N ATOM 0 H LYS A 81 29.762 14.132 -16.768 1.00 43.51 H new ATOM 0 HA LYS A 81 30.232 13.981 -14.558 1.00 14.45 H new ATOM 0 HB2 LYS A 81 31.682 16.585 -15.028 1.00 32.02 H new ATOM 0 HB3 LYS A 81 31.710 15.689 -13.522 1.00 32.02 H new ATOM 0 HG2 LYS A 81 33.580 14.748 -14.510 1.00 51.50 H new ATOM 0 HG3 LYS A 81 32.373 13.650 -15.149 1.00 51.50 H new ATOM 0 HD2 LYS A 81 33.706 14.332 -17.031 1.00 1.00 H new ATOM 0 HD3 LYS A 81 32.181 15.181 -17.189 1.00 1.00 H new ATOM 0 HE2 LYS A 81 33.594 16.988 -17.495 1.00 4.21 H new ATOM 0 HE3 LYS A 81 33.490 17.051 -15.747 1.00 4.21 H new ATOM 0 HZ1 LYS A 81 35.778 17.134 -16.492 1.00 12.41 H new ATOM 0 HZ2 LYS A 81 35.505 15.711 -15.606 1.00 12.41 H new ATOM 0 HZ3 LYS A 81 35.606 15.650 -17.300 1.00 12.41 H new ATOM 1274 N ARG A 82 27.867 15.524 -14.716 1.00 34.15 N ATOM 1275 CA ARG A 82 26.687 16.136 -14.129 1.00 54.53 C ATOM 1276 C ARG A 82 25.591 15.088 -13.923 1.00 4.22 C ATOM 1277 O ARG A 82 25.839 13.891 -14.060 1.00 41.22 O ATOM 1278 CB ARG A 82 26.148 17.258 -15.020 1.00 22.01 C ATOM 1279 CG ARG A 82 27.145 17.605 -16.127 1.00 42.23 C ATOM 1280 CD ARG A 82 26.504 18.515 -17.177 1.00 73.32 C ATOM 1281 NE ARG A 82 27.467 19.555 -17.602 1.00 12.23 N ATOM 1282 CZ ARG A 82 27.239 20.436 -18.599 1.00 54.10 C ATOM 1283 NH1 ARG A 82 26.076 20.409 -19.284 1.00 54.31 N ATOM 1284 NH2 ARG A 82 28.170 21.324 -18.894 1.00 72.24 N ATOM 0 H ARG A 82 27.686 14.951 -15.540 1.00 34.15 H new ATOM 0 HA ARG A 82 26.977 16.558 -13.167 1.00 54.53 H new ATOM 0 HB2 ARG A 82 25.200 16.952 -15.462 1.00 22.01 H new ATOM 0 HB3 ARG A 82 25.947 18.143 -14.416 1.00 22.01 H new ATOM 0 HG2 ARG A 82 28.016 18.099 -15.695 1.00 42.23 H new ATOM 0 HG3 ARG A 82 27.500 16.690 -16.601 1.00 42.23 H new ATOM 0 HD2 ARG A 82 26.190 17.925 -18.038 1.00 73.32 H new ATOM 0 HD3 ARG A 82 25.609 18.983 -16.767 1.00 73.32 H new ATOM 0 HE ARG A 82 28.359 19.610 -17.111 1.00 12.23 H new ATOM 0 HH11 ARG A 82 25.362 19.719 -19.050 1.00 54.31 H new ATOM 0 HH12 ARG A 82 25.911 21.078 -20.036 1.00 54.31 H new ATOM 0 HH21 ARG A 82 29.046 21.337 -18.371 1.00 72.24 H new ATOM 0 HH22 ARG A 82 28.014 21.997 -19.645 1.00 72.24 H new ATOM 1297 N VAL A 83 24.404 15.576 -13.596 1.00 53.12 N ATOM 1298 CA VAL A 83 23.270 14.696 -13.369 1.00 52.34 C ATOM 1299 C VAL A 83 22.209 14.951 -14.443 1.00 4.14 C ATOM 1300 O VAL A 83 22.240 15.978 -15.119 1.00 62.12 O ATOM 1301 CB VAL A 83 22.738 14.884 -11.947 1.00 60.11 C ATOM 1302 CG1 VAL A 83 21.494 14.025 -11.709 1.00 42.51 C ATOM 1303 CG2 VAL A 83 23.822 14.578 -10.912 1.00 20.33 C ATOM 0 H VAL A 83 24.202 16.569 -13.483 1.00 53.12 H new ATOM 0 HA VAL A 83 23.574 13.652 -13.453 1.00 52.34 H new ATOM 0 HB VAL A 83 22.450 15.929 -11.832 1.00 60.11 H new ATOM 0 HG11 VAL A 83 21.136 14.177 -10.691 1.00 42.51 H new ATOM 0 HG12 VAL A 83 20.714 14.311 -12.414 1.00 42.51 H new ATOM 0 HG13 VAL A 83 21.745 12.974 -11.852 1.00 42.51 H new ATOM 0 HG21 VAL A 83 23.418 14.719 -9.909 1.00 20.33 H new ATOM 0 HG22 VAL A 83 24.154 13.546 -11.027 1.00 20.33 H new ATOM 0 HG23 VAL A 83 24.667 15.250 -11.061 1.00 20.33 H new ATOM 1313 N PHE A 84 21.296 13.999 -14.565 1.00 23.13 N ATOM 1314 CA PHE A 84 20.228 14.107 -15.544 1.00 43.41 C ATOM 1315 C PHE A 84 18.944 13.455 -15.029 1.00 71.53 C ATOM 1316 O PHE A 84 18.994 12.548 -14.200 1.00 34.42 O ATOM 1317 CB PHE A 84 20.695 13.367 -16.799 1.00 23.12 C ATOM 1318 CG PHE A 84 21.507 14.231 -17.766 1.00 13.52 C ATOM 1319 CD1 PHE A 84 22.837 14.421 -17.556 1.00 12.42 C ATOM 1320 CD2 PHE A 84 20.898 14.810 -18.836 1.00 34.15 C ATOM 1321 CE1 PHE A 84 23.590 15.224 -18.453 1.00 71.34 C ATOM 1322 CE2 PHE A 84 21.651 15.612 -19.733 1.00 13.30 C ATOM 1323 CZ PHE A 84 22.981 15.802 -19.523 1.00 51.21 C ATOM 0 H PHE A 84 21.274 13.149 -14.002 1.00 23.13 H new ATOM 0 HA PHE A 84 20.014 15.156 -15.747 1.00 43.41 H new ATOM 0 HB2 PHE A 84 21.298 12.510 -16.499 1.00 23.12 H new ATOM 0 HB3 PHE A 84 19.823 12.975 -17.323 1.00 23.12 H new ATOM 0 HD1 PHE A 84 23.321 13.961 -16.707 1.00 12.42 H new ATOM 0 HD2 PHE A 84 19.842 14.659 -19.003 1.00 34.15 H new ATOM 0 HE1 PHE A 84 24.646 15.376 -18.286 1.00 71.34 H new ATOM 0 HE2 PHE A 84 21.168 16.071 -20.582 1.00 13.30 H new ATOM 0 HZ PHE A 84 23.554 16.412 -20.206 1.00 51.21 H new ATOM 1333 N LEU A 85 17.824 13.941 -15.543 1.00 13.33 N ATOM 1334 CA LEU A 85 16.528 13.417 -15.145 1.00 63.53 C ATOM 1335 C LEU A 85 15.756 12.979 -16.391 1.00 40.05 C ATOM 1336 O LEU A 85 15.305 13.816 -17.172 1.00 60.32 O ATOM 1337 CB LEU A 85 15.779 14.435 -14.283 1.00 62.24 C ATOM 1338 CG LEU A 85 14.334 14.079 -13.929 1.00 11.32 C ATOM 1339 CD1 LEU A 85 14.103 12.569 -14.017 1.00 42.55 C ATOM 1340 CD2 LEU A 85 13.953 14.638 -12.556 1.00 72.33 C ATOM 0 H LEU A 85 17.787 14.692 -16.232 1.00 13.33 H new ATOM 0 HA LEU A 85 16.651 12.534 -14.518 1.00 63.53 H new ATOM 0 HB2 LEU A 85 16.335 14.576 -13.356 1.00 62.24 H new ATOM 0 HB3 LEU A 85 15.779 15.393 -14.804 1.00 62.24 H new ATOM 0 HG LEU A 85 13.677 14.548 -14.662 1.00 11.32 H new ATOM 0 HD11 LEU A 85 13.068 12.344 -13.760 1.00 42.55 H new ATOM 0 HD12 LEU A 85 14.308 12.228 -15.032 1.00 42.55 H new ATOM 0 HD13 LEU A 85 14.769 12.058 -13.321 1.00 42.55 H new ATOM 0 HD21 LEU A 85 12.921 14.371 -12.328 1.00 72.33 H new ATOM 0 HD22 LEU A 85 14.613 14.218 -11.796 1.00 72.33 H new ATOM 0 HD23 LEU A 85 14.054 15.723 -12.564 1.00 72.33 H new ATOM 1352 N ILE A 86 15.627 11.669 -16.539 1.00 63.31 N ATOM 1353 CA ILE A 86 14.917 11.110 -17.677 1.00 63.11 C ATOM 1354 C ILE A 86 13.454 10.879 -17.296 1.00 55.12 C ATOM 1355 O ILE A 86 13.147 9.984 -16.510 1.00 74.15 O ATOM 1356 CB ILE A 86 15.626 9.853 -18.186 1.00 51.12 C ATOM 1357 CG1 ILE A 86 17.119 9.892 -17.853 1.00 53.31 C ATOM 1358 CG2 ILE A 86 15.377 9.652 -19.682 1.00 65.34 C ATOM 1359 CD1 ILE A 86 17.922 9.033 -18.832 1.00 14.21 C ATOM 0 H ILE A 86 16.002 10.978 -15.889 1.00 63.31 H new ATOM 0 HA ILE A 86 14.923 11.811 -18.512 1.00 63.11 H new ATOM 0 HB ILE A 86 15.204 8.990 -17.670 1.00 51.12 H new ATOM 0 HG12 ILE A 86 17.476 10.921 -17.889 1.00 53.31 H new ATOM 0 HG13 ILE A 86 17.278 9.535 -16.836 1.00 53.31 H new ATOM 0 HG21 ILE A 86 15.892 8.752 -20.019 1.00 65.34 H new ATOM 0 HG22 ILE A 86 14.307 9.547 -19.862 1.00 65.34 H new ATOM 0 HG23 ILE A 86 15.755 10.514 -20.233 1.00 65.34 H new ATOM 0 HD11 ILE A 86 18.980 9.078 -18.573 1.00 14.21 H new ATOM 0 HD12 ILE A 86 17.579 8.000 -18.776 1.00 14.21 H new ATOM 0 HD13 ILE A 86 17.780 9.408 -19.846 1.00 14.21 H new ATOM 1371 N ASP A 87 12.589 11.702 -17.871 1.00 11.21 N ATOM 1372 CA ASP A 87 11.165 11.599 -17.602 1.00 32.04 C ATOM 1373 C ASP A 87 10.616 10.332 -18.260 1.00 61.32 C ATOM 1374 O ASP A 87 10.179 10.365 -19.409 1.00 74.43 O ATOM 1375 CB ASP A 87 10.407 12.797 -18.177 1.00 62.03 C ATOM 1376 CG ASP A 87 8.893 12.771 -17.958 1.00 22.15 C ATOM 1377 OD1 ASP A 87 8.359 13.498 -17.107 1.00 32.54 O ATOM 1378 OD2 ASP A 87 8.247 11.950 -18.714 1.00 55.43 O ATOM 0 H ASP A 87 12.847 12.443 -18.522 1.00 11.21 H new ATOM 0 HA ASP A 87 11.028 11.571 -16.521 1.00 32.04 H new ATOM 0 HB2 ASP A 87 10.807 13.708 -17.733 1.00 62.03 H new ATOM 0 HB3 ASP A 87 10.603 12.852 -19.248 1.00 62.03 H new ATOM 1384 N LEU A 88 10.657 9.245 -17.504 1.00 23.33 N ATOM 1385 CA LEU A 88 10.170 7.969 -18.000 1.00 33.14 C ATOM 1386 C LEU A 88 8.658 8.057 -18.222 1.00 25.01 C ATOM 1387 O LEU A 88 7.877 7.627 -17.375 1.00 72.43 O ATOM 1388 CB LEU A 88 10.588 6.834 -17.062 1.00 43.43 C ATOM 1389 CG LEU A 88 12.086 6.724 -16.769 1.00 40.55 C ATOM 1390 CD1 LEU A 88 12.419 5.384 -16.112 1.00 21.11 C ATOM 1391 CD2 LEU A 88 12.911 6.962 -18.036 1.00 2.53 C ATOM 0 H LEU A 88 11.020 9.221 -16.551 1.00 23.33 H new ATOM 0 HA LEU A 88 10.622 7.738 -18.964 1.00 33.14 H new ATOM 0 HB2 LEU A 88 10.061 6.958 -16.116 1.00 43.43 H new ATOM 0 HB3 LEU A 88 10.252 5.891 -17.493 1.00 43.43 H new ATOM 0 HG LEU A 88 12.354 7.506 -16.058 1.00 40.55 H new ATOM 0 HD11 LEU A 88 13.490 5.332 -15.914 1.00 21.11 H new ATOM 0 HD12 LEU A 88 11.872 5.293 -15.174 1.00 21.11 H new ATOM 0 HD13 LEU A 88 12.133 4.571 -16.779 1.00 21.11 H new ATOM 0 HD21 LEU A 88 13.972 6.878 -17.800 1.00 2.53 H new ATOM 0 HD22 LEU A 88 12.646 6.218 -18.788 1.00 2.53 H new ATOM 0 HD23 LEU A 88 12.703 7.959 -18.424 1.00 2.53 H new ATOM 1403 N ASN A 89 8.292 8.618 -19.365 1.00 64.52 N ATOM 1404 CA ASN A 89 6.889 8.768 -19.710 1.00 32.44 C ATOM 1405 C ASN A 89 6.074 8.979 -18.432 1.00 5.33 C ATOM 1406 O ASN A 89 5.098 8.271 -18.189 1.00 4.21 O ATOM 1407 CB ASN A 89 6.356 7.515 -20.408 1.00 30.34 C ATOM 1408 CG ASN A 89 7.360 6.991 -21.437 1.00 1.45 C ATOM 1409 OD1 ASN A 89 8.441 6.431 -20.901 1.00 45.01 O flip ATOM 1410 ND2 ASN A 89 7.166 7.090 -22.637 1.00 73.41 N flip ATOM 0 H ASN A 89 8.943 8.974 -20.064 1.00 64.52 H new ATOM 0 HA ASN A 89 6.796 9.622 -20.381 1.00 32.44 H new ATOM 0 HB2 ASN A 89 6.151 6.741 -19.668 1.00 30.34 H new ATOM 0 HB3 ASN A 89 5.411 7.743 -20.900 1.00 30.34 H new ATOM 0 HD21 ASN A 89 6.313 7.532 -22.981 1.00 73.41 H new ATOM 0 HD22 ASN A 89 7.856 6.731 -23.297 1.00 73.41 H new ATOM 1417 N SER A 90 6.506 9.957 -17.648 1.00 71.24 N ATOM 1418 CA SER A 90 5.829 10.271 -16.401 1.00 60.35 C ATOM 1419 C SER A 90 4.347 10.546 -16.665 1.00 63.13 C ATOM 1420 O SER A 90 3.996 11.163 -17.670 1.00 0.25 O ATOM 1421 CB SER A 90 6.477 11.472 -15.710 1.00 61.12 C ATOM 1422 OG SER A 90 5.612 12.062 -14.744 1.00 2.33 O ATOM 0 H SER A 90 7.316 10.542 -17.852 1.00 71.24 H new ATOM 0 HA SER A 90 5.920 9.412 -15.737 1.00 60.35 H new ATOM 0 HB2 SER A 90 7.401 11.156 -15.225 1.00 61.12 H new ATOM 0 HB3 SER A 90 6.748 12.218 -16.457 1.00 61.12 H new ATOM 0 HG SER A 90 6.068 12.816 -14.314 1.00 2.33 H new ATOM 1428 N THR A 91 3.518 10.074 -15.746 1.00 11.41 N ATOM 1429 CA THR A 91 2.082 10.262 -15.866 1.00 61.04 C ATOM 1430 C THR A 91 1.771 11.655 -16.417 1.00 74.12 C ATOM 1431 O THR A 91 0.890 11.810 -17.262 1.00 63.33 O ATOM 1432 CB THR A 91 1.454 9.996 -14.497 1.00 71.41 C ATOM 1433 OG1 THR A 91 0.310 10.845 -14.469 1.00 30.23 O ATOM 1434 CG2 THR A 91 2.323 10.503 -13.345 1.00 45.31 C ATOM 0 H THR A 91 3.813 9.562 -14.915 1.00 11.41 H new ATOM 0 HA THR A 91 1.650 9.560 -16.579 1.00 61.04 H new ATOM 0 HB THR A 91 1.283 8.926 -14.378 1.00 71.41 H new ATOM 0 HG1 THR A 91 -0.158 10.735 -13.615 1.00 30.23 H new ATOM 0 HG21 THR A 91 1.831 10.289 -12.396 1.00 45.31 H new ATOM 0 HG22 THR A 91 3.291 10.003 -13.372 1.00 45.31 H new ATOM 0 HG23 THR A 91 2.467 11.579 -13.444 1.00 45.31 H new ATOM 1442 N HIS A 92 2.510 12.633 -15.916 1.00 0.40 N ATOM 1443 CA HIS A 92 2.324 14.008 -16.347 1.00 52.43 C ATOM 1444 C HIS A 92 3.558 14.474 -17.123 1.00 14.41 C ATOM 1445 O HIS A 92 3.499 14.657 -18.338 1.00 1.32 O ATOM 1446 CB HIS A 92 1.996 14.911 -15.157 1.00 11.54 C ATOM 1447 CG HIS A 92 1.258 14.212 -14.040 1.00 25.31 C ATOM 1448 ND1 HIS A 92 -0.107 14.334 -13.851 1.00 72.14 N ATOM 1449 CD2 HIS A 92 1.710 13.381 -13.057 1.00 2.23 C ATOM 1450 CE1 HIS A 92 -0.451 13.606 -12.799 1.00 2.32 C ATOM 1451 NE2 HIS A 92 0.677 13.017 -12.307 1.00 50.24 N ATOM 0 H HIS A 92 3.239 12.501 -15.215 1.00 0.40 H new ATOM 0 HA HIS A 92 1.469 14.069 -17.021 1.00 52.43 H new ATOM 0 HB2 HIS A 92 2.924 15.325 -14.762 1.00 11.54 H new ATOM 0 HB3 HIS A 92 1.395 15.751 -15.506 1.00 11.54 H new ATOM 0 HD1 HIS A 92 -0.741 14.890 -14.424 1.00 72.14 H new ATOM 0 HD2 HIS A 92 2.735 13.072 -12.913 1.00 2.23 H new ATOM 0 HE1 HIS A 92 -1.449 13.498 -12.401 1.00 2.32 H new ATOM 1459 N GLY A 93 4.646 14.653 -16.389 1.00 12.34 N ATOM 1460 CA GLY A 93 5.892 15.095 -16.992 1.00 73.51 C ATOM 1461 C GLY A 93 6.863 15.611 -15.929 1.00 3.10 C ATOM 1462 O GLY A 93 6.488 15.779 -14.770 1.00 25.15 O ATOM 0 H GLY A 93 4.691 14.500 -15.382 1.00 12.34 H new ATOM 0 HA2 GLY A 93 6.349 14.269 -17.537 1.00 73.51 H new ATOM 0 HA3 GLY A 93 5.690 15.883 -17.718 1.00 73.51 H new ATOM 1466 N THR A 94 8.093 15.849 -16.362 1.00 74.21 N ATOM 1467 CA THR A 94 9.121 16.343 -15.462 1.00 72.20 C ATOM 1468 C THR A 94 9.634 17.705 -15.935 1.00 33.45 C ATOM 1469 O THR A 94 9.661 17.980 -17.133 1.00 60.10 O ATOM 1470 CB THR A 94 10.217 15.280 -15.368 1.00 21.13 C ATOM 1471 OG1 THR A 94 9.510 14.077 -15.079 1.00 23.21 O ATOM 1472 CG2 THR A 94 11.124 15.480 -14.152 1.00 10.23 C ATOM 0 H THR A 94 8.400 15.709 -17.324 1.00 74.21 H new ATOM 0 HA THR A 94 8.724 16.510 -14.461 1.00 72.20 H new ATOM 0 HB THR A 94 10.819 15.298 -16.277 1.00 21.13 H new ATOM 0 HG1 THR A 94 9.120 13.720 -15.904 1.00 23.21 H new ATOM 0 HG21 THR A 94 11.884 14.699 -14.133 1.00 10.23 H new ATOM 0 HG22 THR A 94 11.607 16.455 -14.215 1.00 10.23 H new ATOM 0 HG23 THR A 94 10.528 15.428 -13.241 1.00 10.23 H new ATOM 1480 N PHE A 95 10.028 18.521 -14.968 1.00 33.51 N ATOM 1481 CA PHE A 95 10.538 19.847 -15.270 1.00 64.00 C ATOM 1482 C PHE A 95 11.855 20.108 -14.536 1.00 65.34 C ATOM 1483 O PHE A 95 12.275 19.306 -13.703 1.00 43.11 O ATOM 1484 CB PHE A 95 9.491 20.851 -14.785 1.00 33.33 C ATOM 1485 CG PHE A 95 8.465 21.244 -15.850 1.00 45.22 C ATOM 1486 CD1 PHE A 95 7.694 20.290 -16.437 1.00 11.24 C ATOM 1487 CD2 PHE A 95 8.326 22.548 -16.211 1.00 12.23 C ATOM 1488 CE1 PHE A 95 6.742 20.655 -17.425 1.00 44.44 C ATOM 1489 CE2 PHE A 95 7.374 22.913 -17.199 1.00 44.45 C ATOM 1490 CZ PHE A 95 6.603 21.959 -17.786 1.00 13.41 C ATOM 0 H PHE A 95 10.004 18.289 -13.975 1.00 33.51 H new ATOM 0 HA PHE A 95 10.724 19.939 -16.340 1.00 64.00 H new ATOM 0 HB2 PHE A 95 8.966 20.428 -13.928 1.00 33.33 H new ATOM 0 HB3 PHE A 95 9.999 21.750 -14.435 1.00 33.33 H new ATOM 0 HD1 PHE A 95 7.806 19.254 -16.152 1.00 11.24 H new ATOM 0 HD2 PHE A 95 8.940 23.306 -15.746 1.00 12.23 H new ATOM 0 HE1 PHE A 95 6.128 19.897 -17.890 1.00 44.44 H new ATOM 0 HE2 PHE A 95 7.262 23.949 -17.484 1.00 44.45 H new ATOM 0 HZ PHE A 95 5.880 22.237 -18.539 1.00 13.41 H new ATOM 1500 N LEU A 96 12.471 21.232 -14.873 1.00 32.23 N ATOM 1501 CA LEU A 96 13.732 21.608 -14.256 1.00 54.24 C ATOM 1502 C LEU A 96 13.680 23.085 -13.860 1.00 50.25 C ATOM 1503 O LEU A 96 14.458 23.894 -14.363 1.00 64.15 O ATOM 1504 CB LEU A 96 14.903 21.259 -15.176 1.00 62.33 C ATOM 1505 CG LEU A 96 16.285 21.716 -14.706 1.00 2.52 C ATOM 1506 CD1 LEU A 96 16.533 21.306 -13.253 1.00 4.31 C ATOM 1507 CD2 LEU A 96 17.381 21.202 -15.642 1.00 1.54 C ATOM 0 H LEU A 96 12.120 21.894 -15.565 1.00 32.23 H new ATOM 0 HA LEU A 96 13.894 21.038 -13.341 1.00 54.24 H new ATOM 0 HB2 LEU A 96 14.925 20.177 -15.308 1.00 62.33 H new ATOM 0 HB3 LEU A 96 14.712 21.696 -16.156 1.00 62.33 H new ATOM 0 HG LEU A 96 16.315 22.805 -14.743 1.00 2.52 H new ATOM 0 HD11 LEU A 96 17.522 21.643 -12.944 1.00 4.31 H new ATOM 0 HD12 LEU A 96 15.778 21.762 -12.612 1.00 4.31 H new ATOM 0 HD13 LEU A 96 16.476 20.221 -13.166 1.00 4.31 H new ATOM 0 HD21 LEU A 96 18.353 21.541 -15.285 1.00 1.54 H new ATOM 0 HD22 LEU A 96 17.362 20.112 -15.661 1.00 1.54 H new ATOM 0 HD23 LEU A 96 17.210 21.586 -16.648 1.00 1.54 H new ATOM 1519 N GLY A 97 12.755 23.392 -12.963 1.00 2.23 N ATOM 1520 CA GLY A 97 12.592 24.758 -12.494 1.00 32.34 C ATOM 1521 C GLY A 97 12.163 25.682 -13.635 1.00 33.01 C ATOM 1522 O GLY A 97 12.981 26.420 -14.182 1.00 12.14 O ATOM 0 H GLY A 97 12.111 22.719 -12.548 1.00 2.23 H new ATOM 0 HA2 GLY A 97 11.847 24.787 -11.699 1.00 32.34 H new ATOM 0 HA3 GLY A 97 13.529 25.114 -12.066 1.00 32.34 H new ATOM 1526 N HIS A 98 10.880 25.611 -13.961 1.00 5.23 N ATOM 1527 CA HIS A 98 10.333 26.432 -15.027 1.00 51.41 C ATOM 1528 C HIS A 98 10.692 25.820 -16.382 1.00 51.04 C ATOM 1529 O HIS A 98 10.311 26.347 -17.426 1.00 74.14 O ATOM 1530 CB HIS A 98 10.799 27.883 -14.890 1.00 3.13 C ATOM 1531 CG HIS A 98 11.906 28.265 -15.843 1.00 42.22 C ATOM 1532 ND1 HIS A 98 13.204 28.507 -15.427 1.00 71.33 N ATOM 1533 CD2 HIS A 98 11.896 28.444 -17.195 1.00 74.24 C ATOM 1534 CE1 HIS A 98 13.933 28.817 -16.489 1.00 74.34 C ATOM 1535 NE2 HIS A 98 13.120 28.778 -17.584 1.00 71.32 N ATOM 0 H HIS A 98 10.204 24.998 -13.505 1.00 5.23 H new ATOM 0 HA HIS A 98 9.246 26.452 -14.953 1.00 51.41 H new ATOM 0 HB2 HIS A 98 9.948 28.544 -15.054 1.00 3.13 H new ATOM 0 HB3 HIS A 98 11.140 28.049 -13.868 1.00 3.13 H new ATOM 0 HD1 HIS A 98 13.542 28.455 -14.466 1.00 71.33 H new ATOM 0 HD2 HIS A 98 11.037 28.333 -17.840 1.00 74.24 H new ATOM 0 HE1 HIS A 98 14.986 29.058 -16.488 1.00 74.34 H new ATOM 1543 N ILE A 99 11.421 24.716 -16.322 1.00 63.40 N ATOM 1544 CA ILE A 99 11.836 24.026 -17.532 1.00 22.34 C ATOM 1545 C ILE A 99 11.070 22.707 -17.650 1.00 32.34 C ATOM 1546 O ILE A 99 10.784 22.059 -16.644 1.00 35.11 O ATOM 1547 CB ILE A 99 13.357 23.858 -17.558 1.00 72.10 C ATOM 1548 CG1 ILE A 99 14.060 25.213 -17.455 1.00 33.02 C ATOM 1549 CG2 ILE A 99 13.801 23.075 -18.795 1.00 75.32 C ATOM 1550 CD1 ILE A 99 15.556 25.036 -17.188 1.00 32.43 C ATOM 0 H ILE A 99 11.735 24.282 -15.454 1.00 63.40 H new ATOM 0 HA ILE A 99 11.588 24.619 -18.413 1.00 22.34 H new ATOM 0 HB ILE A 99 13.651 23.275 -16.685 1.00 72.10 H new ATOM 0 HG12 ILE A 99 13.916 25.773 -18.379 1.00 33.02 H new ATOM 0 HG13 ILE A 99 13.611 25.800 -16.654 1.00 33.02 H new ATOM 0 HG21 ILE A 99 14.886 22.970 -18.789 1.00 75.32 H new ATOM 0 HG22 ILE A 99 13.341 22.087 -18.785 1.00 75.32 H new ATOM 0 HG23 ILE A 99 13.493 23.609 -19.694 1.00 75.32 H new ATOM 0 HD11 ILE A 99 16.032 26.014 -17.119 1.00 32.43 H new ATOM 0 HD12 ILE A 99 15.697 24.497 -16.251 1.00 32.43 H new ATOM 0 HD13 ILE A 99 16.007 24.470 -18.003 1.00 32.43 H new ATOM 1562 N ARG A 100 10.759 22.348 -18.887 1.00 5.23 N ATOM 1563 CA ARG A 100 10.032 21.118 -19.149 1.00 52.12 C ATOM 1564 C ARG A 100 10.933 20.112 -19.868 1.00 34.53 C ATOM 1565 O ARG A 100 11.767 20.494 -20.687 1.00 31.14 O ATOM 1566 CB ARG A 100 8.792 21.384 -20.005 1.00 34.22 C ATOM 1567 CG ARG A 100 9.159 21.485 -21.487 1.00 2.24 C ATOM 1568 CD ARG A 100 8.960 20.143 -22.194 1.00 5.21 C ATOM 1569 NE ARG A 100 7.621 19.599 -21.879 1.00 72.41 N ATOM 1570 CZ ARG A 100 6.485 19.977 -22.502 1.00 75.13 C ATOM 1571 NH1 ARG A 100 6.517 20.906 -23.481 1.00 15.32 N ATOM 1572 NH2 ARG A 100 5.342 19.424 -22.140 1.00 53.33 N ATOM 0 H ARG A 100 10.997 22.888 -19.719 1.00 5.23 H new ATOM 0 HA ARG A 100 9.717 20.708 -18.190 1.00 52.12 H new ATOM 0 HB2 ARG A 100 8.067 20.583 -19.860 1.00 34.22 H new ATOM 0 HB3 ARG A 100 8.314 22.309 -19.681 1.00 34.22 H new ATOM 0 HG2 ARG A 100 8.545 22.247 -21.966 1.00 2.24 H new ATOM 0 HG3 ARG A 100 10.197 21.803 -21.587 1.00 2.24 H new ATOM 0 HD2 ARG A 100 9.065 20.271 -23.271 1.00 5.21 H new ATOM 0 HD3 ARG A 100 9.731 19.439 -21.880 1.00 5.21 H new ATOM 0 HE ARG A 100 7.552 18.894 -21.145 1.00 72.41 H new ATOM 0 HH11 ARG A 100 7.404 21.328 -23.755 1.00 15.32 H new ATOM 0 HH12 ARG A 100 5.654 21.186 -23.947 1.00 15.32 H new ATOM 0 HH21 ARG A 100 5.327 18.722 -21.400 1.00 53.33 H new ATOM 0 HH22 ARG A 100 4.474 19.698 -22.601 1.00 53.33 H new ATOM 1585 N LEU A 101 10.733 18.845 -19.535 1.00 25.31 N ATOM 1586 CA LEU A 101 11.517 17.780 -20.138 1.00 44.32 C ATOM 1587 C LEU A 101 10.583 16.821 -20.877 1.00 72.53 C ATOM 1588 O LEU A 101 9.407 16.707 -20.535 1.00 31.31 O ATOM 1589 CB LEU A 101 12.393 17.097 -19.086 1.00 2.42 C ATOM 1590 CG LEU A 101 12.724 17.930 -17.846 1.00 11.15 C ATOM 1591 CD1 LEU A 101 13.352 17.062 -16.754 1.00 21.23 C ATOM 1592 CD2 LEU A 101 13.608 19.125 -18.207 1.00 43.12 C ATOM 0 H LEU A 101 10.040 18.532 -18.856 1.00 25.31 H new ATOM 0 HA LEU A 101 12.207 18.187 -20.877 1.00 44.32 H new ATOM 0 HB2 LEU A 101 11.893 16.184 -18.763 1.00 2.42 H new ATOM 0 HB3 LEU A 101 13.328 16.798 -19.559 1.00 2.42 H new ATOM 0 HG LEU A 101 11.792 18.329 -17.445 1.00 11.15 H new ATOM 0 HD11 LEU A 101 13.578 17.679 -15.884 1.00 21.23 H new ATOM 0 HD12 LEU A 101 12.655 16.274 -16.469 1.00 21.23 H new ATOM 0 HD13 LEU A 101 14.272 16.614 -17.129 1.00 21.23 H new ATOM 0 HD21 LEU A 101 13.828 19.700 -17.307 1.00 43.12 H new ATOM 0 HD22 LEU A 101 14.540 18.769 -18.647 1.00 43.12 H new ATOM 0 HD23 LEU A 101 13.087 19.759 -18.924 1.00 43.12 H new ATOM 1604 N GLU A 102 11.141 16.155 -21.877 1.00 61.54 N ATOM 1605 CA GLU A 102 10.372 15.208 -22.668 1.00 3.22 C ATOM 1606 C GLU A 102 10.302 13.856 -21.956 1.00 32.22 C ATOM 1607 O GLU A 102 11.207 13.498 -21.204 1.00 62.01 O ATOM 1608 CB GLU A 102 10.963 15.059 -24.071 1.00 72.22 C ATOM 1609 CG GLU A 102 11.390 16.416 -24.634 1.00 13.01 C ATOM 1610 CD GLU A 102 11.927 16.274 -26.059 1.00 40.14 C ATOM 1611 OE1 GLU A 102 11.845 15.186 -26.647 1.00 74.45 O ATOM 1612 OE2 GLU A 102 12.444 17.346 -26.556 1.00 42.44 O ATOM 0 H GLU A 102 12.117 16.252 -22.158 1.00 61.54 H new ATOM 0 HA GLU A 102 9.358 15.593 -22.776 1.00 3.22 H new ATOM 0 HB2 GLU A 102 11.822 14.389 -24.038 1.00 72.22 H new ATOM 0 HB3 GLU A 102 10.227 14.602 -24.733 1.00 72.22 H new ATOM 0 HG2 GLU A 102 10.541 17.100 -24.628 1.00 13.01 H new ATOM 0 HG3 GLU A 102 12.157 16.854 -23.995 1.00 13.01 H new ATOM 1620 N PRO A 103 9.189 13.122 -22.225 1.00 33.03 N ATOM 1621 CA PRO A 103 8.988 11.817 -21.618 1.00 62.13 C ATOM 1622 C PRO A 103 9.883 10.764 -22.275 1.00 22.21 C ATOM 1623 O PRO A 103 9.395 9.746 -22.764 1.00 14.41 O ATOM 1624 CB PRO A 103 7.506 11.527 -21.790 1.00 10.04 C ATOM 1625 CG PRO A 103 7.023 12.460 -22.888 1.00 61.13 C ATOM 1626 CD PRO A 103 8.096 13.514 -23.110 1.00 33.23 C ATOM 0 HA PRO A 103 9.265 11.796 -20.564 1.00 62.13 H new ATOM 0 HB2 PRO A 103 7.341 10.485 -22.063 1.00 10.04 H new ATOM 0 HB3 PRO A 103 6.963 11.703 -20.861 1.00 10.04 H new ATOM 0 HG2 PRO A 103 6.838 11.904 -23.807 1.00 61.13 H new ATOM 0 HG3 PRO A 103 6.081 12.928 -22.604 1.00 61.13 H new ATOM 0 HD2 PRO A 103 8.418 13.538 -24.151 1.00 33.23 H new ATOM 0 HD3 PRO A 103 7.728 14.511 -22.867 1.00 33.23 H new ATOM 1634 N HIS A 104 11.178 11.044 -22.265 1.00 0.34 N ATOM 1635 CA HIS A 104 12.146 10.134 -22.853 1.00 33.12 C ATOM 1636 C HIS A 104 13.506 10.826 -22.954 1.00 3.41 C ATOM 1637 O HIS A 104 14.542 10.206 -22.719 1.00 71.54 O ATOM 1638 CB HIS A 104 11.647 9.607 -24.200 1.00 10.21 C ATOM 1639 CG HIS A 104 10.988 8.251 -24.123 1.00 30.40 C ATOM 1640 ND1 HIS A 104 11.602 7.150 -23.551 1.00 43.13 N ATOM 1641 CD2 HIS A 104 9.763 7.829 -24.550 1.00 41.31 C ATOM 1642 CE1 HIS A 104 10.776 6.118 -23.637 1.00 13.30 C ATOM 1643 NE2 HIS A 104 9.637 6.541 -24.257 1.00 14.12 N ATOM 0 H HIS A 104 11.580 11.889 -21.859 1.00 0.34 H new ATOM 0 HA HIS A 104 12.268 9.262 -22.210 1.00 33.12 H new ATOM 0 HB2 HIS A 104 10.937 10.321 -24.618 1.00 10.21 H new ATOM 0 HB3 HIS A 104 12.488 9.552 -24.891 1.00 10.21 H new ATOM 0 HD1 HIS A 104 12.533 7.136 -23.134 1.00 43.13 H new ATOM 0 HD2 HIS A 104 9.021 8.440 -25.043 1.00 41.31 H new ATOM 0 HE1 HIS A 104 10.970 5.118 -23.279 1.00 13.30 H new ATOM 1651 N LYS A 105 13.460 12.104 -23.303 1.00 72.53 N ATOM 1652 CA LYS A 105 14.676 12.887 -23.438 1.00 51.33 C ATOM 1653 C LYS A 105 15.141 13.342 -22.053 1.00 72.04 C ATOM 1654 O LYS A 105 14.377 13.955 -21.308 1.00 64.55 O ATOM 1655 CB LYS A 105 14.465 14.038 -24.425 1.00 21.23 C ATOM 1656 CG LYS A 105 14.503 15.389 -23.707 1.00 73.24 C ATOM 1657 CD LYS A 105 14.814 16.522 -24.688 1.00 33.52 C ATOM 1658 CE LYS A 105 14.383 17.874 -24.117 1.00 51.21 C ATOM 1659 NZ LYS A 105 15.450 18.882 -24.311 1.00 33.33 N ATOM 0 H LYS A 105 12.599 12.616 -23.496 1.00 72.53 H new ATOM 0 HA LYS A 105 15.476 12.279 -23.859 1.00 51.33 H new ATOM 0 HB2 LYS A 105 15.237 14.009 -25.194 1.00 21.23 H new ATOM 0 HB3 LYS A 105 13.507 13.917 -24.931 1.00 21.23 H new ATOM 0 HG2 LYS A 105 13.544 15.575 -23.223 1.00 73.24 H new ATOM 0 HG3 LYS A 105 15.258 15.366 -22.921 1.00 73.24 H new ATOM 0 HD2 LYS A 105 15.882 16.538 -24.904 1.00 33.52 H new ATOM 0 HD3 LYS A 105 14.301 16.342 -25.632 1.00 33.52 H new ATOM 0 HE2 LYS A 105 13.467 18.207 -24.605 1.00 51.21 H new ATOM 0 HE3 LYS A 105 14.159 17.772 -23.055 1.00 51.21 H new ATOM 0 HZ1 LYS A 105 15.142 19.794 -23.918 1.00 33.33 H new ATOM 0 HZ2 LYS A 105 16.315 18.570 -23.825 1.00 33.33 H new ATOM 0 HZ3 LYS A 105 15.644 18.991 -25.327 1.00 33.33 H new ATOM 1672 N PRO A 106 16.424 13.016 -21.742 1.00 40.12 N ATOM 1673 CA PRO A 106 17.000 13.384 -20.460 1.00 52.30 C ATOM 1674 C PRO A 106 17.332 14.877 -20.416 1.00 52.34 C ATOM 1675 O PRO A 106 17.426 15.527 -21.457 1.00 20.51 O ATOM 1676 CB PRO A 106 18.226 12.499 -20.310 1.00 71.54 C ATOM 1677 CG PRO A 106 18.555 12.002 -21.709 1.00 55.00 C ATOM 1678 CD PRO A 106 17.357 12.291 -22.600 1.00 3.24 C ATOM 0 HA PRO A 106 16.310 13.230 -19.630 1.00 52.30 H new ATOM 0 HB2 PRO A 106 19.061 13.057 -19.887 1.00 71.54 H new ATOM 0 HB3 PRO A 106 18.026 11.666 -19.636 1.00 71.54 H new ATOM 0 HG2 PRO A 106 19.445 12.501 -22.092 1.00 55.00 H new ATOM 0 HG3 PRO A 106 18.771 10.934 -21.694 1.00 55.00 H new ATOM 0 HD2 PRO A 106 17.643 12.887 -23.467 1.00 3.24 H new ATOM 0 HD3 PRO A 106 16.913 11.370 -22.978 1.00 3.24 H new ATOM 1686 N GLN A 107 17.500 15.378 -19.201 1.00 41.15 N ATOM 1687 CA GLN A 107 17.820 16.782 -19.009 1.00 12.45 C ATOM 1688 C GLN A 107 18.816 16.947 -17.859 1.00 32.02 C ATOM 1689 O GLN A 107 18.476 16.713 -16.700 1.00 70.31 O ATOM 1690 CB GLN A 107 16.553 17.604 -18.759 1.00 24.34 C ATOM 1691 CG GLN A 107 16.876 18.890 -17.995 1.00 73.12 C ATOM 1692 CD GLN A 107 17.866 19.757 -18.776 1.00 15.24 C ATOM 1693 OE1 GLN A 107 17.756 19.942 -19.977 1.00 23.44 O ATOM 1694 NE2 GLN A 107 18.835 20.278 -18.028 1.00 71.33 N ATOM 0 H GLN A 107 17.421 14.837 -18.340 1.00 41.15 H new ATOM 0 HA GLN A 107 18.283 17.157 -19.922 1.00 12.45 H new ATOM 0 HB2 GLN A 107 16.081 17.851 -19.710 1.00 24.34 H new ATOM 0 HB3 GLN A 107 15.836 17.010 -18.192 1.00 24.34 H new ATOM 0 HG2 GLN A 107 15.959 19.451 -17.815 1.00 73.12 H new ATOM 0 HG3 GLN A 107 17.295 18.642 -17.019 1.00 73.12 H new ATOM 0 HE21 GLN A 107 18.868 20.082 -17.027 1.00 71.33 H new ATOM 0 HE22 GLN A 107 19.545 20.873 -18.455 1.00 71.33 H new ATOM 1703 N GLN A 108 20.026 17.349 -18.219 1.00 73.24 N ATOM 1704 CA GLN A 108 21.073 17.547 -17.232 1.00 44.43 C ATOM 1705 C GLN A 108 20.512 18.255 -15.997 1.00 71.14 C ATOM 1706 O GLN A 108 19.412 18.804 -16.039 1.00 31.35 O ATOM 1707 CB GLN A 108 22.246 18.330 -17.827 1.00 13.20 C ATOM 1708 CG GLN A 108 22.335 19.731 -17.218 1.00 71.01 C ATOM 1709 CD GLN A 108 23.449 20.546 -17.878 1.00 61.21 C ATOM 1710 OE1 GLN A 108 23.595 20.579 -19.089 1.00 0.41 O ATOM 1711 NE2 GLN A 108 24.225 21.199 -17.017 1.00 74.31 N ATOM 0 H GLN A 108 20.304 17.543 -19.181 1.00 73.24 H new ATOM 0 HA GLN A 108 21.448 16.570 -16.927 1.00 44.43 H new ATOM 0 HB2 GLN A 108 23.176 17.791 -17.647 1.00 13.20 H new ATOM 0 HB3 GLN A 108 22.126 18.406 -18.908 1.00 13.20 H new ATOM 0 HG2 GLN A 108 21.382 20.246 -17.340 1.00 71.01 H new ATOM 0 HG3 GLN A 108 22.521 19.655 -16.147 1.00 71.01 H new ATOM 0 HE21 GLN A 108 24.047 21.128 -16.015 1.00 74.31 H new ATOM 0 HE22 GLN A 108 24.998 21.771 -17.359 1.00 74.31 H new ATOM 1720 N ILE A 109 21.293 18.219 -14.928 1.00 2.11 N ATOM 1721 CA ILE A 109 20.888 18.850 -13.683 1.00 53.14 C ATOM 1722 C ILE A 109 22.096 19.544 -13.051 1.00 52.23 C ATOM 1723 O ILE A 109 23.023 18.883 -12.586 1.00 14.24 O ATOM 1724 CB ILE A 109 20.211 17.833 -12.762 1.00 65.43 C ATOM 1725 CG1 ILE A 109 19.264 16.925 -13.550 1.00 1.14 C ATOM 1726 CG2 ILE A 109 19.502 18.531 -11.600 1.00 43.34 C ATOM 1727 CD1 ILE A 109 17.980 17.668 -13.926 1.00 65.54 C ATOM 0 H ILE A 109 22.205 17.763 -14.898 1.00 2.11 H new ATOM 0 HA ILE A 109 20.141 19.621 -13.872 1.00 53.14 H new ATOM 0 HB ILE A 109 20.983 17.196 -12.331 1.00 65.43 H new ATOM 0 HG12 ILE A 109 19.761 16.571 -14.453 1.00 1.14 H new ATOM 0 HG13 ILE A 109 19.019 16.045 -12.955 1.00 1.14 H new ATOM 0 HG21 ILE A 109 19.029 17.785 -10.961 1.00 43.34 H new ATOM 0 HG22 ILE A 109 20.229 19.099 -11.019 1.00 43.34 H new ATOM 0 HG23 ILE A 109 18.742 19.208 -11.991 1.00 43.34 H new ATOM 0 HD11 ILE A 109 17.324 17.001 -14.485 1.00 65.54 H new ATOM 0 HD12 ILE A 109 17.473 18.000 -13.020 1.00 65.54 H new ATOM 0 HD13 ILE A 109 18.227 18.533 -14.541 1.00 65.54 H new ATOM 1739 N PRO A 110 22.045 20.903 -13.055 1.00 50.34 N ATOM 1740 CA PRO A 110 23.124 21.694 -12.488 1.00 53.32 C ATOM 1741 C PRO A 110 23.081 21.663 -10.959 1.00 63.21 C ATOM 1742 O PRO A 110 22.113 21.184 -10.371 1.00 60.41 O ATOM 1743 CB PRO A 110 22.931 23.090 -13.059 1.00 72.42 C ATOM 1744 CG PRO A 110 21.494 23.144 -13.551 1.00 75.52 C ATOM 1745 CD PRO A 110 20.963 21.720 -13.598 1.00 62.12 C ATOM 0 HA PRO A 110 24.110 21.306 -12.745 1.00 53.32 H new ATOM 0 HB2 PRO A 110 23.113 23.851 -12.300 1.00 72.42 H new ATOM 0 HB3 PRO A 110 23.630 23.279 -13.874 1.00 72.42 H new ATOM 0 HG2 PRO A 110 20.886 23.756 -12.886 1.00 75.52 H new ATOM 0 HG3 PRO A 110 21.446 23.602 -14.539 1.00 75.52 H new ATOM 0 HD2 PRO A 110 20.053 21.617 -13.006 1.00 62.12 H new ATOM 0 HD3 PRO A 110 20.716 21.423 -14.617 1.00 62.12 H new ATOM 1753 N ILE A 111 24.143 22.180 -10.359 1.00 22.12 N ATOM 1754 CA ILE A 111 24.239 22.217 -8.909 1.00 45.34 C ATOM 1755 C ILE A 111 23.300 23.296 -8.368 1.00 12.51 C ATOM 1756 O ILE A 111 23.081 24.317 -9.018 1.00 53.23 O ATOM 1757 CB ILE A 111 25.695 22.394 -8.473 1.00 43.25 C ATOM 1758 CG1 ILE A 111 26.619 21.454 -9.251 1.00 34.33 C ATOM 1759 CG2 ILE A 111 25.840 22.218 -6.960 1.00 51.35 C ATOM 1760 CD1 ILE A 111 26.191 19.995 -9.073 1.00 4.43 C ATOM 0 H ILE A 111 24.944 22.577 -10.850 1.00 22.12 H new ATOM 0 HA ILE A 111 23.915 21.268 -8.481 1.00 45.34 H new ATOM 0 HB ILE A 111 26.000 23.413 -8.709 1.00 43.25 H new ATOM 0 HG12 ILE A 111 26.603 21.715 -10.309 1.00 34.33 H new ATOM 0 HG13 ILE A 111 27.646 21.580 -8.907 1.00 34.33 H new ATOM 0 HG21 ILE A 111 26.884 22.349 -6.677 1.00 51.35 H new ATOM 0 HG22 ILE A 111 25.229 22.961 -6.447 1.00 51.35 H new ATOM 0 HG23 ILE A 111 25.510 21.219 -6.677 1.00 51.35 H new ATOM 0 HD11 ILE A 111 26.863 19.347 -9.636 1.00 4.43 H new ATOM 0 HD12 ILE A 111 26.232 19.730 -8.016 1.00 4.43 H new ATOM 0 HD13 ILE A 111 25.173 19.867 -9.440 1.00 4.43 H new ATOM 1772 N ASP A 112 22.770 23.034 -7.182 1.00 72.13 N ATOM 1773 CA ASP A 112 21.859 23.970 -6.546 1.00 13.01 C ATOM 1774 C ASP A 112 20.669 24.227 -7.473 1.00 11.12 C ATOM 1775 O ASP A 112 19.943 25.205 -7.300 1.00 40.03 O ATOM 1776 CB ASP A 112 22.546 25.310 -6.276 1.00 12.01 C ATOM 1777 CG ASP A 112 24.003 25.209 -5.819 1.00 54.30 C ATOM 1778 OD1 ASP A 112 24.297 24.686 -4.734 1.00 71.22 O ATOM 1779 OD2 ASP A 112 24.867 25.703 -6.640 1.00 13.12 O ATOM 0 H ASP A 112 22.954 22.187 -6.645 1.00 72.13 H new ATOM 0 HA ASP A 112 21.534 23.535 -5.601 1.00 13.01 H new ATOM 0 HB2 ASP A 112 22.507 25.911 -7.185 1.00 12.01 H new ATOM 0 HB3 ASP A 112 21.978 25.845 -5.515 1.00 12.01 H new ATOM 1785 N SER A 113 20.506 23.332 -8.436 1.00 12.01 N ATOM 1786 CA SER A 113 19.417 23.450 -9.390 1.00 75.33 C ATOM 1787 C SER A 113 18.085 23.132 -8.707 1.00 1.35 C ATOM 1788 O SER A 113 18.026 23.001 -7.485 1.00 3.41 O ATOM 1789 CB SER A 113 19.632 22.523 -10.589 1.00 12.33 C ATOM 1790 OG SER A 113 18.501 22.501 -11.456 1.00 63.10 O ATOM 0 H SER A 113 21.110 22.522 -8.576 1.00 12.01 H new ATOM 0 HA SER A 113 19.394 24.476 -9.757 1.00 75.33 H new ATOM 0 HB2 SER A 113 20.510 22.849 -11.147 1.00 12.33 H new ATOM 0 HB3 SER A 113 19.837 21.513 -10.234 1.00 12.33 H new ATOM 0 HG SER A 113 18.611 23.180 -12.154 1.00 63.10 H new ATOM 1796 N THR A 114 17.049 23.018 -9.524 1.00 60.33 N ATOM 1797 CA THR A 114 15.722 22.718 -9.014 1.00 1.14 C ATOM 1798 C THR A 114 14.872 22.050 -10.096 1.00 63.03 C ATOM 1799 O THR A 114 14.831 22.516 -11.234 1.00 13.43 O ATOM 1800 CB THR A 114 15.116 24.018 -8.481 1.00 53.03 C ATOM 1801 OG1 THR A 114 15.946 24.361 -7.375 1.00 71.21 O ATOM 1802 CG2 THR A 114 13.734 23.808 -7.859 1.00 72.10 C ATOM 0 H THR A 114 17.102 23.128 -10.537 1.00 60.33 H new ATOM 0 HA THR A 114 15.766 22.002 -8.193 1.00 1.14 H new ATOM 0 HB THR A 114 15.043 24.743 -9.292 1.00 53.03 H new ATOM 0 HG1 THR A 114 16.423 23.563 -7.064 1.00 71.21 H new ATOM 0 HG21 THR A 114 13.349 24.761 -7.497 1.00 72.10 H new ATOM 0 HG22 THR A 114 13.055 23.404 -8.610 1.00 72.10 H new ATOM 0 HG23 THR A 114 13.812 23.108 -7.027 1.00 72.10 H new ATOM 1810 N VAL A 115 14.216 20.968 -9.704 1.00 53.14 N ATOM 1811 CA VAL A 115 13.369 20.231 -10.627 1.00 63.03 C ATOM 1812 C VAL A 115 12.021 19.950 -9.962 1.00 35.21 C ATOM 1813 O VAL A 115 11.947 19.785 -8.745 1.00 52.52 O ATOM 1814 CB VAL A 115 14.084 18.960 -11.091 1.00 74.11 C ATOM 1815 CG1 VAL A 115 15.510 18.900 -10.540 1.00 54.30 C ATOM 1816 CG2 VAL A 115 13.291 17.711 -10.698 1.00 42.43 C ATOM 0 H VAL A 115 14.254 20.584 -8.760 1.00 53.14 H new ATOM 0 HA VAL A 115 13.173 20.823 -11.521 1.00 63.03 H new ATOM 0 HB VAL A 115 14.147 18.989 -12.179 1.00 74.11 H new ATOM 0 HG11 VAL A 115 15.995 17.987 -10.885 1.00 54.30 H new ATOM 0 HG12 VAL A 115 16.073 19.765 -10.891 1.00 54.30 H new ATOM 0 HG13 VAL A 115 15.480 18.905 -9.450 1.00 54.30 H new ATOM 0 HG21 VAL A 115 13.821 16.821 -11.039 1.00 42.43 H new ATOM 0 HG22 VAL A 115 13.182 17.675 -9.614 1.00 42.43 H new ATOM 0 HG23 VAL A 115 12.305 17.746 -11.160 1.00 42.43 H new ATOM 1826 N SER A 116 10.987 19.903 -10.789 1.00 51.35 N ATOM 1827 CA SER A 116 9.645 19.645 -10.297 1.00 34.14 C ATOM 1828 C SER A 116 8.934 18.646 -11.212 1.00 62.03 C ATOM 1829 O SER A 116 8.639 18.956 -12.365 1.00 45.44 O ATOM 1830 CB SER A 116 8.836 20.940 -10.195 1.00 63.13 C ATOM 1831 OG SER A 116 8.198 21.268 -11.426 1.00 40.44 O ATOM 0 H SER A 116 11.052 20.039 -11.798 1.00 51.35 H new ATOM 0 HA SER A 116 9.725 19.219 -9.297 1.00 34.14 H new ATOM 0 HB2 SER A 116 8.084 20.837 -9.413 1.00 63.13 H new ATOM 0 HB3 SER A 116 9.494 21.757 -9.899 1.00 63.13 H new ATOM 0 HG SER A 116 8.297 20.523 -12.054 1.00 40.44 H new ATOM 1837 N PHE A 117 8.680 17.467 -10.664 1.00 73.11 N ATOM 1838 CA PHE A 117 8.009 16.421 -11.417 1.00 64.52 C ATOM 1839 C PHE A 117 6.559 16.805 -11.719 1.00 25.24 C ATOM 1840 O PHE A 117 6.140 17.927 -11.440 1.00 43.21 O ATOM 1841 CB PHE A 117 8.021 15.164 -10.544 1.00 54.12 C ATOM 1842 CG PHE A 117 9.341 14.392 -10.582 1.00 70.10 C ATOM 1843 CD1 PHE A 117 10.523 15.061 -10.509 1.00 54.32 C ATOM 1844 CD2 PHE A 117 9.333 13.036 -10.688 1.00 51.03 C ATOM 1845 CE1 PHE A 117 11.748 14.345 -10.544 1.00 70.42 C ATOM 1846 CE2 PHE A 117 10.558 12.319 -10.723 1.00 43.43 C ATOM 1847 CZ PHE A 117 11.740 12.989 -10.650 1.00 71.35 C ATOM 0 H PHE A 117 8.927 17.213 -9.707 1.00 73.11 H new ATOM 0 HA PHE A 117 8.519 16.262 -12.367 1.00 64.52 H new ATOM 0 HB2 PHE A 117 7.808 15.448 -9.513 1.00 54.12 H new ATOM 0 HB3 PHE A 117 7.216 14.503 -10.866 1.00 54.12 H new ATOM 0 HD1 PHE A 117 10.529 16.138 -10.424 1.00 54.32 H new ATOM 0 HD2 PHE A 117 8.395 12.505 -10.746 1.00 51.03 H new ATOM 0 HE1 PHE A 117 12.686 14.877 -10.486 1.00 70.42 H new ATOM 0 HE2 PHE A 117 10.552 11.242 -10.808 1.00 43.43 H new ATOM 0 HZ PHE A 117 12.672 12.444 -10.676 1.00 71.35 H new ATOM 1857 N GLY A 118 5.833 15.852 -12.284 1.00 25.51 N ATOM 1858 CA GLY A 118 4.439 16.076 -12.626 1.00 43.12 C ATOM 1859 C GLY A 118 3.635 16.502 -11.397 1.00 14.34 C ATOM 1860 O GLY A 118 3.296 17.675 -11.248 1.00 54.42 O ATOM 0 H GLY A 118 6.184 14.922 -12.514 1.00 25.51 H new ATOM 0 HA2 GLY A 118 4.369 16.845 -13.395 1.00 43.12 H new ATOM 0 HA3 GLY A 118 4.013 15.165 -13.046 1.00 43.12 H new ATOM 1864 N ALA A 119 3.352 15.526 -10.546 1.00 41.34 N ATOM 1865 CA ALA A 119 2.594 15.786 -9.334 1.00 74.44 C ATOM 1866 C ALA A 119 3.501 16.461 -8.305 1.00 4.05 C ATOM 1867 O ALA A 119 3.386 17.662 -8.063 1.00 23.40 O ATOM 1868 CB ALA A 119 1.997 14.476 -8.816 1.00 33.15 C ATOM 0 H ALA A 119 3.634 14.554 -10.672 1.00 41.34 H new ATOM 0 HA ALA A 119 1.765 16.465 -9.537 1.00 74.44 H new ATOM 0 HB1 ALA A 119 1.428 14.670 -7.907 1.00 33.15 H new ATOM 0 HB2 ALA A 119 1.337 14.052 -9.573 1.00 33.15 H new ATOM 0 HB3 ALA A 119 2.800 13.771 -8.598 1.00 33.15 H new ATOM 1874 N SER A 120 4.384 15.660 -7.725 1.00 53.22 N ATOM 1875 CA SER A 120 5.311 16.166 -6.727 1.00 33.41 C ATOM 1876 C SER A 120 5.710 17.603 -7.064 1.00 44.42 C ATOM 1877 O SER A 120 6.556 17.830 -7.928 1.00 52.15 O ATOM 1878 CB SER A 120 6.553 15.278 -6.630 1.00 2.21 C ATOM 1879 OG SER A 120 7.652 15.817 -7.360 1.00 61.53 O ATOM 0 H SER A 120 4.477 14.665 -7.927 1.00 53.22 H new ATOM 0 HA SER A 120 4.812 16.153 -5.758 1.00 33.41 H new ATOM 0 HB2 SER A 120 6.835 15.162 -5.584 1.00 2.21 H new ATOM 0 HB3 SER A 120 6.318 14.283 -7.009 1.00 2.21 H new ATOM 0 HG SER A 120 7.316 16.363 -8.101 1.00 61.53 H new ATOM 1885 N THR A 121 5.084 18.538 -6.364 1.00 75.44 N ATOM 1886 CA THR A 121 5.363 19.947 -6.579 1.00 1.33 C ATOM 1887 C THR A 121 6.729 20.315 -5.996 1.00 21.42 C ATOM 1888 O THR A 121 7.177 21.453 -6.124 1.00 40.01 O ATOM 1889 CB THR A 121 4.210 20.754 -5.980 1.00 12.44 C ATOM 1890 OG1 THR A 121 3.921 20.090 -4.753 1.00 24.34 O ATOM 1891 CG2 THR A 121 2.918 20.620 -6.789 1.00 23.32 C ATOM 0 H THR A 121 4.384 18.347 -5.647 1.00 75.44 H new ATOM 0 HA THR A 121 5.424 20.180 -7.642 1.00 1.33 H new ATOM 0 HB THR A 121 4.495 21.805 -5.923 1.00 12.44 H new ATOM 0 HG1 THR A 121 3.185 20.550 -4.298 1.00 24.34 H new ATOM 0 HG21 THR A 121 2.132 21.212 -6.320 1.00 23.32 H new ATOM 0 HG22 THR A 121 3.086 20.978 -7.805 1.00 23.32 H new ATOM 0 HG23 THR A 121 2.614 19.574 -6.819 1.00 23.32 H new ATOM 1899 N ARG A 122 7.353 19.329 -5.368 1.00 2.03 N ATOM 1900 CA ARG A 122 8.659 19.534 -4.765 1.00 1.24 C ATOM 1901 C ARG A 122 9.590 20.251 -5.745 1.00 31.30 C ATOM 1902 O ARG A 122 9.228 20.474 -6.899 1.00 43.12 O ATOM 1903 CB ARG A 122 9.291 18.203 -4.352 1.00 53.15 C ATOM 1904 CG ARG A 122 8.363 17.421 -3.421 1.00 12.15 C ATOM 1905 CD ARG A 122 7.714 18.347 -2.390 1.00 30.04 C ATOM 1906 NE ARG A 122 6.899 17.556 -1.441 1.00 21.23 N ATOM 1907 CZ ARG A 122 7.414 16.803 -0.446 1.00 23.15 C ATOM 1908 NH1 ARG A 122 8.750 16.733 -0.261 1.00 32.34 N ATOM 1909 NH2 ARG A 122 6.593 16.136 0.344 1.00 53.51 N ATOM 0 H ARG A 122 6.978 18.386 -5.264 1.00 2.03 H new ATOM 0 HA ARG A 122 8.520 20.148 -3.875 1.00 1.24 H new ATOM 0 HB2 ARG A 122 9.507 17.608 -5.239 1.00 53.15 H new ATOM 0 HB3 ARG A 122 10.242 18.387 -3.852 1.00 53.15 H new ATOM 0 HG2 ARG A 122 7.590 16.924 -4.006 1.00 12.15 H new ATOM 0 HG3 ARG A 122 8.927 16.641 -2.910 1.00 12.15 H new ATOM 0 HD2 ARG A 122 8.483 18.899 -1.849 1.00 30.04 H new ATOM 0 HD3 ARG A 122 7.088 19.084 -2.894 1.00 30.04 H new ATOM 0 HE ARG A 122 5.885 17.581 -1.545 1.00 21.23 H new ATOM 0 HH11 ARG A 122 9.378 17.251 -0.875 1.00 32.34 H new ATOM 0 HH12 ARG A 122 9.131 16.162 0.493 1.00 32.34 H new ATOM 0 HH21 ARG A 122 5.585 16.194 0.198 1.00 53.51 H new ATOM 0 HH22 ARG A 122 6.967 15.563 1.100 1.00 53.51 H new ATOM 1922 N ALA A 123 10.771 20.591 -5.249 1.00 74.13 N ATOM 1923 CA ALA A 123 11.756 21.277 -6.067 1.00 51.53 C ATOM 1924 C ALA A 123 13.126 20.629 -5.860 1.00 31.33 C ATOM 1925 O ALA A 123 14.057 21.275 -5.381 1.00 34.23 O ATOM 1926 CB ALA A 123 11.758 22.768 -5.721 1.00 61.20 C ATOM 0 H ALA A 123 11.067 20.404 -4.291 1.00 74.13 H new ATOM 0 HA ALA A 123 11.506 21.188 -7.124 1.00 51.53 H new ATOM 0 HB1 ALA A 123 12.497 23.283 -6.335 1.00 61.20 H new ATOM 0 HB2 ALA A 123 10.771 23.188 -5.914 1.00 61.20 H new ATOM 0 HB3 ALA A 123 12.008 22.897 -4.668 1.00 61.20 H new ATOM 1932 N TYR A 124 13.206 19.359 -6.230 1.00 43.35 N ATOM 1933 CA TYR A 124 14.447 18.616 -6.091 1.00 20.11 C ATOM 1934 C TYR A 124 15.656 19.506 -6.387 1.00 52.01 C ATOM 1935 O TYR A 124 15.869 19.910 -7.529 1.00 71.33 O ATOM 1936 CB TYR A 124 14.387 17.496 -7.131 1.00 74.41 C ATOM 1937 CG TYR A 124 13.293 16.459 -6.867 1.00 12.25 C ATOM 1938 CD1 TYR A 124 12.472 16.588 -5.764 1.00 64.31 C ATOM 1939 CD2 TYR A 124 13.126 15.396 -7.730 1.00 64.31 C ATOM 1940 CE1 TYR A 124 11.443 15.612 -5.515 1.00 52.20 C ATOM 1941 CE2 TYR A 124 12.097 14.420 -7.481 1.00 52.21 C ATOM 1942 CZ TYR A 124 11.306 14.577 -6.386 1.00 32.42 C ATOM 1943 OH TYR A 124 10.334 13.655 -6.151 1.00 15.34 O ATOM 0 H TYR A 124 12.432 18.826 -6.626 1.00 43.35 H new ATOM 0 HA TYR A 124 14.555 18.238 -5.075 1.00 20.11 H new ATOM 0 HB2 TYR A 124 14.226 17.936 -8.115 1.00 74.41 H new ATOM 0 HB3 TYR A 124 15.352 16.991 -7.162 1.00 74.41 H new ATOM 0 HD1 TYR A 124 12.602 17.421 -5.088 1.00 64.31 H new ATOM 0 HD2 TYR A 124 13.767 15.296 -8.593 1.00 64.31 H new ATOM 0 HE1 TYR A 124 10.795 15.700 -4.656 1.00 52.20 H new ATOM 0 HE2 TYR A 124 11.957 13.583 -8.148 1.00 52.21 H new ATOM 0 HH TYR A 124 10.352 12.974 -6.855 1.00 15.34 H new ATOM 1953 N THR A 125 16.415 19.786 -5.338 1.00 64.23 N ATOM 1954 CA THR A 125 17.597 20.621 -5.472 1.00 22.34 C ATOM 1955 C THR A 125 18.861 19.758 -5.487 1.00 34.11 C ATOM 1956 O THR A 125 19.302 19.278 -4.444 1.00 13.13 O ATOM 1957 CB THR A 125 17.578 21.651 -4.340 1.00 65.34 C ATOM 1958 OG1 THR A 125 16.719 22.680 -4.823 1.00 3.24 O ATOM 1959 CG2 THR A 125 18.929 22.347 -4.160 1.00 20.32 C ATOM 0 H THR A 125 16.235 19.450 -4.392 1.00 64.23 H new ATOM 0 HA THR A 125 17.597 21.158 -6.421 1.00 22.34 H new ATOM 0 HB THR A 125 17.294 21.162 -3.408 1.00 65.34 H new ATOM 0 HG1 THR A 125 15.833 22.305 -5.012 1.00 3.24 H new ATOM 0 HG21 THR A 125 18.861 23.067 -3.345 1.00 20.32 H new ATOM 0 HG22 THR A 125 19.692 21.605 -3.926 1.00 20.32 H new ATOM 0 HG23 THR A 125 19.197 22.865 -5.081 1.00 20.32 H new ATOM 1967 N LEU A 126 19.407 19.587 -6.682 1.00 23.04 N ATOM 1968 CA LEU A 126 20.611 18.790 -6.847 1.00 3.44 C ATOM 1969 C LEU A 126 21.815 19.580 -6.328 1.00 31.22 C ATOM 1970 O LEU A 126 22.242 20.549 -6.953 1.00 0.32 O ATOM 1971 CB LEU A 126 20.756 18.333 -8.299 1.00 70.43 C ATOM 1972 CG LEU A 126 22.047 17.587 -8.642 1.00 43.02 C ATOM 1973 CD1 LEU A 126 23.154 18.564 -9.044 1.00 22.13 C ATOM 1974 CD2 LEU A 126 22.477 16.676 -7.490 1.00 51.14 C ATOM 0 H LEU A 126 19.038 19.987 -7.545 1.00 23.04 H new ATOM 0 HA LEU A 126 20.548 17.877 -6.255 1.00 3.44 H new ATOM 0 HB2 LEU A 126 19.912 17.688 -8.542 1.00 70.43 H new ATOM 0 HB3 LEU A 126 20.684 19.209 -8.944 1.00 70.43 H new ATOM 0 HG LEU A 126 21.853 16.947 -9.503 1.00 43.02 H new ATOM 0 HD11 LEU A 126 24.061 18.008 -9.283 1.00 22.13 H new ATOM 0 HD12 LEU A 126 22.837 19.134 -9.918 1.00 22.13 H new ATOM 0 HD13 LEU A 126 23.354 19.247 -8.218 1.00 22.13 H new ATOM 0 HD21 LEU A 126 23.397 16.158 -7.760 1.00 51.14 H new ATOM 0 HD22 LEU A 126 22.647 17.276 -6.596 1.00 51.14 H new ATOM 0 HD23 LEU A 126 21.693 15.945 -7.292 1.00 51.14 H new ATOM 1986 N ARG A 127 22.328 19.135 -5.190 1.00 50.11 N ATOM 1987 CA ARG A 127 23.474 19.788 -4.580 1.00 70.22 C ATOM 1988 C ARG A 127 24.759 19.031 -4.920 1.00 63.25 C ATOM 1989 O ARG A 127 24.748 18.124 -5.751 1.00 62.40 O ATOM 1990 CB ARG A 127 23.321 19.862 -3.060 1.00 20.43 C ATOM 1991 CG ARG A 127 23.574 21.282 -2.551 1.00 43.44 C ATOM 1992 CD ARG A 127 22.413 22.210 -2.914 1.00 74.41 C ATOM 1993 NE ARG A 127 21.262 21.953 -2.020 1.00 32.14 N ATOM 1994 CZ ARG A 127 21.124 22.493 -0.790 1.00 30.41 C ATOM 1995 NH1 ARG A 127 22.066 23.325 -0.297 1.00 72.04 N ATOM 1996 NH2 ARG A 127 20.054 22.194 -0.076 1.00 44.11 N ATOM 0 H ARG A 127 21.971 18.330 -4.675 1.00 50.11 H new ATOM 0 HA ARG A 127 23.529 20.801 -4.978 1.00 70.22 H new ATOM 0 HB2 ARG A 127 22.318 19.544 -2.776 1.00 20.43 H new ATOM 0 HB3 ARG A 127 24.020 19.172 -2.587 1.00 20.43 H new ATOM 0 HG2 ARG A 127 23.707 21.266 -1.469 1.00 43.44 H new ATOM 0 HG3 ARG A 127 24.499 21.666 -2.980 1.00 43.44 H new ATOM 0 HD2 ARG A 127 22.727 23.250 -2.827 1.00 74.41 H new ATOM 0 HD3 ARG A 127 22.121 22.051 -3.952 1.00 74.41 H new ATOM 0 HE ARG A 127 20.527 21.329 -2.354 1.00 32.14 H new ATOM 0 HH11 ARG A 127 22.890 23.550 -0.855 1.00 72.04 H new ATOM 0 HH12 ARG A 127 21.954 23.728 0.633 1.00 72.04 H new ATOM 0 HH21 ARG A 127 19.347 21.564 -0.455 1.00 44.11 H new ATOM 0 HH22 ARG A 127 19.934 22.593 0.855 1.00 44.11 H new ATOM 2009 N GLU A 128 25.836 19.432 -4.261 1.00 64.43 N ATOM 2010 CA GLU A 128 27.127 18.802 -4.484 1.00 2.44 C ATOM 2011 C GLU A 128 28.072 19.104 -3.319 1.00 4.10 C ATOM 2012 O GLU A 128 28.588 20.215 -3.205 1.00 41.03 O ATOM 2013 CB GLU A 128 27.735 19.252 -5.814 1.00 12.54 C ATOM 2014 CG GLU A 128 29.235 18.957 -5.859 1.00 4.33 C ATOM 2015 CD GLU A 128 29.730 18.849 -7.303 1.00 33.14 C ATOM 2016 OE1 GLU A 128 29.304 19.633 -8.164 1.00 45.00 O ATOM 2017 OE2 GLU A 128 30.588 17.909 -7.516 1.00 54.51 O ATOM 0 H GLU A 128 25.842 20.185 -3.573 1.00 64.43 H new ATOM 0 HA GLU A 128 26.979 17.723 -4.537 1.00 2.44 H new ATOM 0 HB2 GLU A 128 27.236 18.741 -6.637 1.00 12.54 H new ATOM 0 HB3 GLU A 128 27.567 20.320 -5.952 1.00 12.54 H new ATOM 0 HG2 GLU A 128 29.780 19.747 -5.342 1.00 4.33 H new ATOM 0 HG3 GLU A 128 29.442 18.027 -5.329 1.00 4.33 H new ATOM 2025 N LYS A 129 28.271 18.095 -2.483 1.00 41.43 N ATOM 2026 CA LYS A 129 29.145 18.239 -1.331 1.00 63.15 C ATOM 2027 C LYS A 129 30.352 19.097 -1.716 1.00 50.23 C ATOM 2028 O LYS A 129 31.307 18.601 -2.312 1.00 75.23 O ATOM 2029 CB LYS A 129 29.521 16.866 -0.770 1.00 10.23 C ATOM 2030 CG LYS A 129 28.280 16.113 -0.286 1.00 51.31 C ATOM 2031 CD LYS A 129 28.670 14.859 0.498 1.00 65.45 C ATOM 2032 CE LYS A 129 29.732 15.179 1.552 1.00 14.01 C ATOM 2033 NZ LYS A 129 29.804 14.097 2.560 1.00 51.52 N ATOM 0 H LYS A 129 27.842 17.175 -2.581 1.00 41.43 H new ATOM 0 HA LYS A 129 28.629 18.758 -0.523 1.00 63.15 H new ATOM 0 HB2 LYS A 129 30.029 16.282 -1.538 1.00 10.23 H new ATOM 0 HB3 LYS A 129 30.223 16.986 0.055 1.00 10.23 H new ATOM 0 HG2 LYS A 129 27.676 16.767 0.344 1.00 51.31 H new ATOM 0 HG3 LYS A 129 27.663 15.835 -1.140 1.00 51.31 H new ATOM 0 HD2 LYS A 129 27.788 14.439 0.981 1.00 65.45 H new ATOM 0 HD3 LYS A 129 29.049 14.101 -0.187 1.00 65.45 H new ATOM 0 HE2 LYS A 129 30.703 15.303 1.073 1.00 14.01 H new ATOM 0 HE3 LYS A 129 29.495 16.124 2.041 1.00 14.01 H new ATOM 0 HZ1 LYS A 129 30.529 14.330 3.268 1.00 51.52 H new ATOM 0 HZ2 LYS A 129 28.881 13.998 3.029 1.00 51.52 H new ATOM 0 HZ3 LYS A 129 30.052 13.202 2.092 1.00 51.52 H new ATOM 2046 N PRO A 130 30.268 20.404 -1.350 1.00 53.32 N ATOM 2047 CA PRO A 130 31.341 21.336 -1.651 1.00 1.33 C ATOM 2048 C PRO A 130 32.535 21.116 -0.719 1.00 50.54 C ATOM 2049 O PRO A 130 32.650 20.066 -0.090 1.00 4.35 O ATOM 2050 CB PRO A 130 30.718 22.715 -1.503 1.00 22.23 C ATOM 2051 CG PRO A 130 29.457 22.516 -0.677 1.00 62.15 C ATOM 2052 CD PRO A 130 29.153 21.027 -0.643 1.00 54.22 C ATOM 0 HA PRO A 130 31.745 21.202 -2.654 1.00 1.33 H new ATOM 0 HB2 PRO A 130 31.404 23.403 -1.009 1.00 22.23 H new ATOM 0 HB3 PRO A 130 30.483 23.144 -2.477 1.00 22.23 H new ATOM 0 HG2 PRO A 130 29.598 22.900 0.333 1.00 62.15 H new ATOM 0 HG3 PRO A 130 28.624 23.066 -1.114 1.00 62.15 H new ATOM 0 HD2 PRO A 130 29.080 20.661 0.381 1.00 54.22 H new ATOM 0 HD3 PRO A 130 28.203 20.806 -1.129 1.00 54.22 H new ATOM 2060 N GLN A 131 33.393 22.124 -0.661 1.00 51.44 N ATOM 2061 CA GLN A 131 34.574 22.055 0.183 1.00 73.45 C ATOM 2062 C GLN A 131 34.169 21.893 1.649 1.00 20.22 C ATOM 2063 O GLN A 131 33.241 22.551 2.117 1.00 21.20 O ATOM 2064 CB GLN A 131 35.458 23.288 -0.009 1.00 44.12 C ATOM 2065 CG GLN A 131 36.700 23.216 0.881 1.00 23.15 C ATOM 2066 CD GLN A 131 37.805 22.393 0.216 1.00 21.31 C ATOM 2067 OE1 GLN A 131 37.852 22.232 -0.992 1.00 65.54 O ATOM 2068 NE2 GLN A 131 38.688 21.883 1.070 1.00 63.54 N ATOM 0 H GLN A 131 33.294 22.993 -1.185 1.00 51.44 H new ATOM 0 HA GLN A 131 35.157 21.182 -0.111 1.00 73.45 H new ATOM 0 HB2 GLN A 131 35.759 23.365 -1.054 1.00 44.12 H new ATOM 0 HB3 GLN A 131 34.889 24.188 0.226 1.00 44.12 H new ATOM 0 HG2 GLN A 131 37.064 24.223 1.085 1.00 23.15 H new ATOM 0 HG3 GLN A 131 36.438 22.771 1.841 1.00 23.15 H new ATOM 0 HE21 GLN A 131 38.589 22.057 2.070 1.00 63.54 H new ATOM 0 HE22 GLN A 131 39.464 21.318 0.725 1.00 63.54 H new ATOM 2077 N THR A 132 34.885 21.013 2.334 1.00 42.12 N ATOM 2078 CA THR A 132 34.612 20.756 3.738 1.00 43.52 C ATOM 2079 C THR A 132 34.823 22.027 4.563 1.00 41.40 C ATOM 2080 O THR A 132 34.902 21.970 5.789 1.00 23.11 O ATOM 2081 CB THR A 132 35.494 19.589 4.185 1.00 74.51 C ATOM 2082 OG1 THR A 132 35.181 19.426 5.566 1.00 52.25 O ATOM 2083 CG2 THR A 132 36.982 19.942 4.179 1.00 1.42 C ATOM 0 H THR A 132 35.654 20.469 1.943 1.00 42.12 H new ATOM 0 HA THR A 132 33.571 20.474 3.893 1.00 43.52 H new ATOM 0 HB THR A 132 35.322 18.734 3.531 1.00 74.51 H new ATOM 0 HG1 THR A 132 34.870 20.279 5.934 1.00 52.25 H new ATOM 0 HG21 THR A 132 37.562 19.078 4.504 1.00 1.42 H new ATOM 0 HG22 THR A 132 37.285 20.224 3.171 1.00 1.42 H new ATOM 0 HG23 THR A 132 37.161 20.776 4.858 1.00 1.42 H new TER 2091 THR A 132