USER MOD reduce.3.24.130724 H: found=0, std=0, add=1158, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1158 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 62 GLN : amide:sc= 0.563 K(o=1.2,f=-3.7!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -178:sc= 0.636 (180deg=0) USER MOD Set 2.1: A 11 ASN : amide:sc= -0.287 K(o=-1.4,f=-3.4!) USER MOD Set 2.2: A 83 GLN : amide:sc= -1.16 K(o=-1.4,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.149) USER MOD Single : A 2 LYS NZ :NH3+ -119:sc= -0.829! (180deg=-3.22!) USER MOD Single : A 8 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.16) USER MOD Single : A 9 THR OG1 : rot 150:sc= 0.101 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 141:sc= 0.177 (180deg=-0.26) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= -0.0244 (180deg=-0.158) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 25 GLN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 27 TYR OH : rot 63:sc= -0.399 USER MOD Single : A 28 GLN :FLIP amide:sc=-0.000524 F(o=-1.2,f=-0.00052) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0785 USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= -0.0367 (180deg=-0.508) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0041) USER MOD Single : A 42 MET CE :methyl 163:sc= -0.79 (180deg=-1.96) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0342) USER MOD Single : A 44 LYS NZ :NH3+ 148:sc= 0.295 (180deg=-0.369) USER MOD Single : A 49 LYS NZ :NH3+ 135:sc= -0.846 (180deg=-3.09!) USER MOD Single : A 50 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.6!) USER MOD Single : A 53 LYS NZ :NH3+ -145:sc= 0.808 (180deg=-0.53!) USER MOD Single : A 58 SER OG : rot -104:sc= 0.0354 USER MOD Single : A 59 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.5) USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 0.19 (180deg=-0.872!) USER MOD Single : A 67 MET CE :methyl 160:sc= -1.78 (180deg=-2.36!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0347) USER MOD Single : A 76 TYR OH : rot -74:sc= -0.0613 USER MOD Single : A 77 LYS NZ :NH3+ -163:sc= -0.0421 (180deg=-0.331) USER MOD Single : A 85 GLN : amide:sc=-0.00532 X(o=-0.0053,f=-0.015) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 94 LYS NZ :NH3+ -140:sc= -0.0589 (180deg=-1.26!) USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0229) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.353 K(o=-0.35,f=-1.3) USER MOD Single : A 102 TYR OH : rot 130:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0244) USER MOD Single : A 108 THR OG1 : rot -82:sc= -0.0756 USER MOD Single : A 115 LYS NZ :NH3+ 173:sc= 0.143 (180deg=0.128) USER MOD Single : A 121 MET CE :methyl -168:sc= -0.794 (180deg=-1.35) USER MOD Single : A 122 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -172:sc=-0.00904 (180deg=-0.102) USER MOD Single : A 126 SER OG : rot 61:sc= 1.17 USER MOD Single : A 129 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.0081) USER MOD Single : A 130 HIS : no HE2:sc= 0.366 K(o=0.37,f=-1.8!) USER MOD Single : A 131 HIS : no HE2:sc= -0.0821 K(o=-0.082,f=-0.96) USER MOD Single : A 132 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=0) USER MOD Single : A 133 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=-0.051) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.377 8.066 14.488 1.00 23.14 N ATOM 2 CA MET A 1 1.052 8.368 14.235 1.00 31.03 C ATOM 3 C MET A 1 1.650 7.404 13.199 1.00 0.00 C ATOM 4 O MET A 1 2.392 7.829 12.302 1.00 31.23 O ATOM 5 CB MET A 1 1.850 8.323 15.582 1.00 21.12 C ATOM 6 CG MET A 1 3.384 8.489 15.476 1.00 42.24 C ATOM 7 SD MET A 1 4.215 7.005 14.845 1.00 72.21 S ATOM 8 CE MET A 1 5.934 7.510 14.810 1.00 74.45 C ATOM 0 H1 MET A 1 -0.806 8.845 15.028 1.00 23.14 H new ATOM 0 H2 MET A 1 -0.875 7.958 13.581 1.00 23.14 H new ATOM 0 H3 MET A 1 -0.454 7.183 15.033 1.00 23.14 H new ATOM 0 HA MET A 1 1.128 9.373 13.819 1.00 31.03 H new ATOM 0 HB2 MET A 1 1.465 9.107 16.234 1.00 21.12 H new ATOM 0 HB3 MET A 1 1.642 7.371 16.071 1.00 21.12 H new ATOM 0 HG2 MET A 1 3.609 9.331 14.821 1.00 42.24 H new ATOM 0 HG3 MET A 1 3.786 8.734 16.459 1.00 42.24 H new ATOM 0 HE1 MET A 1 6.547 6.688 14.441 1.00 74.45 H new ATOM 0 HE2 MET A 1 6.047 8.371 14.151 1.00 74.45 H new ATOM 0 HE3 MET A 1 6.255 7.779 15.816 1.00 74.45 H new ATOM 20 N LYS A 2 1.291 6.112 13.338 1.00 54.01 N ATOM 21 CA LYS A 2 1.968 4.987 12.668 1.00 54.21 C ATOM 22 C LYS A 2 2.041 5.113 11.134 1.00 51.24 C ATOM 23 O LYS A 2 1.151 5.683 10.487 1.00 51.05 O ATOM 24 CB LYS A 2 1.294 3.650 13.054 1.00 73.22 C ATOM 25 CG LYS A 2 -0.221 3.561 12.752 1.00 54.34 C ATOM 26 CD LYS A 2 -0.808 2.192 13.149 1.00 1.23 C ATOM 27 CE LYS A 2 -0.220 1.042 12.323 1.00 0.10 C ATOM 28 NZ LYS A 2 -0.428 -0.282 12.950 1.00 61.32 N ATOM 0 H LYS A 2 0.512 5.818 13.927 1.00 54.01 H new ATOM 0 HA LYS A 2 2.999 5.011 13.022 1.00 54.21 H new ATOM 0 HB2 LYS A 2 1.801 2.841 12.527 1.00 73.22 H new ATOM 0 HB3 LYS A 2 1.446 3.480 14.120 1.00 73.22 H new ATOM 0 HG2 LYS A 2 -0.745 4.350 13.290 1.00 54.34 H new ATOM 0 HG3 LYS A 2 -0.390 3.734 11.689 1.00 54.34 H new ATOM 0 HD2 LYS A 2 -0.617 2.011 14.207 1.00 1.23 H new ATOM 0 HD3 LYS A 2 -1.890 2.212 13.020 1.00 1.23 H new ATOM 0 HE2 LYS A 2 -0.674 1.044 11.332 1.00 0.10 H new ATOM 0 HE3 LYS A 2 0.848 1.209 12.185 1.00 0.10 H new ATOM 0 HZ1 LYS A 2 0.494 -0.719 13.152 1.00 61.32 H new ATOM 0 HZ2 LYS A 2 -0.958 -0.166 13.837 1.00 61.32 H new ATOM 0 HZ3 LYS A 2 -0.966 -0.892 12.302 1.00 61.32 H new ATOM 42 N ILE A 3 3.131 4.548 10.594 1.00 20.24 N ATOM 43 CA ILE A 3 3.430 4.529 9.166 1.00 2.31 C ATOM 44 C ILE A 3 2.923 3.211 8.553 1.00 21.15 C ATOM 45 O ILE A 3 3.298 2.121 9.016 1.00 44.54 O ATOM 46 CB ILE A 3 4.985 4.694 8.925 1.00 4.01 C ATOM 47 CG1 ILE A 3 5.470 6.062 9.512 1.00 72.03 C ATOM 48 CG2 ILE A 3 5.353 4.549 7.422 1.00 73.42 C ATOM 49 CD1 ILE A 3 6.957 6.344 9.377 1.00 72.33 C ATOM 0 H ILE A 3 3.842 4.082 11.157 1.00 20.24 H new ATOM 0 HA ILE A 3 2.923 5.364 8.682 1.00 2.31 H new ATOM 0 HB ILE A 3 5.504 3.890 9.448 1.00 4.01 H new ATOM 0 HG12 ILE A 3 4.920 6.864 9.019 1.00 72.03 H new ATOM 0 HG13 ILE A 3 5.206 6.097 10.569 1.00 72.03 H new ATOM 0 HG21 ILE A 3 6.429 4.669 7.298 1.00 73.42 H new ATOM 0 HG22 ILE A 3 5.054 3.562 7.068 1.00 73.42 H new ATOM 0 HG23 ILE A 3 4.834 5.314 6.845 1.00 73.42 H new ATOM 0 HD11 ILE A 3 7.184 7.316 9.816 1.00 72.33 H new ATOM 0 HD12 ILE A 3 7.523 5.570 9.896 1.00 72.33 H new ATOM 0 HD13 ILE A 3 7.232 6.349 8.322 1.00 72.33 H new ATOM 61 N LEU A 4 2.037 3.321 7.541 1.00 3.51 N ATOM 62 CA LEU A 4 1.595 2.166 6.741 1.00 33.22 C ATOM 63 C LEU A 4 2.300 2.202 5.383 1.00 52.34 C ATOM 64 O LEU A 4 2.578 3.283 4.846 1.00 41.30 O ATOM 65 CB LEU A 4 0.050 2.154 6.506 1.00 52.12 C ATOM 66 CG LEU A 4 -0.866 2.234 7.763 1.00 14.24 C ATOM 67 CD1 LEU A 4 -2.359 2.220 7.356 1.00 52.03 C ATOM 68 CD2 LEU A 4 -0.556 1.105 8.753 1.00 23.11 C ATOM 0 H LEU A 4 1.613 4.205 7.260 1.00 3.51 H new ATOM 0 HA LEU A 4 1.852 1.265 7.298 1.00 33.22 H new ATOM 0 HB2 LEU A 4 -0.198 2.992 5.854 1.00 52.12 H new ATOM 0 HB3 LEU A 4 -0.201 1.243 5.963 1.00 52.12 H new ATOM 0 HG LEU A 4 -0.659 3.179 8.266 1.00 14.24 H new ATOM 0 HD11 LEU A 4 -2.980 2.277 8.250 1.00 52.03 H new ATOM 0 HD12 LEU A 4 -2.569 3.075 6.713 1.00 52.03 H new ATOM 0 HD13 LEU A 4 -2.581 1.298 6.818 1.00 52.03 H new ATOM 0 HD21 LEU A 4 -1.213 1.190 9.619 1.00 23.11 H new ATOM 0 HD22 LEU A 4 -0.717 0.142 8.269 1.00 23.11 H new ATOM 0 HD23 LEU A 4 0.482 1.180 9.076 1.00 23.11 H new ATOM 80 N ILE A 5 2.605 1.019 4.848 1.00 52.15 N ATOM 81 CA ILE A 5 3.060 0.870 3.470 1.00 25.24 C ATOM 82 C ILE A 5 1.876 0.289 2.685 1.00 55.54 C ATOM 83 O ILE A 5 1.541 -0.886 2.829 1.00 25.30 O ATOM 84 CB ILE A 5 4.332 -0.059 3.362 1.00 4.33 C ATOM 85 CG1 ILE A 5 5.445 0.360 4.387 1.00 43.14 C ATOM 86 CG2 ILE A 5 4.884 -0.081 1.914 1.00 34.10 C ATOM 87 CD1 ILE A 5 5.964 1.785 4.251 1.00 14.03 C ATOM 0 H ILE A 5 2.543 0.139 5.360 1.00 52.15 H new ATOM 0 HA ILE A 5 3.369 1.833 3.064 1.00 25.24 H new ATOM 0 HB ILE A 5 4.020 -1.071 3.618 1.00 4.33 H new ATOM 0 HG12 ILE A 5 5.052 0.231 5.395 1.00 43.14 H new ATOM 0 HG13 ILE A 5 6.286 -0.325 4.282 1.00 43.14 H new ATOM 0 HG21 ILE A 5 5.760 -0.728 1.868 1.00 34.10 H new ATOM 0 HG22 ILE A 5 4.117 -0.460 1.238 1.00 34.10 H new ATOM 0 HG23 ILE A 5 5.164 0.929 1.616 1.00 34.10 H new ATOM 0 HD11 ILE A 5 6.728 1.968 5.007 1.00 14.03 H new ATOM 0 HD12 ILE A 5 6.395 1.922 3.259 1.00 14.03 H new ATOM 0 HD13 ILE A 5 5.141 2.487 4.390 1.00 14.03 H new ATOM 99 N LEU A 6 1.211 1.143 1.911 1.00 73.44 N ATOM 100 CA LEU A 6 -0.013 0.789 1.185 1.00 73.41 C ATOM 101 C LEU A 6 0.423 0.307 -0.198 1.00 1.12 C ATOM 102 O LEU A 6 1.065 1.051 -0.929 1.00 63.24 O ATOM 103 CB LEU A 6 -0.956 2.041 1.082 1.00 2.24 C ATOM 104 CG LEU A 6 -2.503 1.784 1.081 1.00 74.32 C ATOM 105 CD1 LEU A 6 -2.962 0.813 -0.034 1.00 53.12 C ATOM 106 CD2 LEU A 6 -2.968 1.311 2.471 1.00 4.31 C ATOM 0 H LEU A 6 1.506 2.109 1.767 1.00 73.44 H new ATOM 0 HA LEU A 6 -0.574 0.008 1.699 1.00 73.41 H new ATOM 0 HB2 LEU A 6 -0.726 2.705 1.915 1.00 2.24 H new ATOM 0 HB3 LEU A 6 -0.704 2.578 0.168 1.00 2.24 H new ATOM 0 HG LEU A 6 -2.983 2.736 0.855 1.00 74.32 H new ATOM 0 HD11 LEU A 6 -4.042 0.679 0.022 1.00 53.12 H new ATOM 0 HD12 LEU A 6 -2.698 1.226 -1.008 1.00 53.12 H new ATOM 0 HD13 LEU A 6 -2.470 -0.151 0.097 1.00 53.12 H new ATOM 0 HD21 LEU A 6 -4.044 1.137 2.455 1.00 4.31 H new ATOM 0 HD22 LEU A 6 -2.454 0.386 2.731 1.00 4.31 H new ATOM 0 HD23 LEU A 6 -2.735 2.076 3.212 1.00 4.31 H new ATOM 118 N ILE A 7 0.135 -0.950 -0.529 1.00 41.33 N ATOM 119 CA ILE A 7 0.470 -1.532 -1.836 1.00 41.12 C ATOM 120 C ILE A 7 -0.783 -2.160 -2.449 1.00 55.44 C ATOM 121 O ILE A 7 -1.428 -3.016 -1.831 1.00 5.22 O ATOM 122 CB ILE A 7 1.621 -2.603 -1.715 1.00 34.31 C ATOM 123 CG1 ILE A 7 2.891 -1.946 -1.088 1.00 55.03 C ATOM 124 CG2 ILE A 7 1.946 -3.258 -3.089 1.00 72.52 C ATOM 125 CD1 ILE A 7 4.038 -2.885 -0.846 1.00 54.33 C ATOM 0 H ILE A 7 -0.338 -1.599 0.100 1.00 41.33 H new ATOM 0 HA ILE A 7 0.834 -0.736 -2.485 1.00 41.12 H new ATOM 0 HB ILE A 7 1.277 -3.402 -1.058 1.00 34.31 H new ATOM 0 HG12 ILE A 7 3.229 -1.145 -1.745 1.00 55.03 H new ATOM 0 HG13 ILE A 7 2.613 -1.485 -0.140 1.00 55.03 H new ATOM 0 HG21 ILE A 7 2.744 -3.990 -2.964 1.00 72.52 H new ATOM 0 HG22 ILE A 7 1.056 -3.754 -3.475 1.00 72.52 H new ATOM 0 HG23 ILE A 7 2.266 -2.489 -3.792 1.00 72.52 H new ATOM 0 HD11 ILE A 7 4.872 -2.336 -0.409 1.00 54.33 H new ATOM 0 HD12 ILE A 7 3.725 -3.673 -0.162 1.00 54.33 H new ATOM 0 HD13 ILE A 7 4.351 -3.328 -1.791 1.00 54.33 H new ATOM 137 N ASN A 8 -1.138 -1.694 -3.650 1.00 71.24 N ATOM 138 CA ASN A 8 -2.165 -2.311 -4.479 1.00 41.41 C ATOM 139 C ASN A 8 -1.477 -2.843 -5.725 1.00 34.22 C ATOM 140 O ASN A 8 -0.968 -2.061 -6.531 1.00 43.11 O ATOM 141 CB ASN A 8 -3.246 -1.279 -4.866 1.00 53.14 C ATOM 142 CG ASN A 8 -4.383 -1.866 -5.712 1.00 30.23 C ATOM 143 OD1 ASN A 8 -5.434 -2.240 -5.199 1.00 5.51 O ATOM 144 ND2 ASN A 8 -4.175 -1.958 -7.018 1.00 53.32 N ATOM 0 H ASN A 8 -0.713 -0.869 -4.074 1.00 71.24 H new ATOM 0 HA ASN A 8 -2.661 -3.115 -3.935 1.00 41.41 H new ATOM 0 HB2 ASN A 8 -3.666 -0.848 -3.957 1.00 53.14 H new ATOM 0 HB3 ASN A 8 -2.777 -0.464 -5.418 1.00 53.14 H new ATOM 0 HD21 ASN A 8 -4.898 -2.347 -7.623 1.00 53.32 H new ATOM 0 HD22 ASN A 8 -3.292 -1.639 -7.418 1.00 53.32 H new ATOM 151 N THR A 9 -1.438 -4.161 -5.861 1.00 61.54 N ATOM 152 CA THR A 9 -0.896 -4.827 -7.044 1.00 32.45 C ATOM 153 C THR A 9 -1.947 -5.794 -7.597 1.00 62.40 C ATOM 154 O THR A 9 -2.728 -6.383 -6.838 1.00 53.50 O ATOM 155 CB THR A 9 0.462 -5.556 -6.729 1.00 43.53 C ATOM 156 OG1 THR A 9 1.010 -6.135 -7.927 1.00 32.14 O ATOM 157 CG2 THR A 9 0.328 -6.643 -5.642 1.00 71.22 C ATOM 0 H THR A 9 -1.783 -4.806 -5.150 1.00 61.54 H new ATOM 0 HA THR A 9 -0.669 -4.079 -7.803 1.00 32.45 H new ATOM 0 HB THR A 9 1.137 -4.793 -6.340 1.00 43.53 H new ATOM 0 HG1 THR A 9 1.988 -6.149 -7.866 1.00 32.14 H new ATOM 0 HG21 THR A 9 1.299 -7.108 -5.471 1.00 71.22 H new ATOM 0 HG22 THR A 9 -0.026 -6.190 -4.716 1.00 71.22 H new ATOM 0 HG23 THR A 9 -0.384 -7.400 -5.970 1.00 71.22 H new ATOM 165 N ASN A 10 -1.999 -5.916 -8.928 1.00 5.12 N ATOM 166 CA ASN A 10 -2.834 -6.925 -9.613 1.00 72.54 C ATOM 167 C ASN A 10 -2.103 -8.283 -9.589 1.00 52.51 C ATOM 168 O ASN A 10 -2.719 -9.351 -9.638 1.00 24.45 O ATOM 169 CB ASN A 10 -3.108 -6.461 -11.076 1.00 33.03 C ATOM 170 CG ASN A 10 -3.977 -7.430 -11.890 1.00 31.51 C ATOM 171 OD1 ASN A 10 -5.203 -7.322 -11.902 1.00 65.23 O ATOM 172 ND2 ASN A 10 -3.346 -8.378 -12.579 1.00 25.51 N ATOM 0 H ASN A 10 -1.467 -5.323 -9.565 1.00 5.12 H new ATOM 0 HA ASN A 10 -3.791 -7.036 -9.104 1.00 72.54 H new ATOM 0 HB2 ASN A 10 -3.596 -5.486 -11.051 1.00 33.03 H new ATOM 0 HB3 ASN A 10 -2.155 -6.328 -11.588 1.00 33.03 H new ATOM 0 HD21 ASN A 10 -3.880 -9.043 -13.139 1.00 25.51 H new ATOM 0 HD22 ASN A 10 -2.328 -8.440 -12.547 1.00 25.51 H new ATOM 179 N ASN A 11 -0.770 -8.202 -9.471 1.00 11.31 N ATOM 180 CA ASN A 11 0.139 -9.338 -9.601 1.00 43.41 C ATOM 181 C ASN A 11 0.173 -10.181 -8.310 1.00 3.23 C ATOM 182 O ASN A 11 0.619 -9.706 -7.257 1.00 51.21 O ATOM 183 CB ASN A 11 1.557 -8.834 -9.970 1.00 43.30 C ATOM 184 CG ASN A 11 1.629 -8.108 -11.320 1.00 52.03 C ATOM 185 OD1 ASN A 11 0.670 -7.480 -11.769 1.00 43.03 O ATOM 186 ND2 ASN A 11 2.777 -8.176 -11.971 1.00 33.34 N ATOM 0 H ASN A 11 -0.288 -7.324 -9.278 1.00 11.31 H new ATOM 0 HA ASN A 11 -0.226 -9.984 -10.399 1.00 43.41 H new ATOM 0 HB2 ASN A 11 1.907 -8.161 -9.188 1.00 43.30 H new ATOM 0 HB3 ASN A 11 2.240 -9.683 -9.989 1.00 43.30 H new ATOM 0 HD21 ASN A 11 2.884 -7.701 -12.868 1.00 33.34 H new ATOM 0 HD22 ASN A 11 3.556 -8.703 -11.577 1.00 33.34 H new ATOM 193 N ASP A 12 -0.293 -11.444 -8.432 1.00 10.51 N ATOM 194 CA ASP A 12 -0.316 -12.450 -7.341 1.00 3.23 C ATOM 195 C ASP A 12 1.094 -12.725 -6.794 1.00 51.32 C ATOM 196 O ASP A 12 1.279 -12.927 -5.583 1.00 41.53 O ATOM 197 CB ASP A 12 -0.930 -13.786 -7.850 1.00 33.00 C ATOM 198 CG ASP A 12 -2.362 -13.629 -8.391 1.00 41.11 C ATOM 199 OD1 ASP A 12 -2.535 -13.085 -9.500 1.00 12.33 O ATOM 200 OD2 ASP A 12 -3.324 -14.045 -7.715 1.00 51.02 O ATOM 0 H ASP A 12 -0.672 -11.802 -9.309 1.00 10.51 H new ATOM 0 HA ASP A 12 -0.928 -12.041 -6.537 1.00 3.23 H new ATOM 0 HB2 ASP A 12 -0.295 -14.194 -8.636 1.00 33.00 H new ATOM 0 HB3 ASP A 12 -0.934 -14.510 -7.035 1.00 33.00 H new ATOM 205 N GLU A 13 2.074 -12.736 -7.717 1.00 64.42 N ATOM 206 CA GLU A 13 3.492 -12.954 -7.404 1.00 61.52 C ATOM 207 C GLU A 13 4.021 -11.848 -6.477 1.00 41.41 C ATOM 208 O GLU A 13 4.674 -12.137 -5.479 1.00 21.44 O ATOM 209 CB GLU A 13 4.337 -13.009 -8.701 1.00 24.34 C ATOM 210 CG GLU A 13 3.997 -14.183 -9.638 1.00 54.12 C ATOM 211 CD GLU A 13 4.809 -14.152 -10.943 1.00 41.13 C ATOM 212 OE1 GLU A 13 6.029 -14.421 -10.898 1.00 54.42 O ATOM 213 OE2 GLU A 13 4.239 -13.836 -12.018 1.00 3.35 O ATOM 0 H GLU A 13 1.898 -12.592 -8.711 1.00 64.42 H new ATOM 0 HA GLU A 13 3.579 -13.911 -6.890 1.00 61.52 H new ATOM 0 HB2 GLU A 13 4.202 -12.075 -9.247 1.00 24.34 H new ATOM 0 HB3 GLU A 13 5.391 -13.071 -8.430 1.00 24.34 H new ATOM 0 HG2 GLU A 13 4.185 -15.123 -9.120 1.00 54.12 H new ATOM 0 HG3 GLU A 13 2.933 -14.157 -9.875 1.00 54.12 H new ATOM 220 N LEU A 14 3.682 -10.583 -6.795 1.00 30.23 N ATOM 221 CA LEU A 14 4.192 -9.412 -6.046 1.00 52.35 C ATOM 222 C LEU A 14 3.684 -9.393 -4.611 1.00 75.13 C ATOM 223 O LEU A 14 4.402 -8.943 -3.731 1.00 41.31 O ATOM 224 CB LEU A 14 3.878 -8.064 -6.758 1.00 5.20 C ATOM 225 CG LEU A 14 4.953 -7.598 -7.781 1.00 43.51 C ATOM 226 CD1 LEU A 14 6.320 -7.351 -7.082 1.00 21.14 C ATOM 227 CD2 LEU A 14 5.081 -8.598 -8.950 1.00 43.32 C ATOM 0 H LEU A 14 3.057 -10.344 -7.565 1.00 30.23 H new ATOM 0 HA LEU A 14 5.276 -9.520 -6.020 1.00 52.35 H new ATOM 0 HB2 LEU A 14 2.922 -8.156 -7.274 1.00 5.20 H new ATOM 0 HB3 LEU A 14 3.758 -7.289 -6.001 1.00 5.20 H new ATOM 0 HG LEU A 14 4.627 -6.647 -8.203 1.00 43.51 H new ATOM 0 HD11 LEU A 14 7.053 -7.026 -7.821 1.00 21.14 H new ATOM 0 HD12 LEU A 14 6.205 -6.579 -6.321 1.00 21.14 H new ATOM 0 HD13 LEU A 14 6.661 -8.274 -6.614 1.00 21.14 H new ATOM 0 HD21 LEU A 14 5.840 -8.246 -9.649 1.00 43.32 H new ATOM 0 HD22 LEU A 14 5.370 -9.575 -8.563 1.00 43.32 H new ATOM 0 HD23 LEU A 14 4.124 -8.680 -9.465 1.00 43.32 H new ATOM 239 N ILE A 15 2.456 -9.891 -4.396 1.00 34.23 N ATOM 240 CA ILE A 15 1.881 -10.020 -3.048 1.00 22.02 C ATOM 241 C ILE A 15 2.844 -10.823 -2.149 1.00 64.15 C ATOM 242 O ILE A 15 3.503 -10.255 -1.278 1.00 43.44 O ATOM 243 CB ILE A 15 0.471 -10.720 -3.096 1.00 74.21 C ATOM 244 CG1 ILE A 15 -0.508 -9.939 -4.026 1.00 1.15 C ATOM 245 CG2 ILE A 15 -0.127 -10.902 -1.678 1.00 5.11 C ATOM 246 CD1 ILE A 15 -1.850 -10.612 -4.229 1.00 44.35 C ATOM 0 H ILE A 15 1.840 -10.212 -5.143 1.00 34.23 H new ATOM 0 HA ILE A 15 1.745 -9.021 -2.633 1.00 22.02 H new ATOM 0 HB ILE A 15 0.613 -11.716 -3.516 1.00 74.21 H new ATOM 0 HG12 ILE A 15 -0.673 -8.946 -3.608 1.00 1.15 H new ATOM 0 HG13 ILE A 15 -0.034 -9.801 -4.998 1.00 1.15 H new ATOM 0 HG21 ILE A 15 -1.100 -11.388 -1.753 1.00 5.11 H new ATOM 0 HG22 ILE A 15 0.542 -11.519 -1.078 1.00 5.11 H new ATOM 0 HG23 ILE A 15 -0.244 -9.927 -1.205 1.00 5.11 H new ATOM 0 HD11 ILE A 15 -2.467 -10.001 -4.888 1.00 44.35 H new ATOM 0 HD12 ILE A 15 -1.700 -11.594 -4.678 1.00 44.35 H new ATOM 0 HD13 ILE A 15 -2.349 -10.726 -3.267 1.00 44.35 H new ATOM 258 N LYS A 16 3.008 -12.116 -2.491 1.00 13.00 N ATOM 259 CA LYS A 16 3.752 -13.093 -1.677 1.00 12.13 C ATOM 260 C LYS A 16 5.253 -12.746 -1.546 1.00 71.55 C ATOM 261 O LYS A 16 5.856 -12.991 -0.493 1.00 11.55 O ATOM 262 CB LYS A 16 3.547 -14.514 -2.260 1.00 13.23 C ATOM 263 CG LYS A 16 4.036 -14.703 -3.718 1.00 72.11 C ATOM 264 CD LYS A 16 3.580 -16.040 -4.347 1.00 11.10 C ATOM 265 CE LYS A 16 2.055 -16.146 -4.472 1.00 4.01 C ATOM 266 NZ LYS A 16 1.630 -17.430 -5.086 1.00 35.43 N ATOM 0 H LYS A 16 2.624 -12.514 -3.348 1.00 13.00 H new ATOM 0 HA LYS A 16 3.352 -13.058 -0.664 1.00 12.13 H new ATOM 0 HB2 LYS A 16 4.067 -15.230 -1.623 1.00 13.23 H new ATOM 0 HB3 LYS A 16 2.486 -14.759 -2.214 1.00 13.23 H new ATOM 0 HG2 LYS A 16 3.667 -13.878 -4.328 1.00 72.11 H new ATOM 0 HG3 LYS A 16 5.125 -14.652 -3.738 1.00 72.11 H new ATOM 0 HD2 LYS A 16 4.029 -16.144 -5.335 1.00 11.10 H new ATOM 0 HD3 LYS A 16 3.949 -16.867 -3.740 1.00 11.10 H new ATOM 0 HE2 LYS A 16 1.604 -16.051 -3.484 1.00 4.01 H new ATOM 0 HE3 LYS A 16 1.683 -15.317 -5.074 1.00 4.01 H new ATOM 0 HZ1 LYS A 16 0.592 -17.457 -5.150 1.00 35.43 H new ATOM 0 HZ2 LYS A 16 2.038 -17.511 -6.039 1.00 35.43 H new ATOM 0 HZ3 LYS A 16 1.961 -18.222 -4.499 1.00 35.43 H new ATOM 280 N LYS A 17 5.839 -12.161 -2.612 1.00 33.51 N ATOM 281 CA LYS A 17 7.260 -11.745 -2.630 1.00 54.20 C ATOM 282 C LYS A 17 7.508 -10.587 -1.638 1.00 52.45 C ATOM 283 O LYS A 17 8.394 -10.686 -0.780 1.00 31.15 O ATOM 284 CB LYS A 17 7.693 -11.356 -4.073 1.00 61.42 C ATOM 285 CG LYS A 17 7.771 -12.561 -5.045 1.00 51.01 C ATOM 286 CD LYS A 17 7.973 -12.151 -6.526 1.00 13.42 C ATOM 287 CE LYS A 17 9.273 -11.372 -6.780 1.00 72.33 C ATOM 288 NZ LYS A 17 9.483 -11.099 -8.231 1.00 20.32 N ATOM 0 H LYS A 17 5.344 -11.964 -3.482 1.00 33.51 H new ATOM 0 HA LYS A 17 7.871 -12.589 -2.309 1.00 54.20 H new ATOM 0 HB2 LYS A 17 6.988 -10.625 -4.470 1.00 61.42 H new ATOM 0 HB3 LYS A 17 8.668 -10.870 -4.032 1.00 61.42 H new ATOM 0 HG2 LYS A 17 8.592 -13.210 -4.741 1.00 51.01 H new ATOM 0 HG3 LYS A 17 6.855 -13.146 -4.960 1.00 51.01 H new ATOM 0 HD2 LYS A 17 7.970 -13.048 -7.146 1.00 13.42 H new ATOM 0 HD3 LYS A 17 7.127 -11.542 -6.844 1.00 13.42 H new ATOM 0 HE2 LYS A 17 9.244 -10.429 -6.234 1.00 72.33 H new ATOM 0 HE3 LYS A 17 10.118 -11.940 -6.391 1.00 72.33 H new ATOM 0 HZ1 LYS A 17 9.876 -10.143 -8.351 1.00 20.32 H new ATOM 0 HZ2 LYS A 17 10.146 -11.798 -8.623 1.00 20.32 H new ATOM 0 HZ3 LYS A 17 8.574 -11.165 -8.732 1.00 20.32 H new ATOM 302 N ILE A 18 6.668 -9.530 -1.735 1.00 3.40 N ATOM 303 CA ILE A 18 6.747 -8.337 -0.860 1.00 61.03 C ATOM 304 C ILE A 18 6.499 -8.729 0.617 1.00 11.50 C ATOM 305 O ILE A 18 7.151 -8.191 1.513 1.00 64.41 O ATOM 306 CB ILE A 18 5.729 -7.211 -1.327 1.00 52.11 C ATOM 307 CG1 ILE A 18 6.144 -6.629 -2.725 1.00 41.14 C ATOM 308 CG2 ILE A 18 5.590 -6.079 -0.283 1.00 13.24 C ATOM 309 CD1 ILE A 18 5.145 -5.664 -3.359 1.00 20.02 C ATOM 0 H ILE A 18 5.916 -9.480 -2.423 1.00 3.40 H new ATOM 0 HA ILE A 18 7.753 -7.926 -0.942 1.00 61.03 H new ATOM 0 HB ILE A 18 4.751 -7.683 -1.422 1.00 52.11 H new ATOM 0 HG12 ILE A 18 7.099 -6.116 -2.616 1.00 41.14 H new ATOM 0 HG13 ILE A 18 6.305 -7.460 -3.412 1.00 41.14 H new ATOM 0 HG21 ILE A 18 4.884 -5.333 -0.647 1.00 13.24 H new ATOM 0 HG22 ILE A 18 5.227 -6.494 0.657 1.00 13.24 H new ATOM 0 HG23 ILE A 18 6.561 -5.611 -0.122 1.00 13.24 H new ATOM 0 HD11 ILE A 18 5.529 -5.322 -4.320 1.00 20.02 H new ATOM 0 HD12 ILE A 18 4.193 -6.173 -3.509 1.00 20.02 H new ATOM 0 HD13 ILE A 18 4.999 -4.807 -2.701 1.00 20.02 H new ATOM 321 N LYS A 19 5.591 -9.713 0.844 1.00 23.35 N ATOM 322 CA LYS A 19 5.259 -10.212 2.200 1.00 72.24 C ATOM 323 C LYS A 19 6.520 -10.667 2.955 1.00 33.13 C ATOM 324 O LYS A 19 6.719 -10.297 4.108 1.00 5.03 O ATOM 325 CB LYS A 19 4.225 -11.377 2.144 1.00 54.33 C ATOM 326 CG LYS A 19 2.840 -10.966 1.624 1.00 34.33 C ATOM 327 CD LYS A 19 1.830 -12.133 1.538 1.00 1.44 C ATOM 328 CE LYS A 19 1.337 -12.619 2.910 1.00 5.41 C ATOM 329 NZ LYS A 19 0.292 -13.675 2.780 1.00 61.54 N ATOM 0 H LYS A 19 5.074 -10.178 0.098 1.00 23.35 H new ATOM 0 HA LYS A 19 4.811 -9.379 2.742 1.00 72.24 H new ATOM 0 HB2 LYS A 19 4.620 -12.168 1.506 1.00 54.33 H new ATOM 0 HB3 LYS A 19 4.115 -11.798 3.143 1.00 54.33 H new ATOM 0 HG2 LYS A 19 2.433 -10.194 2.276 1.00 34.33 H new ATOM 0 HG3 LYS A 19 2.952 -10.522 0.635 1.00 34.33 H new ATOM 0 HD2 LYS A 19 0.973 -11.818 0.943 1.00 1.44 H new ATOM 0 HD3 LYS A 19 2.294 -12.967 1.011 1.00 1.44 H new ATOM 0 HE2 LYS A 19 2.179 -13.009 3.482 1.00 5.41 H new ATOM 0 HE3 LYS A 19 0.934 -11.776 3.471 1.00 5.41 H new ATOM 0 HZ1 LYS A 19 -0.016 -13.977 3.726 1.00 61.54 H new ATOM 0 HZ2 LYS A 19 -0.522 -13.295 2.256 1.00 61.54 H new ATOM 0 HZ3 LYS A 19 0.684 -14.490 2.267 1.00 61.54 H new ATOM 343 N LYS A 20 7.375 -11.441 2.270 1.00 30.45 N ATOM 344 CA LYS A 20 8.586 -12.025 2.876 1.00 11.35 C ATOM 345 C LYS A 20 9.686 -10.953 3.042 1.00 74.33 C ATOM 346 O LYS A 20 10.380 -10.918 4.073 1.00 41.30 O ATOM 347 CB LYS A 20 9.092 -13.208 2.007 1.00 22.10 C ATOM 348 CG LYS A 20 8.006 -14.243 1.614 1.00 1.14 C ATOM 349 CD LYS A 20 7.263 -14.889 2.809 1.00 52.32 C ATOM 350 CE LYS A 20 8.166 -15.789 3.663 1.00 42.22 C ATOM 351 NZ LYS A 20 8.773 -16.903 2.877 1.00 73.31 N ATOM 0 H LYS A 20 7.250 -11.680 1.286 1.00 30.45 H new ATOM 0 HA LYS A 20 8.337 -12.402 3.868 1.00 11.35 H new ATOM 0 HB2 LYS A 20 9.536 -12.806 1.096 1.00 22.10 H new ATOM 0 HB3 LYS A 20 9.885 -13.724 2.548 1.00 22.10 H new ATOM 0 HG2 LYS A 20 7.274 -13.755 0.970 1.00 1.14 H new ATOM 0 HG3 LYS A 20 8.472 -15.032 1.025 1.00 1.14 H new ATOM 0 HD2 LYS A 20 6.845 -14.103 3.437 1.00 52.32 H new ATOM 0 HD3 LYS A 20 6.425 -15.476 2.434 1.00 52.32 H new ATOM 0 HE2 LYS A 20 8.960 -15.187 4.105 1.00 42.22 H new ATOM 0 HE3 LYS A 20 7.585 -16.204 4.486 1.00 42.22 H new ATOM 0 HZ1 LYS A 20 9.218 -17.583 3.526 1.00 73.31 H new ATOM 0 HZ2 LYS A 20 8.033 -17.383 2.326 1.00 73.31 H new ATOM 0 HZ3 LYS A 20 9.492 -16.520 2.230 1.00 73.31 H new ATOM 365 N GLU A 21 9.827 -10.108 1.996 1.00 41.14 N ATOM 366 CA GLU A 21 10.731 -8.928 1.992 1.00 54.53 C ATOM 367 C GLU A 21 10.591 -8.089 3.279 1.00 52.32 C ATOM 368 O GLU A 21 11.567 -7.855 4.004 1.00 1.11 O ATOM 369 CB GLU A 21 10.416 -8.019 0.767 1.00 63.42 C ATOM 370 CG GLU A 21 10.782 -8.595 -0.614 1.00 12.23 C ATOM 371 CD GLU A 21 12.296 -8.693 -0.850 1.00 45.10 C ATOM 372 OE1 GLU A 21 12.931 -7.646 -1.085 1.00 12.42 O ATOM 373 OE2 GLU A 21 12.860 -9.808 -0.782 1.00 23.22 O ATOM 0 H GLU A 21 9.314 -10.224 1.122 1.00 41.14 H new ATOM 0 HA GLU A 21 11.752 -9.306 1.935 1.00 54.53 H new ATOM 0 HB2 GLU A 21 9.350 -7.792 0.773 1.00 63.42 H new ATOM 0 HB3 GLU A 21 10.944 -7.074 0.896 1.00 63.42 H new ATOM 0 HG2 GLU A 21 10.341 -9.587 -0.715 1.00 12.23 H new ATOM 0 HG3 GLU A 21 10.340 -7.969 -1.390 1.00 12.23 H new ATOM 380 N VAL A 22 9.344 -7.700 3.566 1.00 54.35 N ATOM 381 CA VAL A 22 9.017 -6.741 4.632 1.00 62.55 C ATOM 382 C VAL A 22 8.892 -7.429 5.997 1.00 40.21 C ATOM 383 O VAL A 22 9.087 -6.791 7.033 1.00 44.34 O ATOM 384 CB VAL A 22 7.717 -5.946 4.272 1.00 12.34 C ATOM 385 CG1 VAL A 22 7.863 -5.330 2.864 1.00 63.32 C ATOM 386 CG2 VAL A 22 6.440 -6.813 4.374 1.00 62.21 C ATOM 0 H VAL A 22 8.526 -8.043 3.063 1.00 54.35 H new ATOM 0 HA VAL A 22 9.841 -6.032 4.709 1.00 62.55 H new ATOM 0 HB VAL A 22 7.599 -5.149 5.006 1.00 12.34 H new ATOM 0 HG11 VAL A 22 6.958 -4.777 2.613 1.00 63.32 H new ATOM 0 HG12 VAL A 22 8.718 -4.654 2.850 1.00 63.32 H new ATOM 0 HG13 VAL A 22 8.017 -6.124 2.133 1.00 63.32 H new ATOM 0 HG21 VAL A 22 5.570 -6.211 4.114 1.00 62.21 H new ATOM 0 HG22 VAL A 22 6.517 -7.656 3.687 1.00 62.21 H new ATOM 0 HG23 VAL A 22 6.333 -7.184 5.393 1.00 62.21 H new ATOM 396 N GLU A 23 8.588 -8.742 5.979 1.00 2.04 N ATOM 397 CA GLU A 23 8.551 -9.593 7.190 1.00 75.12 C ATOM 398 C GLU A 23 9.930 -9.587 7.883 1.00 53.45 C ATOM 399 O GLU A 23 10.027 -9.471 9.110 1.00 64.34 O ATOM 400 CB GLU A 23 8.140 -11.035 6.788 1.00 32.40 C ATOM 401 CG GLU A 23 8.047 -12.050 7.939 1.00 42.21 C ATOM 402 CD GLU A 23 7.653 -13.455 7.458 1.00 1.32 C ATOM 403 OE1 GLU A 23 8.506 -14.146 6.863 1.00 35.21 O ATOM 404 OE2 GLU A 23 6.493 -13.876 7.664 1.00 52.52 O ATOM 0 H GLU A 23 8.360 -9.246 5.122 1.00 2.04 H new ATOM 0 HA GLU A 23 7.818 -9.200 7.894 1.00 75.12 H new ATOM 0 HB2 GLU A 23 7.172 -10.991 6.289 1.00 32.40 H new ATOM 0 HB3 GLU A 23 8.859 -11.407 6.058 1.00 32.40 H new ATOM 0 HG2 GLU A 23 9.008 -12.102 8.451 1.00 42.21 H new ATOM 0 HG3 GLU A 23 7.315 -11.701 8.668 1.00 42.21 H new ATOM 411 N ASN A 24 10.985 -9.656 7.050 1.00 74.10 N ATOM 412 CA ASN A 24 12.394 -9.602 7.496 1.00 72.41 C ATOM 413 C ASN A 24 12.755 -8.202 8.040 1.00 74.24 C ATOM 414 O ASN A 24 13.610 -8.069 8.916 1.00 12.54 O ATOM 415 CB ASN A 24 13.347 -9.985 6.324 1.00 13.50 C ATOM 416 CG ASN A 24 13.197 -11.441 5.856 1.00 31.24 C ATOM 417 OD1 ASN A 24 12.887 -12.339 6.644 1.00 54.01 O ATOM 418 ND2 ASN A 24 13.411 -11.688 4.572 1.00 24.33 N ATOM 0 H ASN A 24 10.885 -9.752 6.039 1.00 74.10 H new ATOM 0 HA ASN A 24 12.518 -10.322 8.305 1.00 72.41 H new ATOM 0 HB2 ASN A 24 13.157 -9.320 5.481 1.00 13.50 H new ATOM 0 HB3 ASN A 24 14.378 -9.817 6.636 1.00 13.50 H new ATOM 0 HD21 ASN A 24 13.321 -12.639 4.214 1.00 24.33 H new ATOM 0 HD22 ASN A 24 13.666 -10.927 3.942 1.00 24.33 H new ATOM 425 N GLN A 25 12.076 -7.166 7.518 1.00 64.11 N ATOM 426 CA GLN A 25 12.316 -5.755 7.895 1.00 64.35 C ATOM 427 C GLN A 25 11.453 -5.308 9.096 1.00 52.32 C ATOM 428 O GLN A 25 11.551 -4.153 9.516 1.00 35.23 O ATOM 429 CB GLN A 25 12.051 -4.843 6.663 1.00 54.32 C ATOM 430 CG GLN A 25 12.954 -5.131 5.445 1.00 12.01 C ATOM 431 CD GLN A 25 14.455 -4.911 5.678 1.00 1.21 C ATOM 432 OE1 GLN A 25 15.291 -5.606 5.096 1.00 35.53 O ATOM 433 NE2 GLN A 25 14.820 -3.923 6.484 1.00 13.31 N ATOM 0 H GLN A 25 11.341 -7.280 6.820 1.00 64.11 H new ATOM 0 HA GLN A 25 13.356 -5.664 8.209 1.00 64.35 H new ATOM 0 HB2 GLN A 25 11.010 -4.955 6.361 1.00 54.32 H new ATOM 0 HB3 GLN A 25 12.186 -3.803 6.961 1.00 54.32 H new ATOM 0 HG2 GLN A 25 12.798 -6.164 5.134 1.00 12.01 H new ATOM 0 HG3 GLN A 25 12.634 -4.497 4.618 1.00 12.01 H new ATOM 0 HE21 GLN A 25 14.111 -3.361 6.955 1.00 13.31 H new ATOM 0 HE22 GLN A 25 15.810 -3.725 6.633 1.00 13.31 H new ATOM 442 N GLY A 26 10.633 -6.222 9.661 1.00 73.04 N ATOM 443 CA GLY A 26 9.796 -5.902 10.833 1.00 33.31 C ATOM 444 C GLY A 26 8.490 -5.174 10.509 1.00 23.53 C ATOM 445 O GLY A 26 7.872 -4.572 11.399 1.00 33.40 O ATOM 0 H GLY A 26 10.535 -7.180 9.325 1.00 73.04 H new ATOM 0 HA2 GLY A 26 9.559 -6.828 11.356 1.00 33.31 H new ATOM 0 HA3 GLY A 26 10.377 -5.287 11.520 1.00 33.31 H new ATOM 449 N TYR A 27 8.073 -5.224 9.242 1.00 61.14 N ATOM 450 CA TYR A 27 6.798 -4.646 8.777 1.00 42.31 C ATOM 451 C TYR A 27 5.767 -5.779 8.675 1.00 11.51 C ATOM 452 O TYR A 27 5.758 -6.542 7.699 1.00 11.04 O ATOM 453 CB TYR A 27 6.973 -3.901 7.417 1.00 14.30 C ATOM 454 CG TYR A 27 7.789 -2.596 7.511 1.00 4.34 C ATOM 455 CD1 TYR A 27 9.151 -2.624 7.810 1.00 14.11 C ATOM 456 CD2 TYR A 27 7.190 -1.339 7.344 1.00 10.00 C ATOM 457 CE1 TYR A 27 9.888 -1.464 7.932 1.00 41.51 C ATOM 458 CE2 TYR A 27 7.928 -0.170 7.472 1.00 42.21 C ATOM 459 CZ TYR A 27 9.275 -0.242 7.769 1.00 21.21 C ATOM 460 OH TYR A 27 10.011 0.918 7.909 1.00 31.33 O ATOM 0 H TYR A 27 8.611 -5.669 8.499 1.00 61.14 H new ATOM 0 HA TYR A 27 6.449 -3.899 9.490 1.00 42.31 H new ATOM 0 HB2 TYR A 27 7.461 -4.571 6.709 1.00 14.30 H new ATOM 0 HB3 TYR A 27 5.987 -3.672 7.012 1.00 14.30 H new ATOM 0 HD1 TYR A 27 9.641 -3.577 7.949 1.00 14.11 H new ATOM 0 HD2 TYR A 27 6.137 -1.279 7.112 1.00 10.00 H new ATOM 0 HE1 TYR A 27 10.944 -1.514 8.155 1.00 41.51 H new ATOM 0 HE2 TYR A 27 7.452 0.790 7.340 1.00 42.21 H new ATOM 0 HH TYR A 27 10.710 0.947 7.222 1.00 31.33 H new ATOM 470 N GLN A 28 4.939 -5.903 9.729 1.00 50.14 N ATOM 471 CA GLN A 28 3.906 -6.942 9.842 1.00 34.32 C ATOM 472 C GLN A 28 2.875 -6.799 8.703 1.00 71.24 C ATOM 473 O GLN A 28 2.229 -5.754 8.561 1.00 64.43 O ATOM 474 CB GLN A 28 3.205 -6.883 11.233 1.00 54.23 C ATOM 475 CG GLN A 28 4.056 -7.362 12.440 1.00 51.41 C ATOM 476 CD GLN A 28 5.243 -6.469 12.816 1.00 63.23 C ATOM 477 OE1 GLN A 28 5.096 -5.150 12.689 1.00 14.12 O flip ATOM 478 NE2 GLN A 28 6.280 -6.960 13.269 1.00 41.24 N flip ATOM 0 H GLN A 28 4.971 -5.276 10.533 1.00 50.14 H new ATOM 0 HA GLN A 28 4.388 -7.915 9.752 1.00 34.32 H new ATOM 0 HB2 GLN A 28 2.893 -5.855 11.418 1.00 54.23 H new ATOM 0 HB3 GLN A 28 2.299 -7.488 11.188 1.00 54.23 H new ATOM 0 HG2 GLN A 28 3.403 -7.451 13.308 1.00 51.41 H new ATOM 0 HG3 GLN A 28 4.432 -8.361 12.221 1.00 51.41 H new ATOM 0 HE21 GLN A 28 6.369 -7.972 13.357 1.00 41.24 H new ATOM 0 HE22 GLN A 28 7.048 -6.354 13.556 1.00 41.24 H new ATOM 487 N VAL A 29 2.765 -7.859 7.894 1.00 74.51 N ATOM 488 CA VAL A 29 1.885 -7.912 6.726 1.00 1.13 C ATOM 489 C VAL A 29 0.422 -8.101 7.162 1.00 13.13 C ATOM 490 O VAL A 29 0.122 -8.947 8.012 1.00 42.24 O ATOM 491 CB VAL A 29 2.276 -9.097 5.764 1.00 50.23 C ATOM 492 CG1 VAL A 29 1.433 -9.069 4.466 1.00 13.44 C ATOM 493 CG2 VAL A 29 3.788 -9.090 5.460 1.00 53.12 C ATOM 0 H VAL A 29 3.296 -8.718 8.037 1.00 74.51 H new ATOM 0 HA VAL A 29 1.999 -6.967 6.195 1.00 1.13 H new ATOM 0 HB VAL A 29 2.050 -10.032 6.277 1.00 50.23 H new ATOM 0 HG11 VAL A 29 1.727 -9.899 3.823 1.00 13.44 H new ATOM 0 HG12 VAL A 29 0.376 -9.160 4.717 1.00 13.44 H new ATOM 0 HG13 VAL A 29 1.602 -8.128 3.943 1.00 13.44 H new ATOM 0 HG21 VAL A 29 4.029 -9.919 4.794 1.00 53.12 H new ATOM 0 HG22 VAL A 29 4.058 -8.149 4.981 1.00 53.12 H new ATOM 0 HG23 VAL A 29 4.347 -9.198 6.390 1.00 53.12 H new ATOM 503 N ARG A 30 -0.461 -7.276 6.595 1.00 15.11 N ATOM 504 CA ARG A 30 -1.917 -7.453 6.636 1.00 22.25 C ATOM 505 C ARG A 30 -2.421 -7.352 5.191 1.00 30.04 C ATOM 506 O ARG A 30 -2.061 -6.411 4.482 1.00 1.15 O ATOM 507 CB ARG A 30 -2.585 -6.355 7.509 1.00 73.44 C ATOM 508 CG ARG A 30 -2.117 -6.325 8.980 1.00 75.15 C ATOM 509 CD ARG A 30 -2.461 -7.606 9.763 1.00 40.20 C ATOM 510 NE ARG A 30 -1.995 -7.536 11.164 1.00 61.01 N ATOM 511 CZ ARG A 30 -2.650 -6.936 12.169 1.00 24.32 C ATOM 512 NH1 ARG A 30 -3.818 -6.332 11.979 1.00 60.05 N ATOM 513 NH2 ARG A 30 -2.126 -6.946 13.386 1.00 73.41 N ATOM 0 H ARG A 30 -0.177 -6.443 6.080 1.00 15.11 H new ATOM 0 HA ARG A 30 -2.169 -8.417 7.077 1.00 22.25 H new ATOM 0 HB2 ARG A 30 -2.387 -5.382 7.059 1.00 73.44 H new ATOM 0 HB3 ARG A 30 -3.665 -6.501 7.489 1.00 73.44 H new ATOM 0 HG2 ARG A 30 -1.038 -6.172 9.006 1.00 75.15 H new ATOM 0 HG3 ARG A 30 -2.572 -5.470 9.480 1.00 75.15 H new ATOM 0 HD2 ARG A 30 -3.539 -7.763 9.746 1.00 40.20 H new ATOM 0 HD3 ARG A 30 -2.006 -8.466 9.271 1.00 40.20 H new ATOM 0 HE ARG A 30 -1.103 -7.980 11.384 1.00 61.01 H new ATOM 0 HH11 ARG A 30 -4.239 -6.317 11.050 1.00 60.05 H new ATOM 0 HH12 ARG A 30 -4.294 -5.884 12.762 1.00 60.05 H new ATOM 0 HH21 ARG A 30 -1.232 -7.407 13.552 1.00 73.41 H new ATOM 0 HH22 ARG A 30 -2.617 -6.492 14.156 1.00 73.41 H new ATOM 527 N ASP A 31 -3.232 -8.322 4.758 1.00 1.31 N ATOM 528 CA ASP A 31 -3.816 -8.332 3.399 1.00 13.24 C ATOM 529 C ASP A 31 -5.344 -8.384 3.518 1.00 64.12 C ATOM 530 O ASP A 31 -5.887 -9.115 4.352 1.00 5.13 O ATOM 531 CB ASP A 31 -3.262 -9.517 2.553 1.00 61.41 C ATOM 532 CG ASP A 31 -3.732 -10.910 3.012 1.00 42.22 C ATOM 533 OD1 ASP A 31 -3.275 -11.387 4.077 1.00 73.00 O ATOM 534 OD2 ASP A 31 -4.548 -11.548 2.297 1.00 42.21 O ATOM 0 H ASP A 31 -3.505 -9.121 5.330 1.00 1.31 H new ATOM 0 HA ASP A 31 -3.531 -7.420 2.874 1.00 13.24 H new ATOM 0 HB2 ASP A 31 -3.557 -9.373 1.514 1.00 61.41 H new ATOM 0 HB3 ASP A 31 -2.173 -9.488 2.582 1.00 61.41 H new ATOM 539 N VAL A 32 -6.027 -7.584 2.696 1.00 15.44 N ATOM 540 CA VAL A 32 -7.482 -7.411 2.734 1.00 23.54 C ATOM 541 C VAL A 32 -8.042 -7.659 1.329 1.00 20.45 C ATOM 542 O VAL A 32 -7.673 -6.958 0.376 1.00 73.42 O ATOM 543 CB VAL A 32 -7.867 -5.960 3.223 1.00 1.54 C ATOM 544 CG1 VAL A 32 -9.384 -5.719 3.127 1.00 74.12 C ATOM 545 CG2 VAL A 32 -7.349 -5.673 4.659 1.00 41.11 C ATOM 0 H VAL A 32 -5.576 -7.027 1.971 1.00 15.44 H new ATOM 0 HA VAL A 32 -7.909 -8.124 3.439 1.00 23.54 H new ATOM 0 HB VAL A 32 -7.371 -5.258 2.552 1.00 1.54 H new ATOM 0 HG11 VAL A 32 -9.615 -4.711 3.471 1.00 74.12 H new ATOM 0 HG12 VAL A 32 -9.705 -5.831 2.092 1.00 74.12 H new ATOM 0 HG13 VAL A 32 -9.908 -6.444 3.750 1.00 74.12 H new ATOM 0 HG21 VAL A 32 -7.636 -4.664 4.955 1.00 41.11 H new ATOM 0 HG22 VAL A 32 -7.784 -6.392 5.353 1.00 41.11 H new ATOM 0 HG23 VAL A 32 -6.263 -5.761 4.678 1.00 41.11 H new ATOM 555 N ASN A 33 -8.912 -8.671 1.209 1.00 21.21 N ATOM 556 CA ASN A 33 -9.560 -9.048 -0.068 1.00 14.45 C ATOM 557 C ASN A 33 -11.091 -8.941 0.046 1.00 42.44 C ATOM 558 O ASN A 33 -11.818 -9.332 -0.875 1.00 64.53 O ATOM 559 CB ASN A 33 -9.137 -10.488 -0.473 1.00 73.42 C ATOM 560 CG ASN A 33 -7.626 -10.625 -0.699 1.00 53.22 C ATOM 561 OD1 ASN A 33 -7.127 -10.438 -1.816 1.00 52.54 O ATOM 562 ND2 ASN A 33 -6.888 -10.953 0.356 1.00 52.11 N ATOM 0 H ASN A 33 -9.192 -9.258 1.995 1.00 21.21 H new ATOM 0 HA ASN A 33 -9.233 -8.356 -0.844 1.00 14.45 H new ATOM 0 HB2 ASN A 33 -9.447 -11.185 0.305 1.00 73.42 H new ATOM 0 HB3 ASN A 33 -9.663 -10.773 -1.384 1.00 73.42 H new ATOM 0 HD21 ASN A 33 -5.878 -11.058 0.259 1.00 52.11 H new ATOM 0 HD22 ASN A 33 -7.331 -11.100 1.263 1.00 52.11 H new ATOM 569 N ASP A 34 -11.577 -8.391 1.177 1.00 72.43 N ATOM 570 CA ASP A 34 -13.024 -8.217 1.432 1.00 4.01 C ATOM 571 C ASP A 34 -13.294 -6.930 2.250 1.00 0.31 C ATOM 572 O ASP A 34 -12.524 -6.597 3.162 1.00 14.33 O ATOM 573 CB ASP A 34 -13.578 -9.471 2.157 1.00 42.11 C ATOM 574 CG ASP A 34 -15.085 -9.391 2.446 1.00 50.31 C ATOM 575 OD1 ASP A 34 -15.891 -9.709 1.550 1.00 44.02 O ATOM 576 OD2 ASP A 34 -15.470 -9.008 3.560 1.00 41.53 O ATOM 0 H ASP A 34 -10.983 -8.056 1.936 1.00 72.43 H new ATOM 0 HA ASP A 34 -13.541 -8.107 0.479 1.00 4.01 H new ATOM 0 HB2 ASP A 34 -13.379 -10.352 1.547 1.00 42.11 H new ATOM 0 HB3 ASP A 34 -13.042 -9.605 3.096 1.00 42.11 H new ATOM 581 N SER A 35 -14.398 -6.227 1.901 1.00 25.42 N ATOM 582 CA SER A 35 -14.800 -4.939 2.517 1.00 2.32 C ATOM 583 C SER A 35 -14.962 -5.025 4.048 1.00 32.24 C ATOM 584 O SER A 35 -14.527 -4.120 4.773 1.00 31.53 O ATOM 585 CB SER A 35 -16.118 -4.446 1.873 1.00 51.53 C ATOM 586 OG SER A 35 -16.019 -4.401 0.456 1.00 73.12 O ATOM 0 H SER A 35 -15.042 -6.542 1.175 1.00 25.42 H new ATOM 0 HA SER A 35 -13.995 -4.228 2.328 1.00 2.32 H new ATOM 0 HB2 SER A 35 -16.935 -5.108 2.161 1.00 51.53 H new ATOM 0 HB3 SER A 35 -16.362 -3.454 2.254 1.00 51.53 H new ATOM 0 HG SER A 35 -16.867 -4.088 0.079 1.00 73.12 H new ATOM 592 N ASP A 36 -15.585 -6.117 4.533 1.00 64.25 N ATOM 593 CA ASP A 36 -15.797 -6.327 5.979 1.00 23.43 C ATOM 594 C ASP A 36 -14.441 -6.416 6.713 1.00 32.50 C ATOM 595 O ASP A 36 -14.262 -5.787 7.754 1.00 72.25 O ATOM 596 CB ASP A 36 -16.650 -7.589 6.260 1.00 53.45 C ATOM 597 CG ASP A 36 -18.054 -7.524 5.639 1.00 12.13 C ATOM 598 OD1 ASP A 36 -18.212 -7.884 4.459 1.00 32.54 O ATOM 599 OD2 ASP A 36 -19.003 -7.085 6.317 1.00 15.53 O ATOM 0 H ASP A 36 -15.950 -6.867 3.945 1.00 64.25 H new ATOM 0 HA ASP A 36 -16.351 -5.468 6.359 1.00 23.43 H new ATOM 0 HB2 ASP A 36 -16.129 -8.465 5.873 1.00 53.45 H new ATOM 0 HB3 ASP A 36 -16.743 -7.724 7.338 1.00 53.45 H new ATOM 604 N GLU A 37 -13.473 -7.135 6.093 1.00 24.12 N ATOM 605 CA GLU A 37 -12.106 -7.303 6.643 1.00 24.35 C ATOM 606 C GLU A 37 -11.404 -5.944 6.772 1.00 54.24 C ATOM 607 O GLU A 37 -10.685 -5.705 7.737 1.00 35.15 O ATOM 608 CB GLU A 37 -11.229 -8.207 5.743 1.00 41.21 C ATOM 609 CG GLU A 37 -11.786 -9.609 5.472 1.00 54.30 C ATOM 610 CD GLU A 37 -10.784 -10.470 4.693 1.00 60.44 C ATOM 611 OE1 GLU A 37 -10.469 -10.121 3.531 1.00 72.14 O ATOM 612 OE2 GLU A 37 -10.263 -11.464 5.249 1.00 63.31 O ATOM 0 H GLU A 37 -13.617 -7.612 5.203 1.00 24.12 H new ATOM 0 HA GLU A 37 -12.221 -7.770 7.621 1.00 24.35 H new ATOM 0 HB2 GLU A 37 -11.080 -7.704 4.788 1.00 41.21 H new ATOM 0 HB3 GLU A 37 -10.248 -8.308 6.206 1.00 41.21 H new ATOM 0 HG2 GLU A 37 -12.027 -10.095 6.417 1.00 54.30 H new ATOM 0 HG3 GLU A 37 -12.715 -9.530 4.908 1.00 54.30 H new ATOM 619 N LEU A 38 -11.627 -5.082 5.762 1.00 53.14 N ATOM 620 CA LEU A 38 -11.059 -3.723 5.696 1.00 64.30 C ATOM 621 C LEU A 38 -11.460 -2.893 6.907 1.00 25.40 C ATOM 622 O LEU A 38 -10.608 -2.305 7.583 1.00 13.44 O ATOM 623 CB LEU A 38 -11.538 -3.038 4.385 1.00 1.51 C ATOM 624 CG LEU A 38 -11.118 -1.536 4.141 1.00 53.41 C ATOM 625 CD1 LEU A 38 -10.901 -1.286 2.654 1.00 35.05 C ATOM 626 CD2 LEU A 38 -12.151 -0.508 4.690 1.00 50.43 C ATOM 0 H LEU A 38 -12.213 -5.313 4.960 1.00 53.14 H new ATOM 0 HA LEU A 38 -9.971 -3.796 5.699 1.00 64.30 H new ATOM 0 HB2 LEU A 38 -11.171 -3.629 3.546 1.00 1.51 H new ATOM 0 HB3 LEU A 38 -12.626 -3.089 4.359 1.00 1.51 H new ATOM 0 HG LEU A 38 -10.191 -1.386 4.694 1.00 53.41 H new ATOM 0 HD11 LEU A 38 -10.612 -0.247 2.498 1.00 35.05 H new ATOM 0 HD12 LEU A 38 -10.112 -1.941 2.286 1.00 35.05 H new ATOM 0 HD13 LEU A 38 -11.824 -1.491 2.112 1.00 35.05 H new ATOM 0 HD21 LEU A 38 -11.800 0.504 4.489 1.00 50.43 H new ATOM 0 HD22 LEU A 38 -13.113 -0.662 4.201 1.00 50.43 H new ATOM 0 HD23 LEU A 38 -12.265 -0.645 5.765 1.00 50.43 H new ATOM 638 N LYS A 39 -12.778 -2.861 7.157 1.00 74.43 N ATOM 639 CA LYS A 39 -13.364 -2.022 8.205 1.00 41.25 C ATOM 640 C LYS A 39 -12.976 -2.565 9.594 1.00 43.44 C ATOM 641 O LYS A 39 -12.676 -1.787 10.491 1.00 53.44 O ATOM 642 CB LYS A 39 -14.904 -1.918 8.002 1.00 71.35 C ATOM 643 CG LYS A 39 -15.302 -1.556 6.544 1.00 32.15 C ATOM 644 CD LYS A 39 -16.821 -1.343 6.319 1.00 41.23 C ATOM 645 CE LYS A 39 -17.295 0.076 6.661 1.00 45.01 C ATOM 646 NZ LYS A 39 -16.611 1.101 5.821 1.00 73.12 N ATOM 0 H LYS A 39 -13.461 -3.414 6.640 1.00 74.43 H new ATOM 0 HA LYS A 39 -12.966 -1.009 8.140 1.00 41.25 H new ATOM 0 HB2 LYS A 39 -15.365 -2.867 8.273 1.00 71.35 H new ATOM 0 HB3 LYS A 39 -15.304 -1.164 8.680 1.00 71.35 H new ATOM 0 HG2 LYS A 39 -14.775 -0.647 6.253 1.00 32.15 H new ATOM 0 HG3 LYS A 39 -14.958 -2.350 5.881 1.00 32.15 H new ATOM 0 HD2 LYS A 39 -17.060 -1.557 5.277 1.00 41.23 H new ATOM 0 HD3 LYS A 39 -17.375 -2.059 6.926 1.00 41.23 H new ATOM 0 HE2 LYS A 39 -18.373 0.145 6.515 1.00 45.01 H new ATOM 0 HE3 LYS A 39 -17.103 0.281 7.714 1.00 45.01 H new ATOM 0 HZ1 LYS A 39 -17.209 1.949 5.753 1.00 73.12 H new ATOM 0 HZ2 LYS A 39 -15.700 1.353 6.254 1.00 73.12 H new ATOM 0 HZ3 LYS A 39 -16.447 0.716 4.869 1.00 73.12 H new ATOM 660 N LYS A 40 -12.910 -3.915 9.723 1.00 20.42 N ATOM 661 CA LYS A 40 -12.440 -4.594 10.957 1.00 42.02 C ATOM 662 C LYS A 40 -10.971 -4.226 11.257 1.00 44.32 C ATOM 663 O LYS A 40 -10.627 -3.911 12.399 1.00 13.33 O ATOM 664 CB LYS A 40 -12.573 -6.142 10.829 1.00 63.43 C ATOM 665 CG LYS A 40 -14.018 -6.662 10.678 1.00 21.42 C ATOM 666 CD LYS A 40 -14.903 -6.376 11.912 1.00 32.12 C ATOM 667 CE LYS A 40 -16.375 -6.767 11.691 1.00 53.22 C ATOM 668 NZ LYS A 40 -16.546 -8.217 11.404 1.00 24.14 N ATOM 0 H LYS A 40 -13.179 -4.559 8.979 1.00 20.42 H new ATOM 0 HA LYS A 40 -13.069 -4.254 11.780 1.00 42.02 H new ATOM 0 HB2 LYS A 40 -11.992 -6.471 9.967 1.00 63.43 H new ATOM 0 HB3 LYS A 40 -12.127 -6.604 11.710 1.00 63.43 H new ATOM 0 HG2 LYS A 40 -14.472 -6.203 9.800 1.00 21.42 H new ATOM 0 HG3 LYS A 40 -13.993 -7.737 10.499 1.00 21.42 H new ATOM 0 HD2 LYS A 40 -14.511 -6.923 12.770 1.00 32.12 H new ATOM 0 HD3 LYS A 40 -14.846 -5.315 12.157 1.00 32.12 H new ATOM 0 HE2 LYS A 40 -16.953 -6.505 12.577 1.00 53.22 H new ATOM 0 HE3 LYS A 40 -16.781 -6.186 10.863 1.00 53.22 H new ATOM 0 HZ1 LYS A 40 -17.556 -8.430 11.280 1.00 24.14 H new ATOM 0 HZ2 LYS A 40 -16.032 -8.462 10.534 1.00 24.14 H new ATOM 0 HZ3 LYS A 40 -16.170 -8.775 12.197 1.00 24.14 H new ATOM 682 N GLU A 41 -10.139 -4.243 10.196 1.00 51.51 N ATOM 683 CA GLU A 41 -8.696 -3.944 10.270 1.00 3.52 C ATOM 684 C GLU A 41 -8.472 -2.508 10.771 1.00 73.15 C ATOM 685 O GLU A 41 -7.707 -2.281 11.708 1.00 14.55 O ATOM 686 CB GLU A 41 -8.054 -4.144 8.863 1.00 51.12 C ATOM 687 CG GLU A 41 -6.541 -3.853 8.763 1.00 41.12 C ATOM 688 CD GLU A 41 -5.685 -4.689 9.737 1.00 13.41 C ATOM 689 OE1 GLU A 41 -5.555 -5.917 9.532 1.00 11.14 O ATOM 690 OE2 GLU A 41 -5.148 -4.126 10.713 1.00 72.31 O ATOM 0 H GLU A 41 -10.455 -4.468 9.253 1.00 51.51 H new ATOM 0 HA GLU A 41 -8.221 -4.625 10.977 1.00 3.52 H new ATOM 0 HB2 GLU A 41 -8.228 -5.173 8.549 1.00 51.12 H new ATOM 0 HB3 GLU A 41 -8.575 -3.502 8.153 1.00 51.12 H new ATOM 0 HG2 GLU A 41 -6.209 -4.047 7.743 1.00 41.12 H new ATOM 0 HG3 GLU A 41 -6.369 -2.795 8.959 1.00 41.12 H new ATOM 697 N MET A 42 -9.195 -1.563 10.156 1.00 21.00 N ATOM 698 CA MET A 42 -9.098 -0.133 10.479 1.00 44.03 C ATOM 699 C MET A 42 -9.724 0.203 11.845 1.00 34.20 C ATOM 700 O MET A 42 -9.381 1.232 12.428 1.00 34.40 O ATOM 701 CB MET A 42 -9.710 0.735 9.339 1.00 21.40 C ATOM 702 CG MET A 42 -8.719 1.042 8.210 1.00 22.40 C ATOM 703 SD MET A 42 -7.353 2.059 8.811 1.00 72.05 S ATOM 704 CE MET A 42 -6.373 2.293 7.337 1.00 63.21 C ATOM 0 H MET A 42 -9.867 -1.770 9.417 1.00 21.00 H new ATOM 0 HA MET A 42 -8.038 0.109 10.558 1.00 44.03 H new ATOM 0 HB2 MET A 42 -10.575 0.218 8.923 1.00 21.40 H new ATOM 0 HB3 MET A 42 -10.071 1.673 9.760 1.00 21.40 H new ATOM 0 HG2 MET A 42 -8.331 0.110 7.798 1.00 22.40 H new ATOM 0 HG3 MET A 42 -9.233 1.559 7.400 1.00 22.40 H new ATOM 0 HE1 MET A 42 -5.687 3.127 7.485 1.00 63.21 H new ATOM 0 HE2 MET A 42 -5.803 1.387 7.131 1.00 63.21 H new ATOM 0 HE3 MET A 42 -7.030 2.508 6.494 1.00 63.21 H new ATOM 714 N LYS A 43 -10.649 -0.650 12.343 1.00 23.21 N ATOM 715 CA LYS A 43 -11.157 -0.538 13.730 1.00 74.53 C ATOM 716 C LYS A 43 -10.027 -0.855 14.721 1.00 60.12 C ATOM 717 O LYS A 43 -9.842 -0.141 15.701 1.00 15.44 O ATOM 718 CB LYS A 43 -12.369 -1.481 13.992 1.00 73.13 C ATOM 719 CG LYS A 43 -13.697 -1.077 13.307 1.00 5.31 C ATOM 720 CD LYS A 43 -14.269 0.274 13.789 1.00 4.44 C ATOM 721 CE LYS A 43 -14.590 0.293 15.293 1.00 62.32 C ATOM 722 NZ LYS A 43 -15.551 -0.776 15.690 1.00 12.44 N ATOM 0 H LYS A 43 -11.056 -1.418 11.809 1.00 23.21 H new ATOM 0 HA LYS A 43 -11.504 0.486 13.872 1.00 74.53 H new ATOM 0 HB2 LYS A 43 -12.102 -2.485 13.661 1.00 73.13 H new ATOM 0 HB3 LYS A 43 -12.538 -1.534 15.067 1.00 73.13 H new ATOM 0 HG2 LYS A 43 -13.538 -1.028 12.230 1.00 5.31 H new ATOM 0 HG3 LYS A 43 -14.437 -1.857 13.485 1.00 5.31 H new ATOM 0 HD2 LYS A 43 -13.552 1.065 13.567 1.00 4.44 H new ATOM 0 HD3 LYS A 43 -15.176 0.499 13.227 1.00 4.44 H new ATOM 0 HE2 LYS A 43 -13.666 0.174 15.859 1.00 62.32 H new ATOM 0 HE3 LYS A 43 -15.004 1.265 15.560 1.00 62.32 H new ATOM 0 HZ1 LYS A 43 -15.785 -0.676 16.698 1.00 12.44 H new ATOM 0 HZ2 LYS A 43 -16.419 -0.690 15.123 1.00 12.44 H new ATOM 0 HZ3 LYS A 43 -15.121 -1.708 15.525 1.00 12.44 H new ATOM 736 N LYS A 44 -9.251 -1.917 14.417 1.00 34.42 N ATOM 737 CA LYS A 44 -8.145 -2.379 15.278 1.00 1.33 C ATOM 738 C LYS A 44 -6.960 -1.395 15.231 1.00 21.20 C ATOM 739 O LYS A 44 -6.261 -1.210 16.227 1.00 32.21 O ATOM 740 CB LYS A 44 -7.676 -3.807 14.873 1.00 1.44 C ATOM 741 CG LYS A 44 -8.781 -4.892 14.849 1.00 43.12 C ATOM 742 CD LYS A 44 -9.584 -4.993 16.162 1.00 55.42 C ATOM 743 CE LYS A 44 -8.729 -5.388 17.379 1.00 45.22 C ATOM 744 NZ LYS A 44 -9.525 -5.316 18.638 1.00 52.12 N ATOM 0 H LYS A 44 -9.374 -2.475 13.572 1.00 34.42 H new ATOM 0 HA LYS A 44 -8.520 -2.419 16.301 1.00 1.33 H new ATOM 0 HB2 LYS A 44 -7.222 -3.754 13.883 1.00 1.44 H new ATOM 0 HB3 LYS A 44 -6.896 -4.124 15.565 1.00 1.44 H new ATOM 0 HG2 LYS A 44 -9.468 -4.680 14.030 1.00 43.12 H new ATOM 0 HG3 LYS A 44 -8.323 -5.859 14.639 1.00 43.12 H new ATOM 0 HD2 LYS A 44 -10.062 -4.034 16.360 1.00 55.42 H new ATOM 0 HD3 LYS A 44 -10.381 -5.726 16.035 1.00 55.42 H new ATOM 0 HE2 LYS A 44 -8.345 -6.399 17.245 1.00 45.22 H new ATOM 0 HE3 LYS A 44 -7.866 -4.726 17.452 1.00 45.22 H new ATOM 0 HZ1 LYS A 44 -9.187 -6.039 19.304 1.00 52.12 H new ATOM 0 HZ2 LYS A 44 -9.415 -4.374 19.065 1.00 52.12 H new ATOM 0 HZ3 LYS A 44 -10.529 -5.485 18.424 1.00 52.12 H new ATOM 758 N LEU A 45 -6.751 -0.768 14.054 1.00 40.45 N ATOM 759 CA LEU A 45 -5.737 0.291 13.865 1.00 3.14 C ATOM 760 C LEU A 45 -6.153 1.553 14.650 1.00 55.23 C ATOM 761 O LEU A 45 -5.319 2.201 15.291 1.00 11.13 O ATOM 762 CB LEU A 45 -5.554 0.617 12.350 1.00 1.10 C ATOM 763 CG LEU A 45 -4.961 -0.527 11.460 1.00 41.32 C ATOM 764 CD1 LEU A 45 -4.885 -0.113 9.974 1.00 14.52 C ATOM 765 CD2 LEU A 45 -3.585 -0.989 11.983 1.00 64.22 C ATOM 0 H LEU A 45 -7.280 -0.982 13.209 1.00 40.45 H new ATOM 0 HA LEU A 45 -4.780 -0.063 14.247 1.00 3.14 H new ATOM 0 HB2 LEU A 45 -6.524 0.900 11.942 1.00 1.10 H new ATOM 0 HB3 LEU A 45 -4.905 1.489 12.264 1.00 1.10 H new ATOM 0 HG LEU A 45 -5.643 -1.375 11.527 1.00 41.32 H new ATOM 0 HD11 LEU A 45 -4.468 -0.933 9.389 1.00 14.52 H new ATOM 0 HD12 LEU A 45 -5.885 0.121 9.610 1.00 14.52 H new ATOM 0 HD13 LEU A 45 -4.247 0.765 9.873 1.00 14.52 H new ATOM 0 HD21 LEU A 45 -3.201 -1.784 11.343 1.00 64.22 H new ATOM 0 HD22 LEU A 45 -2.891 -0.148 11.974 1.00 64.22 H new ATOM 0 HD23 LEU A 45 -3.690 -1.362 13.002 1.00 64.22 H new ATOM 777 N ALA A 46 -7.466 1.858 14.619 1.00 0.20 N ATOM 778 CA ALA A 46 -8.057 2.991 15.360 1.00 12.12 C ATOM 779 C ALA A 46 -7.924 2.788 16.881 1.00 43.30 C ATOM 780 O ALA A 46 -7.751 3.754 17.628 1.00 12.04 O ATOM 781 CB ALA A 46 -9.532 3.174 14.971 1.00 64.40 C ATOM 0 H ALA A 46 -8.147 1.325 14.079 1.00 0.20 H new ATOM 0 HA ALA A 46 -7.509 3.894 15.091 1.00 12.12 H new ATOM 0 HB1 ALA A 46 -9.953 4.013 15.525 1.00 64.40 H new ATOM 0 HB2 ALA A 46 -9.604 3.373 13.902 1.00 64.40 H new ATOM 0 HB3 ALA A 46 -10.086 2.266 15.209 1.00 64.40 H new ATOM 787 N GLU A 47 -8.012 1.517 17.315 1.00 74.41 N ATOM 788 CA GLU A 47 -7.812 1.116 18.722 1.00 63.24 C ATOM 789 C GLU A 47 -6.325 1.194 19.110 1.00 64.31 C ATOM 790 O GLU A 47 -5.988 1.562 20.234 1.00 14.13 O ATOM 791 CB GLU A 47 -8.326 -0.325 18.958 1.00 23.53 C ATOM 792 CG GLU A 47 -9.854 -0.507 18.846 1.00 11.14 C ATOM 793 CD GLU A 47 -10.274 -1.981 18.951 1.00 52.40 C ATOM 794 OE1 GLU A 47 -9.986 -2.618 19.985 1.00 32.42 O ATOM 795 OE2 GLU A 47 -10.884 -2.518 18.002 1.00 1.43 O ATOM 0 H GLU A 47 -8.225 0.734 16.697 1.00 74.41 H new ATOM 0 HA GLU A 47 -8.379 1.808 19.345 1.00 63.24 H new ATOM 0 HB2 GLU A 47 -7.844 -0.987 18.239 1.00 23.53 H new ATOM 0 HB3 GLU A 47 -8.010 -0.648 19.950 1.00 23.53 H new ATOM 0 HG2 GLU A 47 -10.345 0.065 19.633 1.00 11.14 H new ATOM 0 HG3 GLU A 47 -10.198 -0.100 17.895 1.00 11.14 H new ATOM 802 N GLU A 48 -5.452 0.872 18.144 1.00 20.11 N ATOM 803 CA GLU A 48 -4.016 0.681 18.383 1.00 3.35 C ATOM 804 C GLU A 48 -3.334 2.023 18.711 1.00 22.42 C ATOM 805 O GLU A 48 -3.126 2.854 17.824 1.00 52.22 O ATOM 806 CB GLU A 48 -3.343 0.049 17.138 1.00 32.13 C ATOM 807 CG GLU A 48 -1.845 -0.283 17.329 1.00 62.11 C ATOM 808 CD GLU A 48 -1.100 -0.550 16.022 1.00 25.10 C ATOM 809 OE1 GLU A 48 -1.624 -1.314 15.177 1.00 55.43 O ATOM 810 OE2 GLU A 48 0.016 -0.010 15.832 1.00 31.44 O ATOM 0 H GLU A 48 -5.725 0.736 17.171 1.00 20.11 H new ATOM 0 HA GLU A 48 -3.902 0.010 19.234 1.00 3.35 H new ATOM 0 HB2 GLU A 48 -3.876 -0.865 16.875 1.00 32.13 H new ATOM 0 HB3 GLU A 48 -3.448 0.733 16.296 1.00 32.13 H new ATOM 0 HG2 GLU A 48 -1.363 0.545 17.849 1.00 62.11 H new ATOM 0 HG3 GLU A 48 -1.756 -1.158 17.972 1.00 62.11 H new ATOM 817 N LYS A 49 -3.017 2.244 19.989 1.00 43.10 N ATOM 818 CA LYS A 49 -2.267 3.429 20.446 1.00 3.15 C ATOM 819 C LYS A 49 -0.744 3.147 20.400 1.00 70.13 C ATOM 820 O LYS A 49 -0.010 3.325 21.380 1.00 13.03 O ATOM 821 CB LYS A 49 -2.773 3.840 21.861 1.00 74.02 C ATOM 822 CG LYS A 49 -2.707 2.739 22.950 1.00 73.35 C ATOM 823 CD LYS A 49 -3.256 3.174 24.338 1.00 32.24 C ATOM 824 CE LYS A 49 -2.393 4.233 25.066 1.00 43.24 C ATOM 825 NZ LYS A 49 -2.470 5.587 24.444 1.00 22.01 N ATOM 0 H LYS A 49 -3.272 1.607 20.743 1.00 43.10 H new ATOM 0 HA LYS A 49 -2.442 4.274 19.780 1.00 3.15 H new ATOM 0 HB2 LYS A 49 -2.188 4.695 22.200 1.00 74.02 H new ATOM 0 HB3 LYS A 49 -3.806 4.175 21.773 1.00 74.02 H new ATOM 0 HG2 LYS A 49 -3.270 1.871 22.606 1.00 73.35 H new ATOM 0 HG3 LYS A 49 -1.671 2.422 23.066 1.00 73.35 H new ATOM 0 HD2 LYS A 49 -4.263 3.571 24.208 1.00 32.24 H new ATOM 0 HD3 LYS A 49 -3.340 2.293 24.974 1.00 32.24 H new ATOM 0 HE2 LYS A 49 -2.713 4.300 26.106 1.00 43.24 H new ATOM 0 HE3 LYS A 49 -1.354 3.903 25.073 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 -2.589 6.304 25.188 1.00 22.01 H new ATOM 0 HZ2 LYS A 49 -1.594 5.777 23.917 1.00 22.01 H new ATOM 0 HZ3 LYS A 49 -3.281 5.625 23.794 1.00 22.01 H new ATOM 839 N ASN A 50 -0.287 2.734 19.205 1.00 15.24 N ATOM 840 CA ASN A 50 1.106 2.318 18.954 1.00 15.41 C ATOM 841 C ASN A 50 1.498 2.659 17.506 1.00 43.14 C ATOM 842 O ASN A 50 0.637 2.923 16.658 1.00 14.33 O ATOM 843 CB ASN A 50 1.265 0.790 19.232 1.00 61.40 C ATOM 844 CG ASN A 50 2.700 0.255 19.088 1.00 14.03 C ATOM 845 OD1 ASN A 50 3.676 0.945 19.377 1.00 35.10 O ATOM 846 ND2 ASN A 50 2.840 -0.969 18.612 1.00 24.33 N ATOM 0 H ASN A 50 -0.880 2.679 18.377 1.00 15.24 H new ATOM 0 HA ASN A 50 1.773 2.857 19.627 1.00 15.41 H new ATOM 0 HB2 ASN A 50 0.913 0.580 20.242 1.00 61.40 H new ATOM 0 HB3 ASN A 50 0.617 0.241 18.549 1.00 61.40 H new ATOM 0 HD21 ASN A 50 3.772 -1.360 18.477 1.00 24.33 H new ATOM 0 HD22 ASN A 50 2.016 -1.523 18.379 1.00 24.33 H new ATOM 853 N PHE A 51 2.813 2.667 17.255 1.00 72.01 N ATOM 854 CA PHE A 51 3.409 2.923 15.937 1.00 33.23 C ATOM 855 C PHE A 51 3.860 1.611 15.245 1.00 12.45 C ATOM 856 O PHE A 51 4.796 1.641 14.437 1.00 73.10 O ATOM 857 CB PHE A 51 4.598 3.926 16.098 1.00 71.33 C ATOM 858 CG PHE A 51 5.697 3.505 17.091 1.00 4.25 C ATOM 859 CD1 PHE A 51 5.584 3.800 18.451 1.00 52.12 C ATOM 860 CD2 PHE A 51 6.842 2.823 16.663 1.00 44.44 C ATOM 861 CE1 PHE A 51 6.560 3.408 19.352 1.00 64.41 C ATOM 862 CE2 PHE A 51 7.819 2.435 17.565 1.00 42.13 C ATOM 863 CZ PHE A 51 7.681 2.733 18.906 1.00 5.03 C ATOM 0 H PHE A 51 3.509 2.492 17.980 1.00 72.01 H new ATOM 0 HA PHE A 51 2.653 3.367 15.289 1.00 33.23 H new ATOM 0 HB2 PHE A 51 5.056 4.078 15.121 1.00 71.33 H new ATOM 0 HB3 PHE A 51 4.197 4.889 16.415 1.00 71.33 H new ATOM 0 HD1 PHE A 51 4.721 4.343 18.806 1.00 52.12 H new ATOM 0 HD2 PHE A 51 6.965 2.596 15.614 1.00 44.44 H new ATOM 0 HE1 PHE A 51 6.445 3.630 20.403 1.00 64.41 H new ATOM 0 HE2 PHE A 51 8.690 1.899 17.219 1.00 42.13 H new ATOM 0 HZ PHE A 51 8.449 2.439 19.606 1.00 5.03 H new ATOM 873 N GLU A 52 3.166 0.470 15.519 1.00 45.14 N ATOM 874 CA GLU A 52 3.533 -0.854 14.933 1.00 54.10 C ATOM 875 C GLU A 52 3.459 -0.798 13.398 1.00 24.24 C ATOM 876 O GLU A 52 2.479 -0.308 12.838 1.00 15.43 O ATOM 877 CB GLU A 52 2.624 -2.006 15.449 1.00 54.00 C ATOM 878 CG GLU A 52 3.033 -3.416 14.944 1.00 35.31 C ATOM 879 CD GLU A 52 2.066 -4.538 15.368 1.00 23.53 C ATOM 880 OE1 GLU A 52 2.103 -4.962 16.538 1.00 71.02 O ATOM 881 OE2 GLU A 52 1.261 -5.003 14.529 1.00 43.22 O ATOM 0 H GLU A 52 2.355 0.439 16.137 1.00 45.14 H new ATOM 0 HA GLU A 52 4.554 -1.066 15.252 1.00 54.10 H new ATOM 0 HB2 GLU A 52 2.639 -2.005 16.539 1.00 54.00 H new ATOM 0 HB3 GLU A 52 1.597 -1.807 15.144 1.00 54.00 H new ATOM 0 HG2 GLU A 52 3.096 -3.397 13.856 1.00 35.31 H new ATOM 0 HG3 GLU A 52 4.030 -3.649 15.317 1.00 35.31 H new ATOM 888 N LYS A 53 4.506 -1.303 12.732 1.00 14.31 N ATOM 889 CA LYS A 53 4.617 -1.235 11.273 1.00 23.14 C ATOM 890 C LYS A 53 3.700 -2.265 10.618 1.00 74.33 C ATOM 891 O LYS A 53 3.857 -3.466 10.812 1.00 53.03 O ATOM 892 CB LYS A 53 6.088 -1.419 10.830 1.00 42.53 C ATOM 893 CG LYS A 53 7.016 -0.296 11.327 1.00 60.41 C ATOM 894 CD LYS A 53 6.552 1.110 10.869 1.00 62.43 C ATOM 895 CE LYS A 53 7.316 2.226 11.576 1.00 50.11 C ATOM 896 NZ LYS A 53 7.138 2.172 13.058 1.00 13.33 N ATOM 0 H LYS A 53 5.293 -1.766 13.187 1.00 14.31 H new ATOM 0 HA LYS A 53 4.295 -0.247 10.943 1.00 23.14 H new ATOM 0 HB2 LYS A 53 6.455 -2.376 11.201 1.00 42.53 H new ATOM 0 HB3 LYS A 53 6.130 -1.461 9.742 1.00 42.53 H new ATOM 0 HG2 LYS A 53 7.061 -0.323 12.416 1.00 60.41 H new ATOM 0 HG3 LYS A 53 8.027 -0.477 10.962 1.00 60.41 H new ATOM 0 HD2 LYS A 53 6.689 1.203 9.792 1.00 62.43 H new ATOM 0 HD3 LYS A 53 5.486 1.221 11.065 1.00 62.43 H new ATOM 0 HE2 LYS A 53 8.376 2.149 11.335 1.00 50.11 H new ATOM 0 HE3 LYS A 53 6.974 3.192 11.204 1.00 50.11 H new ATOM 0 HZ1 LYS A 53 7.118 3.139 13.441 1.00 13.33 H new ATOM 0 HZ2 LYS A 53 6.243 1.692 13.283 1.00 13.33 H new ATOM 0 HZ3 LYS A 53 7.928 1.647 13.484 1.00 13.33 H new ATOM 910 N ILE A 54 2.718 -1.756 9.863 1.00 63.30 N ATOM 911 CA ILE A 54 1.720 -2.570 9.163 1.00 35.23 C ATOM 912 C ILE A 54 1.740 -2.201 7.676 1.00 31.45 C ATOM 913 O ILE A 54 1.512 -1.048 7.309 1.00 5.32 O ATOM 914 CB ILE A 54 0.273 -2.375 9.780 1.00 33.40 C ATOM 915 CG1 ILE A 54 0.175 -3.004 11.212 1.00 25.41 C ATOM 916 CG2 ILE A 54 -0.840 -2.932 8.855 1.00 1.12 C ATOM 917 CD1 ILE A 54 0.327 -4.513 11.268 1.00 43.34 C ATOM 0 H ILE A 54 2.594 -0.754 9.720 1.00 63.30 H new ATOM 0 HA ILE A 54 1.971 -3.624 9.282 1.00 35.23 H new ATOM 0 HB ILE A 54 0.112 -1.301 9.868 1.00 33.40 H new ATOM 0 HG12 ILE A 54 0.942 -2.554 11.842 1.00 25.41 H new ATOM 0 HG13 ILE A 54 -0.789 -2.736 11.644 1.00 25.41 H new ATOM 0 HG21 ILE A 54 -1.813 -2.775 9.321 1.00 1.12 H new ATOM 0 HG22 ILE A 54 -0.809 -2.414 7.896 1.00 1.12 H new ATOM 0 HG23 ILE A 54 -0.681 -3.999 8.697 1.00 1.12 H new ATOM 0 HD11 ILE A 54 0.244 -4.849 12.302 1.00 43.34 H new ATOM 0 HD12 ILE A 54 -0.456 -4.980 10.671 1.00 43.34 H new ATOM 0 HD13 ILE A 54 1.303 -4.795 10.872 1.00 43.34 H new ATOM 929 N LEU A 55 2.078 -3.182 6.844 1.00 41.35 N ATOM 930 CA LEU A 55 1.940 -3.077 5.390 1.00 11.20 C ATOM 931 C LEU A 55 0.548 -3.596 5.017 1.00 2.41 C ATOM 932 O LEU A 55 0.174 -4.693 5.424 1.00 44.10 O ATOM 933 CB LEU A 55 3.078 -3.875 4.693 1.00 30.53 C ATOM 934 CG LEU A 55 3.236 -3.653 3.141 1.00 21.21 C ATOM 935 CD1 LEU A 55 4.673 -3.906 2.691 1.00 53.22 C ATOM 936 CD2 LEU A 55 2.274 -4.511 2.299 1.00 63.24 C ATOM 0 H LEU A 55 2.457 -4.076 7.158 1.00 41.35 H new ATOM 0 HA LEU A 55 2.032 -2.044 5.053 1.00 11.20 H new ATOM 0 HB2 LEU A 55 4.021 -3.616 5.174 1.00 30.53 H new ATOM 0 HB3 LEU A 55 2.910 -4.937 4.872 1.00 30.53 H new ATOM 0 HG LEU A 55 2.975 -2.609 2.968 1.00 21.21 H new ATOM 0 HD11 LEU A 55 4.751 -3.745 1.616 1.00 53.22 H new ATOM 0 HD12 LEU A 55 5.343 -3.221 3.210 1.00 53.22 H new ATOM 0 HD13 LEU A 55 4.952 -4.933 2.925 1.00 53.22 H new ATOM 0 HD21 LEU A 55 2.437 -4.308 1.241 1.00 63.24 H new ATOM 0 HD22 LEU A 55 2.458 -5.567 2.499 1.00 63.24 H new ATOM 0 HD23 LEU A 55 1.245 -4.267 2.561 1.00 63.24 H new ATOM 948 N ILE A 56 -0.217 -2.794 4.264 1.00 44.10 N ATOM 949 CA ILE A 56 -1.562 -3.164 3.804 1.00 63.03 C ATOM 950 C ILE A 56 -1.497 -3.536 2.310 1.00 33.53 C ATOM 951 O ILE A 56 -1.210 -2.683 1.464 1.00 31.00 O ATOM 952 CB ILE A 56 -2.597 -1.991 4.015 1.00 35.04 C ATOM 953 CG1 ILE A 56 -2.755 -1.617 5.529 1.00 13.23 C ATOM 954 CG2 ILE A 56 -3.970 -2.339 3.382 1.00 10.15 C ATOM 955 CD1 ILE A 56 -3.438 -2.672 6.392 1.00 54.53 C ATOM 0 H ILE A 56 0.080 -1.868 3.956 1.00 44.10 H new ATOM 0 HA ILE A 56 -1.903 -4.015 4.394 1.00 63.03 H new ATOM 0 HB ILE A 56 -2.200 -1.114 3.504 1.00 35.04 H new ATOM 0 HG12 ILE A 56 -1.766 -1.418 5.942 1.00 13.23 H new ATOM 0 HG13 ILE A 56 -3.323 -0.690 5.600 1.00 13.23 H new ATOM 0 HG21 ILE A 56 -4.664 -1.514 3.542 1.00 10.15 H new ATOM 0 HG22 ILE A 56 -3.845 -2.506 2.312 1.00 10.15 H new ATOM 0 HG23 ILE A 56 -4.366 -3.242 3.847 1.00 10.15 H new ATOM 0 HD11 ILE A 56 -3.498 -2.317 7.421 1.00 54.53 H new ATOM 0 HD12 ILE A 56 -4.443 -2.858 6.013 1.00 54.53 H new ATOM 0 HD13 ILE A 56 -2.862 -3.597 6.360 1.00 54.53 H new ATOM 967 N ILE A 57 -1.727 -4.824 2.017 1.00 52.54 N ATOM 968 CA ILE A 57 -1.955 -5.314 0.649 1.00 43.05 C ATOM 969 C ILE A 57 -3.468 -5.307 0.387 1.00 11.21 C ATOM 970 O ILE A 57 -4.249 -5.776 1.221 1.00 73.12 O ATOM 971 CB ILE A 57 -1.382 -6.770 0.431 1.00 3.32 C ATOM 972 CG1 ILE A 57 0.142 -6.804 0.741 1.00 2.51 C ATOM 973 CG2 ILE A 57 -1.679 -7.285 -1.008 1.00 22.02 C ATOM 974 CD1 ILE A 57 0.794 -8.168 0.643 1.00 21.22 C ATOM 0 H ILE A 57 -1.760 -5.558 2.724 1.00 52.54 H new ATOM 0 HA ILE A 57 -1.431 -4.660 -0.047 1.00 43.05 H new ATOM 0 HB ILE A 57 -1.886 -7.443 1.125 1.00 3.32 H new ATOM 0 HG12 ILE A 57 0.650 -6.127 0.055 1.00 2.51 H new ATOM 0 HG13 ILE A 57 0.300 -6.416 1.747 1.00 2.51 H new ATOM 0 HG21 ILE A 57 -1.272 -8.289 -1.126 1.00 22.02 H new ATOM 0 HG22 ILE A 57 -2.757 -7.309 -1.171 1.00 22.02 H new ATOM 0 HG23 ILE A 57 -1.217 -6.618 -1.736 1.00 22.02 H new ATOM 0 HD11 ILE A 57 1.855 -8.082 0.878 1.00 21.22 H new ATOM 0 HD12 ILE A 57 0.320 -8.849 1.350 1.00 21.22 H new ATOM 0 HD13 ILE A 57 0.676 -8.556 -0.369 1.00 21.22 H new ATOM 986 N SER A 58 -3.862 -4.732 -0.742 1.00 61.01 N ATOM 987 CA SER A 58 -5.232 -4.790 -1.254 1.00 4.55 C ATOM 988 C SER A 58 -5.138 -4.881 -2.774 1.00 34.43 C ATOM 989 O SER A 58 -4.383 -4.138 -3.379 1.00 4.43 O ATOM 990 CB SER A 58 -6.042 -3.544 -0.804 1.00 20.01 C ATOM 991 OG SER A 58 -7.389 -3.604 -1.255 1.00 33.15 O ATOM 0 H SER A 58 -3.229 -4.202 -1.341 1.00 61.01 H new ATOM 0 HA SER A 58 -5.760 -5.658 -0.858 1.00 4.55 H new ATOM 0 HB2 SER A 58 -6.025 -3.472 0.283 1.00 20.01 H new ATOM 0 HB3 SER A 58 -5.568 -2.642 -1.191 1.00 20.01 H new ATOM 0 HG SER A 58 -7.507 -2.995 -2.014 1.00 33.15 H new ATOM 997 N ASN A 59 -5.853 -5.834 -3.377 1.00 74.21 N ATOM 998 CA ASN A 59 -5.858 -6.031 -4.849 1.00 54.42 C ATOM 999 C ASN A 59 -7.028 -5.266 -5.492 1.00 15.32 C ATOM 1000 O ASN A 59 -7.143 -5.190 -6.724 1.00 22.42 O ATOM 1001 CB ASN A 59 -5.950 -7.542 -5.182 1.00 53.20 C ATOM 1002 CG ASN A 59 -4.832 -8.380 -4.550 1.00 64.24 C ATOM 1003 OD1 ASN A 59 -3.710 -7.908 -4.344 1.00 74.33 O ATOM 1004 ND2 ASN A 59 -5.133 -9.633 -4.232 1.00 63.45 N ATOM 0 H ASN A 59 -6.445 -6.493 -2.872 1.00 74.21 H new ATOM 0 HA ASN A 59 -4.927 -5.638 -5.258 1.00 54.42 H new ATOM 0 HB2 ASN A 59 -6.914 -7.922 -4.843 1.00 53.20 H new ATOM 0 HB3 ASN A 59 -5.920 -7.669 -6.264 1.00 53.20 H new ATOM 0 HD21 ASN A 59 -4.428 -10.234 -3.805 1.00 63.45 H new ATOM 0 HD22 ASN A 59 -6.069 -9.995 -4.414 1.00 63.45 H new ATOM 1011 N ASP A 60 -7.877 -4.682 -4.637 1.00 62.53 N ATOM 1012 CA ASP A 60 -9.102 -3.991 -5.037 1.00 45.10 C ATOM 1013 C ASP A 60 -8.902 -2.497 -4.795 1.00 61.30 C ATOM 1014 O ASP A 60 -8.730 -2.066 -3.650 1.00 14.11 O ATOM 1015 CB ASP A 60 -10.310 -4.517 -4.223 1.00 13.03 C ATOM 1016 CG ASP A 60 -10.430 -6.044 -4.277 1.00 50.11 C ATOM 1017 OD1 ASP A 60 -10.979 -6.579 -5.264 1.00 65.24 O ATOM 1018 OD2 ASP A 60 -9.961 -6.725 -3.334 1.00 23.15 O ATOM 0 H ASP A 60 -7.725 -4.678 -3.628 1.00 62.53 H new ATOM 0 HA ASP A 60 -9.310 -4.174 -6.091 1.00 45.10 H new ATOM 0 HB2 ASP A 60 -10.211 -4.199 -3.185 1.00 13.03 H new ATOM 0 HB3 ASP A 60 -11.226 -4.069 -4.607 1.00 13.03 H new ATOM 1023 N LYS A 61 -8.915 -1.718 -5.879 1.00 44.40 N ATOM 1024 CA LYS A 61 -8.683 -0.270 -5.833 1.00 35.22 C ATOM 1025 C LYS A 61 -9.875 0.489 -5.212 1.00 62.41 C ATOM 1026 O LYS A 61 -9.709 1.618 -4.748 1.00 24.21 O ATOM 1027 CB LYS A 61 -8.290 0.223 -7.257 1.00 51.33 C ATOM 1028 CG LYS A 61 -6.815 -0.118 -7.601 1.00 24.13 C ATOM 1029 CD LYS A 61 -6.421 0.098 -9.077 1.00 41.11 C ATOM 1030 CE LYS A 61 -7.031 -0.951 -10.013 1.00 12.21 C ATOM 1031 NZ LYS A 61 -6.485 -0.824 -11.386 1.00 33.20 N ATOM 0 H LYS A 61 -9.088 -2.075 -6.819 1.00 44.40 H new ATOM 0 HA LYS A 61 -7.850 -0.051 -5.165 1.00 35.22 H new ATOM 0 HB2 LYS A 61 -8.950 -0.234 -7.994 1.00 51.33 H new ATOM 0 HB3 LYS A 61 -8.438 1.301 -7.322 1.00 51.33 H new ATOM 0 HG2 LYS A 61 -6.162 0.489 -6.974 1.00 24.13 H new ATOM 0 HG3 LYS A 61 -6.629 -1.160 -7.340 1.00 24.13 H new ATOM 0 HD2 LYS A 61 -6.742 1.091 -9.393 1.00 41.11 H new ATOM 0 HD3 LYS A 61 -5.335 0.071 -9.166 1.00 41.11 H new ATOM 0 HE2 LYS A 61 -6.826 -1.950 -9.628 1.00 12.21 H new ATOM 0 HE3 LYS A 61 -8.115 -0.835 -10.037 1.00 12.21 H new ATOM 0 HZ1 LYS A 61 -7.259 -0.902 -12.076 1.00 33.20 H new ATOM 0 HZ2 LYS A 61 -6.020 0.100 -11.490 1.00 33.20 H new ATOM 0 HZ3 LYS A 61 -5.793 -1.581 -11.556 1.00 33.20 H new ATOM 1045 N GLN A 62 -11.053 -0.165 -5.151 1.00 71.23 N ATOM 1046 CA GLN A 62 -12.229 0.348 -4.421 1.00 13.42 C ATOM 1047 C GLN A 62 -11.974 0.263 -2.905 1.00 4.02 C ATOM 1048 O GLN A 62 -12.277 1.206 -2.156 1.00 71.22 O ATOM 1049 CB GLN A 62 -13.499 -0.455 -4.816 1.00 0.42 C ATOM 1050 CG GLN A 62 -14.805 -0.049 -4.093 1.00 23.33 C ATOM 1051 CD GLN A 62 -15.213 1.420 -4.291 1.00 5.10 C ATOM 1052 OE1 GLN A 62 -14.917 2.047 -5.312 1.00 61.20 O ATOM 1053 NE2 GLN A 62 -15.920 1.975 -3.321 1.00 40.14 N ATOM 0 H GLN A 62 -11.215 -1.063 -5.606 1.00 71.23 H new ATOM 0 HA GLN A 62 -12.393 1.392 -4.689 1.00 13.42 H new ATOM 0 HB2 GLN A 62 -13.653 -0.350 -5.890 1.00 0.42 H new ATOM 0 HB3 GLN A 62 -13.312 -1.511 -4.623 1.00 0.42 H new ATOM 0 HG2 GLN A 62 -15.614 -0.688 -4.445 1.00 23.33 H new ATOM 0 HG3 GLN A 62 -14.689 -0.240 -3.026 1.00 23.33 H new ATOM 0 HE21 GLN A 62 -16.152 1.436 -2.487 1.00 40.14 H new ATOM 0 HE22 GLN A 62 -16.233 2.942 -3.407 1.00 40.14 H new ATOM 1062 N LEU A 63 -11.380 -0.873 -2.467 1.00 52.14 N ATOM 1063 CA LEU A 63 -10.986 -1.077 -1.064 1.00 11.10 C ATOM 1064 C LEU A 63 -9.856 -0.105 -0.686 1.00 33.23 C ATOM 1065 O LEU A 63 -9.808 0.396 0.430 1.00 64.43 O ATOM 1066 CB LEU A 63 -10.544 -2.547 -0.790 1.00 61.50 C ATOM 1067 CG LEU A 63 -11.647 -3.649 -0.911 1.00 13.04 C ATOM 1068 CD1 LEU A 63 -11.115 -5.028 -0.439 1.00 45.52 C ATOM 1069 CD2 LEU A 63 -12.924 -3.238 -0.152 1.00 74.15 C ATOM 0 H LEU A 63 -11.165 -1.663 -3.075 1.00 52.14 H new ATOM 0 HA LEU A 63 -11.860 -0.877 -0.444 1.00 11.10 H new ATOM 0 HB2 LEU A 63 -9.739 -2.794 -1.482 1.00 61.50 H new ATOM 0 HB3 LEU A 63 -10.125 -2.594 0.215 1.00 61.50 H new ATOM 0 HG LEU A 63 -11.912 -3.748 -1.964 1.00 13.04 H new ATOM 0 HD11 LEU A 63 -11.904 -5.774 -0.534 1.00 45.52 H new ATOM 0 HD12 LEU A 63 -10.263 -5.319 -1.054 1.00 45.52 H new ATOM 0 HD13 LEU A 63 -10.804 -4.960 0.603 1.00 45.52 H new ATOM 0 HD21 LEU A 63 -13.675 -4.022 -0.252 1.00 74.15 H new ATOM 0 HD22 LEU A 63 -12.690 -3.093 0.903 1.00 74.15 H new ATOM 0 HD23 LEU A 63 -13.312 -2.309 -0.569 1.00 74.15 H new ATOM 1081 N LEU A 64 -8.956 0.164 -1.639 1.00 13.24 N ATOM 1082 CA LEU A 64 -7.878 1.142 -1.442 1.00 54.14 C ATOM 1083 C LEU A 64 -8.461 2.548 -1.166 1.00 31.14 C ATOM 1084 O LEU A 64 -7.987 3.247 -0.266 1.00 34.13 O ATOM 1085 CB LEU A 64 -6.922 1.136 -2.659 1.00 41.24 C ATOM 1086 CG LEU A 64 -5.703 2.130 -2.589 1.00 52.52 C ATOM 1087 CD1 LEU A 64 -4.478 1.567 -3.305 1.00 43.24 C ATOM 1088 CD2 LEU A 64 -6.046 3.510 -3.169 1.00 52.25 C ATOM 0 H LEU A 64 -8.952 -0.282 -2.556 1.00 13.24 H new ATOM 0 HA LEU A 64 -7.295 0.859 -0.565 1.00 54.14 H new ATOM 0 HB2 LEU A 64 -6.533 0.125 -2.785 1.00 41.24 H new ATOM 0 HB3 LEU A 64 -7.502 1.368 -3.552 1.00 41.24 H new ATOM 0 HG LEU A 64 -5.471 2.251 -1.531 1.00 52.52 H new ATOM 0 HD11 LEU A 64 -3.657 2.280 -3.236 1.00 43.24 H new ATOM 0 HD12 LEU A 64 -4.183 0.628 -2.838 1.00 43.24 H new ATOM 0 HD13 LEU A 64 -4.718 1.391 -4.353 1.00 43.24 H new ATOM 0 HD21 LEU A 64 -5.175 4.161 -3.099 1.00 52.25 H new ATOM 0 HD22 LEU A 64 -6.336 3.403 -4.214 1.00 52.25 H new ATOM 0 HD23 LEU A 64 -6.871 3.946 -2.606 1.00 52.25 H new ATOM 1100 N LYS A 65 -9.492 2.937 -1.948 1.00 32.21 N ATOM 1101 CA LYS A 65 -10.207 4.223 -1.773 1.00 14.45 C ATOM 1102 C LYS A 65 -10.786 4.356 -0.350 1.00 43.45 C ATOM 1103 O LYS A 65 -10.571 5.378 0.320 1.00 53.24 O ATOM 1104 CB LYS A 65 -11.342 4.348 -2.825 1.00 12.04 C ATOM 1105 CG LYS A 65 -10.857 4.532 -4.279 1.00 20.14 C ATOM 1106 CD LYS A 65 -11.977 4.271 -5.318 1.00 63.54 C ATOM 1107 CE LYS A 65 -13.205 5.185 -5.143 1.00 45.32 C ATOM 1108 NZ LYS A 65 -14.283 4.851 -6.117 1.00 64.10 N ATOM 0 H LYS A 65 -9.852 2.371 -2.716 1.00 32.21 H new ATOM 0 HA LYS A 65 -9.489 5.030 -1.919 1.00 14.45 H new ATOM 0 HB2 LYS A 65 -11.965 3.455 -2.775 1.00 12.04 H new ATOM 0 HB3 LYS A 65 -11.975 5.194 -2.558 1.00 12.04 H new ATOM 0 HG2 LYS A 65 -10.478 5.546 -4.406 1.00 20.14 H new ATOM 0 HG3 LYS A 65 -10.025 3.854 -4.469 1.00 20.14 H new ATOM 0 HD2 LYS A 65 -11.571 4.410 -6.320 1.00 63.54 H new ATOM 0 HD3 LYS A 65 -12.295 3.231 -5.244 1.00 63.54 H new ATOM 0 HE2 LYS A 65 -13.589 5.088 -4.128 1.00 45.32 H new ATOM 0 HE3 LYS A 65 -12.906 6.225 -5.273 1.00 45.32 H new ATOM 0 HZ1 LYS A 65 -15.079 5.508 -5.992 1.00 64.10 H new ATOM 0 HZ2 LYS A 65 -13.914 4.935 -7.086 1.00 64.10 H new ATOM 0 HZ3 LYS A 65 -14.609 3.877 -5.954 1.00 64.10 H new ATOM 1122 N GLU A 66 -11.511 3.301 0.091 1.00 53.11 N ATOM 1123 CA GLU A 66 -12.028 3.171 1.474 1.00 62.43 C ATOM 1124 C GLU A 66 -10.908 3.397 2.513 1.00 31.41 C ATOM 1125 O GLU A 66 -11.042 4.224 3.428 1.00 25.24 O ATOM 1126 CB GLU A 66 -12.638 1.751 1.677 1.00 51.33 C ATOM 1127 CG GLU A 66 -14.075 1.560 1.163 1.00 1.02 C ATOM 1128 CD GLU A 66 -15.121 2.262 2.054 1.00 61.04 C ATOM 1129 OE1 GLU A 66 -15.436 1.737 3.147 1.00 33.13 O ATOM 1130 OE2 GLU A 66 -15.633 3.333 1.672 1.00 33.34 O ATOM 0 H GLU A 66 -11.755 2.511 -0.507 1.00 53.11 H new ATOM 0 HA GLU A 66 -12.795 3.932 1.620 1.00 62.43 H new ATOM 0 HB2 GLU A 66 -11.995 1.025 1.179 1.00 51.33 H new ATOM 0 HB3 GLU A 66 -12.619 1.517 2.741 1.00 51.33 H new ATOM 0 HG2 GLU A 66 -14.149 1.949 0.147 1.00 1.02 H new ATOM 0 HG3 GLU A 66 -14.301 0.495 1.114 1.00 1.02 H new ATOM 1137 N MET A 67 -9.802 2.661 2.302 1.00 71.45 N ATOM 1138 CA MET A 67 -8.639 2.632 3.194 1.00 24.32 C ATOM 1139 C MET A 67 -8.032 4.048 3.370 1.00 43.32 C ATOM 1140 O MET A 67 -7.739 4.453 4.489 1.00 41.13 O ATOM 1141 CB MET A 67 -7.574 1.643 2.626 1.00 24.42 C ATOM 1142 CG MET A 67 -6.476 1.240 3.617 1.00 63.43 C ATOM 1143 SD MET A 67 -7.067 0.140 4.928 1.00 23.44 S ATOM 1144 CE MET A 67 -7.423 -1.368 4.024 1.00 0.45 C ATOM 0 H MET A 67 -9.694 2.058 1.487 1.00 71.45 H new ATOM 0 HA MET A 67 -8.960 2.289 4.178 1.00 24.32 H new ATOM 0 HB2 MET A 67 -8.082 0.742 2.283 1.00 24.42 H new ATOM 0 HB3 MET A 67 -7.106 2.097 1.753 1.00 24.42 H new ATOM 0 HG2 MET A 67 -5.669 0.747 3.075 1.00 63.43 H new ATOM 0 HG3 MET A 67 -6.055 2.139 4.068 1.00 63.43 H new ATOM 0 HE1 MET A 67 -7.447 -2.210 4.716 1.00 0.45 H new ATOM 0 HE2 MET A 67 -8.390 -1.276 3.530 1.00 0.45 H new ATOM 0 HE3 MET A 67 -6.648 -1.535 3.276 1.00 0.45 H new ATOM 1154 N LEU A 68 -7.918 4.802 2.244 1.00 14.31 N ATOM 1155 CA LEU A 68 -7.311 6.160 2.223 1.00 24.30 C ATOM 1156 C LEU A 68 -8.183 7.197 2.946 1.00 35.42 C ATOM 1157 O LEU A 68 -7.649 8.096 3.602 1.00 44.52 O ATOM 1158 CB LEU A 68 -7.057 6.648 0.774 1.00 2.35 C ATOM 1159 CG LEU A 68 -6.009 5.861 -0.061 1.00 32.21 C ATOM 1160 CD1 LEU A 68 -5.875 6.488 -1.458 1.00 12.51 C ATOM 1161 CD2 LEU A 68 -4.639 5.773 0.655 1.00 4.53 C ATOM 0 H LEU A 68 -8.243 4.487 1.330 1.00 14.31 H new ATOM 0 HA LEU A 68 -6.361 6.070 2.750 1.00 24.30 H new ATOM 0 HB2 LEU A 68 -8.005 6.624 0.237 1.00 2.35 H new ATOM 0 HB3 LEU A 68 -6.742 7.691 0.818 1.00 2.35 H new ATOM 0 HG LEU A 68 -6.365 4.836 -0.170 1.00 32.21 H new ATOM 0 HD11 LEU A 68 -5.139 5.931 -2.038 1.00 12.51 H new ATOM 0 HD12 LEU A 68 -6.839 6.453 -1.966 1.00 12.51 H new ATOM 0 HD13 LEU A 68 -5.553 7.525 -1.362 1.00 12.51 H new ATOM 0 HD21 LEU A 68 -3.939 5.214 0.034 1.00 4.53 H new ATOM 0 HD22 LEU A 68 -4.252 6.778 0.824 1.00 4.53 H new ATOM 0 HD23 LEU A 68 -4.760 5.265 1.612 1.00 4.53 H new ATOM 1173 N GLU A 69 -9.520 7.084 2.783 1.00 3.10 N ATOM 1174 CA GLU A 69 -10.486 7.950 3.495 1.00 43.30 C ATOM 1175 C GLU A 69 -10.294 7.820 5.014 1.00 4.22 C ATOM 1176 O GLU A 69 -10.216 8.823 5.737 1.00 72.02 O ATOM 1177 CB GLU A 69 -11.944 7.584 3.109 1.00 51.35 C ATOM 1178 CG GLU A 69 -12.305 7.854 1.641 1.00 3.31 C ATOM 1179 CD GLU A 69 -12.160 9.334 1.236 1.00 61.11 C ATOM 1180 OE1 GLU A 69 -12.827 10.194 1.850 1.00 23.33 O ATOM 1181 OE2 GLU A 69 -11.403 9.643 0.288 1.00 53.23 O ATOM 0 H GLU A 69 -9.955 6.400 2.164 1.00 3.10 H new ATOM 0 HA GLU A 69 -10.302 8.983 3.200 1.00 43.30 H new ATOM 0 HB2 GLU A 69 -12.107 6.527 3.321 1.00 51.35 H new ATOM 0 HB3 GLU A 69 -12.626 8.146 3.746 1.00 51.35 H new ATOM 0 HG2 GLU A 69 -11.667 7.246 1.000 1.00 3.31 H new ATOM 0 HG3 GLU A 69 -13.332 7.535 1.463 1.00 3.31 H new ATOM 1188 N LEU A 70 -10.169 6.560 5.462 1.00 72.33 N ATOM 1189 CA LEU A 70 -9.930 6.214 6.873 1.00 3.53 C ATOM 1190 C LEU A 70 -8.525 6.669 7.341 1.00 65.23 C ATOM 1191 O LEU A 70 -8.391 7.225 8.430 1.00 3.35 O ATOM 1192 CB LEU A 70 -10.130 4.687 7.051 1.00 13.02 C ATOM 1193 CG LEU A 70 -11.560 4.168 6.680 1.00 1.13 C ATOM 1194 CD1 LEU A 70 -11.614 2.630 6.621 1.00 32.04 C ATOM 1195 CD2 LEU A 70 -12.621 4.738 7.648 1.00 24.13 C ATOM 0 H LEU A 70 -10.231 5.746 4.850 1.00 72.33 H new ATOM 0 HA LEU A 70 -10.645 6.744 7.502 1.00 3.53 H new ATOM 0 HB2 LEU A 70 -9.397 4.164 6.436 1.00 13.02 H new ATOM 0 HB3 LEU A 70 -9.921 4.425 8.088 1.00 13.02 H new ATOM 0 HG LEU A 70 -11.792 4.530 5.679 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -12.623 2.311 6.361 1.00 32.04 H new ATOM 0 HD12 LEU A 70 -10.914 2.270 5.867 1.00 32.04 H new ATOM 0 HD13 LEU A 70 -11.343 2.219 7.593 1.00 32.04 H new ATOM 0 HD21 LEU A 70 -13.606 4.363 7.370 1.00 24.13 H new ATOM 0 HD22 LEU A 70 -12.389 4.427 8.667 1.00 24.13 H new ATOM 0 HD23 LEU A 70 -12.618 5.827 7.591 1.00 24.13 H new ATOM 1207 N ILE A 71 -7.505 6.483 6.464 1.00 62.44 N ATOM 1208 CA ILE A 71 -6.088 6.870 6.721 1.00 43.12 C ATOM 1209 C ILE A 71 -5.978 8.379 7.001 1.00 1.50 C ATOM 1210 O ILE A 71 -5.261 8.795 7.917 1.00 24.21 O ATOM 1211 CB ILE A 71 -5.154 6.471 5.487 1.00 2.21 C ATOM 1212 CG1 ILE A 71 -4.841 4.939 5.485 1.00 62.02 C ATOM 1213 CG2 ILE A 71 -3.847 7.305 5.417 1.00 2.52 C ATOM 1214 CD1 ILE A 71 -4.122 4.421 4.245 1.00 33.02 C ATOM 0 H ILE A 71 -7.642 6.056 5.548 1.00 62.44 H new ATOM 0 HA ILE A 71 -5.748 6.325 7.602 1.00 43.12 H new ATOM 0 HB ILE A 71 -5.722 6.710 4.588 1.00 2.21 H new ATOM 0 HG12 ILE A 71 -4.233 4.708 6.360 1.00 62.02 H new ATOM 0 HG13 ILE A 71 -5.778 4.394 5.595 1.00 62.02 H new ATOM 0 HG21 ILE A 71 -3.257 6.986 4.558 1.00 2.52 H new ATOM 0 HG22 ILE A 71 -4.095 8.362 5.315 1.00 2.52 H new ATOM 0 HG23 ILE A 71 -3.270 7.154 6.329 1.00 2.52 H new ATOM 0 HD11 ILE A 71 -3.953 3.349 4.344 1.00 33.02 H new ATOM 0 HD12 ILE A 71 -4.734 4.612 3.363 1.00 33.02 H new ATOM 0 HD13 ILE A 71 -3.165 4.931 4.140 1.00 33.02 H new ATOM 1226 N SER A 72 -6.715 9.174 6.206 1.00 51.43 N ATOM 1227 CA SER A 72 -6.681 10.639 6.278 1.00 32.21 C ATOM 1228 C SER A 72 -7.224 11.139 7.631 1.00 44.14 C ATOM 1229 O SER A 72 -6.649 12.041 8.242 1.00 13.40 O ATOM 1230 CB SER A 72 -7.498 11.232 5.113 1.00 41.22 C ATOM 1231 OG SER A 72 -7.434 12.654 5.100 1.00 44.12 O ATOM 0 H SER A 72 -7.352 8.814 5.495 1.00 51.43 H new ATOM 0 HA SER A 72 -5.646 10.970 6.194 1.00 32.21 H new ATOM 0 HB2 SER A 72 -7.121 10.841 4.168 1.00 41.22 H new ATOM 0 HB3 SER A 72 -8.537 10.915 5.198 1.00 41.22 H new ATOM 0 HG SER A 72 -7.961 12.998 4.349 1.00 44.12 H new ATOM 1237 N LYS A 73 -8.316 10.508 8.103 1.00 53.33 N ATOM 1238 CA LYS A 73 -8.970 10.872 9.375 1.00 71.31 C ATOM 1239 C LYS A 73 -8.168 10.356 10.586 1.00 23.40 C ATOM 1240 O LYS A 73 -8.099 11.022 11.621 1.00 33.14 O ATOM 1241 CB LYS A 73 -10.421 10.325 9.386 1.00 24.30 C ATOM 1242 CG LYS A 73 -11.319 10.925 8.275 1.00 11.42 C ATOM 1243 CD LYS A 73 -12.744 10.321 8.236 1.00 1.33 C ATOM 1244 CE LYS A 73 -12.758 8.817 7.912 1.00 4.41 C ATOM 1245 NZ LYS A 73 -14.145 8.314 7.713 1.00 21.52 N ATOM 0 H LYS A 73 -8.768 9.735 7.616 1.00 53.33 H new ATOM 0 HA LYS A 73 -9.002 11.959 9.455 1.00 71.31 H new ATOM 0 HB2 LYS A 73 -10.393 9.241 9.273 1.00 24.30 H new ATOM 0 HB3 LYS A 73 -10.871 10.532 10.357 1.00 24.30 H new ATOM 0 HG2 LYS A 73 -11.394 12.002 8.422 1.00 11.42 H new ATOM 0 HG3 LYS A 73 -10.840 10.768 7.308 1.00 11.42 H new ATOM 0 HD2 LYS A 73 -13.226 10.483 9.200 1.00 1.33 H new ATOM 0 HD3 LYS A 73 -13.336 10.852 7.491 1.00 1.33 H new ATOM 0 HE2 LYS A 73 -12.170 8.632 7.013 1.00 4.41 H new ATOM 0 HE3 LYS A 73 -12.283 8.265 8.723 1.00 4.41 H new ATOM 0 HZ1 LYS A 73 -14.174 7.291 7.900 1.00 21.52 H new ATOM 0 HZ2 LYS A 73 -14.789 8.804 8.366 1.00 21.52 H new ATOM 0 HZ3 LYS A 73 -14.443 8.495 6.733 1.00 21.52 H new ATOM 1259 N LEU A 74 -7.549 9.172 10.432 1.00 64.01 N ATOM 1260 CA LEU A 74 -6.678 8.562 11.463 1.00 55.43 C ATOM 1261 C LEU A 74 -5.281 9.236 11.480 1.00 41.30 C ATOM 1262 O LEU A 74 -4.514 9.074 12.438 1.00 35.02 O ATOM 1263 CB LEU A 74 -6.569 7.026 11.219 1.00 0.43 C ATOM 1264 CG LEU A 74 -7.903 6.208 11.370 1.00 63.10 C ATOM 1265 CD1 LEU A 74 -7.720 4.727 10.953 1.00 43.41 C ATOM 1266 CD2 LEU A 74 -8.466 6.321 12.799 1.00 50.44 C ATOM 0 H LEU A 74 -7.636 8.606 9.588 1.00 64.01 H new ATOM 0 HA LEU A 74 -7.124 8.724 12.444 1.00 55.43 H new ATOM 0 HB2 LEU A 74 -6.179 6.865 10.214 1.00 0.43 H new ATOM 0 HB3 LEU A 74 -5.836 6.619 11.915 1.00 0.43 H new ATOM 0 HG LEU A 74 -8.631 6.647 10.688 1.00 63.10 H new ATOM 0 HD11 LEU A 74 -8.665 4.196 11.072 1.00 43.41 H new ATOM 0 HD12 LEU A 74 -7.405 4.679 9.911 1.00 43.41 H new ATOM 0 HD13 LEU A 74 -6.961 4.263 11.583 1.00 43.41 H new ATOM 0 HD21 LEU A 74 -9.389 5.745 12.873 1.00 50.44 H new ATOM 0 HD22 LEU A 74 -7.737 5.931 13.509 1.00 50.44 H new ATOM 0 HD23 LEU A 74 -8.672 7.367 13.027 1.00 50.44 H new ATOM 1278 N GLY A 75 -4.973 9.987 10.399 1.00 23.32 N ATOM 1279 CA GLY A 75 -3.748 10.787 10.288 1.00 32.41 C ATOM 1280 C GLY A 75 -2.481 9.954 10.172 1.00 75.22 C ATOM 1281 O GLY A 75 -1.453 10.293 10.766 1.00 0.34 O ATOM 0 H GLY A 75 -5.575 10.051 9.578 1.00 23.32 H new ATOM 0 HA2 GLY A 75 -3.826 11.436 9.416 1.00 32.41 H new ATOM 0 HA3 GLY A 75 -3.668 11.435 11.161 1.00 32.41 H new ATOM 1285 N TYR A 76 -2.553 8.852 9.414 1.00 63.41 N ATOM 1286 CA TYR A 76 -1.411 7.937 9.237 1.00 21.22 C ATOM 1287 C TYR A 76 -0.444 8.449 8.166 1.00 1.05 C ATOM 1288 O TYR A 76 -0.876 8.945 7.117 1.00 62.32 O ATOM 1289 CB TYR A 76 -1.901 6.510 8.894 1.00 4.40 C ATOM 1290 CG TYR A 76 -2.662 5.802 10.017 1.00 55.20 C ATOM 1291 CD1 TYR A 76 -2.524 6.196 11.350 1.00 21.25 C ATOM 1292 CD2 TYR A 76 -3.497 4.722 9.741 1.00 13.45 C ATOM 1293 CE1 TYR A 76 -3.194 5.549 12.358 1.00 45.00 C ATOM 1294 CE2 TYR A 76 -4.169 4.066 10.747 1.00 2.04 C ATOM 1295 CZ TYR A 76 -4.017 4.483 12.050 1.00 33.20 C ATOM 1296 OH TYR A 76 -4.701 3.838 13.049 1.00 52.54 O ATOM 0 H TYR A 76 -3.393 8.569 8.910 1.00 63.41 H new ATOM 0 HA TYR A 76 -0.869 7.898 10.182 1.00 21.22 H new ATOM 0 HB2 TYR A 76 -2.545 6.564 8.016 1.00 4.40 H new ATOM 0 HB3 TYR A 76 -1.039 5.902 8.620 1.00 4.40 H new ATOM 0 HD1 TYR A 76 -1.877 7.026 11.592 1.00 21.25 H new ATOM 0 HD2 TYR A 76 -3.619 4.394 8.719 1.00 13.45 H new ATOM 0 HE1 TYR A 76 -3.079 5.870 13.383 1.00 45.00 H new ATOM 0 HE2 TYR A 76 -4.812 3.229 10.516 1.00 2.04 H new ATOM 0 HH TYR A 76 -4.080 3.282 13.565 1.00 52.54 H new ATOM 1306 N LYS A 77 0.862 8.324 8.450 1.00 41.02 N ATOM 1307 CA LYS A 77 1.927 8.716 7.520 1.00 63.32 C ATOM 1308 C LYS A 77 2.153 7.526 6.569 1.00 71.22 C ATOM 1309 O LYS A 77 2.902 6.607 6.878 1.00 0.04 O ATOM 1310 CB LYS A 77 3.218 9.104 8.328 1.00 43.15 C ATOM 1311 CG LYS A 77 4.211 10.049 7.603 1.00 25.02 C ATOM 1312 CD LYS A 77 4.985 9.394 6.438 1.00 30.43 C ATOM 1313 CE LYS A 77 5.837 10.409 5.669 1.00 4.13 C ATOM 1314 NZ LYS A 77 5.005 11.489 5.068 1.00 73.23 N ATOM 0 H LYS A 77 1.207 7.947 9.333 1.00 41.02 H new ATOM 0 HA LYS A 77 1.659 9.594 6.933 1.00 63.32 H new ATOM 0 HB2 LYS A 77 2.911 9.577 9.261 1.00 43.15 H new ATOM 0 HB3 LYS A 77 3.746 8.188 8.594 1.00 43.15 H new ATOM 0 HG2 LYS A 77 3.661 10.908 7.219 1.00 25.02 H new ATOM 0 HG3 LYS A 77 4.928 10.429 8.331 1.00 25.02 H new ATOM 0 HD2 LYS A 77 5.627 8.604 6.829 1.00 30.43 H new ATOM 0 HD3 LYS A 77 4.279 8.922 5.754 1.00 30.43 H new ATOM 0 HE2 LYS A 77 6.573 10.849 6.342 1.00 4.13 H new ATOM 0 HE3 LYS A 77 6.391 9.897 4.882 1.00 4.13 H new ATOM 0 HZ1 LYS A 77 5.553 11.981 4.334 1.00 73.23 H new ATOM 0 HZ2 LYS A 77 4.151 11.074 4.643 1.00 73.23 H new ATOM 0 HZ3 LYS A 77 4.729 12.167 5.807 1.00 73.23 H new ATOM 1328 N VAL A 78 1.462 7.543 5.425 1.00 14.52 N ATOM 1329 CA VAL A 78 1.369 6.377 4.522 1.00 2.01 C ATOM 1330 C VAL A 78 2.049 6.647 3.178 1.00 13.33 C ATOM 1331 O VAL A 78 1.849 7.695 2.567 1.00 44.13 O ATOM 1332 CB VAL A 78 -0.137 5.973 4.298 1.00 34.23 C ATOM 1333 CG1 VAL A 78 -0.291 4.803 3.303 1.00 12.22 C ATOM 1334 CG2 VAL A 78 -0.791 5.621 5.642 1.00 70.51 C ATOM 0 H VAL A 78 0.950 8.361 5.094 1.00 14.52 H new ATOM 0 HA VAL A 78 1.893 5.549 5.000 1.00 2.01 H new ATOM 0 HB VAL A 78 -0.643 6.833 3.859 1.00 34.23 H new ATOM 0 HG11 VAL A 78 -1.348 4.563 3.184 1.00 12.22 H new ATOM 0 HG12 VAL A 78 0.128 5.089 2.338 1.00 12.22 H new ATOM 0 HG13 VAL A 78 0.238 3.929 3.684 1.00 12.22 H new ATOM 0 HG21 VAL A 78 -1.832 5.343 5.478 1.00 70.51 H new ATOM 0 HG22 VAL A 78 -0.259 4.785 6.098 1.00 70.51 H new ATOM 0 HG23 VAL A 78 -0.746 6.485 6.306 1.00 70.51 H new ATOM 1344 N PHE A 79 2.858 5.677 2.744 1.00 21.02 N ATOM 1345 CA PHE A 79 3.468 5.645 1.407 1.00 52.44 C ATOM 1346 C PHE A 79 2.631 4.691 0.529 1.00 11.31 C ATOM 1347 O PHE A 79 2.036 3.752 1.055 1.00 74.35 O ATOM 1348 CB PHE A 79 4.923 5.134 1.522 1.00 50.33 C ATOM 1349 CG PHE A 79 5.820 5.958 2.456 1.00 22.44 C ATOM 1350 CD1 PHE A 79 6.383 7.161 2.028 1.00 0.03 C ATOM 1351 CD2 PHE A 79 6.092 5.534 3.762 1.00 62.44 C ATOM 1352 CE1 PHE A 79 7.189 7.904 2.872 1.00 75.01 C ATOM 1353 CE2 PHE A 79 6.900 6.280 4.601 1.00 1.25 C ATOM 1354 CZ PHE A 79 7.443 7.466 4.156 1.00 4.54 C ATOM 0 H PHE A 79 3.114 4.876 3.321 1.00 21.02 H new ATOM 0 HA PHE A 79 3.486 6.640 0.962 1.00 52.44 H new ATOM 0 HB2 PHE A 79 4.905 4.103 1.874 1.00 50.33 H new ATOM 0 HB3 PHE A 79 5.370 5.123 0.528 1.00 50.33 H new ATOM 0 HD1 PHE A 79 6.187 7.516 1.027 1.00 0.03 H new ATOM 0 HD2 PHE A 79 5.664 4.609 4.120 1.00 62.44 H new ATOM 0 HE1 PHE A 79 7.621 8.831 2.525 1.00 75.01 H new ATOM 0 HE2 PHE A 79 7.105 5.934 5.603 1.00 1.25 H new ATOM 0 HZ PHE A 79 8.068 8.053 4.813 1.00 4.54 H new ATOM 1364 N LEU A 80 2.594 4.913 -0.793 1.00 25.35 N ATOM 1365 CA LEU A 80 1.719 4.133 -1.704 1.00 30.21 C ATOM 1366 C LEU A 80 2.486 3.630 -2.942 1.00 14.24 C ATOM 1367 O LEU A 80 3.205 4.388 -3.591 1.00 63.41 O ATOM 1368 CB LEU A 80 0.488 4.974 -2.145 1.00 51.10 C ATOM 1369 CG LEU A 80 -0.490 4.277 -3.159 1.00 54.03 C ATOM 1370 CD1 LEU A 80 -1.096 2.981 -2.589 1.00 15.45 C ATOM 1371 CD2 LEU A 80 -1.591 5.238 -3.622 1.00 24.23 C ATOM 0 H LEU A 80 3.156 5.623 -1.262 1.00 25.35 H new ATOM 0 HA LEU A 80 1.372 3.263 -1.147 1.00 30.21 H new ATOM 0 HB2 LEU A 80 -0.078 5.249 -1.255 1.00 51.10 H new ATOM 0 HB3 LEU A 80 0.847 5.900 -2.594 1.00 51.10 H new ATOM 0 HG LEU A 80 0.106 3.998 -4.028 1.00 54.03 H new ATOM 0 HD11 LEU A 80 -1.764 2.537 -3.327 1.00 15.45 H new ATOM 0 HD12 LEU A 80 -0.297 2.278 -2.354 1.00 15.45 H new ATOM 0 HD13 LEU A 80 -1.656 3.209 -1.682 1.00 15.45 H new ATOM 0 HD21 LEU A 80 -2.250 4.725 -4.322 1.00 24.23 H new ATOM 0 HD22 LEU A 80 -2.167 5.573 -2.760 1.00 24.23 H new ATOM 0 HD23 LEU A 80 -1.139 6.099 -4.114 1.00 24.23 H new ATOM 1383 N LEU A 81 2.296 2.329 -3.245 1.00 61.35 N ATOM 1384 CA LEU A 81 2.775 1.686 -4.470 1.00 34.23 C ATOM 1385 C LEU A 81 1.572 1.057 -5.201 1.00 5.44 C ATOM 1386 O LEU A 81 0.931 0.141 -4.689 1.00 42.54 O ATOM 1387 CB LEU A 81 3.846 0.600 -4.158 1.00 11.44 C ATOM 1388 CG LEU A 81 4.344 -0.236 -5.388 1.00 20.32 C ATOM 1389 CD1 LEU A 81 4.910 0.666 -6.504 1.00 65.41 C ATOM 1390 CD2 LEU A 81 5.362 -1.313 -4.955 1.00 12.12 C ATOM 0 H LEU A 81 1.795 1.690 -2.628 1.00 61.35 H new ATOM 0 HA LEU A 81 3.247 2.436 -5.104 1.00 34.23 H new ATOM 0 HB2 LEU A 81 4.707 1.086 -3.700 1.00 11.44 H new ATOM 0 HB3 LEU A 81 3.436 -0.086 -3.417 1.00 11.44 H new ATOM 0 HG LEU A 81 3.478 -0.750 -5.805 1.00 20.32 H new ATOM 0 HD11 LEU A 81 5.244 0.048 -7.337 1.00 65.41 H new ATOM 0 HD12 LEU A 81 4.134 1.350 -6.848 1.00 65.41 H new ATOM 0 HD13 LEU A 81 5.753 1.239 -6.117 1.00 65.41 H new ATOM 0 HD21 LEU A 81 5.689 -1.877 -5.829 1.00 12.12 H new ATOM 0 HD22 LEU A 81 6.223 -0.834 -4.489 1.00 12.12 H new ATOM 0 HD23 LEU A 81 4.893 -1.990 -4.241 1.00 12.12 H new ATOM 1402 N LEU A 82 1.264 1.597 -6.383 1.00 32.20 N ATOM 1403 CA LEU A 82 0.259 1.038 -7.300 1.00 42.31 C ATOM 1404 C LEU A 82 0.977 0.253 -8.421 1.00 4.33 C ATOM 1405 O LEU A 82 1.981 0.731 -8.968 1.00 15.23 O ATOM 1406 CB LEU A 82 -0.587 2.191 -7.909 1.00 55.15 C ATOM 1407 CG LEU A 82 -1.450 3.036 -6.921 1.00 41.32 C ATOM 1408 CD1 LEU A 82 -2.138 4.216 -7.647 1.00 75.31 C ATOM 1409 CD2 LEU A 82 -2.488 2.160 -6.200 1.00 51.22 C ATOM 0 H LEU A 82 1.709 2.444 -6.737 1.00 32.20 H new ATOM 0 HA LEU A 82 -0.404 0.364 -6.758 1.00 42.31 H new ATOM 0 HB2 LEU A 82 0.089 2.868 -8.432 1.00 55.15 H new ATOM 0 HB3 LEU A 82 -1.252 1.763 -8.659 1.00 55.15 H new ATOM 0 HG LEU A 82 -0.778 3.449 -6.169 1.00 41.32 H new ATOM 0 HD11 LEU A 82 -2.732 4.786 -6.933 1.00 75.31 H new ATOM 0 HD12 LEU A 82 -1.380 4.864 -8.088 1.00 75.31 H new ATOM 0 HD13 LEU A 82 -2.787 3.831 -8.433 1.00 75.31 H new ATOM 0 HD21 LEU A 82 -3.074 2.777 -5.518 1.00 51.22 H new ATOM 0 HD22 LEU A 82 -3.150 1.701 -6.934 1.00 51.22 H new ATOM 0 HD23 LEU A 82 -1.977 1.380 -5.635 1.00 51.22 H new ATOM 1421 N GLN A 83 0.460 -0.941 -8.758 1.00 43.13 N ATOM 1422 CA GLN A 83 0.999 -1.769 -9.844 1.00 21.14 C ATOM 1423 C GLN A 83 -0.149 -2.443 -10.602 1.00 13.34 C ATOM 1424 O GLN A 83 -0.896 -3.251 -10.035 1.00 14.23 O ATOM 1425 CB GLN A 83 1.984 -2.841 -9.304 1.00 61.12 C ATOM 1426 CG GLN A 83 2.683 -3.662 -10.416 1.00 44.24 C ATOM 1427 CD GLN A 83 3.693 -4.681 -9.900 1.00 23.32 C ATOM 1428 OE1 GLN A 83 4.267 -4.521 -8.830 1.00 24.30 O ATOM 1429 NE2 GLN A 83 3.936 -5.723 -10.674 1.00 34.24 N ATOM 0 H GLN A 83 -0.342 -1.356 -8.284 1.00 43.13 H new ATOM 0 HA GLN A 83 1.552 -1.120 -10.523 1.00 21.14 H new ATOM 0 HB2 GLN A 83 2.743 -2.350 -8.696 1.00 61.12 H new ATOM 0 HB3 GLN A 83 1.442 -3.522 -8.648 1.00 61.12 H new ATOM 0 HG2 GLN A 83 1.924 -4.183 -10.999 1.00 44.24 H new ATOM 0 HG3 GLN A 83 3.190 -2.976 -11.094 1.00 44.24 H new ATOM 0 HE21 GLN A 83 3.441 -5.827 -11.560 1.00 34.24 H new ATOM 0 HE22 GLN A 83 4.619 -6.424 -10.386 1.00 34.24 H new ATOM 1438 N ASP A 84 -0.291 -2.075 -11.875 1.00 2.55 N ATOM 1439 CA ASP A 84 -1.224 -2.709 -12.816 1.00 5.42 C ATOM 1440 C ASP A 84 -0.489 -2.952 -14.138 1.00 63.40 C ATOM 1441 O ASP A 84 0.426 -2.193 -14.495 1.00 72.02 O ATOM 1442 CB ASP A 84 -2.471 -1.816 -13.064 1.00 32.54 C ATOM 1443 CG ASP A 84 -3.312 -1.565 -11.802 1.00 12.21 C ATOM 1444 OD1 ASP A 84 -3.931 -2.527 -11.291 1.00 45.04 O ATOM 1445 OD2 ASP A 84 -3.394 -0.408 -11.328 1.00 71.43 O ATOM 0 H ASP A 84 0.247 -1.315 -12.292 1.00 2.55 H new ATOM 0 HA ASP A 84 -1.571 -3.651 -12.392 1.00 5.42 H new ATOM 0 HB2 ASP A 84 -2.146 -0.858 -13.470 1.00 32.54 H new ATOM 0 HB3 ASP A 84 -3.099 -2.286 -13.821 1.00 32.54 H new ATOM 1450 N GLN A 85 -0.888 -4.016 -14.847 1.00 54.23 N ATOM 1451 CA GLN A 85 -0.439 -4.284 -16.223 1.00 5.54 C ATOM 1452 C GLN A 85 -1.031 -3.237 -17.177 1.00 13.20 C ATOM 1453 O GLN A 85 -0.411 -2.854 -18.176 1.00 5.51 O ATOM 1454 CB GLN A 85 -0.869 -5.713 -16.657 1.00 43.01 C ATOM 1455 CG GLN A 85 -0.105 -6.862 -15.969 1.00 62.23 C ATOM 1456 CD GLN A 85 1.348 -6.962 -16.436 1.00 13.30 C ATOM 1457 OE1 GLN A 85 2.244 -6.349 -15.863 1.00 50.30 O ATOM 1458 NE2 GLN A 85 1.584 -7.727 -17.494 1.00 74.31 N ATOM 0 H GLN A 85 -1.533 -4.718 -14.483 1.00 54.23 H new ATOM 0 HA GLN A 85 0.649 -4.222 -16.261 1.00 5.54 H new ATOM 0 HB2 GLN A 85 -1.933 -5.833 -16.455 1.00 43.01 H new ATOM 0 HB3 GLN A 85 -0.737 -5.804 -17.735 1.00 43.01 H new ATOM 0 HG2 GLN A 85 -0.127 -6.713 -14.889 1.00 62.23 H new ATOM 0 HG3 GLN A 85 -0.614 -7.805 -16.171 1.00 62.23 H new ATOM 0 HE21 GLN A 85 0.816 -8.223 -17.946 1.00 74.31 H new ATOM 0 HE22 GLN A 85 2.534 -7.819 -17.855 1.00 74.31 H new ATOM 1467 N ASP A 86 -2.243 -2.773 -16.843 1.00 60.51 N ATOM 1468 CA ASP A 86 -2.947 -1.743 -17.600 1.00 71.51 C ATOM 1469 C ASP A 86 -2.570 -0.378 -17.025 1.00 23.01 C ATOM 1470 O ASP A 86 -3.123 0.067 -16.016 1.00 30.25 O ATOM 1471 CB ASP A 86 -4.471 -1.988 -17.557 1.00 1.41 C ATOM 1472 CG ASP A 86 -4.886 -3.201 -18.396 1.00 30.35 C ATOM 1473 OD1 ASP A 86 -4.829 -3.108 -19.637 1.00 1.24 O ATOM 1474 OD2 ASP A 86 -5.254 -4.254 -17.834 1.00 23.52 O ATOM 0 H ASP A 86 -2.762 -3.109 -16.032 1.00 60.51 H new ATOM 0 HA ASP A 86 -2.654 -1.776 -18.649 1.00 71.51 H new ATOM 0 HB2 ASP A 86 -4.784 -2.139 -16.524 1.00 1.41 H new ATOM 0 HB3 ASP A 86 -4.990 -1.102 -17.921 1.00 1.41 H new ATOM 1479 N GLU A 87 -1.587 0.263 -17.668 1.00 11.45 N ATOM 1480 CA GLU A 87 -0.978 1.513 -17.192 1.00 5.12 C ATOM 1481 C GLU A 87 -1.893 2.729 -17.413 1.00 10.13 C ATOM 1482 O GLU A 87 -1.641 3.790 -16.849 1.00 41.13 O ATOM 1483 CB GLU A 87 0.388 1.725 -17.881 1.00 72.00 C ATOM 1484 CG GLU A 87 1.338 0.517 -17.770 1.00 20.21 C ATOM 1485 CD GLU A 87 2.708 0.781 -18.404 1.00 4.12 C ATOM 1486 OE1 GLU A 87 3.597 1.299 -17.710 1.00 0.33 O ATOM 1487 OE2 GLU A 87 2.895 0.497 -19.604 1.00 44.24 O ATOM 0 H GLU A 87 -1.187 -0.075 -18.543 1.00 11.45 H new ATOM 0 HA GLU A 87 -0.831 1.422 -16.116 1.00 5.12 H new ATOM 0 HB2 GLU A 87 0.221 1.948 -18.935 1.00 72.00 H new ATOM 0 HB3 GLU A 87 0.873 2.598 -17.443 1.00 72.00 H new ATOM 0 HG2 GLU A 87 1.472 0.261 -16.719 1.00 20.21 H new ATOM 0 HG3 GLU A 87 0.879 -0.346 -18.252 1.00 20.21 H new ATOM 1494 N ASN A 88 -2.940 2.561 -18.241 1.00 21.42 N ATOM 1495 CA ASN A 88 -3.950 3.608 -18.503 1.00 53.51 C ATOM 1496 C ASN A 88 -4.805 3.878 -17.247 1.00 34.51 C ATOM 1497 O ASN A 88 -4.872 5.018 -16.769 1.00 23.01 O ATOM 1498 CB ASN A 88 -4.848 3.207 -19.711 1.00 42.21 C ATOM 1499 CG ASN A 88 -4.142 3.321 -21.068 1.00 73.04 C ATOM 1500 OD1 ASN A 88 -3.237 4.139 -21.253 1.00 43.13 O ATOM 1501 ND2 ASN A 88 -4.565 2.523 -22.032 1.00 12.31 N ATOM 0 H ASN A 88 -3.112 1.694 -18.750 1.00 21.42 H new ATOM 0 HA ASN A 88 -3.428 4.531 -18.755 1.00 53.51 H new ATOM 0 HB2 ASN A 88 -5.189 2.181 -19.574 1.00 42.21 H new ATOM 0 HB3 ASN A 88 -5.735 3.840 -19.719 1.00 42.21 H new ATOM 0 HD21 ASN A 88 -4.141 2.573 -22.959 1.00 12.31 H new ATOM 0 HD22 ASN A 88 -5.315 1.856 -21.850 1.00 12.31 H new ATOM 1508 N GLU A 89 -5.431 2.808 -16.710 1.00 12.41 N ATOM 1509 CA GLU A 89 -6.254 2.892 -15.479 1.00 71.50 C ATOM 1510 C GLU A 89 -5.367 3.191 -14.254 1.00 24.03 C ATOM 1511 O GLU A 89 -5.784 3.890 -13.326 1.00 72.21 O ATOM 1512 CB GLU A 89 -7.054 1.580 -15.269 1.00 43.04 C ATOM 1513 CG GLU A 89 -6.190 0.311 -15.120 1.00 51.13 C ATOM 1514 CD GLU A 89 -7.009 -0.987 -15.043 1.00 13.33 C ATOM 1515 OE1 GLU A 89 -7.662 -1.337 -16.044 1.00 65.15 O ATOM 1516 OE2 GLU A 89 -7.000 -1.661 -13.998 1.00 4.24 O ATOM 0 H GLU A 89 -5.383 1.871 -17.110 1.00 12.41 H new ATOM 0 HA GLU A 89 -6.964 3.711 -15.595 1.00 71.50 H new ATOM 0 HB2 GLU A 89 -7.673 1.687 -14.378 1.00 43.04 H new ATOM 0 HB3 GLU A 89 -7.730 1.445 -16.113 1.00 43.04 H new ATOM 0 HG2 GLU A 89 -5.504 0.248 -15.965 1.00 51.13 H new ATOM 0 HG3 GLU A 89 -5.581 0.400 -14.220 1.00 51.13 H new ATOM 1523 N LEU A 90 -4.135 2.642 -14.292 1.00 51.54 N ATOM 1524 CA LEU A 90 -3.092 2.871 -13.282 1.00 43.44 C ATOM 1525 C LEU A 90 -2.708 4.365 -13.223 1.00 72.22 C ATOM 1526 O LEU A 90 -2.586 4.922 -12.130 1.00 42.14 O ATOM 1527 CB LEU A 90 -1.865 1.970 -13.619 1.00 23.14 C ATOM 1528 CG LEU A 90 -0.519 2.242 -12.868 1.00 32.03 C ATOM 1529 CD1 LEU A 90 -0.697 2.242 -11.345 1.00 44.23 C ATOM 1530 CD2 LEU A 90 0.585 1.250 -13.306 1.00 54.14 C ATOM 0 H LEU A 90 -3.836 2.017 -15.041 1.00 51.54 H new ATOM 0 HA LEU A 90 -3.465 2.603 -12.293 1.00 43.44 H new ATOM 0 HB2 LEU A 90 -2.149 0.935 -13.428 1.00 23.14 H new ATOM 0 HB3 LEU A 90 -1.673 2.056 -14.688 1.00 23.14 H new ATOM 0 HG LEU A 90 -0.196 3.244 -13.151 1.00 32.03 H new ATOM 0 HD11 LEU A 90 0.263 2.435 -10.866 1.00 44.23 H new ATOM 0 HD12 LEU A 90 -1.406 3.020 -11.062 1.00 44.23 H new ATOM 0 HD13 LEU A 90 -1.075 1.272 -11.023 1.00 44.23 H new ATOM 0 HD21 LEU A 90 1.506 1.468 -12.765 1.00 54.14 H new ATOM 0 HD22 LEU A 90 0.267 0.231 -13.085 1.00 54.14 H new ATOM 0 HD23 LEU A 90 0.761 1.351 -14.377 1.00 54.14 H new ATOM 1542 N GLU A 91 -2.564 5.002 -14.406 1.00 1.32 N ATOM 1543 CA GLU A 91 -2.182 6.422 -14.519 1.00 55.20 C ATOM 1544 C GLU A 91 -3.270 7.312 -13.920 1.00 50.00 C ATOM 1545 O GLU A 91 -2.993 8.097 -13.017 1.00 12.41 O ATOM 1546 CB GLU A 91 -1.915 6.795 -16.010 1.00 61.05 C ATOM 1547 CG GLU A 91 -1.531 8.270 -16.275 1.00 15.13 C ATOM 1548 CD GLU A 91 -0.313 8.750 -15.460 1.00 53.54 C ATOM 1549 OE1 GLU A 91 0.745 8.098 -15.508 1.00 55.14 O ATOM 1550 OE2 GLU A 91 -0.405 9.777 -14.768 1.00 63.45 O ATOM 0 H GLU A 91 -2.710 4.545 -15.306 1.00 1.32 H new ATOM 0 HA GLU A 91 -1.261 6.585 -13.958 1.00 55.20 H new ATOM 0 HB2 GLU A 91 -1.115 6.157 -16.387 1.00 61.05 H new ATOM 0 HB3 GLU A 91 -2.809 6.562 -16.589 1.00 61.05 H new ATOM 0 HG2 GLU A 91 -1.319 8.396 -17.337 1.00 15.13 H new ATOM 0 HG3 GLU A 91 -2.385 8.906 -16.043 1.00 15.13 H new ATOM 1557 N GLU A 92 -4.515 7.125 -14.412 1.00 50.41 N ATOM 1558 CA GLU A 92 -5.697 7.870 -13.938 1.00 11.31 C ATOM 1559 C GLU A 92 -5.813 7.839 -12.405 1.00 13.30 C ATOM 1560 O GLU A 92 -5.744 8.878 -11.748 1.00 64.41 O ATOM 1561 CB GLU A 92 -6.985 7.283 -14.582 1.00 23.51 C ATOM 1562 CG GLU A 92 -7.086 7.460 -16.111 1.00 32.21 C ATOM 1563 CD GLU A 92 -7.341 8.916 -16.544 1.00 54.55 C ATOM 1564 OE1 GLU A 92 -6.380 9.710 -16.624 1.00 70.21 O ATOM 1565 OE2 GLU A 92 -8.512 9.276 -16.795 1.00 52.44 O ATOM 0 H GLU A 92 -4.726 6.452 -15.149 1.00 50.41 H new ATOM 0 HA GLU A 92 -5.579 8.911 -14.240 1.00 11.31 H new ATOM 0 HB2 GLU A 92 -7.037 6.219 -14.350 1.00 23.51 H new ATOM 0 HB3 GLU A 92 -7.852 7.753 -14.118 1.00 23.51 H new ATOM 0 HG2 GLU A 92 -6.163 7.108 -16.572 1.00 32.21 H new ATOM 0 HG3 GLU A 92 -7.891 6.830 -16.490 1.00 32.21 H new ATOM 1572 N PHE A 93 -5.891 6.614 -11.864 1.00 41.21 N ATOM 1573 CA PHE A 93 -6.109 6.357 -10.430 1.00 24.24 C ATOM 1574 C PHE A 93 -4.962 6.934 -9.563 1.00 13.12 C ATOM 1575 O PHE A 93 -5.195 7.409 -8.443 1.00 72.01 O ATOM 1576 CB PHE A 93 -6.253 4.829 -10.215 1.00 4.14 C ATOM 1577 CG PHE A 93 -6.754 4.436 -8.837 1.00 42.13 C ATOM 1578 CD1 PHE A 93 -8.053 4.762 -8.447 1.00 62.40 C ATOM 1579 CD2 PHE A 93 -5.945 3.746 -7.938 1.00 23.44 C ATOM 1580 CE1 PHE A 93 -8.524 4.412 -7.201 1.00 15.11 C ATOM 1581 CE2 PHE A 93 -6.420 3.399 -6.696 1.00 52.43 C ATOM 1582 CZ PHE A 93 -7.710 3.733 -6.327 1.00 33.44 C ATOM 0 H PHE A 93 -5.803 5.761 -12.417 1.00 41.21 H new ATOM 0 HA PHE A 93 -7.022 6.861 -10.114 1.00 24.24 H new ATOM 0 HB2 PHE A 93 -6.937 4.431 -10.964 1.00 4.14 H new ATOM 0 HB3 PHE A 93 -5.285 4.357 -10.385 1.00 4.14 H new ATOM 0 HD1 PHE A 93 -8.697 5.295 -9.130 1.00 62.40 H new ATOM 0 HD2 PHE A 93 -4.936 3.481 -8.219 1.00 23.44 H new ATOM 0 HE1 PHE A 93 -9.532 4.671 -6.911 1.00 15.11 H new ATOM 0 HE2 PHE A 93 -5.784 2.864 -6.006 1.00 52.43 H new ATOM 0 HZ PHE A 93 -8.079 3.459 -5.349 1.00 33.44 H new ATOM 1592 N LYS A 94 -3.736 6.915 -10.127 1.00 33.10 N ATOM 1593 CA LYS A 94 -2.525 7.488 -9.507 1.00 10.30 C ATOM 1594 C LYS A 94 -2.715 9.008 -9.296 1.00 53.53 C ATOM 1595 O LYS A 94 -2.458 9.511 -8.198 1.00 44.01 O ATOM 1596 CB LYS A 94 -1.288 7.172 -10.427 1.00 64.31 C ATOM 1597 CG LYS A 94 0.145 7.564 -9.930 1.00 12.22 C ATOM 1598 CD LYS A 94 0.483 9.076 -9.993 1.00 60.00 C ATOM 1599 CE LYS A 94 0.241 9.683 -11.388 1.00 33.01 C ATOM 1600 NZ LYS A 94 1.146 9.136 -12.425 1.00 32.31 N ATOM 0 H LYS A 94 -3.558 6.495 -11.039 1.00 33.10 H new ATOM 0 HA LYS A 94 -2.348 7.043 -8.528 1.00 10.30 H new ATOM 0 HB2 LYS A 94 -1.287 6.099 -10.621 1.00 64.31 H new ATOM 0 HB3 LYS A 94 -1.453 7.669 -11.383 1.00 64.31 H new ATOM 0 HG2 LYS A 94 0.258 7.227 -8.900 1.00 12.22 H new ATOM 0 HG3 LYS A 94 0.878 7.020 -10.526 1.00 12.22 H new ATOM 0 HD2 LYS A 94 -0.121 9.610 -9.259 1.00 60.00 H new ATOM 0 HD3 LYS A 94 1.526 9.223 -9.714 1.00 60.00 H new ATOM 0 HE2 LYS A 94 -0.792 9.500 -11.683 1.00 33.01 H new ATOM 0 HE3 LYS A 94 0.371 10.764 -11.335 1.00 33.01 H new ATOM 0 HZ1 LYS A 94 1.452 9.902 -13.058 1.00 32.31 H new ATOM 0 HZ2 LYS A 94 1.978 8.710 -11.970 1.00 32.31 H new ATOM 0 HZ3 LYS A 94 0.644 8.411 -12.977 1.00 32.31 H new ATOM 1614 N ARG A 95 -3.190 9.710 -10.359 1.00 62.45 N ATOM 1615 CA ARG A 95 -3.304 11.198 -10.384 1.00 43.14 C ATOM 1616 C ARG A 95 -4.253 11.738 -9.293 1.00 74.44 C ATOM 1617 O ARG A 95 -4.009 12.815 -8.741 1.00 4.01 O ATOM 1618 CB ARG A 95 -3.767 11.697 -11.789 1.00 71.50 C ATOM 1619 CG ARG A 95 -2.872 11.202 -12.948 1.00 52.41 C ATOM 1620 CD ARG A 95 -3.250 11.760 -14.332 1.00 15.11 C ATOM 1621 NE ARG A 95 -2.784 13.146 -14.513 1.00 72.10 N ATOM 1622 CZ ARG A 95 -1.550 13.505 -14.914 1.00 32.13 C ATOM 1623 NH1 ARG A 95 -0.610 12.599 -15.193 1.00 34.21 N ATOM 1624 NH2 ARG A 95 -1.249 14.788 -15.022 1.00 51.40 N ATOM 0 H ARG A 95 -3.504 9.265 -11.221 1.00 62.45 H new ATOM 0 HA ARG A 95 -2.308 11.588 -10.174 1.00 43.14 H new ATOM 0 HB2 ARG A 95 -4.790 11.365 -11.964 1.00 71.50 H new ATOM 0 HB3 ARG A 95 -3.781 12.787 -11.792 1.00 71.50 H new ATOM 0 HG2 ARG A 95 -1.838 11.471 -12.732 1.00 52.41 H new ATOM 0 HG3 ARG A 95 -2.917 10.114 -12.985 1.00 52.41 H new ATOM 0 HD2 ARG A 95 -2.819 11.128 -15.108 1.00 15.11 H new ATOM 0 HD3 ARG A 95 -4.332 11.722 -14.455 1.00 15.11 H new ATOM 0 HE ARG A 95 -3.450 13.894 -14.319 1.00 72.10 H new ATOM 0 HH11 ARG A 95 -0.818 11.604 -15.104 1.00 34.21 H new ATOM 0 HH12 ARG A 95 0.316 12.901 -15.495 1.00 34.21 H new ATOM 0 HH21 ARG A 95 -1.949 15.496 -14.802 1.00 51.40 H new ATOM 0 HH22 ARG A 95 -0.317 15.069 -15.325 1.00 51.40 H new ATOM 1638 N LYS A 96 -5.315 10.966 -8.979 1.00 21.23 N ATOM 1639 CA LYS A 96 -6.300 11.336 -7.935 1.00 15.33 C ATOM 1640 C LYS A 96 -5.607 11.393 -6.563 1.00 32.12 C ATOM 1641 O LYS A 96 -5.652 12.409 -5.869 1.00 63.30 O ATOM 1642 CB LYS A 96 -7.494 10.320 -7.887 1.00 11.51 C ATOM 1643 CG LYS A 96 -8.583 10.503 -8.975 1.00 11.31 C ATOM 1644 CD LYS A 96 -8.057 10.298 -10.404 1.00 73.04 C ATOM 1645 CE LYS A 96 -9.153 10.371 -11.470 1.00 74.04 C ATOM 1646 NZ LYS A 96 -9.839 11.687 -11.477 1.00 11.54 N ATOM 0 H LYS A 96 -5.515 10.076 -9.436 1.00 21.23 H new ATOM 0 HA LYS A 96 -6.704 12.317 -8.184 1.00 15.33 H new ATOM 0 HB2 LYS A 96 -7.091 9.311 -7.970 1.00 11.51 H new ATOM 0 HB3 LYS A 96 -7.969 10.394 -6.909 1.00 11.51 H new ATOM 0 HG2 LYS A 96 -9.394 9.798 -8.789 1.00 11.31 H new ATOM 0 HG3 LYS A 96 -9.005 11.504 -8.891 1.00 11.31 H new ATOM 0 HD2 LYS A 96 -7.302 11.054 -10.617 1.00 73.04 H new ATOM 0 HD3 LYS A 96 -7.564 9.328 -10.466 1.00 73.04 H new ATOM 0 HE2 LYS A 96 -8.716 10.185 -12.451 1.00 74.04 H new ATOM 0 HE3 LYS A 96 -9.884 9.583 -11.292 1.00 74.04 H new ATOM 0 HZ1 LYS A 96 -10.538 11.710 -12.247 1.00 11.54 H new ATOM 0 HZ2 LYS A 96 -10.321 11.832 -10.567 1.00 11.54 H new ATOM 0 HZ3 LYS A 96 -9.139 12.443 -11.622 1.00 11.54 H new ATOM 1660 N ILE A 97 -4.905 10.294 -6.241 1.00 61.12 N ATOM 1661 CA ILE A 97 -4.284 10.067 -4.923 1.00 42.31 C ATOM 1662 C ILE A 97 -3.040 10.962 -4.734 1.00 31.13 C ATOM 1663 O ILE A 97 -2.723 11.392 -3.614 1.00 73.11 O ATOM 1664 CB ILE A 97 -3.899 8.557 -4.744 1.00 14.43 C ATOM 1665 CG1 ILE A 97 -5.112 7.637 -5.110 1.00 61.44 C ATOM 1666 CG2 ILE A 97 -3.402 8.285 -3.300 1.00 70.22 C ATOM 1667 CD1 ILE A 97 -4.768 6.167 -5.232 1.00 62.44 C ATOM 0 H ILE A 97 -4.750 9.528 -6.896 1.00 61.12 H new ATOM 0 HA ILE A 97 -5.015 10.333 -4.160 1.00 42.31 H new ATOM 0 HB ILE A 97 -3.081 8.323 -5.426 1.00 14.43 H new ATOM 0 HG12 ILE A 97 -5.884 7.755 -4.350 1.00 61.44 H new ATOM 0 HG13 ILE A 97 -5.539 7.977 -6.053 1.00 61.44 H new ATOM 0 HG21 ILE A 97 -3.140 7.232 -3.198 1.00 70.22 H new ATOM 0 HG22 ILE A 97 -2.525 8.898 -3.096 1.00 70.22 H new ATOM 0 HG23 ILE A 97 -4.191 8.533 -2.591 1.00 70.22 H new ATOM 0 HD11 ILE A 97 -5.665 5.603 -5.487 1.00 62.44 H new ATOM 0 HD12 ILE A 97 -4.020 6.032 -6.013 1.00 62.44 H new ATOM 0 HD13 ILE A 97 -4.371 5.806 -4.283 1.00 62.44 H new ATOM 1679 N GLU A 98 -2.369 11.265 -5.860 1.00 14.53 N ATOM 1680 CA GLU A 98 -1.207 12.167 -5.898 1.00 51.23 C ATOM 1681 C GLU A 98 -1.671 13.588 -5.517 1.00 62.45 C ATOM 1682 O GLU A 98 -1.008 14.287 -4.741 1.00 41.44 O ATOM 1683 CB GLU A 98 -0.545 12.098 -7.315 1.00 43.13 C ATOM 1684 CG GLU A 98 0.788 12.884 -7.501 1.00 4.51 C ATOM 1685 CD GLU A 98 0.601 14.361 -7.914 1.00 10.33 C ATOM 1686 OE1 GLU A 98 0.267 14.614 -9.090 1.00 60.44 O ATOM 1687 OE2 GLU A 98 0.763 15.268 -7.072 1.00 52.52 O ATOM 0 H GLU A 98 -2.620 10.888 -6.774 1.00 14.53 H new ATOM 0 HA GLU A 98 -0.446 11.866 -5.178 1.00 51.23 H new ATOM 0 HB2 GLU A 98 -0.359 11.051 -7.554 1.00 43.13 H new ATOM 0 HB3 GLU A 98 -1.264 12.469 -8.045 1.00 43.13 H new ATOM 0 HG2 GLU A 98 1.351 12.848 -6.568 1.00 4.51 H new ATOM 0 HG3 GLU A 98 1.391 12.381 -8.257 1.00 4.51 H new ATOM 1694 N SER A 99 -2.877 13.954 -6.003 1.00 60.24 N ATOM 1695 CA SER A 99 -3.506 15.256 -5.725 1.00 74.43 C ATOM 1696 C SER A 99 -4.032 15.325 -4.269 1.00 23.42 C ATOM 1697 O SER A 99 -4.188 16.420 -3.721 1.00 14.43 O ATOM 1698 CB SER A 99 -4.653 15.510 -6.736 1.00 34.13 C ATOM 1699 OG SER A 99 -5.261 16.786 -6.557 1.00 0.02 O ATOM 0 H SER A 99 -3.441 13.350 -6.601 1.00 60.24 H new ATOM 0 HA SER A 99 -2.753 16.036 -5.839 1.00 74.43 H new ATOM 0 HB2 SER A 99 -4.262 15.436 -7.751 1.00 34.13 H new ATOM 0 HB3 SER A 99 -5.409 14.732 -6.627 1.00 34.13 H new ATOM 0 HG SER A 99 -5.977 16.903 -7.216 1.00 0.02 H new ATOM 1705 N GLN A 100 -4.304 14.147 -3.655 1.00 44.14 N ATOM 1706 CA GLN A 100 -4.744 14.045 -2.234 1.00 23.13 C ATOM 1707 C GLN A 100 -3.577 14.325 -1.257 1.00 43.33 C ATOM 1708 O GLN A 100 -3.798 14.464 -0.049 1.00 55.13 O ATOM 1709 CB GLN A 100 -5.357 12.646 -1.936 1.00 43.44 C ATOM 1710 CG GLN A 100 -6.568 12.272 -2.810 1.00 71.33 C ATOM 1711 CD GLN A 100 -7.122 10.863 -2.557 1.00 54.15 C ATOM 1712 OE1 GLN A 100 -6.402 9.957 -2.135 1.00 33.43 O ATOM 1713 NE2 GLN A 100 -8.399 10.655 -2.853 1.00 2.21 N ATOM 0 H GLN A 100 -4.226 13.244 -4.124 1.00 44.14 H new ATOM 0 HA GLN A 100 -5.510 14.805 -2.082 1.00 23.13 H new ATOM 0 HB2 GLN A 100 -4.583 11.890 -2.069 1.00 43.44 H new ATOM 0 HB3 GLN A 100 -5.658 12.612 -0.889 1.00 43.44 H new ATOM 0 HG2 GLN A 100 -7.363 12.998 -2.638 1.00 71.33 H new ATOM 0 HG3 GLN A 100 -6.283 12.354 -3.859 1.00 71.33 H new ATOM 0 HE21 GLN A 100 -8.973 11.423 -3.201 1.00 2.21 H new ATOM 0 HE22 GLN A 100 -8.806 9.727 -2.733 1.00 2.21 H new ATOM 1722 N GLY A 101 -2.339 14.388 -1.795 1.00 54.40 N ATOM 1723 CA GLY A 101 -1.142 14.655 -0.999 1.00 74.43 C ATOM 1724 C GLY A 101 -0.551 13.373 -0.439 1.00 11.32 C ATOM 1725 O GLY A 101 -0.384 13.225 0.775 1.00 42.54 O ATOM 0 H GLY A 101 -2.152 14.255 -2.789 1.00 54.40 H new ATOM 0 HA2 GLY A 101 -0.399 15.161 -1.615 1.00 74.43 H new ATOM 0 HA3 GLY A 101 -1.391 15.331 -0.181 1.00 74.43 H new ATOM 1729 N TYR A 102 -0.265 12.425 -1.348 1.00 23.25 N ATOM 1730 CA TYR A 102 0.354 11.127 -1.014 1.00 42.52 C ATOM 1731 C TYR A 102 1.616 10.900 -1.860 1.00 34.10 C ATOM 1732 O TYR A 102 1.704 11.377 -3.001 1.00 23.22 O ATOM 1733 CB TYR A 102 -0.645 9.946 -1.229 1.00 51.11 C ATOM 1734 CG TYR A 102 -1.718 9.777 -0.133 1.00 33.12 C ATOM 1735 CD1 TYR A 102 -2.895 10.528 -0.143 1.00 34.53 C ATOM 1736 CD2 TYR A 102 -1.550 8.854 0.910 1.00 34.25 C ATOM 1737 CE1 TYR A 102 -3.863 10.370 0.839 1.00 44.42 C ATOM 1738 CE2 TYR A 102 -2.516 8.692 1.893 1.00 72.23 C ATOM 1739 CZ TYR A 102 -3.668 9.451 1.854 1.00 20.22 C ATOM 1740 OH TYR A 102 -4.631 9.290 2.836 1.00 42.03 O ATOM 0 H TYR A 102 -0.458 12.537 -2.343 1.00 23.25 H new ATOM 0 HA TYR A 102 0.628 11.156 0.041 1.00 42.52 H new ATOM 0 HB2 TYR A 102 -1.147 10.087 -2.186 1.00 51.11 H new ATOM 0 HB3 TYR A 102 -0.075 9.020 -1.302 1.00 51.11 H new ATOM 0 HD1 TYR A 102 -3.056 11.248 -0.932 1.00 34.53 H new ATOM 0 HD2 TYR A 102 -0.651 8.257 0.949 1.00 34.25 H new ATOM 0 HE1 TYR A 102 -4.765 10.963 0.811 1.00 44.42 H new ATOM 0 HE2 TYR A 102 -2.367 7.974 2.686 1.00 72.23 H new ATOM 0 HH TYR A 102 -4.840 8.338 2.937 1.00 42.03 H new ATOM 1750 N GLU A 103 2.588 10.177 -1.266 1.00 70.45 N ATOM 1751 CA GLU A 103 3.749 9.629 -1.977 1.00 15.41 C ATOM 1752 C GLU A 103 3.265 8.415 -2.785 1.00 64.33 C ATOM 1753 O GLU A 103 3.154 7.313 -2.251 1.00 24.14 O ATOM 1754 CB GLU A 103 4.869 9.221 -0.964 1.00 72.42 C ATOM 1755 CG GLU A 103 6.101 8.505 -1.578 1.00 14.11 C ATOM 1756 CD GLU A 103 6.869 9.366 -2.594 1.00 5.43 C ATOM 1757 OE1 GLU A 103 7.489 10.364 -2.175 1.00 74.45 O ATOM 1758 OE2 GLU A 103 6.852 9.057 -3.809 1.00 53.24 O ATOM 0 H GLU A 103 2.584 9.958 -0.270 1.00 70.45 H new ATOM 0 HA GLU A 103 4.179 10.375 -2.645 1.00 15.41 H new ATOM 0 HB2 GLU A 103 5.212 10.118 -0.449 1.00 72.42 H new ATOM 0 HB3 GLU A 103 4.431 8.568 -0.209 1.00 72.42 H new ATOM 0 HG2 GLU A 103 6.779 8.213 -0.776 1.00 14.11 H new ATOM 0 HG3 GLU A 103 5.772 7.588 -2.067 1.00 14.11 H new ATOM 1765 N VAL A 104 2.907 8.653 -4.053 1.00 75.10 N ATOM 1766 CA VAL A 104 2.347 7.617 -4.936 1.00 21.00 C ATOM 1767 C VAL A 104 3.372 7.260 -6.013 1.00 44.14 C ATOM 1768 O VAL A 104 3.768 8.120 -6.808 1.00 41.02 O ATOM 1769 CB VAL A 104 1.007 8.078 -5.632 1.00 73.51 C ATOM 1770 CG1 VAL A 104 0.346 6.901 -6.387 1.00 21.50 C ATOM 1771 CG2 VAL A 104 0.035 8.695 -4.616 1.00 74.43 C ATOM 0 H VAL A 104 2.996 9.567 -4.497 1.00 75.10 H new ATOM 0 HA VAL A 104 2.117 6.750 -4.316 1.00 21.00 H new ATOM 0 HB VAL A 104 1.258 8.850 -6.360 1.00 73.51 H new ATOM 0 HG11 VAL A 104 -0.575 7.243 -6.858 1.00 21.50 H new ATOM 0 HG12 VAL A 104 1.029 6.530 -7.151 1.00 21.50 H new ATOM 0 HG13 VAL A 104 0.118 6.100 -5.684 1.00 21.50 H new ATOM 0 HG21 VAL A 104 -0.878 9.002 -5.126 1.00 74.43 H new ATOM 0 HG22 VAL A 104 -0.208 7.958 -3.851 1.00 74.43 H new ATOM 0 HG23 VAL A 104 0.500 9.563 -4.149 1.00 74.43 H new ATOM 1781 N ARG A 105 3.796 6.001 -6.018 1.00 14.23 N ATOM 1782 CA ARG A 105 4.688 5.437 -7.034 1.00 72.24 C ATOM 1783 C ARG A 105 3.877 4.431 -7.864 1.00 65.24 C ATOM 1784 O ARG A 105 3.154 3.613 -7.298 1.00 41.32 O ATOM 1785 CB ARG A 105 5.875 4.717 -6.345 1.00 70.33 C ATOM 1786 CG ARG A 105 6.780 5.614 -5.459 1.00 75.14 C ATOM 1787 CD ARG A 105 7.673 6.577 -6.259 1.00 15.22 C ATOM 1788 NE ARG A 105 8.742 7.164 -5.420 1.00 10.45 N ATOM 1789 CZ ARG A 105 9.945 6.596 -5.190 1.00 33.12 C ATOM 1790 NH1 ARG A 105 10.266 5.419 -5.722 1.00 4.53 N ATOM 1791 NH2 ARG A 105 10.839 7.232 -4.449 1.00 4.51 N ATOM 0 H ARG A 105 3.525 5.327 -5.302 1.00 14.23 H new ATOM 0 HA ARG A 105 5.086 6.224 -7.674 1.00 72.24 H new ATOM 0 HB2 ARG A 105 5.479 3.910 -5.729 1.00 70.33 H new ATOM 0 HB3 ARG A 105 6.493 4.256 -7.115 1.00 70.33 H new ATOM 0 HG2 ARG A 105 6.151 6.193 -4.783 1.00 75.14 H new ATOM 0 HG3 ARG A 105 7.412 4.977 -4.840 1.00 75.14 H new ATOM 0 HD2 ARG A 105 8.121 6.044 -7.098 1.00 15.22 H new ATOM 0 HD3 ARG A 105 7.061 7.376 -6.679 1.00 15.22 H new ATOM 0 HE ARG A 105 8.556 8.066 -4.982 1.00 10.45 H new ATOM 0 HH11 ARG A 105 9.598 4.929 -6.316 1.00 4.53 H new ATOM 0 HH12 ARG A 105 11.180 5.007 -5.536 1.00 4.53 H new ATOM 0 HH21 ARG A 105 10.617 8.146 -4.055 1.00 4.51 H new ATOM 0 HH22 ARG A 105 11.749 6.808 -4.272 1.00 4.51 H new ATOM 1805 N LYS A 106 3.983 4.517 -9.195 1.00 23.24 N ATOM 1806 CA LYS A 106 3.350 3.550 -10.118 1.00 3.21 C ATOM 1807 C LYS A 106 4.438 2.725 -10.823 1.00 64.14 C ATOM 1808 O LYS A 106 5.542 3.228 -11.077 1.00 74.50 O ATOM 1809 CB LYS A 106 2.449 4.284 -11.147 1.00 4.03 C ATOM 1810 CG LYS A 106 3.152 5.376 -11.988 1.00 53.03 C ATOM 1811 CD LYS A 106 2.205 6.047 -13.007 1.00 21.10 C ATOM 1812 CE LYS A 106 1.721 5.096 -14.113 1.00 73.34 C ATOM 1813 NZ LYS A 106 2.831 4.640 -14.989 1.00 41.33 N ATOM 0 H LYS A 106 4.507 5.254 -9.668 1.00 23.24 H new ATOM 0 HA LYS A 106 2.713 2.874 -9.548 1.00 3.21 H new ATOM 0 HB2 LYS A 106 2.025 3.544 -11.826 1.00 4.03 H new ATOM 0 HB3 LYS A 106 1.616 4.741 -10.613 1.00 4.03 H new ATOM 0 HG2 LYS A 106 3.559 6.136 -11.321 1.00 53.03 H new ATOM 0 HG3 LYS A 106 3.995 4.933 -12.519 1.00 53.03 H new ATOM 0 HD2 LYS A 106 1.340 6.447 -12.478 1.00 21.10 H new ATOM 0 HD3 LYS A 106 2.718 6.893 -13.465 1.00 21.10 H new ATOM 0 HE2 LYS A 106 1.240 4.230 -13.659 1.00 73.34 H new ATOM 0 HE3 LYS A 106 0.967 5.599 -14.718 1.00 73.34 H new ATOM 0 HZ1 LYS A 106 2.444 4.084 -15.778 1.00 41.33 H new ATOM 0 HZ2 LYS A 106 3.339 5.466 -15.364 1.00 41.33 H new ATOM 0 HZ3 LYS A 106 3.487 4.050 -14.439 1.00 41.33 H new ATOM 1827 N VAL A 107 4.120 1.458 -11.123 1.00 21.52 N ATOM 1828 CA VAL A 107 5.080 0.515 -11.732 1.00 45.14 C ATOM 1829 C VAL A 107 4.337 -0.600 -12.505 1.00 62.33 C ATOM 1830 O VAL A 107 3.142 -0.829 -12.290 1.00 15.13 O ATOM 1831 CB VAL A 107 6.030 -0.097 -10.622 1.00 42.00 C ATOM 1832 CG1 VAL A 107 5.275 -1.027 -9.659 1.00 12.02 C ATOM 1833 CG2 VAL A 107 7.258 -0.796 -11.232 1.00 73.12 C ATOM 0 H VAL A 107 3.198 1.056 -10.953 1.00 21.52 H new ATOM 0 HA VAL A 107 5.697 1.060 -12.446 1.00 45.14 H new ATOM 0 HB VAL A 107 6.396 0.744 -10.034 1.00 42.00 H new ATOM 0 HG11 VAL A 107 5.968 -1.422 -8.916 1.00 12.02 H new ATOM 0 HG12 VAL A 107 4.485 -0.468 -9.157 1.00 12.02 H new ATOM 0 HG13 VAL A 107 4.835 -1.852 -10.220 1.00 12.02 H new ATOM 0 HG21 VAL A 107 7.880 -1.200 -10.434 1.00 73.12 H new ATOM 0 HG22 VAL A 107 6.930 -1.607 -11.882 1.00 73.12 H new ATOM 0 HG23 VAL A 107 7.835 -0.077 -11.813 1.00 73.12 H new ATOM 1843 N THR A 108 5.058 -1.247 -13.435 1.00 2.21 N ATOM 1844 CA THR A 108 4.584 -2.410 -14.211 1.00 72.42 C ATOM 1845 C THR A 108 5.786 -3.391 -14.367 1.00 44.51 C ATOM 1846 O THR A 108 6.044 -3.963 -15.432 1.00 51.25 O ATOM 1847 CB THR A 108 4.006 -1.935 -15.595 1.00 4.21 C ATOM 1848 OG1 THR A 108 3.090 -0.851 -15.372 1.00 70.20 O ATOM 1849 CG2 THR A 108 3.251 -3.043 -16.360 1.00 21.42 C ATOM 0 H THR A 108 6.010 -0.971 -13.676 1.00 2.21 H new ATOM 0 HA THR A 108 3.771 -2.927 -13.701 1.00 72.42 H new ATOM 0 HB THR A 108 4.861 -1.637 -16.202 1.00 4.21 H new ATOM 0 HG1 THR A 108 2.217 -1.209 -15.107 1.00 70.20 H new ATOM 0 HG21 THR A 108 2.880 -2.645 -17.304 1.00 21.42 H new ATOM 0 HG22 THR A 108 3.927 -3.875 -16.557 1.00 21.42 H new ATOM 0 HG23 THR A 108 2.412 -3.393 -15.759 1.00 21.42 H new ATOM 1857 N ASP A 109 6.502 -3.576 -13.241 1.00 31.21 N ATOM 1858 CA ASP A 109 7.750 -4.366 -13.173 1.00 1.45 C ATOM 1859 C ASP A 109 7.959 -4.878 -11.738 1.00 25.43 C ATOM 1860 O ASP A 109 7.821 -4.104 -10.786 1.00 4.24 O ATOM 1861 CB ASP A 109 8.939 -3.485 -13.621 1.00 24.02 C ATOM 1862 CG ASP A 109 10.266 -4.249 -13.739 1.00 52.00 C ATOM 1863 OD1 ASP A 109 10.480 -4.924 -14.765 1.00 12.43 O ATOM 1864 OD2 ASP A 109 11.099 -4.166 -12.822 1.00 11.31 O ATOM 0 H ASP A 109 6.229 -3.178 -12.343 1.00 31.21 H new ATOM 0 HA ASP A 109 7.682 -5.226 -13.839 1.00 1.45 H new ATOM 0 HB2 ASP A 109 8.703 -3.035 -14.585 1.00 24.02 H new ATOM 0 HB3 ASP A 109 9.063 -2.668 -12.910 1.00 24.02 H new ATOM 1869 N ASP A 110 8.304 -6.172 -11.600 1.00 55.43 N ATOM 1870 CA ASP A 110 8.329 -6.860 -10.289 1.00 70.44 C ATOM 1871 C ASP A 110 9.516 -6.431 -9.402 1.00 52.14 C ATOM 1872 O ASP A 110 9.322 -6.142 -8.213 1.00 62.25 O ATOM 1873 CB ASP A 110 8.283 -8.414 -10.441 1.00 73.54 C ATOM 1874 CG ASP A 110 9.551 -9.081 -11.008 1.00 22.34 C ATOM 1875 OD1 ASP A 110 10.499 -9.341 -10.239 1.00 54.20 O ATOM 1876 OD2 ASP A 110 9.584 -9.394 -12.210 1.00 24.30 O ATOM 0 H ASP A 110 8.571 -6.768 -12.384 1.00 55.43 H new ATOM 0 HA ASP A 110 7.420 -6.543 -9.777 1.00 70.44 H new ATOM 0 HB2 ASP A 110 8.076 -8.848 -9.463 1.00 73.54 H new ATOM 0 HB3 ASP A 110 7.443 -8.670 -11.087 1.00 73.54 H new ATOM 1881 N GLU A 111 10.735 -6.388 -9.971 1.00 34.43 N ATOM 1882 CA GLU A 111 11.961 -6.080 -9.207 1.00 12.21 C ATOM 1883 C GLU A 111 12.019 -4.588 -8.873 1.00 64.00 C ATOM 1884 O GLU A 111 12.499 -4.212 -7.794 1.00 60.22 O ATOM 1885 CB GLU A 111 13.264 -6.542 -9.935 1.00 44.45 C ATOM 1886 CG GLU A 111 13.433 -6.095 -11.413 1.00 24.21 C ATOM 1887 CD GLU A 111 12.917 -7.129 -12.436 1.00 35.23 C ATOM 1888 OE1 GLU A 111 11.707 -7.166 -12.722 1.00 10.44 O ATOM 1889 OE2 GLU A 111 13.730 -7.930 -12.946 1.00 64.23 O ATOM 0 H GLU A 111 10.899 -6.564 -10.962 1.00 34.43 H new ATOM 0 HA GLU A 111 11.910 -6.651 -8.280 1.00 12.21 H new ATOM 0 HB2 GLU A 111 14.119 -6.174 -9.368 1.00 44.45 H new ATOM 0 HB3 GLU A 111 13.304 -7.631 -9.902 1.00 44.45 H new ATOM 0 HG2 GLU A 111 12.903 -5.154 -11.562 1.00 24.21 H new ATOM 0 HG3 GLU A 111 14.488 -5.901 -11.606 1.00 24.21 H new ATOM 1896 N GLU A 112 11.495 -3.750 -9.791 1.00 75.44 N ATOM 1897 CA GLU A 112 11.349 -2.307 -9.557 1.00 61.43 C ATOM 1898 C GLU A 112 10.352 -2.068 -8.416 1.00 40.14 C ATOM 1899 O GLU A 112 10.585 -1.220 -7.576 1.00 21.44 O ATOM 1900 CB GLU A 112 10.876 -1.575 -10.838 1.00 61.35 C ATOM 1901 CG GLU A 112 10.846 -0.026 -10.754 1.00 34.12 C ATOM 1902 CD GLU A 112 12.232 0.633 -10.599 1.00 3.32 C ATOM 1903 OE1 GLU A 112 13.156 0.286 -11.361 1.00 63.55 O ATOM 1904 OE2 GLU A 112 12.392 1.529 -9.737 1.00 22.14 O ATOM 0 H GLU A 112 11.165 -4.056 -10.706 1.00 75.44 H new ATOM 0 HA GLU A 112 12.323 -1.904 -9.281 1.00 61.43 H new ATOM 0 HB2 GLU A 112 11.529 -1.864 -11.662 1.00 61.35 H new ATOM 0 HB3 GLU A 112 9.875 -1.927 -11.087 1.00 61.35 H new ATOM 0 HG2 GLU A 112 10.370 0.365 -11.653 1.00 34.12 H new ATOM 0 HG3 GLU A 112 10.222 0.267 -9.910 1.00 34.12 H new ATOM 1911 N ALA A 113 9.254 -2.858 -8.397 1.00 52.35 N ATOM 1912 CA ALA A 113 8.232 -2.792 -7.332 1.00 2.40 C ATOM 1913 C ALA A 113 8.826 -3.120 -5.950 1.00 55.20 C ATOM 1914 O ALA A 113 8.619 -2.366 -5.000 1.00 22.22 O ATOM 1915 CB ALA A 113 7.068 -3.735 -7.643 1.00 34.14 C ATOM 0 H ALA A 113 9.054 -3.554 -9.115 1.00 52.35 H new ATOM 0 HA ALA A 113 7.861 -1.768 -7.301 1.00 2.40 H new ATOM 0 HB1 ALA A 113 6.326 -3.672 -6.847 1.00 34.14 H new ATOM 0 HB2 ALA A 113 6.610 -3.448 -8.590 1.00 34.14 H new ATOM 0 HB3 ALA A 113 7.438 -4.758 -7.714 1.00 34.14 H new ATOM 1921 N LEU A 114 9.597 -4.237 -5.871 1.00 1.35 N ATOM 1922 CA LEU A 114 10.297 -4.663 -4.630 1.00 61.00 C ATOM 1923 C LEU A 114 11.243 -3.553 -4.139 1.00 5.11 C ATOM 1924 O LEU A 114 11.362 -3.301 -2.938 1.00 21.52 O ATOM 1925 CB LEU A 114 11.113 -5.970 -4.862 1.00 2.05 C ATOM 1926 CG LEU A 114 10.311 -7.234 -5.292 1.00 2.41 C ATOM 1927 CD1 LEU A 114 11.249 -8.435 -5.530 1.00 0.21 C ATOM 1928 CD2 LEU A 114 9.220 -7.587 -4.262 1.00 61.22 C ATOM 0 H LEU A 114 9.750 -4.864 -6.661 1.00 1.35 H new ATOM 0 HA LEU A 114 9.536 -4.855 -3.873 1.00 61.00 H new ATOM 0 HB2 LEU A 114 11.865 -5.770 -5.625 1.00 2.05 H new ATOM 0 HB3 LEU A 114 11.648 -6.204 -3.941 1.00 2.05 H new ATOM 0 HG LEU A 114 9.816 -7.000 -6.234 1.00 2.41 H new ATOM 0 HD11 LEU A 114 10.661 -9.303 -5.829 1.00 0.21 H new ATOM 0 HD12 LEU A 114 11.961 -8.190 -6.318 1.00 0.21 H new ATOM 0 HD13 LEU A 114 11.789 -8.662 -4.611 1.00 0.21 H new ATOM 0 HD21 LEU A 114 8.680 -8.474 -4.594 1.00 61.22 H new ATOM 0 HD22 LEU A 114 9.683 -7.784 -3.295 1.00 61.22 H new ATOM 0 HD23 LEU A 114 8.525 -6.753 -4.168 1.00 61.22 H new ATOM 1940 N LYS A 115 11.890 -2.887 -5.111 1.00 74.14 N ATOM 1941 CA LYS A 115 12.777 -1.750 -4.871 1.00 30.10 C ATOM 1942 C LYS A 115 12.000 -0.576 -4.246 1.00 51.14 C ATOM 1943 O LYS A 115 12.452 -0.014 -3.252 1.00 21.22 O ATOM 1944 CB LYS A 115 13.443 -1.337 -6.207 1.00 51.51 C ATOM 1945 CG LYS A 115 14.205 0.000 -6.179 1.00 1.52 C ATOM 1946 CD LYS A 115 14.684 0.421 -7.582 1.00 40.03 C ATOM 1947 CE LYS A 115 15.181 1.868 -7.628 1.00 44.40 C ATOM 1948 NZ LYS A 115 15.363 2.332 -9.030 1.00 21.11 N ATOM 0 H LYS A 115 11.806 -3.132 -6.098 1.00 74.14 H new ATOM 0 HA LYS A 115 13.554 -2.036 -4.162 1.00 30.10 H new ATOM 0 HB2 LYS A 115 14.135 -2.124 -6.507 1.00 51.51 H new ATOM 0 HB3 LYS A 115 12.672 -1.280 -6.976 1.00 51.51 H new ATOM 0 HG2 LYS A 115 13.560 0.776 -5.768 1.00 1.52 H new ATOM 0 HG3 LYS A 115 15.064 -0.086 -5.513 1.00 1.52 H new ATOM 0 HD2 LYS A 115 15.486 -0.244 -7.902 1.00 40.03 H new ATOM 0 HD3 LYS A 115 13.866 0.300 -8.292 1.00 40.03 H new ATOM 0 HE2 LYS A 115 14.468 2.516 -7.118 1.00 44.40 H new ATOM 0 HE3 LYS A 115 16.126 1.948 -7.091 1.00 44.40 H new ATOM 0 HZ1 LYS A 115 15.585 3.348 -9.033 1.00 21.11 H new ATOM 0 HZ2 LYS A 115 16.144 1.805 -9.471 1.00 21.11 H new ATOM 0 HZ3 LYS A 115 14.487 2.167 -9.567 1.00 21.11 H new ATOM 1962 N ILE A 116 10.810 -0.255 -4.812 1.00 1.24 N ATOM 1963 CA ILE A 116 9.952 0.853 -4.328 1.00 5.52 C ATOM 1964 C ILE A 116 9.571 0.649 -2.841 1.00 51.44 C ATOM 1965 O ILE A 116 9.594 1.594 -2.045 1.00 3.13 O ATOM 1966 CB ILE A 116 8.619 1.004 -5.165 1.00 74.03 C ATOM 1967 CG1 ILE A 116 8.866 1.171 -6.699 1.00 4.20 C ATOM 1968 CG2 ILE A 116 7.775 2.176 -4.641 1.00 33.53 C ATOM 1969 CD1 ILE A 116 9.692 2.373 -7.117 1.00 10.33 C ATOM 0 H ILE A 116 10.421 -0.754 -5.612 1.00 1.24 H new ATOM 0 HA ILE A 116 10.543 1.761 -4.449 1.00 5.52 H new ATOM 0 HB ILE A 116 8.074 0.070 -5.031 1.00 74.03 H new ATOM 0 HG12 ILE A 116 9.360 0.271 -7.067 1.00 4.20 H new ATOM 0 HG13 ILE A 116 7.898 1.230 -7.198 1.00 4.20 H new ATOM 0 HG21 ILE A 116 6.863 2.261 -5.232 1.00 33.53 H new ATOM 0 HG22 ILE A 116 7.516 2.000 -3.597 1.00 33.53 H new ATOM 0 HG23 ILE A 116 8.347 3.101 -4.722 1.00 33.53 H new ATOM 0 HD11 ILE A 116 9.796 2.383 -8.202 1.00 10.33 H new ATOM 0 HD12 ILE A 116 9.195 3.287 -6.791 1.00 10.33 H new ATOM 0 HD13 ILE A 116 10.679 2.313 -6.658 1.00 10.33 H new ATOM 1981 N VAL A 117 9.234 -0.607 -2.498 1.00 15.32 N ATOM 1982 CA VAL A 117 8.848 -0.990 -1.129 1.00 54.54 C ATOM 1983 C VAL A 117 10.042 -0.832 -0.168 1.00 61.02 C ATOM 1984 O VAL A 117 9.881 -0.350 0.951 1.00 52.20 O ATOM 1985 CB VAL A 117 8.335 -2.474 -1.067 1.00 65.51 C ATOM 1986 CG1 VAL A 117 7.774 -2.822 0.329 1.00 4.23 C ATOM 1987 CG2 VAL A 117 7.295 -2.755 -2.163 1.00 15.12 C ATOM 0 H VAL A 117 9.222 -1.383 -3.160 1.00 15.32 H new ATOM 0 HA VAL A 117 8.038 -0.327 -0.826 1.00 54.54 H new ATOM 0 HB VAL A 117 9.194 -3.120 -1.249 1.00 65.51 H new ATOM 0 HG11 VAL A 117 7.428 -3.856 0.335 1.00 4.23 H new ATOM 0 HG12 VAL A 117 8.557 -2.697 1.077 1.00 4.23 H new ATOM 0 HG13 VAL A 117 6.940 -2.159 0.562 1.00 4.23 H new ATOM 0 HG21 VAL A 117 6.961 -3.790 -2.091 1.00 15.12 H new ATOM 0 HG22 VAL A 117 6.442 -2.089 -2.034 1.00 15.12 H new ATOM 0 HG23 VAL A 117 7.743 -2.585 -3.142 1.00 15.12 H new ATOM 1997 N ARG A 118 11.243 -1.235 -0.640 1.00 24.53 N ATOM 1998 CA ARG A 118 12.496 -1.113 0.136 1.00 65.22 C ATOM 1999 C ARG A 118 12.896 0.361 0.329 1.00 43.14 C ATOM 2000 O ARG A 118 13.489 0.713 1.353 1.00 40.15 O ATOM 2001 CB ARG A 118 13.644 -1.938 -0.522 1.00 52.52 C ATOM 2002 CG ARG A 118 13.440 -3.469 -0.433 1.00 51.11 C ATOM 2003 CD ARG A 118 14.575 -4.278 -1.084 1.00 60.01 C ATOM 2004 NE ARG A 118 14.659 -4.064 -2.540 1.00 32.30 N ATOM 2005 CZ ARG A 118 14.528 -5.018 -3.477 1.00 1.12 C ATOM 2006 NH1 ARG A 118 14.309 -6.288 -3.152 1.00 24.11 N ATOM 2007 NH2 ARG A 118 14.615 -4.686 -4.747 1.00 13.44 N ATOM 0 H ARG A 118 11.370 -1.651 -1.563 1.00 24.53 H new ATOM 0 HA ARG A 118 12.317 -1.530 1.127 1.00 65.22 H new ATOM 0 HB2 ARG A 118 13.730 -1.652 -1.570 1.00 52.52 H new ATOM 0 HB3 ARG A 118 14.588 -1.678 -0.042 1.00 52.52 H new ATOM 0 HG2 ARG A 118 13.355 -3.756 0.615 1.00 51.11 H new ATOM 0 HG3 ARG A 118 12.497 -3.730 -0.913 1.00 51.11 H new ATOM 0 HD2 ARG A 118 15.524 -4.001 -0.624 1.00 60.01 H new ATOM 0 HD3 ARG A 118 14.421 -5.338 -0.884 1.00 60.01 H new ATOM 0 HE ARG A 118 14.831 -3.112 -2.863 1.00 32.30 H new ATOM 0 HH11 ARG A 118 14.237 -6.558 -2.171 1.00 24.11 H new ATOM 0 HH12 ARG A 118 14.213 -6.992 -3.883 1.00 24.11 H new ATOM 0 HH21 ARG A 118 14.780 -3.714 -5.010 1.00 13.44 H new ATOM 0 HH22 ARG A 118 14.517 -5.400 -5.469 1.00 13.44 H new ATOM 2021 N GLU A 119 12.528 1.221 -0.646 1.00 64.13 N ATOM 2022 CA GLU A 119 12.703 2.683 -0.543 1.00 4.23 C ATOM 2023 C GLU A 119 11.786 3.233 0.564 1.00 0.21 C ATOM 2024 O GLU A 119 12.226 4.008 1.400 1.00 1.31 O ATOM 2025 CB GLU A 119 12.402 3.384 -1.899 1.00 11.30 C ATOM 2026 CG GLU A 119 13.385 3.026 -3.031 1.00 53.12 C ATOM 2027 CD GLU A 119 13.078 3.756 -4.348 1.00 52.10 C ATOM 2028 OE1 GLU A 119 12.271 3.255 -5.146 1.00 44.13 O ATOM 2029 OE2 GLU A 119 13.631 4.850 -4.582 1.00 52.20 O ATOM 0 H GLU A 119 12.103 0.921 -1.523 1.00 64.13 H new ATOM 0 HA GLU A 119 13.742 2.892 -0.289 1.00 4.23 H new ATOM 0 HB2 GLU A 119 11.392 3.121 -2.214 1.00 11.30 H new ATOM 0 HB3 GLU A 119 12.418 4.463 -1.748 1.00 11.30 H new ATOM 0 HG2 GLU A 119 14.399 3.270 -2.715 1.00 53.12 H new ATOM 0 HG3 GLU A 119 13.356 1.950 -3.203 1.00 53.12 H new ATOM 2036 N PHE A 120 10.514 2.784 0.553 1.00 24.43 N ATOM 2037 CA PHE A 120 9.485 3.174 1.544 1.00 41.32 C ATOM 2038 C PHE A 120 9.873 2.791 2.982 1.00 11.52 C ATOM 2039 O PHE A 120 9.703 3.586 3.910 1.00 62.41 O ATOM 2040 CB PHE A 120 8.119 2.529 1.190 1.00 12.13 C ATOM 2041 CG PHE A 120 7.428 3.083 -0.053 1.00 71.35 C ATOM 2042 CD1 PHE A 120 7.796 4.313 -0.622 1.00 1.23 C ATOM 2043 CD2 PHE A 120 6.367 2.385 -0.624 1.00 54.30 C ATOM 2044 CE1 PHE A 120 7.126 4.811 -1.720 1.00 34.11 C ATOM 2045 CE2 PHE A 120 5.700 2.891 -1.712 1.00 74.23 C ATOM 2046 CZ PHE A 120 6.078 4.101 -2.260 1.00 73.03 C ATOM 0 H PHE A 120 10.167 2.133 -0.151 1.00 24.43 H new ATOM 0 HA PHE A 120 9.407 4.260 1.500 1.00 41.32 H new ATOM 0 HB2 PHE A 120 8.268 1.458 1.053 1.00 12.13 H new ATOM 0 HB3 PHE A 120 7.449 2.651 2.041 1.00 12.13 H new ATOM 0 HD1 PHE A 120 8.613 4.876 -0.195 1.00 1.23 H new ATOM 0 HD2 PHE A 120 6.066 1.436 -0.207 1.00 54.30 H new ATOM 0 HE1 PHE A 120 7.423 5.754 -2.154 1.00 34.11 H new ATOM 0 HE2 PHE A 120 4.876 2.340 -2.141 1.00 74.23 H new ATOM 0 HZ PHE A 120 5.549 4.492 -3.116 1.00 73.03 H new ATOM 2056 N MET A 121 10.360 1.555 3.146 1.00 22.40 N ATOM 2057 CA MET A 121 10.825 1.034 4.438 1.00 63.14 C ATOM 2058 C MET A 121 12.101 1.766 4.916 1.00 11.02 C ATOM 2059 O MET A 121 12.346 1.865 6.120 1.00 21.25 O ATOM 2060 CB MET A 121 11.060 -0.499 4.341 1.00 61.12 C ATOM 2061 CG MET A 121 9.792 -1.326 4.076 1.00 4.32 C ATOM 2062 SD MET A 121 10.089 -3.108 4.139 1.00 54.15 S ATOM 2063 CE MET A 121 11.111 -3.388 2.689 1.00 54.54 C ATOM 0 H MET A 121 10.443 0.884 2.382 1.00 22.40 H new ATOM 0 HA MET A 121 10.050 1.220 5.182 1.00 63.14 H new ATOM 0 HB2 MET A 121 11.778 -0.693 3.544 1.00 61.12 H new ATOM 0 HB3 MET A 121 11.515 -0.843 5.270 1.00 61.12 H new ATOM 0 HG2 MET A 121 9.032 -1.063 4.812 1.00 4.32 H new ATOM 0 HG3 MET A 121 9.391 -1.064 3.097 1.00 4.32 H new ATOM 0 HE1 MET A 121 11.183 -4.458 2.496 1.00 54.54 H new ATOM 0 HE2 MET A 121 10.663 -2.893 1.827 1.00 54.54 H new ATOM 0 HE3 MET A 121 12.108 -2.982 2.863 1.00 54.54 H new ATOM 2073 N GLN A 122 12.906 2.251 3.950 1.00 1.10 N ATOM 2074 CA GLN A 122 14.094 3.091 4.217 1.00 10.31 C ATOM 2075 C GLN A 122 13.678 4.507 4.683 1.00 20.24 C ATOM 2076 O GLN A 122 14.303 5.076 5.572 1.00 32.35 O ATOM 2077 CB GLN A 122 14.979 3.169 2.943 1.00 30.44 C ATOM 2078 CG GLN A 122 16.296 3.952 3.110 1.00 44.24 C ATOM 2079 CD GLN A 122 17.083 4.163 1.810 1.00 63.03 C ATOM 2080 OE1 GLN A 122 16.393 4.358 0.684 1.00 25.41 O flip ATOM 2081 NE2 GLN A 122 18.316 4.196 1.823 1.00 43.15 N flip ATOM 0 H GLN A 122 12.751 2.071 2.958 1.00 1.10 H new ATOM 0 HA GLN A 122 14.671 2.634 5.021 1.00 10.31 H new ATOM 0 HB2 GLN A 122 15.215 2.155 2.621 1.00 30.44 H new ATOM 0 HB3 GLN A 122 14.399 3.630 2.144 1.00 30.44 H new ATOM 0 HG2 GLN A 122 16.072 4.926 3.546 1.00 44.24 H new ATOM 0 HG3 GLN A 122 16.930 3.423 3.821 1.00 44.24 H new ATOM 0 HE21 GLN A 122 18.821 4.044 2.696 1.00 43.15 H new ATOM 0 HE22 GLN A 122 18.830 4.375 0.961 1.00 43.15 H new ATOM 2090 N LYS A 123 12.596 5.046 4.076 1.00 65.22 N ATOM 2091 CA LYS A 123 12.034 6.380 4.410 1.00 42.23 C ATOM 2092 C LYS A 123 11.464 6.369 5.833 1.00 34.14 C ATOM 2093 O LYS A 123 11.773 7.244 6.652 1.00 2.13 O ATOM 2094 CB LYS A 123 10.911 6.755 3.399 1.00 0.01 C ATOM 2095 CG LYS A 123 11.383 6.941 1.946 1.00 24.31 C ATOM 2096 CD LYS A 123 10.213 7.042 0.936 1.00 72.31 C ATOM 2097 CE LYS A 123 10.700 7.130 -0.515 1.00 34.41 C ATOM 2098 NZ LYS A 123 11.599 8.297 -0.723 1.00 35.42 N ATOM 0 H LYS A 123 12.083 4.567 3.336 1.00 65.22 H new ATOM 0 HA LYS A 123 12.831 7.121 4.350 1.00 42.23 H new ATOM 0 HB2 LYS A 123 10.148 5.977 3.421 1.00 0.01 H new ATOM 0 HB3 LYS A 123 10.436 7.678 3.732 1.00 0.01 H new ATOM 0 HG2 LYS A 123 11.991 7.843 1.880 1.00 24.31 H new ATOM 0 HG3 LYS A 123 12.024 6.104 1.668 1.00 24.31 H new ATOM 0 HD2 LYS A 123 9.565 6.173 1.047 1.00 72.31 H new ATOM 0 HD3 LYS A 123 9.611 7.920 1.168 1.00 72.31 H new ATOM 0 HE2 LYS A 123 11.227 6.213 -0.778 1.00 34.41 H new ATOM 0 HE3 LYS A 123 9.842 7.208 -1.183 1.00 34.41 H new ATOM 0 HZ1 LYS A 123 11.800 8.404 -1.738 1.00 35.42 H new ATOM 0 HZ2 LYS A 123 11.137 9.159 -0.369 1.00 35.42 H new ATOM 0 HZ3 LYS A 123 12.490 8.145 -0.208 1.00 35.42 H new ATOM 2112 N ALA A 124 10.646 5.336 6.107 1.00 74.15 N ATOM 2113 CA ALA A 124 10.066 5.089 7.429 1.00 14.32 C ATOM 2114 C ALA A 124 11.182 4.815 8.444 1.00 14.53 C ATOM 2115 O ALA A 124 11.131 5.296 9.572 1.00 1.22 O ATOM 2116 CB ALA A 124 9.079 3.912 7.353 1.00 3.40 C ATOM 0 H ALA A 124 10.370 4.647 5.407 1.00 74.15 H new ATOM 0 HA ALA A 124 9.517 5.971 7.759 1.00 14.32 H new ATOM 0 HB1 ALA A 124 8.650 3.732 8.339 1.00 3.40 H new ATOM 0 HB2 ALA A 124 8.282 4.150 6.649 1.00 3.40 H new ATOM 0 HB3 ALA A 124 9.604 3.018 7.017 1.00 3.40 H new ATOM 2122 N GLY A 125 12.218 4.080 7.982 1.00 53.12 N ATOM 2123 CA GLY A 125 13.401 3.765 8.787 1.00 1.32 C ATOM 2124 C GLY A 125 14.216 4.993 9.169 1.00 22.34 C ATOM 2125 O GLY A 125 14.751 5.062 10.278 1.00 33.32 O ATOM 0 H GLY A 125 12.250 3.692 7.039 1.00 53.12 H new ATOM 0 HA2 GLY A 125 13.087 3.249 9.695 1.00 1.32 H new ATOM 0 HA3 GLY A 125 14.036 3.075 8.232 1.00 1.32 H new ATOM 2129 N SER A 126 14.280 5.981 8.258 1.00 31.23 N ATOM 2130 CA SER A 126 14.992 7.248 8.499 1.00 41.55 C ATOM 2131 C SER A 126 14.284 8.056 9.607 1.00 65.31 C ATOM 2132 O SER A 126 14.929 8.768 10.379 1.00 20.31 O ATOM 2133 CB SER A 126 15.065 8.084 7.198 1.00 35.32 C ATOM 2134 OG SER A 126 15.737 7.387 6.152 1.00 65.42 O ATOM 0 H SER A 126 13.842 5.924 7.339 1.00 31.23 H new ATOM 0 HA SER A 126 16.007 7.017 8.823 1.00 41.55 H new ATOM 0 HB2 SER A 126 14.056 8.339 6.874 1.00 35.32 H new ATOM 0 HB3 SER A 126 15.582 9.022 7.399 1.00 35.32 H new ATOM 0 HG SER A 126 15.254 6.560 5.947 1.00 65.42 H new ATOM 2140 N LEU A 127 12.948 7.899 9.674 1.00 54.13 N ATOM 2141 CA LEU A 127 12.090 8.604 10.636 1.00 31.50 C ATOM 2142 C LEU A 127 12.111 7.899 12.013 1.00 41.33 C ATOM 2143 O LEU A 127 12.124 8.569 13.047 1.00 3.04 O ATOM 2144 CB LEU A 127 10.644 8.709 10.066 1.00 71.42 C ATOM 2145 CG LEU A 127 10.496 9.484 8.714 1.00 73.22 C ATOM 2146 CD1 LEU A 127 9.029 9.472 8.222 1.00 40.42 C ATOM 2147 CD2 LEU A 127 11.054 10.928 8.818 1.00 50.05 C ATOM 0 H LEU A 127 12.433 7.273 9.055 1.00 54.13 H new ATOM 0 HA LEU A 127 12.474 9.613 10.788 1.00 31.50 H new ATOM 0 HB2 LEU A 127 10.254 7.700 9.929 1.00 71.42 H new ATOM 0 HB3 LEU A 127 10.015 9.195 10.812 1.00 71.42 H new ATOM 0 HG LEU A 127 11.097 8.963 7.968 1.00 73.22 H new ATOM 0 HD11 LEU A 127 8.956 10.018 7.281 1.00 40.42 H new ATOM 0 HD12 LEU A 127 8.704 8.443 8.070 1.00 40.42 H new ATOM 0 HD13 LEU A 127 8.391 9.947 8.967 1.00 40.42 H new ATOM 0 HD21 LEU A 127 10.934 11.434 7.860 1.00 50.05 H new ATOM 0 HD22 LEU A 127 10.509 11.474 9.588 1.00 50.05 H new ATOM 0 HD23 LEU A 127 12.112 10.891 9.079 1.00 50.05 H new ATOM 2159 N GLU A 128 12.149 6.550 12.007 1.00 50.54 N ATOM 2160 CA GLU A 128 12.182 5.733 13.244 1.00 34.24 C ATOM 2161 C GLU A 128 13.515 5.900 13.982 1.00 12.21 C ATOM 2162 O GLU A 128 13.543 6.136 15.200 1.00 74.41 O ATOM 2163 CB GLU A 128 11.957 4.231 12.927 1.00 73.41 C ATOM 2164 CG GLU A 128 10.571 3.900 12.359 1.00 15.24 C ATOM 2165 CD GLU A 128 9.416 4.388 13.245 1.00 2.14 C ATOM 2166 OE1 GLU A 128 9.257 3.878 14.369 1.00 11.11 O ATOM 2167 OE2 GLU A 128 8.635 5.257 12.815 1.00 63.11 O ATOM 0 H GLU A 128 12.158 5.996 11.150 1.00 50.54 H new ATOM 0 HA GLU A 128 11.374 6.087 13.885 1.00 34.24 H new ATOM 0 HB2 GLU A 128 12.715 3.906 12.214 1.00 73.41 H new ATOM 0 HB3 GLU A 128 12.109 3.654 13.839 1.00 73.41 H new ATOM 0 HG2 GLU A 128 10.475 4.349 11.370 1.00 15.24 H new ATOM 0 HG3 GLU A 128 10.488 2.821 12.229 1.00 15.24 H new ATOM 2174 N HIS A 129 14.610 5.772 13.223 1.00 10.43 N ATOM 2175 CA HIS A 129 15.970 5.852 13.765 1.00 12.43 C ATOM 2176 C HIS A 129 16.381 7.315 13.977 1.00 25.51 C ATOM 2177 O HIS A 129 15.702 8.242 13.491 1.00 44.12 O ATOM 2178 CB HIS A 129 16.972 5.113 12.836 1.00 11.42 C ATOM 2179 CG HIS A 129 16.674 3.644 12.667 1.00 53.42 C ATOM 2180 ND1 HIS A 129 16.492 2.789 13.731 1.00 62.31 N ATOM 2181 CD2 HIS A 129 16.491 2.887 11.557 1.00 62.31 C ATOM 2182 CE1 HIS A 129 16.211 1.582 13.287 1.00 12.33 C ATOM 2183 NE2 HIS A 129 16.203 1.618 11.972 1.00 3.15 N ATOM 0 H HIS A 129 14.577 5.610 12.216 1.00 10.43 H new ATOM 0 HA HIS A 129 15.987 5.357 14.736 1.00 12.43 H new ATOM 0 HB2 HIS A 129 16.965 5.591 11.856 1.00 11.42 H new ATOM 0 HB3 HIS A 129 17.978 5.226 13.239 1.00 11.42 H new ATOM 0 HD2 HIS A 129 16.560 3.225 10.534 1.00 62.31 H new ATOM 0 HE1 HIS A 129 16.020 0.712 13.897 1.00 12.33 H new ATOM 0 HE2 HIS A 129 16.012 0.825 11.360 1.00 3.15 H new ATOM 2192 N HIS A 130 17.490 7.495 14.715 1.00 1.31 N ATOM 2193 CA HIS A 130 18.035 8.816 15.065 1.00 52.33 C ATOM 2194 C HIS A 130 18.363 9.621 13.787 1.00 33.21 C ATOM 2195 O HIS A 130 19.163 9.188 12.951 1.00 20.43 O ATOM 2196 CB HIS A 130 19.283 8.685 16.000 1.00 1.21 C ATOM 2197 CG HIS A 130 20.496 7.997 15.407 1.00 22.24 C ATOM 2198 ND1 HIS A 130 21.751 8.567 15.401 1.00 41.23 N ATOM 2199 CD2 HIS A 130 20.644 6.787 14.809 1.00 63.51 C ATOM 2200 CE1 HIS A 130 22.605 7.749 14.831 1.00 31.14 C ATOM 2201 NE2 HIS A 130 21.960 6.665 14.464 1.00 42.22 N ATOM 0 H HIS A 130 18.038 6.720 15.088 1.00 1.31 H new ATOM 0 HA HIS A 130 17.274 9.364 15.621 1.00 52.33 H new ATOM 0 HB2 HIS A 130 19.578 9.685 16.319 1.00 1.21 H new ATOM 0 HB3 HIS A 130 18.984 8.140 16.895 1.00 1.21 H new ATOM 0 HD1 HIS A 130 21.981 9.485 15.782 1.00 41.23 H new ATOM 0 HD2 HIS A 130 19.866 6.057 14.638 1.00 63.51 H new ATOM 0 HE1 HIS A 130 23.659 7.936 14.688 1.00 31.14 H new ATOM 2210 N HIS A 131 17.675 10.766 13.640 1.00 61.34 N ATOM 2211 CA HIS A 131 17.848 11.692 12.500 1.00 43.01 C ATOM 2212 C HIS A 131 19.245 12.337 12.569 1.00 74.15 C ATOM 2213 O HIS A 131 19.895 12.581 11.546 1.00 42.34 O ATOM 2214 CB HIS A 131 16.742 12.784 12.523 1.00 12.42 C ATOM 2215 CG HIS A 131 15.349 12.251 12.759 1.00 51.51 C ATOM 2216 ND1 HIS A 131 14.629 12.533 13.901 1.00 61.32 N ATOM 2217 CD2 HIS A 131 14.550 11.447 12.012 1.00 75.24 C ATOM 2218 CE1 HIS A 131 13.463 11.926 13.849 1.00 21.21 C ATOM 2219 NE2 HIS A 131 13.387 11.262 12.717 1.00 61.14 N ATOM 0 H HIS A 131 16.976 11.081 14.313 1.00 61.34 H new ATOM 0 HA HIS A 131 17.760 11.136 11.567 1.00 43.01 H new ATOM 0 HB2 HIS A 131 16.979 13.508 13.303 1.00 12.42 H new ATOM 0 HB3 HIS A 131 16.757 13.321 11.574 1.00 12.42 H new ATOM 0 HD1 HIS A 131 14.951 13.122 14.669 1.00 61.32 H new ATOM 0 HD2 HIS A 131 14.786 11.031 11.044 1.00 75.24 H new ATOM 0 HE1 HIS A 131 12.697 11.966 14.609 1.00 21.21 H new ATOM 2228 N HIS A 132 19.682 12.592 13.815 1.00 25.52 N ATOM 2229 CA HIS A 132 21.009 13.130 14.133 1.00 11.22 C ATOM 2230 C HIS A 132 22.055 12.012 14.014 1.00 15.02 C ATOM 2231 O HIS A 132 22.327 11.297 14.977 1.00 61.43 O ATOM 2232 CB HIS A 132 21.005 13.738 15.568 1.00 54.10 C ATOM 2233 CG HIS A 132 20.122 14.955 15.739 1.00 70.05 C ATOM 2234 ND1 HIS A 132 20.592 16.184 16.164 1.00 61.15 N ATOM 2235 CD2 HIS A 132 18.785 15.121 15.558 1.00 2.24 C ATOM 2236 CE1 HIS A 132 19.589 17.038 16.227 1.00 10.42 C ATOM 2237 NE2 HIS A 132 18.487 16.419 15.864 1.00 51.11 N ATOM 0 H HIS A 132 19.109 12.425 14.642 1.00 25.52 H new ATOM 0 HA HIS A 132 21.263 13.922 13.429 1.00 11.22 H new ATOM 0 HB2 HIS A 132 20.682 12.971 16.272 1.00 54.10 H new ATOM 0 HB3 HIS A 132 22.027 14.007 15.836 1.00 54.10 H new ATOM 0 HD2 HIS A 132 18.086 14.365 15.232 1.00 2.24 H new ATOM 0 HE1 HIS A 132 19.661 18.073 16.527 1.00 10.42 H new ATOM 0 HE2 HIS A 132 17.559 16.840 15.818 1.00 51.11 H new ATOM 2246 N HIS A 133 22.620 11.855 12.806 1.00 72.43 N ATOM 2247 CA HIS A 133 23.617 10.809 12.497 1.00 70.05 C ATOM 2248 C HIS A 133 25.057 11.339 12.715 1.00 24.33 C ATOM 2249 O HIS A 133 26.014 10.874 12.084 1.00 75.51 O ATOM 2250 CB HIS A 133 23.381 10.281 11.047 1.00 73.33 C ATOM 2251 CG HIS A 133 23.540 11.294 9.928 1.00 45.21 C ATOM 2252 ND1 HIS A 133 22.483 12.010 9.400 1.00 12.12 N ATOM 2253 CD2 HIS A 133 24.630 11.672 9.206 1.00 63.04 C ATOM 2254 CE1 HIS A 133 22.919 12.770 8.411 1.00 11.50 C ATOM 2255 NE2 HIS A 133 24.213 12.584 8.278 1.00 21.15 N ATOM 0 H HIS A 133 22.399 12.452 12.009 1.00 72.43 H new ATOM 0 HA HIS A 133 23.495 9.969 13.181 1.00 70.05 H new ATOM 0 HB2 HIS A 133 24.074 9.459 10.865 1.00 73.33 H new ATOM 0 HB3 HIS A 133 22.374 9.867 10.993 1.00 73.33 H new ATOM 0 HD2 HIS A 133 25.641 11.316 9.342 1.00 63.04 H new ATOM 0 HE1 HIS A 133 22.313 13.433 7.812 1.00 11.50 H new ATOM 0 HE2 HIS A 133 24.810 13.046 7.592 1.00 21.15 H new ATOM 2264 N HIS A 134 25.189 12.302 13.649 1.00 71.33 N ATOM 2265 CA HIS A 134 26.472 12.909 14.031 1.00 61.22 C ATOM 2266 C HIS A 134 27.136 12.064 15.151 1.00 64.02 C ATOM 2267 O HIS A 134 26.679 12.143 16.309 1.00 1.43 O ATOM 2268 CB HIS A 134 26.245 14.383 14.466 1.00 22.04 C ATOM 2269 CG HIS A 134 27.476 15.063 14.999 1.00 32.12 C ATOM 2270 ND1 HIS A 134 27.783 15.090 16.342 1.00 50.33 N ATOM 2271 CD2 HIS A 134 28.468 15.746 14.378 1.00 74.21 C ATOM 2272 CE1 HIS A 134 28.903 15.748 16.524 1.00 75.41 C ATOM 2273 NE2 HIS A 134 29.341 16.158 15.352 1.00 54.25 N ATOM 2274 OXT HIS A 134 28.089 11.319 14.862 1.00 37.27 O ATOM 0 H HIS A 134 24.395 12.682 14.164 1.00 71.33 H new ATOM 0 HA HIS A 134 27.151 12.919 13.179 1.00 61.22 H new ATOM 0 HB2 HIS A 134 25.871 14.949 13.613 1.00 22.04 H new ATOM 0 HB3 HIS A 134 25.469 14.409 15.231 1.00 22.04 H new ATOM 0 HD2 HIS A 134 28.555 15.931 13.317 1.00 74.21 H new ATOM 0 HE1 HIS A 134 29.385 15.924 17.475 1.00 75.41 H new ATOM 0 HE2 HIS A 134 30.193 16.696 15.194 1.00 54.25 H new TER 2283 HIS A 134