USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 629 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 40 TYR OH : rot 30:sc= 0.257 USER MOD Set 1.2: A 77 CYS SG : rot -24:sc= 1.74 USER MOD Set 1.3: A 80 MET CE :methyl 160:sc= 0 (180deg=-0.122) USER MOD Set 2.1: A 35 GLN :FLIP amide:sc= -3.36! C(o=-7.7!,f=-4.2!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -0.873 K(o=-4.2,f=-7.7!) USER MOD Set 3.1: A 4 HIS : no HE2:sc= -0.998! C(o=-4.4!,f=-12!) USER MOD Set 3.2: A 6 HIS : no HE2:sc= -3.38! C(o=-4.4!,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.115 (180deg=-0.718) USER MOD Single : A 2 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-1.3) USER MOD Single : A 3 HIS : no HD1:sc= -0.0807 X(o=-0.081,f=-0.31) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.319 F(o=-0.86,f=-0.32) USER MOD Single : A 7 HIS :FLIP no HD1:sc= 0.0867 F(o=-1.5,f=0.087) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 170:sc= -2.09! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -5.98! C(o=-6.7!,f=-6!) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0716) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.132 USER MOD Single : A 36 TYR OH : rot -60:sc= -2.47 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.205 F(o=-2.5,f=-0.21) USER MOD Single : A 43 SER OG : rot 59:sc= -0.34 USER MOD Single : A 44 GLN : amide:sc= -0.0284 X(o=-0.028,f=-0.027) USER MOD Single : A 48 ASN :FLIP amide:sc= -1.38 F(o=-5.7!,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= -0.106 (180deg=-1.28) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0677 F(o=-0.89,f=-0.068) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -139:sc= 0.418 USER MOD Single : A 72 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 88:sc= 0.864 USER MOD Single : A 75 ASN : amide:sc= -5.36! C(o=-5.4!,f=-11!) USER MOD Single : A 76 LYS NZ :NH3+ -147:sc= 0.329 (180deg=-0.0994) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.346 -26.063 9.732 1.00 1.00 N ATOM 2 CA MET A 1 3.319 -27.109 10.001 1.00 1.00 C ATOM 3 C MET A 1 2.106 -26.467 10.665 1.00 1.00 C ATOM 4 O MET A 1 1.006 -27.019 10.635 1.00 1.00 O ATOM 5 CB MET A 1 3.913 -28.179 10.919 1.00 1.00 C ATOM 6 CG MET A 1 4.924 -29.019 10.137 1.00 1.00 C ATOM 7 SD MET A 1 5.853 -30.067 11.285 1.00 1.00 S ATOM 8 CE MET A 1 7.008 -30.758 10.075 1.00 1.00 C ATOM 0 H1 MET A 1 5.023 -26.415 9.026 1.00 1.00 H new ATOM 0 H2 MET A 1 3.882 -25.206 9.370 1.00 1.00 H new ATOM 0 H3 MET A 1 4.851 -25.837 10.613 1.00 1.00 H new ATOM 0 HA MET A 1 3.010 -27.573 9.064 1.00 1.00 H new ATOM 0 HB2 MET A 1 4.399 -27.710 11.775 1.00 1.00 H new ATOM 0 HB3 MET A 1 3.121 -28.817 11.312 1.00 1.00 H new ATOM 0 HG2 MET A 1 4.409 -29.636 9.401 1.00 1.00 H new ATOM 0 HG3 MET A 1 5.606 -28.369 9.588 1.00 1.00 H new ATOM 0 HE1 MET A 1 7.689 -31.447 10.574 1.00 1.00 H new ATOM 0 HE2 MET A 1 6.452 -31.292 9.305 1.00 1.00 H new ATOM 0 HE3 MET A 1 7.580 -29.951 9.616 1.00 1.00 H new ATOM 20 N HIS A 2 2.314 -25.300 11.265 1.00 1.00 N ATOM 21 CA HIS A 2 1.229 -24.591 11.934 1.00 1.00 C ATOM 22 C HIS A 2 1.612 -23.137 12.186 1.00 1.00 C ATOM 23 O HIS A 2 1.407 -22.611 13.280 1.00 1.00 O ATOM 24 CB HIS A 2 0.904 -25.273 13.265 1.00 1.00 C ATOM 25 CG HIS A 2 2.035 -25.054 14.231 1.00 1.00 C ATOM 26 ND1 HIS A 2 3.290 -25.609 14.037 1.00 1.00 N ATOM 27 CD2 HIS A 2 2.117 -24.342 15.403 1.00 1.00 C ATOM 28 CE1 HIS A 2 4.067 -25.226 15.067 1.00 1.00 C ATOM 29 NE2 HIS A 2 3.401 -24.453 15.929 1.00 1.00 N ATOM 0 H HIS A 2 3.217 -24.827 11.302 1.00 1.00 H new ATOM 0 HA HIS A 2 0.351 -24.616 11.288 1.00 1.00 H new ATOM 0 HB2 HIS A 2 -0.022 -24.870 13.676 1.00 1.00 H new ATOM 0 HB3 HIS A 2 0.746 -26.340 13.110 1.00 1.00 H new ATOM 0 HD2 HIS A 2 1.308 -23.781 15.848 1.00 1.00 H new ATOM 0 HE1 HIS A 2 5.103 -25.509 15.182 1.00 1.00 H new ATOM 0 HE2 HIS A 2 3.757 -24.034 16.788 1.00 1.00 H new ATOM 37 N HIS A 3 2.171 -22.492 11.166 1.00 1.00 N ATOM 38 CA HIS A 3 2.578 -21.098 11.288 1.00 1.00 C ATOM 39 C HIS A 3 1.359 -20.182 11.298 1.00 1.00 C ATOM 40 O HIS A 3 0.226 -20.638 11.153 1.00 1.00 O ATOM 41 CB HIS A 3 3.495 -20.718 10.124 1.00 1.00 C ATOM 42 CG HIS A 3 4.895 -20.512 10.634 1.00 1.00 C ATOM 43 ND1 HIS A 3 5.187 -19.613 11.649 1.00 1.00 N ATOM 44 CD2 HIS A 3 6.094 -21.079 10.279 1.00 1.00 C ATOM 45 CE1 HIS A 3 6.513 -19.665 11.867 1.00 1.00 C ATOM 46 NE2 HIS A 3 7.114 -20.543 11.060 1.00 1.00 N ATOM 0 H HIS A 3 2.351 -22.909 10.253 1.00 1.00 H new ATOM 0 HA HIS A 3 3.116 -20.977 12.228 1.00 1.00 H new ATOM 0 HB2 HIS A 3 3.484 -21.503 9.368 1.00 1.00 H new ATOM 0 HB3 HIS A 3 3.134 -19.808 9.645 1.00 1.00 H new ATOM 0 HD2 HIS A 3 6.226 -21.827 9.511 1.00 1.00 H new ATOM 0 HE1 HIS A 3 7.029 -19.069 12.605 1.00 1.00 H new ATOM 0 HE2 HIS A 3 8.107 -20.772 11.024 1.00 1.00 H new ATOM 54 N HIS A 4 1.600 -18.886 11.470 1.00 1.00 N ATOM 55 CA HIS A 4 0.514 -17.914 11.497 1.00 1.00 C ATOM 56 C HIS A 4 1.001 -16.552 11.014 1.00 1.00 C ATOM 57 O HIS A 4 1.919 -15.970 11.591 1.00 1.00 O ATOM 58 CB HIS A 4 -0.037 -17.786 12.919 1.00 1.00 C ATOM 59 CG HIS A 4 -1.226 -16.865 12.916 1.00 1.00 C ATOM 60 ND1 HIS A 4 -1.187 -15.605 13.490 1.00 1.00 N ATOM 61 CD2 HIS A 4 -2.495 -17.007 12.410 1.00 1.00 C ATOM 62 CE1 HIS A 4 -2.397 -15.043 13.319 1.00 1.00 C ATOM 63 NE2 HIS A 4 -3.232 -15.855 12.666 1.00 1.00 N ATOM 0 H HIS A 4 2.531 -18.487 11.592 1.00 1.00 H new ATOM 0 HA HIS A 4 -0.276 -18.262 10.831 1.00 1.00 H new ATOM 0 HB2 HIS A 4 -0.324 -18.767 13.299 1.00 1.00 H new ATOM 0 HB3 HIS A 4 0.734 -17.399 13.586 1.00 1.00 H new ATOM 0 HD1 HIS A 4 -0.386 -15.180 13.958 1.00 1.00 H new ATOM 0 HD2 HIS A 4 -2.864 -17.880 11.892 1.00 1.00 H new ATOM 0 HE1 HIS A 4 -2.661 -14.055 13.667 1.00 1.00 H new ATOM 71 N HIS A 5 0.380 -16.050 9.951 1.00 1.00 N ATOM 72 CA HIS A 5 0.758 -14.754 9.399 1.00 1.00 C ATOM 73 C HIS A 5 -0.093 -13.645 10.005 1.00 1.00 C ATOM 74 O HIS A 5 -1.297 -13.809 10.199 1.00 1.00 O ATOM 75 CB HIS A 5 0.584 -14.764 7.879 1.00 1.00 C ATOM 76 CG HIS A 5 1.076 -16.072 7.325 1.00 1.00 C ATOM 77 ND1 HIS A 5 1.987 -16.985 7.797 1.00 1.00 N flip ATOM 78 CD2 HIS A 5 0.618 -16.584 6.121 1.00 1.00 C flip ATOM 79 CE1 HIS A 5 2.094 -18.046 6.904 1.00 1.00 C flip ATOM 80 NE2 HIS A 5 1.249 -17.755 5.912 1.00 1.00 N flip ATOM 0 H HIS A 5 -0.381 -16.517 9.458 1.00 1.00 H new ATOM 0 HA HIS A 5 1.804 -14.566 9.643 1.00 1.00 H new ATOM 0 HB2 HIS A 5 -0.465 -14.620 7.622 1.00 1.00 H new ATOM 0 HB3 HIS A 5 1.138 -13.937 7.434 1.00 1.00 H new ATOM 0 HD2 HIS A 5 -0.112 -16.127 5.469 1.00 1.00 H new ATOM 0 HE1 HIS A 5 2.725 -18.918 6.994 1.00 1.00 H new ATOM 0 HE2 HIS A 5 1.100 -18.348 5.095 1.00 1.00 H new ATOM 88 N HIS A 6 0.541 -12.513 10.299 1.00 1.00 N ATOM 89 CA HIS A 6 -0.170 -11.381 10.882 1.00 1.00 C ATOM 90 C HIS A 6 0.757 -10.178 11.016 1.00 1.00 C ATOM 91 O HIS A 6 1.169 -9.820 12.119 1.00 1.00 O ATOM 92 CB HIS A 6 -0.719 -11.762 12.259 1.00 1.00 C ATOM 93 CG HIS A 6 0.364 -12.426 13.063 1.00 1.00 C ATOM 94 ND1 HIS A 6 0.667 -13.771 12.928 1.00 1.00 N ATOM 95 CD2 HIS A 6 1.223 -11.943 14.019 1.00 1.00 C ATOM 96 CE1 HIS A 6 1.671 -14.049 13.780 1.00 1.00 C ATOM 97 NE2 HIS A 6 2.047 -12.970 14.471 1.00 1.00 N ATOM 0 H HIS A 6 1.537 -12.356 10.145 1.00 1.00 H new ATOM 0 HA HIS A 6 -0.997 -11.116 10.223 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -1.079 -10.873 12.778 1.00 1.00 H new ATOM 0 HB3 HIS A 6 -1.570 -12.434 12.150 1.00 1.00 H new ATOM 0 HD1 HIS A 6 0.212 -14.431 12.297 1.00 1.00 H new ATOM 0 HD2 HIS A 6 1.255 -10.921 14.367 1.00 1.00 H new ATOM 0 HE1 HIS A 6 2.118 -15.026 13.891 1.00 1.00 H new ATOM 105 N HIS A 7 1.081 -9.558 9.888 1.00 1.00 N ATOM 106 CA HIS A 7 1.960 -8.394 9.891 1.00 1.00 C ATOM 107 C HIS A 7 1.155 -7.115 10.103 1.00 1.00 C ATOM 108 O HIS A 7 0.348 -6.732 9.257 1.00 1.00 O ATOM 109 CB HIS A 7 2.719 -8.308 8.565 1.00 1.00 C ATOM 110 CG HIS A 7 3.118 -9.690 8.127 1.00 1.00 C ATOM 111 ND1 HIS A 7 2.399 -10.723 7.578 1.00 1.00 N flip ATOM 112 CD2 HIS A 7 4.421 -10.152 8.233 1.00 1.00 C flip ATOM 113 CE1 HIS A 7 3.238 -11.808 7.348 1.00 1.00 C flip ATOM 114 NE2 HIS A 7 4.444 -11.412 7.760 1.00 1.00 N flip ATOM 0 H HIS A 7 0.751 -9.839 8.965 1.00 1.00 H new ATOM 0 HA HIS A 7 2.672 -8.502 10.710 1.00 1.00 H new ATOM 0 HB2 HIS A 7 2.093 -7.840 7.805 1.00 1.00 H new ATOM 0 HB3 HIS A 7 3.603 -7.681 8.680 1.00 1.00 H new ATOM 0 HD2 HIS A 7 5.264 -9.601 8.624 1.00 1.00 H new ATOM 0 HE1 HIS A 7 2.971 -12.766 6.926 1.00 1.00 H new ATOM 0 HE2 HIS A 7 5.281 -11.993 7.721 1.00 1.00 H new ATOM 122 N SER A 8 1.381 -6.463 11.239 1.00 1.00 N ATOM 123 CA SER A 8 0.670 -5.228 11.552 1.00 1.00 C ATOM 124 C SER A 8 1.540 -4.014 11.246 1.00 1.00 C ATOM 125 O SER A 8 2.750 -4.030 11.477 1.00 1.00 O ATOM 126 CB SER A 8 0.275 -5.215 13.030 1.00 1.00 C ATOM 127 OG SER A 8 0.508 -3.920 13.566 1.00 1.00 O ATOM 0 H SER A 8 2.044 -6.765 11.952 1.00 1.00 H new ATOM 0 HA SER A 8 -0.227 -5.181 10.934 1.00 1.00 H new ATOM 0 HB2 SER A 8 -0.776 -5.483 13.140 1.00 1.00 H new ATOM 0 HB3 SER A 8 0.853 -5.958 13.579 1.00 1.00 H new ATOM 0 HG SER A 8 0.255 -3.907 14.513 1.00 1.00 H new ATOM 133 N SER A 9 0.917 -2.962 10.726 1.00 1.00 N ATOM 134 CA SER A 9 1.643 -1.743 10.392 1.00 1.00 C ATOM 135 C SER A 9 0.763 -0.517 10.617 1.00 1.00 C ATOM 136 O SER A 9 -0.410 -0.508 10.243 1.00 1.00 O ATOM 137 CB SER A 9 2.095 -1.787 8.933 1.00 1.00 C ATOM 138 OG SER A 9 3.246 -0.969 8.771 1.00 1.00 O ATOM 0 H SER A 9 -0.083 -2.929 10.528 1.00 1.00 H new ATOM 0 HA SER A 9 2.516 -1.674 11.040 1.00 1.00 H new ATOM 0 HB2 SER A 9 2.320 -2.813 8.641 1.00 1.00 H new ATOM 0 HB3 SER A 9 1.293 -1.439 8.282 1.00 1.00 H new ATOM 0 HG SER A 9 3.632 -1.120 7.883 1.00 1.00 H new ATOM 144 N GLY A 10 1.335 0.513 11.232 1.00 1.00 N ATOM 145 CA GLY A 10 0.593 1.739 11.504 1.00 1.00 C ATOM 146 C GLY A 10 1.433 2.969 11.182 1.00 1.00 C ATOM 147 O GLY A 10 1.884 3.676 12.083 1.00 1.00 O ATOM 0 H GLY A 10 2.304 0.524 11.550 1.00 1.00 H new ATOM 0 HA2 GLY A 10 -0.322 1.754 10.911 1.00 1.00 H new ATOM 0 HA3 GLY A 10 0.294 1.763 12.552 1.00 1.00 H new ATOM 151 N LEU A 11 1.636 3.218 9.892 1.00 1.00 N ATOM 152 CA LEU A 11 2.423 4.367 9.458 1.00 1.00 C ATOM 153 C LEU A 11 1.514 5.462 8.908 1.00 1.00 C ATOM 154 O LEU A 11 0.684 5.210 8.034 1.00 1.00 O ATOM 155 CB LEU A 11 3.420 3.939 8.379 1.00 1.00 C ATOM 156 CG LEU A 11 2.743 2.964 7.416 1.00 1.00 C ATOM 157 CD1 LEU A 11 3.287 3.182 6.003 1.00 1.00 C ATOM 158 CD2 LEU A 11 3.033 1.528 7.858 1.00 1.00 C ATOM 0 H LEU A 11 1.269 2.644 9.133 1.00 1.00 H new ATOM 0 HA LEU A 11 2.965 4.759 10.319 1.00 1.00 H new ATOM 0 HB2 LEU A 11 3.781 4.812 7.835 1.00 1.00 H new ATOM 0 HB3 LEU A 11 4.289 3.468 8.838 1.00 1.00 H new ATOM 0 HG LEU A 11 1.667 3.136 7.421 1.00 1.00 H new ATOM 0 HD11 LEU A 11 2.804 2.487 5.316 1.00 1.00 H new ATOM 0 HD12 LEU A 11 3.082 4.205 5.688 1.00 1.00 H new ATOM 0 HD13 LEU A 11 4.363 3.010 5.997 1.00 1.00 H new ATOM 0 HD21 LEU A 11 2.551 0.832 7.172 1.00 1.00 H new ATOM 0 HD22 LEU A 11 4.109 1.356 7.852 1.00 1.00 H new ATOM 0 HD23 LEU A 11 2.646 1.372 8.865 1.00 1.00 H new ATOM 170 N VAL A 12 1.676 6.675 9.429 1.00 1.00 N ATOM 171 CA VAL A 12 0.862 7.804 8.985 1.00 1.00 C ATOM 172 C VAL A 12 1.736 9.030 8.737 1.00 1.00 C ATOM 173 O VAL A 12 1.667 10.013 9.474 1.00 1.00 O ATOM 174 CB VAL A 12 -0.191 8.134 10.045 1.00 1.00 C ATOM 175 CG1 VAL A 12 -1.356 7.150 9.928 1.00 1.00 C ATOM 176 CG2 VAL A 12 0.434 8.021 11.437 1.00 1.00 C ATOM 0 H VAL A 12 2.358 6.901 10.153 1.00 1.00 H new ATOM 0 HA VAL A 12 0.368 7.529 8.053 1.00 1.00 H new ATOM 0 HB VAL A 12 -0.556 9.150 9.892 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -2.107 7.384 10.683 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -1.801 7.229 8.936 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -0.991 6.134 10.082 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -0.316 8.256 12.193 1.00 1.00 H new ATOM 0 HG22 VAL A 12 0.798 7.005 11.591 1.00 1.00 H new ATOM 0 HG23 VAL A 12 1.265 8.721 11.521 1.00 1.00 H new ATOM 186 N PRO A 13 2.553 8.986 7.719 1.00 1.00 N ATOM 187 CA PRO A 13 3.461 10.110 7.364 1.00 1.00 C ATOM 188 C PRO A 13 2.738 11.218 6.601 1.00 1.00 C ATOM 189 O PRO A 13 1.612 11.035 6.141 1.00 1.00 O ATOM 190 CB PRO A 13 4.521 9.444 6.488 1.00 1.00 C ATOM 191 CG PRO A 13 3.840 8.274 5.856 1.00 1.00 C ATOM 192 CD PRO A 13 2.699 7.853 6.790 1.00 1.00 C ATOM 0 HA PRO A 13 3.873 10.602 8.245 1.00 1.00 H new ATOM 0 HB2 PRO A 13 4.896 10.135 5.733 1.00 1.00 H new ATOM 0 HB3 PRO A 13 5.377 9.125 7.082 1.00 1.00 H new ATOM 0 HG2 PRO A 13 3.453 8.540 4.872 1.00 1.00 H new ATOM 0 HG3 PRO A 13 4.542 7.453 5.712 1.00 1.00 H new ATOM 0 HD2 PRO A 13 1.778 7.671 6.236 1.00 1.00 H new ATOM 0 HD3 PRO A 13 2.939 6.932 7.321 1.00 1.00 H new ATOM 200 N ARG A 14 3.396 12.366 6.471 1.00 1.00 N ATOM 201 CA ARG A 14 2.808 13.498 5.765 1.00 1.00 C ATOM 202 C ARG A 14 3.873 14.240 4.964 1.00 1.00 C ATOM 203 O ARG A 14 5.012 14.379 5.410 1.00 1.00 O ATOM 204 CB ARG A 14 2.156 14.456 6.764 1.00 1.00 C ATOM 205 CG ARG A 14 1.458 15.590 6.010 1.00 1.00 C ATOM 206 CD ARG A 14 -0.005 15.669 6.448 1.00 1.00 C ATOM 207 NE ARG A 14 -0.725 14.473 6.024 1.00 1.00 N ATOM 208 CZ ARG A 14 -2.037 14.366 6.200 1.00 1.00 C ATOM 209 NH1 ARG A 14 -2.705 15.340 6.756 1.00 1.00 N ATOM 210 NH2 ARG A 14 -2.660 13.286 5.815 1.00 1.00 N ATOM 0 H ARG A 14 4.330 12.536 6.843 1.00 1.00 H new ATOM 0 HA ARG A 14 2.050 13.121 5.078 1.00 1.00 H new ATOM 0 HB2 ARG A 14 1.436 13.919 7.381 1.00 1.00 H new ATOM 0 HB3 ARG A 14 2.910 14.864 7.437 1.00 1.00 H new ATOM 0 HG2 ARG A 14 1.960 16.537 6.210 1.00 1.00 H new ATOM 0 HG3 ARG A 14 1.518 15.418 4.935 1.00 1.00 H new ATOM 0 HD2 ARG A 14 -0.062 15.771 7.532 1.00 1.00 H new ATOM 0 HD3 ARG A 14 -0.473 16.555 6.019 1.00 1.00 H new ATOM 0 HE ARG A 14 -0.213 13.707 5.586 1.00 1.00 H new ATOM 0 HH11 ARG A 14 -2.219 16.185 7.056 1.00 1.00 H new ATOM 0 HH12 ARG A 14 -3.713 15.256 6.890 1.00 1.00 H new ATOM 0 HH21 ARG A 14 -2.139 12.525 5.379 1.00 1.00 H new ATOM 0 HH22 ARG A 14 -3.668 13.203 5.950 1.00 1.00 H new ATOM 224 N GLY A 15 3.494 14.714 3.780 1.00 1.00 N ATOM 225 CA GLY A 15 4.423 15.442 2.922 1.00 1.00 C ATOM 226 C GLY A 15 4.810 14.608 1.706 1.00 1.00 C ATOM 227 O GLY A 15 4.809 15.100 0.577 1.00 1.00 O ATOM 0 H GLY A 15 2.555 14.608 3.395 1.00 1.00 H new ATOM 0 HA2 GLY A 15 3.967 16.377 2.596 1.00 1.00 H new ATOM 0 HA3 GLY A 15 5.317 15.704 3.488 1.00 1.00 H new ATOM 231 N SER A 16 5.141 13.342 1.944 1.00 1.00 N ATOM 232 CA SER A 16 5.528 12.450 0.858 1.00 1.00 C ATOM 233 C SER A 16 4.298 11.962 0.102 1.00 1.00 C ATOM 234 O SER A 16 4.374 11.017 -0.685 1.00 1.00 O ATOM 235 CB SER A 16 6.295 11.251 1.416 1.00 1.00 C ATOM 236 OG SER A 16 7.155 11.689 2.460 1.00 1.00 O ATOM 0 H SER A 16 5.149 12.915 2.870 1.00 1.00 H new ATOM 0 HA SER A 16 6.168 13.002 0.170 1.00 1.00 H new ATOM 0 HB2 SER A 16 5.598 10.502 1.793 1.00 1.00 H new ATOM 0 HB3 SER A 16 6.876 10.776 0.625 1.00 1.00 H new ATOM 0 HG SER A 16 7.647 10.923 2.822 1.00 1.00 H new ATOM 242 N GLN A 17 3.164 12.611 0.344 1.00 1.00 N ATOM 243 CA GLN A 17 1.922 12.235 -0.321 1.00 1.00 C ATOM 244 C GLN A 17 2.129 12.143 -1.828 1.00 1.00 C ATOM 245 O GLN A 17 1.423 11.406 -2.518 1.00 1.00 O ATOM 246 CB GLN A 17 0.830 13.265 -0.014 1.00 1.00 C ATOM 247 CG GLN A 17 0.006 12.796 1.187 1.00 1.00 C ATOM 248 CD GLN A 17 -0.872 11.613 0.791 1.00 1.00 C ATOM 249 OE1 GLN A 17 -0.885 11.209 -0.449 1.00 1.00 O flip ATOM 250 NE2 GLN A 17 -1.561 11.040 1.636 1.00 1.00 N flip ATOM 0 H GLN A 17 3.079 13.395 0.991 1.00 1.00 H new ATOM 0 HA GLN A 17 1.613 11.259 0.052 1.00 1.00 H new ATOM 0 HB2 GLN A 17 1.280 14.235 0.197 1.00 1.00 H new ATOM 0 HB3 GLN A 17 0.184 13.395 -0.882 1.00 1.00 H new ATOM 0 HG2 GLN A 17 0.669 12.509 2.003 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -0.615 13.613 1.553 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -1.549 11.358 2.605 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -2.144 10.247 1.367 1.00 1.00 H new ATOM 259 N GLU A 18 3.102 12.893 -2.333 1.00 1.00 N ATOM 260 CA GLU A 18 3.397 12.887 -3.761 1.00 1.00 C ATOM 261 C GLU A 18 4.043 11.566 -4.165 1.00 1.00 C ATOM 262 O GLU A 18 3.430 10.750 -4.854 1.00 1.00 O ATOM 263 CB GLU A 18 4.334 14.045 -4.108 1.00 1.00 C ATOM 264 CG GLU A 18 3.527 15.342 -4.198 1.00 1.00 C ATOM 265 CD GLU A 18 3.143 15.617 -5.648 1.00 1.00 C ATOM 266 OE1 GLU A 18 2.391 14.831 -6.201 1.00 1.00 O ATOM 267 OE2 GLU A 18 3.605 16.611 -6.185 1.00 1.00 O ATOM 0 H GLU A 18 3.697 13.509 -1.779 1.00 1.00 H new ATOM 0 HA GLU A 18 2.462 13.005 -4.308 1.00 1.00 H new ATOM 0 HB2 GLU A 18 5.111 14.139 -3.349 1.00 1.00 H new ATOM 0 HB3 GLU A 18 4.836 13.850 -5.055 1.00 1.00 H new ATOM 0 HG2 GLU A 18 2.630 15.265 -3.584 1.00 1.00 H new ATOM 0 HG3 GLU A 18 4.113 16.173 -3.804 1.00 1.00 H new ATOM 274 N ILE A 19 5.282 11.359 -3.730 1.00 1.00 N ATOM 275 CA ILE A 19 5.994 10.128 -4.053 1.00 1.00 C ATOM 276 C ILE A 19 5.107 8.922 -3.775 1.00 1.00 C ATOM 277 O ILE A 19 5.210 7.895 -4.446 1.00 1.00 O ATOM 278 CB ILE A 19 7.274 10.030 -3.220 1.00 1.00 C ATOM 279 CG1 ILE A 19 8.382 10.847 -3.889 1.00 1.00 C ATOM 280 CG2 ILE A 19 7.712 8.567 -3.120 1.00 1.00 C ATOM 281 CD1 ILE A 19 7.943 12.308 -4.003 1.00 1.00 C ATOM 0 H ILE A 19 5.809 12.020 -3.159 1.00 1.00 H new ATOM 0 HA ILE A 19 6.255 10.141 -5.111 1.00 1.00 H new ATOM 0 HB ILE A 19 7.084 10.421 -2.220 1.00 1.00 H new ATOM 0 HG12 ILE A 19 9.301 10.777 -3.307 1.00 1.00 H new ATOM 0 HG13 ILE A 19 8.599 10.443 -4.878 1.00 1.00 H new ATOM 0 HG21 ILE A 19 8.624 8.500 -2.526 1.00 1.00 H new ATOM 0 HG22 ILE A 19 6.925 7.983 -2.643 1.00 1.00 H new ATOM 0 HG23 ILE A 19 7.900 8.174 -4.119 1.00 1.00 H new ATOM 0 HD11 ILE A 19 8.733 12.889 -4.479 1.00 1.00 H new ATOM 0 HD12 ILE A 19 7.035 12.369 -4.603 1.00 1.00 H new ATOM 0 HD13 ILE A 19 7.748 12.708 -3.008 1.00 1.00 H new ATOM 293 N GLU A 20 4.233 9.057 -2.784 1.00 1.00 N ATOM 294 CA GLU A 20 3.328 7.974 -2.429 1.00 1.00 C ATOM 295 C GLU A 20 2.332 7.730 -3.555 1.00 1.00 C ATOM 296 O GLU A 20 2.094 6.591 -3.951 1.00 1.00 O ATOM 297 CB GLU A 20 2.576 8.318 -1.141 1.00 1.00 C ATOM 298 CG GLU A 20 3.143 7.496 0.017 1.00 1.00 C ATOM 299 CD GLU A 20 2.713 6.039 -0.120 1.00 1.00 C ATOM 300 OE1 GLU A 20 1.574 5.745 0.208 1.00 1.00 O ATOM 301 OE2 GLU A 20 3.528 5.240 -0.549 1.00 1.00 O ATOM 0 H GLU A 20 4.133 9.899 -2.217 1.00 1.00 H new ATOM 0 HA GLU A 20 3.914 7.069 -2.270 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.670 9.382 -0.926 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.513 8.110 -1.262 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.231 7.564 0.024 1.00 1.00 H new ATOM 0 HG3 GLU A 20 2.792 7.900 0.967 1.00 1.00 H new ATOM 308 N ALA A 21 1.755 8.809 -4.075 1.00 1.00 N ATOM 309 CA ALA A 21 0.790 8.694 -5.160 1.00 1.00 C ATOM 310 C ALA A 21 1.309 7.750 -6.239 1.00 1.00 C ATOM 311 O ALA A 21 0.629 6.803 -6.629 1.00 1.00 O ATOM 312 CB ALA A 21 0.522 10.072 -5.772 1.00 1.00 C ATOM 0 H ALA A 21 1.937 9.764 -3.765 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.138 8.291 -4.754 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.201 9.976 -6.582 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.123 10.738 -5.007 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.453 10.484 -6.163 1.00 1.00 H new ATOM 318 N LYS A 22 2.519 8.018 -6.718 1.00 1.00 N ATOM 319 CA LYS A 22 3.121 7.189 -7.755 1.00 1.00 C ATOM 320 C LYS A 22 3.261 5.747 -7.277 1.00 1.00 C ATOM 321 O LYS A 22 3.300 4.819 -8.084 1.00 1.00 O ATOM 322 CB LYS A 22 4.499 7.742 -8.134 1.00 1.00 C ATOM 323 CG LYS A 22 4.396 9.242 -8.444 1.00 1.00 C ATOM 324 CD LYS A 22 3.571 9.471 -9.718 1.00 1.00 C ATOM 325 CE LYS A 22 2.186 10.008 -9.344 1.00 1.00 C ATOM 326 NZ LYS A 22 2.303 11.436 -8.934 1.00 1.00 N ATOM 0 H LYS A 22 3.099 8.798 -6.407 1.00 1.00 H new ATOM 0 HA LYS A 22 2.471 7.207 -8.630 1.00 1.00 H new ATOM 0 HB2 LYS A 22 5.203 7.579 -7.318 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.888 7.209 -9.002 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.933 9.762 -7.605 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.394 9.663 -8.569 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.082 10.178 -10.372 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.473 8.538 -10.272 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.507 9.916 -10.192 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.762 9.418 -8.531 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 1.364 11.882 -8.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.687 11.490 -7.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.940 11.934 -9.588 1.00 1.00 H new ATOM 340 N GLU A 23 3.335 5.565 -5.963 1.00 1.00 N ATOM 341 CA GLU A 23 3.469 4.230 -5.393 1.00 1.00 C ATOM 342 C GLU A 23 2.094 3.620 -5.152 1.00 1.00 C ATOM 343 O GLU A 23 1.724 2.624 -5.775 1.00 1.00 O ATOM 344 CB GLU A 23 4.240 4.299 -4.073 1.00 1.00 C ATOM 345 CG GLU A 23 5.678 4.745 -4.343 1.00 1.00 C ATOM 346 CD GLU A 23 6.500 3.571 -4.862 1.00 1.00 C ATOM 347 OE1 GLU A 23 6.308 2.472 -4.367 1.00 1.00 O ATOM 348 OE2 GLU A 23 7.313 3.788 -5.746 1.00 1.00 O ATOM 0 H GLU A 23 3.305 6.319 -5.277 1.00 1.00 H new ATOM 0 HA GLU A 23 4.017 3.604 -6.097 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.754 4.997 -3.392 1.00 1.00 H new ATOM 0 HB3 GLU A 23 4.236 3.324 -3.586 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.685 5.555 -5.072 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.124 5.136 -3.428 1.00 1.00 H new ATOM 355 N ALA A 24 1.346 4.231 -4.241 1.00 1.00 N ATOM 356 CA ALA A 24 0.010 3.762 -3.904 1.00 1.00 C ATOM 357 C ALA A 24 -0.725 3.254 -5.141 1.00 1.00 C ATOM 358 O ALA A 24 -1.284 2.159 -5.130 1.00 1.00 O ATOM 359 CB ALA A 24 -0.787 4.904 -3.266 1.00 1.00 C ATOM 0 H ALA A 24 1.645 5.056 -3.721 1.00 1.00 H new ATOM 0 HA ALA A 24 0.105 2.935 -3.200 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.788 4.553 -3.014 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.281 5.239 -2.361 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -0.860 5.734 -3.969 1.00 1.00 H new ATOM 365 N CYS A 25 -0.726 4.054 -6.200 1.00 1.00 N ATOM 366 CA CYS A 25 -1.406 3.671 -7.435 1.00 1.00 C ATOM 367 C CYS A 25 -0.629 2.586 -8.177 1.00 1.00 C ATOM 368 O CYS A 25 -1.223 1.714 -8.811 1.00 1.00 O ATOM 369 CB CYS A 25 -1.567 4.892 -8.342 1.00 1.00 C ATOM 370 SG CYS A 25 -0.993 4.484 -10.010 1.00 1.00 S ATOM 0 H CYS A 25 -0.268 4.965 -6.231 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.387 3.276 -7.171 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.612 5.202 -8.371 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -0.996 5.731 -7.945 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.132 5.521 -10.782 1.00 1.00 H new ATOM 376 N ASP A 26 0.696 2.642 -8.094 1.00 1.00 N ATOM 377 CA ASP A 26 1.530 1.651 -8.767 1.00 1.00 C ATOM 378 C ASP A 26 1.602 0.373 -7.945 1.00 1.00 C ATOM 379 O ASP A 26 2.054 -0.666 -8.428 1.00 1.00 O ATOM 380 CB ASP A 26 2.938 2.203 -8.977 1.00 1.00 C ATOM 381 CG ASP A 26 3.816 1.151 -9.643 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.268 0.270 -10.286 1.00 1.00 O ATOM 383 OD2 ASP A 26 5.026 1.237 -9.499 1.00 1.00 O ATOM 0 H ASP A 26 1.211 3.353 -7.575 1.00 1.00 H new ATOM 0 HA ASP A 26 1.084 1.426 -9.736 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.898 3.099 -9.596 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.369 2.496 -8.020 1.00 1.00 H new ATOM 388 N TRP A 27 1.148 0.455 -6.702 1.00 1.00 N ATOM 389 CA TRP A 27 1.157 -0.704 -5.820 1.00 1.00 C ATOM 390 C TRP A 27 -0.146 -1.480 -5.962 1.00 1.00 C ATOM 391 O TRP A 27 -0.146 -2.710 -6.009 1.00 1.00 O ATOM 392 CB TRP A 27 1.333 -0.252 -4.369 1.00 1.00 C ATOM 393 CG TRP A 27 1.514 -1.448 -3.491 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.708 -1.984 -3.145 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.496 -2.264 -2.841 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.487 -3.076 -2.325 1.00 1.00 N ATOM 397 CE2 TRP A 27 1.140 -3.289 -2.109 1.00 1.00 C ATOM 398 CE3 TRP A 27 -0.909 -2.213 -2.818 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.415 -4.230 -1.378 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.642 -3.159 -2.083 1.00 1.00 C ATOM 401 CH2 TRP A 27 -0.982 -4.165 -1.365 1.00 1.00 C ATOM 0 H TRP A 27 0.771 1.306 -6.284 1.00 1.00 H new ATOM 0 HA TRP A 27 1.988 -1.352 -6.098 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.197 0.408 -4.285 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.463 0.320 -4.047 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.675 -1.619 -3.458 1.00 1.00 H new ATOM 0 HE1 TRP A 27 3.229 -3.653 -1.928 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.427 -1.442 -3.369 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.929 -5.003 -0.826 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.721 -3.111 -2.071 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.552 -4.890 -0.802 1.00 1.00 H new ATOM 412 N LEU A 28 -1.255 -0.751 -6.033 1.00 1.00 N ATOM 413 CA LEU A 28 -2.563 -1.377 -6.175 1.00 1.00 C ATOM 414 C LEU A 28 -2.558 -2.372 -7.332 1.00 1.00 C ATOM 415 O LEU A 28 -2.699 -3.577 -7.129 1.00 1.00 O ATOM 416 CB LEU A 28 -3.629 -0.307 -6.430 1.00 1.00 C ATOM 417 CG LEU A 28 -3.970 0.410 -5.118 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.433 1.840 -5.413 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.096 -0.336 -4.398 1.00 1.00 C ATOM 0 H LEU A 28 -1.274 0.268 -5.995 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.792 -1.909 -5.251 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.267 0.412 -7.165 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.525 -0.766 -6.848 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.081 0.433 -4.488 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.674 2.345 -4.477 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.637 2.382 -5.923 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.318 1.812 -6.049 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.335 0.177 -3.466 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -5.980 -0.362 -5.035 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.776 -1.355 -4.179 1.00 1.00 H new ATOM 431 N ARG A 29 -2.395 -1.856 -8.547 1.00 1.00 N ATOM 432 CA ARG A 29 -2.376 -2.707 -9.731 1.00 1.00 C ATOM 433 C ARG A 29 -1.424 -3.882 -9.533 1.00 1.00 C ATOM 434 O ARG A 29 -1.634 -4.963 -10.084 1.00 1.00 O ATOM 435 CB ARG A 29 -1.944 -1.894 -10.954 1.00 1.00 C ATOM 436 CG ARG A 29 -0.608 -1.206 -10.673 1.00 1.00 C ATOM 437 CD ARG A 29 -0.108 -0.529 -11.950 1.00 1.00 C ATOM 438 NE ARG A 29 -1.225 0.060 -12.680 1.00 1.00 N ATOM 439 CZ ARG A 29 -1.776 1.203 -12.286 1.00 1.00 C ATOM 440 NH1 ARG A 29 -1.319 1.818 -11.228 1.00 1.00 N ATOM 441 NH2 ARG A 29 -2.773 1.713 -12.957 1.00 1.00 N ATOM 0 H ARG A 29 -2.275 -0.861 -8.736 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.382 -3.095 -9.892 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -1.852 -2.547 -11.822 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.703 -1.150 -11.194 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.726 -0.468 -9.879 1.00 1.00 H new ATOM 0 HG3 ARG A 29 0.123 -1.935 -10.324 1.00 1.00 H new ATOM 0 HD2 ARG A 29 0.620 0.243 -11.700 1.00 1.00 H new ATOM 0 HD3 ARG A 29 0.404 -1.257 -12.580 1.00 1.00 H new ATOM 0 HE ARG A 29 -1.589 -0.414 -13.507 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -0.539 1.421 -10.704 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -1.742 2.695 -10.926 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -3.129 1.234 -13.784 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -3.196 2.590 -12.654 1.00 1.00 H new ATOM 455 N ALA A 30 -0.379 -3.665 -8.742 1.00 1.00 N ATOM 456 CA ALA A 30 0.599 -4.715 -8.479 1.00 1.00 C ATOM 457 C ALA A 30 0.032 -5.739 -7.501 1.00 1.00 C ATOM 458 O ALA A 30 0.435 -6.901 -7.500 1.00 1.00 O ATOM 459 CB ALA A 30 1.877 -4.108 -7.901 1.00 1.00 C ATOM 0 H ALA A 30 -0.188 -2.779 -8.275 1.00 1.00 H new ATOM 0 HA ALA A 30 0.830 -5.215 -9.420 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.601 -4.900 -7.708 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.297 -3.398 -8.613 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.646 -3.593 -6.969 1.00 1.00 H new ATOM 465 N ALA A 31 -0.903 -5.296 -6.668 1.00 1.00 N ATOM 466 CA ALA A 31 -1.519 -6.179 -5.685 1.00 1.00 C ATOM 467 C ALA A 31 -2.680 -6.949 -6.307 1.00 1.00 C ATOM 468 O ALA A 31 -2.865 -8.136 -6.040 1.00 1.00 O ATOM 469 CB ALA A 31 -2.022 -5.361 -4.496 1.00 1.00 C ATOM 0 H ALA A 31 -1.249 -4.337 -6.653 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.770 -6.893 -5.344 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.481 -6.026 -3.765 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.185 -4.837 -4.035 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.759 -4.635 -4.839 1.00 1.00 H new ATOM 475 N GLY A 32 -3.458 -6.265 -7.139 1.00 1.00 N ATOM 476 CA GLY A 32 -4.599 -6.893 -7.796 1.00 1.00 C ATOM 477 C GLY A 32 -5.822 -5.984 -7.754 1.00 1.00 C ATOM 478 O GLY A 32 -6.959 -6.457 -7.730 1.00 1.00 O ATOM 0 H GLY A 32 -3.321 -5.282 -7.374 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -4.347 -7.121 -8.831 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.828 -7.840 -7.308 1.00 1.00 H new ATOM 482 N PHE A 33 -5.582 -4.678 -7.744 1.00 1.00 N ATOM 483 CA PHE A 33 -6.668 -3.707 -7.703 1.00 1.00 C ATOM 484 C PHE A 33 -6.356 -2.525 -8.614 1.00 1.00 C ATOM 485 O PHE A 33 -6.357 -1.373 -8.179 1.00 1.00 O ATOM 486 CB PHE A 33 -6.871 -3.221 -6.268 1.00 1.00 C ATOM 487 CG PHE A 33 -6.772 -4.402 -5.332 1.00 1.00 C ATOM 488 CD1 PHE A 33 -7.703 -5.444 -5.428 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.751 -4.462 -4.377 1.00 1.00 C ATOM 490 CE1 PHE A 33 -7.612 -6.545 -4.568 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.660 -5.562 -3.516 1.00 1.00 C ATOM 492 CZ PHE A 33 -6.591 -6.605 -3.611 1.00 1.00 C ATOM 0 H PHE A 33 -4.648 -4.268 -7.764 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.583 -4.185 -8.054 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -6.119 -2.474 -6.013 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.844 -2.741 -6.167 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -8.491 -5.398 -6.165 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.033 -3.659 -4.304 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -8.330 -7.349 -4.643 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.872 -5.607 -2.779 1.00 1.00 H new ATOM 0 HZ PHE A 33 -6.521 -7.454 -2.947 1.00 1.00 H new ATOM 502 N PRO A 34 -6.086 -2.793 -9.866 1.00 1.00 N ATOM 503 CA PRO A 34 -5.759 -1.735 -10.866 1.00 1.00 C ATOM 504 C PRO A 34 -6.966 -0.858 -11.181 1.00 1.00 C ATOM 505 O PRO A 34 -6.821 0.311 -11.539 1.00 1.00 O ATOM 506 CB PRO A 34 -5.321 -2.521 -12.104 1.00 1.00 C ATOM 507 CG PRO A 34 -5.946 -3.868 -11.964 1.00 1.00 C ATOM 508 CD PRO A 34 -6.067 -4.138 -10.464 1.00 1.00 C ATOM 0 HA PRO A 34 -4.993 -1.051 -10.501 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.651 -2.028 -13.018 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.235 -2.596 -12.157 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.925 -3.893 -12.443 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.336 -4.631 -12.447 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -6.975 -4.693 -10.229 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.228 -4.728 -10.095 1.00 1.00 H new ATOM 516 N GLN A 35 -8.156 -1.431 -11.042 1.00 1.00 N ATOM 517 CA GLN A 35 -9.381 -0.692 -11.312 1.00 1.00 C ATOM 518 C GLN A 35 -9.484 0.520 -10.393 1.00 1.00 C ATOM 519 O GLN A 35 -10.285 1.423 -10.626 1.00 1.00 O ATOM 520 CB GLN A 35 -10.594 -1.597 -11.098 1.00 1.00 C ATOM 521 CG GLN A 35 -10.668 -2.013 -9.628 1.00 1.00 C ATOM 522 CD GLN A 35 -11.407 -0.949 -8.822 1.00 1.00 C ATOM 523 OE1 GLN A 35 -10.780 -0.308 -7.874 1.00 1.00 O flip ATOM 524 NE2 GLN A 35 -12.588 -0.696 -9.063 1.00 1.00 N flip ATOM 0 H GLN A 35 -8.297 -2.397 -10.746 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.359 -0.352 -12.347 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.506 -1.074 -11.385 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.519 -2.480 -11.733 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.181 -2.971 -9.538 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -9.663 -2.150 -9.229 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -13.076 -1.198 -9.805 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -13.078 0.016 -8.521 1.00 1.00 H new ATOM 533 N TYR A 36 -8.666 0.530 -9.343 1.00 1.00 N ATOM 534 CA TYR A 36 -8.680 1.635 -8.394 1.00 1.00 C ATOM 535 C TYR A 36 -7.894 2.822 -8.936 1.00 1.00 C ATOM 536 O TYR A 36 -8.472 3.864 -9.245 1.00 1.00 O ATOM 537 CB TYR A 36 -8.072 1.188 -7.066 1.00 1.00 C ATOM 538 CG TYR A 36 -9.021 1.521 -5.941 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.512 2.825 -5.804 1.00 1.00 C ATOM 540 CD2 TYR A 36 -9.410 0.527 -5.036 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.393 3.133 -4.761 1.00 1.00 C ATOM 542 CE2 TYR A 36 -10.292 0.835 -3.994 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.783 2.139 -3.856 1.00 1.00 C ATOM 544 OH TYR A 36 -11.652 2.448 -2.831 1.00 1.00 O ATOM 0 H TYR A 36 -7.993 -0.207 -9.131 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.715 1.940 -8.240 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.877 0.116 -7.086 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.114 1.684 -6.907 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.211 3.592 -6.502 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -9.029 -0.478 -5.142 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -10.772 4.139 -4.654 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -10.594 0.067 -3.297 1.00 1.00 H new ATOM 0 HH TYR A 36 -11.256 3.143 -2.264 1.00 1.00 H new ATOM 554 N ALA A 37 -6.576 2.657 -9.049 1.00 1.00 N ATOM 555 CA ALA A 37 -5.708 3.720 -9.556 1.00 1.00 C ATOM 556 C ALA A 37 -6.408 4.508 -10.656 1.00 1.00 C ATOM 557 O ALA A 37 -6.224 5.715 -10.786 1.00 1.00 O ATOM 558 CB ALA A 37 -4.415 3.116 -10.106 1.00 1.00 C ATOM 0 H ALA A 37 -6.086 1.798 -8.797 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.476 4.396 -8.733 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -3.773 3.912 -10.482 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -3.898 2.578 -9.312 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.651 2.427 -10.917 1.00 1.00 H new ATOM 564 N GLN A 38 -7.212 3.809 -11.446 1.00 1.00 N ATOM 565 CA GLN A 38 -7.941 4.444 -12.533 1.00 1.00 C ATOM 566 C GLN A 38 -8.817 5.581 -12.010 1.00 1.00 C ATOM 567 O GLN A 38 -8.882 6.654 -12.608 1.00 1.00 O ATOM 568 CB GLN A 38 -8.813 3.402 -13.233 1.00 1.00 C ATOM 569 CG GLN A 38 -8.388 3.280 -14.696 1.00 1.00 C ATOM 570 CD GLN A 38 -8.644 4.594 -15.428 1.00 1.00 C ATOM 571 OE1 GLN A 38 -9.543 5.421 -14.970 1.00 1.00 O flip ATOM 572 NE2 GLN A 38 -8.005 4.874 -16.442 1.00 1.00 N flip ATOM 0 H GLN A 38 -7.375 2.806 -11.354 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.223 4.862 -13.239 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -8.717 2.438 -12.734 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -9.862 3.690 -13.171 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.331 3.022 -14.755 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -8.941 2.473 -15.177 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -7.303 4.225 -16.798 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -8.178 5.755 -16.927 1.00 1.00 H new ATOM 581 N LEU A 39 -9.494 5.334 -10.892 1.00 1.00 N ATOM 582 CA LEU A 39 -10.370 6.340 -10.300 1.00 1.00 C ATOM 583 C LEU A 39 -9.587 7.594 -9.914 1.00 1.00 C ATOM 584 O LEU A 39 -10.053 8.713 -10.130 1.00 1.00 O ATOM 585 CB LEU A 39 -11.063 5.770 -9.057 1.00 1.00 C ATOM 586 CG LEU A 39 -12.453 5.242 -9.426 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.316 4.078 -10.407 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.163 4.758 -8.159 1.00 1.00 C ATOM 0 H LEU A 39 -9.454 4.452 -10.381 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.118 6.612 -11.045 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.461 4.967 -8.632 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.150 6.542 -8.293 1.00 1.00 H new ATOM 0 HG LEU A 39 -13.033 6.040 -9.890 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -13.306 3.704 -10.668 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.808 4.420 -11.309 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -11.736 3.279 -9.945 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.153 4.382 -8.418 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -12.581 3.960 -7.698 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.262 5.587 -7.458 1.00 1.00 H new ATOM 600 N TYR A 40 -8.401 7.406 -9.340 1.00 1.00 N ATOM 601 CA TYR A 40 -7.580 8.544 -8.933 1.00 1.00 C ATOM 602 C TYR A 40 -7.594 9.620 -10.009 1.00 1.00 C ATOM 603 O TYR A 40 -7.846 10.792 -9.728 1.00 1.00 O ATOM 604 CB TYR A 40 -6.138 8.096 -8.682 1.00 1.00 C ATOM 605 CG TYR A 40 -5.301 9.288 -8.278 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.574 9.958 -7.080 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.254 9.719 -9.100 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.798 11.060 -6.703 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.478 10.823 -8.722 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.750 11.493 -7.524 1.00 1.00 C ATOM 611 OH TYR A 40 -2.984 12.580 -7.151 1.00 1.00 O ATOM 0 H TYR A 40 -7.992 6.492 -9.148 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.996 8.953 -8.012 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -6.113 7.339 -7.899 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.727 7.638 -9.582 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -6.383 9.625 -6.447 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -4.044 9.202 -10.024 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -5.008 11.577 -5.778 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.670 11.157 -9.356 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.945 12.633 -6.173 1.00 1.00 H new ATOM 621 N GLU A 41 -7.319 9.212 -11.241 1.00 1.00 N ATOM 622 CA GLU A 41 -7.300 10.146 -12.358 1.00 1.00 C ATOM 623 C GLU A 41 -8.538 11.037 -12.335 1.00 1.00 C ATOM 624 O GLU A 41 -8.489 12.193 -12.756 1.00 1.00 O ATOM 625 CB GLU A 41 -7.246 9.376 -13.680 1.00 1.00 C ATOM 626 CG GLU A 41 -6.224 8.243 -13.568 1.00 1.00 C ATOM 627 CD GLU A 41 -5.660 7.911 -14.946 1.00 1.00 C ATOM 628 OE1 GLU A 41 -6.270 8.305 -15.925 1.00 1.00 O ATOM 629 OE2 GLU A 41 -4.625 7.267 -15.000 1.00 1.00 O ATOM 0 H GLU A 41 -7.107 8.246 -11.491 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.414 10.775 -12.267 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.230 8.971 -13.918 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -6.973 10.048 -14.494 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.417 8.535 -12.896 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -6.694 7.360 -13.136 1.00 1.00 H new ATOM 636 N ASP A 42 -9.648 10.494 -11.844 1.00 1.00 N ATOM 637 CA ASP A 42 -10.892 11.254 -11.773 1.00 1.00 C ATOM 638 C ASP A 42 -11.052 11.900 -10.400 1.00 1.00 C ATOM 639 O ASP A 42 -11.928 12.739 -10.197 1.00 1.00 O ATOM 640 CB ASP A 42 -12.083 10.331 -12.043 1.00 1.00 C ATOM 641 CG ASP A 42 -12.953 10.911 -13.152 1.00 1.00 C ATOM 642 OD1 ASP A 42 -12.606 10.726 -14.307 1.00 1.00 O ATOM 643 OD2 ASP A 42 -13.955 11.527 -12.830 1.00 1.00 O ATOM 0 H ASP A 42 -9.712 9.539 -11.492 1.00 1.00 H new ATOM 0 HA ASP A 42 -10.858 12.038 -12.529 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.728 9.341 -12.328 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.672 10.209 -11.134 1.00 1.00 H new ATOM 648 N SER A 43 -10.195 11.500 -9.463 1.00 1.00 N ATOM 649 CA SER A 43 -10.241 12.041 -8.108 1.00 1.00 C ATOM 650 C SER A 43 -11.313 11.334 -7.284 1.00 1.00 C ATOM 651 O SER A 43 -11.754 11.844 -6.254 1.00 1.00 O ATOM 652 CB SER A 43 -10.526 13.543 -8.144 1.00 1.00 C ATOM 653 OG SER A 43 -9.870 14.170 -7.051 1.00 1.00 O ATOM 0 H SER A 43 -9.463 10.806 -9.617 1.00 1.00 H new ATOM 0 HA SER A 43 -9.270 11.873 -7.642 1.00 1.00 H new ATOM 0 HB2 SER A 43 -10.178 13.969 -9.085 1.00 1.00 H new ATOM 0 HB3 SER A 43 -11.600 13.723 -8.091 1.00 1.00 H new ATOM 0 HG SER A 43 -8.905 14.008 -7.112 1.00 1.00 H new ATOM 659 N GLN A 44 -11.723 10.158 -7.743 1.00 1.00 N ATOM 660 CA GLN A 44 -12.740 9.385 -7.040 1.00 1.00 C ATOM 661 C GLN A 44 -12.088 8.432 -6.047 1.00 1.00 C ATOM 662 O GLN A 44 -12.652 7.395 -5.702 1.00 1.00 O ATOM 663 CB GLN A 44 -13.572 8.584 -8.042 1.00 1.00 C ATOM 664 CG GLN A 44 -14.461 9.533 -8.845 1.00 1.00 C ATOM 665 CD GLN A 44 -15.709 9.881 -8.043 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.856 11.011 -7.579 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.620 8.968 -7.843 1.00 1.00 N ATOM 0 H GLN A 44 -11.370 9.720 -8.594 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.388 10.075 -6.499 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -12.916 8.029 -8.713 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.185 7.851 -7.517 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.910 10.441 -9.089 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.743 9.068 -9.790 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.497 8.032 -8.228 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.455 9.191 -7.301 1.00 1.00 H new ATOM 676 N PHE A 45 -10.891 8.791 -5.597 1.00 1.00 N ATOM 677 CA PHE A 45 -10.161 7.959 -4.650 1.00 1.00 C ATOM 678 C PHE A 45 -10.742 8.062 -3.250 1.00 1.00 C ATOM 679 O PHE A 45 -10.813 7.062 -2.537 1.00 1.00 O ATOM 680 CB PHE A 45 -8.689 8.359 -4.624 1.00 1.00 C ATOM 681 CG PHE A 45 -7.834 7.164 -4.982 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.007 6.528 -6.218 1.00 1.00 C ATOM 683 CD2 PHE A 45 -6.866 6.697 -4.085 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.212 5.426 -6.555 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.072 5.596 -4.422 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.244 4.960 -5.657 1.00 1.00 C ATOM 0 H PHE A 45 -10.409 9.647 -5.871 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.254 6.925 -4.981 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.510 9.172 -5.328 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.419 8.729 -3.635 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.753 6.888 -6.911 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -6.732 7.187 -3.132 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.345 4.935 -7.508 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -5.326 5.236 -3.729 1.00 1.00 H new ATOM 0 HZ PHE A 45 -5.630 4.110 -5.917 1.00 1.00 H new ATOM 696 N PRO A 46 -11.160 9.225 -2.828 1.00 1.00 N ATOM 697 CA PRO A 46 -11.736 9.371 -1.479 1.00 1.00 C ATOM 698 C PRO A 46 -13.159 8.839 -1.441 1.00 1.00 C ATOM 699 O PRO A 46 -14.057 9.381 -2.080 1.00 1.00 O ATOM 700 CB PRO A 46 -11.701 10.880 -1.205 1.00 1.00 C ATOM 701 CG PRO A 46 -11.363 11.561 -2.500 1.00 1.00 C ATOM 702 CD PRO A 46 -11.135 10.487 -3.568 1.00 1.00 C ATOM 0 HA PRO A 46 -11.184 8.807 -0.728 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.664 11.225 -0.829 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -10.959 11.115 -0.442 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -12.171 12.228 -2.800 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.470 12.175 -2.383 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.912 10.515 -4.332 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -10.182 10.630 -4.078 1.00 1.00 H new ATOM 710 N ILE A 47 -13.342 7.772 -0.676 1.00 1.00 N ATOM 711 CA ILE A 47 -14.651 7.141 -0.536 1.00 1.00 C ATOM 712 C ILE A 47 -14.649 6.213 0.674 1.00 1.00 C ATOM 713 O ILE A 47 -13.618 6.022 1.319 1.00 1.00 O ATOM 714 CB ILE A 47 -14.980 6.313 -1.791 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.751 5.485 -2.178 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.361 7.221 -2.967 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.128 4.480 -3.271 1.00 1.00 C ATOM 0 H ILE A 47 -12.599 7.322 -0.140 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.400 7.923 -0.407 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.826 5.664 -1.566 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -12.956 6.141 -2.532 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.365 4.959 -1.305 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.588 6.609 -3.840 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.237 7.813 -2.701 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.529 7.887 -3.197 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.251 3.893 -3.544 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.909 3.816 -2.901 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -14.493 5.015 -4.147 1.00 1.00 H new ATOM 729 N ASN A 48 -15.803 5.628 0.967 1.00 1.00 N ATOM 730 CA ASN A 48 -15.913 4.707 2.091 1.00 1.00 C ATOM 731 C ASN A 48 -14.893 3.580 1.930 1.00 1.00 C ATOM 732 O ASN A 48 -15.192 2.536 1.352 1.00 1.00 O ATOM 733 CB ASN A 48 -17.330 4.132 2.144 1.00 1.00 C ATOM 734 CG ASN A 48 -17.651 3.640 3.549 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.679 3.398 4.386 1.00 1.00 O flip ATOM 736 ND2 ASN A 48 -18.820 3.452 3.889 1.00 1.00 N flip ATOM 0 H ASN A 48 -16.669 5.773 0.448 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.711 5.238 3.021 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -18.050 4.894 1.845 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.423 3.310 1.434 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -19.578 3.642 3.234 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -19.029 3.107 4.826 1.00 1.00 H new ATOM 743 N ILE A 49 -13.682 3.812 2.433 1.00 1.00 N ATOM 744 CA ILE A 49 -12.612 2.825 2.328 1.00 1.00 C ATOM 745 C ILE A 49 -13.068 1.455 2.819 1.00 1.00 C ATOM 746 O ILE A 49 -13.194 0.519 2.036 1.00 1.00 O ATOM 747 CB ILE A 49 -11.399 3.286 3.141 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.824 4.560 2.512 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.334 2.188 3.133 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.779 5.169 3.449 1.00 1.00 C ATOM 0 H ILE A 49 -13.419 4.671 2.915 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.339 2.735 1.277 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.702 3.490 4.168 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.372 4.329 1.548 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.623 5.278 2.326 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.470 2.515 3.711 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.744 1.280 3.575 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -10.028 1.985 2.107 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.371 6.075 3.000 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -10.245 5.415 4.403 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.975 4.452 3.613 1.00 1.00 H new ATOM 762 N VAL A 50 -13.294 1.344 4.121 1.00 1.00 N ATOM 763 CA VAL A 50 -13.717 0.077 4.711 1.00 1.00 C ATOM 764 C VAL A 50 -14.677 -0.679 3.788 1.00 1.00 C ATOM 765 O VAL A 50 -14.598 -1.901 3.664 1.00 1.00 O ATOM 766 CB VAL A 50 -14.393 0.325 6.061 1.00 1.00 C ATOM 767 CG1 VAL A 50 -15.400 1.468 5.931 1.00 1.00 C ATOM 768 CG2 VAL A 50 -15.122 -0.945 6.504 1.00 1.00 C ATOM 0 H VAL A 50 -13.193 2.110 4.787 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.827 -0.536 4.853 1.00 1.00 H new ATOM 0 HB VAL A 50 -13.637 0.592 6.800 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.879 1.642 6.894 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -14.883 2.374 5.614 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -16.156 1.204 5.192 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -15.605 -0.771 7.466 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -15.876 -1.209 5.762 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -14.406 -1.761 6.600 1.00 1.00 H new ATOM 778 N ALA A 51 -15.597 0.052 3.167 1.00 1.00 N ATOM 779 CA ALA A 51 -16.586 -0.559 2.282 1.00 1.00 C ATOM 780 C ALA A 51 -15.953 -1.210 1.050 1.00 1.00 C ATOM 781 O ALA A 51 -16.487 -2.186 0.522 1.00 1.00 O ATOM 782 CB ALA A 51 -17.593 0.498 1.830 1.00 1.00 C ATOM 0 H ALA A 51 -15.680 1.065 3.259 1.00 1.00 H new ATOM 0 HA ALA A 51 -17.082 -1.346 2.851 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.330 0.040 1.170 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.097 0.917 2.701 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.072 1.292 1.296 1.00 1.00 H new ATOM 788 N VAL A 52 -14.826 -0.676 0.586 1.00 1.00 N ATOM 789 CA VAL A 52 -14.173 -1.244 -0.593 1.00 1.00 C ATOM 790 C VAL A 52 -13.266 -2.408 -0.201 1.00 1.00 C ATOM 791 O VAL A 52 -13.246 -3.442 -0.869 1.00 1.00 O ATOM 792 CB VAL A 52 -13.378 -0.164 -1.348 1.00 1.00 C ATOM 793 CG1 VAL A 52 -14.038 1.195 -1.127 1.00 1.00 C ATOM 794 CG2 VAL A 52 -11.924 -0.108 -0.856 1.00 1.00 C ATOM 0 H VAL A 52 -14.354 0.130 0.996 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.946 -1.626 -1.259 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.376 -0.414 -2.409 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -13.477 1.963 -1.660 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -15.062 1.167 -1.501 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -14.047 1.426 -0.062 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -11.384 0.663 -1.405 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -11.909 0.126 0.208 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -11.446 -1.074 -1.022 1.00 1.00 H new ATOM 804 N LYS A 53 -12.518 -2.236 0.880 1.00 1.00 N ATOM 805 CA LYS A 53 -11.615 -3.277 1.346 1.00 1.00 C ATOM 806 C LYS A 53 -12.354 -4.602 1.460 1.00 1.00 C ATOM 807 O LYS A 53 -11.742 -5.661 1.601 1.00 1.00 O ATOM 808 CB LYS A 53 -11.042 -2.892 2.704 1.00 1.00 C ATOM 809 CG LYS A 53 -10.601 -1.427 2.668 1.00 1.00 C ATOM 810 CD LYS A 53 -9.348 -1.243 3.524 1.00 1.00 C ATOM 811 CE LYS A 53 -9.652 -1.645 4.969 1.00 1.00 C ATOM 812 NZ LYS A 53 -8.996 -2.948 5.271 1.00 1.00 N ATOM 0 H LYS A 53 -12.519 -1.389 1.448 1.00 1.00 H new ATOM 0 HA LYS A 53 -10.803 -3.385 0.627 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -11.790 -3.040 3.483 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.195 -3.533 2.950 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.399 -1.124 1.641 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.402 -0.787 3.037 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -8.533 -1.851 3.130 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -9.018 -0.205 3.486 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -9.293 -0.877 5.654 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.729 -1.725 5.116 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -8.814 -3.016 6.293 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -9.620 -3.727 4.977 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -8.096 -3.012 4.754 1.00 1.00 H new ATOM 826 N ASN A 54 -13.675 -4.526 1.390 1.00 1.00 N ATOM 827 CA ASN A 54 -14.505 -5.716 1.474 1.00 1.00 C ATOM 828 C ASN A 54 -14.821 -6.230 0.076 1.00 1.00 C ATOM 829 O ASN A 54 -14.787 -7.433 -0.181 1.00 1.00 O ATOM 830 CB ASN A 54 -15.808 -5.390 2.206 1.00 1.00 C ATOM 831 CG ASN A 54 -15.570 -5.354 3.712 1.00 1.00 C ATOM 832 OD1 ASN A 54 -14.651 -4.567 4.200 1.00 1.00 O flip ATOM 833 ND2 ASN A 54 -16.248 -6.055 4.464 1.00 1.00 N flip ATOM 0 H ASN A 54 -14.193 -3.655 1.276 1.00 1.00 H new ATOM 0 HA ASN A 54 -13.964 -6.485 2.025 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -16.193 -4.428 1.868 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.565 -6.137 1.968 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -16.966 -6.669 4.079 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -16.092 -6.021 5.471 1.00 1.00 H new ATOM 840 N ASP A 55 -15.140 -5.302 -0.819 1.00 1.00 N ATOM 841 CA ASP A 55 -15.477 -5.661 -2.192 1.00 1.00 C ATOM 842 C ASP A 55 -14.277 -5.505 -3.121 1.00 1.00 C ATOM 843 O ASP A 55 -13.739 -6.489 -3.628 1.00 1.00 O ATOM 844 CB ASP A 55 -16.624 -4.782 -2.691 1.00 1.00 C ATOM 845 CG ASP A 55 -17.688 -4.647 -1.607 1.00 1.00 C ATOM 846 OD1 ASP A 55 -17.886 -5.605 -0.878 1.00 1.00 O ATOM 847 OD2 ASP A 55 -18.287 -3.588 -1.522 1.00 1.00 O ATOM 0 H ASP A 55 -15.172 -4.302 -0.621 1.00 1.00 H new ATOM 0 HA ASP A 55 -15.780 -6.708 -2.199 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -16.246 -3.797 -2.965 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -17.062 -5.217 -3.590 1.00 1.00 H new ATOM 852 N HIS A 56 -13.866 -4.261 -3.348 1.00 1.00 N ATOM 853 CA HIS A 56 -12.734 -3.988 -4.229 1.00 1.00 C ATOM 854 C HIS A 56 -11.553 -4.890 -3.895 1.00 1.00 C ATOM 855 O HIS A 56 -10.692 -5.138 -4.740 1.00 1.00 O ATOM 856 CB HIS A 56 -12.310 -2.525 -4.101 1.00 1.00 C ATOM 857 CG HIS A 56 -13.372 -1.640 -4.692 1.00 1.00 C ATOM 858 ND1 HIS A 56 -14.708 -1.753 -4.337 1.00 1.00 N ATOM 859 CD2 HIS A 56 -13.313 -0.622 -5.610 1.00 1.00 C ATOM 860 CE1 HIS A 56 -15.393 -0.826 -5.032 1.00 1.00 C ATOM 861 NE2 HIS A 56 -14.589 -0.108 -5.824 1.00 1.00 N ATOM 0 H HIS A 56 -14.295 -3.432 -2.938 1.00 1.00 H new ATOM 0 HA HIS A 56 -13.048 -4.189 -5.253 1.00 1.00 H new ATOM 0 HB2 HIS A 56 -12.153 -2.272 -3.053 1.00 1.00 H new ATOM 0 HB3 HIS A 56 -11.361 -2.364 -4.613 1.00 1.00 H new ATOM 0 HD2 HIS A 56 -12.413 -0.272 -6.093 1.00 1.00 H new ATOM 0 HE1 HIS A 56 -16.461 -0.680 -4.959 1.00 1.00 H new ATOM 0 HE2 HIS A 56 -14.854 0.652 -6.450 1.00 1.00 H new ATOM 869 N ASP A 57 -11.511 -5.376 -2.660 1.00 1.00 N ATOM 870 CA ASP A 57 -10.421 -6.244 -2.236 1.00 1.00 C ATOM 871 C ASP A 57 -10.934 -7.359 -1.333 1.00 1.00 C ATOM 872 O ASP A 57 -11.609 -7.107 -0.336 1.00 1.00 O ATOM 873 CB ASP A 57 -9.366 -5.428 -1.491 1.00 1.00 C ATOM 874 CG ASP A 57 -8.136 -6.284 -1.216 1.00 1.00 C ATOM 875 OD1 ASP A 57 -8.276 -7.495 -1.164 1.00 1.00 O ATOM 876 OD2 ASP A 57 -7.069 -5.714 -1.059 1.00 1.00 O ATOM 0 H ASP A 57 -12.211 -5.186 -1.942 1.00 1.00 H new ATOM 0 HA ASP A 57 -9.977 -6.693 -3.125 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -9.086 -4.556 -2.082 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.778 -5.058 -0.552 1.00 1.00 H new ATOM 881 N PHE A 58 -10.606 -8.594 -1.694 1.00 1.00 N ATOM 882 CA PHE A 58 -11.030 -9.749 -0.917 1.00 1.00 C ATOM 883 C PHE A 58 -9.908 -10.779 -0.862 1.00 1.00 C ATOM 884 O PHE A 58 -9.961 -11.734 -0.088 1.00 1.00 O ATOM 885 CB PHE A 58 -12.269 -10.372 -1.555 1.00 1.00 C ATOM 886 CG PHE A 58 -12.435 -11.785 -1.056 1.00 1.00 C ATOM 887 CD1 PHE A 58 -13.140 -12.033 0.127 1.00 1.00 C ATOM 888 CD2 PHE A 58 -11.885 -12.851 -1.779 1.00 1.00 C ATOM 889 CE1 PHE A 58 -13.296 -13.345 0.588 1.00 1.00 C ATOM 890 CE2 PHE A 58 -12.040 -14.163 -1.319 1.00 1.00 C ATOM 891 CZ PHE A 58 -12.746 -14.411 -0.135 1.00 1.00 C ATOM 0 H PHE A 58 -10.049 -8.820 -2.518 1.00 1.00 H new ATOM 0 HA PHE A 58 -11.269 -9.428 0.097 1.00 1.00 H new ATOM 0 HB2 PHE A 58 -13.153 -9.782 -1.310 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -12.173 -10.367 -2.641 1.00 1.00 H new ATOM 0 HD1 PHE A 58 -13.564 -11.211 0.685 1.00 1.00 H new ATOM 0 HD2 PHE A 58 -11.341 -12.660 -2.692 1.00 1.00 H new ATOM 0 HE1 PHE A 58 -13.840 -13.536 1.501 1.00 1.00 H new ATOM 0 HE2 PHE A 58 -11.615 -14.985 -1.877 1.00 1.00 H new ATOM 0 HZ PHE A 58 -12.866 -15.424 0.220 1.00 1.00 H new ATOM 901 N LEU A 59 -8.894 -10.571 -1.694 1.00 1.00 N ATOM 902 CA LEU A 59 -7.755 -11.478 -1.747 1.00 1.00 C ATOM 903 C LEU A 59 -7.143 -11.652 -0.361 1.00 1.00 C ATOM 904 O LEU A 59 -7.708 -11.208 0.638 1.00 1.00 O ATOM 905 CB LEU A 59 -6.702 -10.925 -2.708 1.00 1.00 C ATOM 906 CG LEU A 59 -6.378 -11.972 -3.773 1.00 1.00 C ATOM 907 CD1 LEU A 59 -7.597 -12.183 -4.671 1.00 1.00 C ATOM 908 CD2 LEU A 59 -5.200 -11.486 -4.620 1.00 1.00 C ATOM 0 H LEU A 59 -8.838 -9.784 -2.340 1.00 1.00 H new ATOM 0 HA LEU A 59 -8.099 -12.450 -2.101 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -7.069 -10.013 -3.180 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -5.799 -10.659 -2.159 1.00 1.00 H new ATOM 0 HG LEU A 59 -6.117 -12.913 -3.290 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -7.365 -12.930 -5.430 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -8.438 -12.527 -4.068 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -7.859 -11.242 -5.156 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -4.967 -12.231 -5.381 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -5.463 -10.545 -5.103 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -4.330 -11.335 -3.981 1.00 1.00 H new ATOM 920 N GLU A 60 -5.985 -12.304 -0.311 1.00 1.00 N ATOM 921 CA GLU A 60 -5.301 -12.537 0.957 1.00 1.00 C ATOM 922 C GLU A 60 -5.388 -11.301 1.849 1.00 1.00 C ATOM 923 O GLU A 60 -5.569 -10.186 1.364 1.00 1.00 O ATOM 924 CB GLU A 60 -3.830 -12.888 0.710 1.00 1.00 C ATOM 925 CG GLU A 60 -3.426 -12.468 -0.706 1.00 1.00 C ATOM 926 CD GLU A 60 -1.909 -12.517 -0.850 1.00 1.00 C ATOM 927 OE1 GLU A 60 -1.306 -13.405 -0.271 1.00 1.00 O ATOM 928 OE2 GLU A 60 -1.372 -11.670 -1.544 1.00 1.00 O ATOM 0 H GLU A 60 -5.503 -12.678 -1.128 1.00 1.00 H new ATOM 0 HA GLU A 60 -5.791 -13.371 1.459 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -3.199 -12.385 1.442 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -3.676 -13.959 0.839 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -3.891 -13.129 -1.437 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -3.787 -11.461 -0.913 1.00 1.00 H new ATOM 935 N LYS A 61 -5.263 -11.512 3.156 1.00 1.00 N ATOM 936 CA LYS A 61 -5.334 -10.409 4.108 1.00 1.00 C ATOM 937 C LYS A 61 -4.101 -9.516 3.996 1.00 1.00 C ATOM 938 O LYS A 61 -4.127 -8.356 4.403 1.00 1.00 O ATOM 939 CB LYS A 61 -5.442 -10.955 5.532 1.00 1.00 C ATOM 940 CG LYS A 61 -6.788 -10.548 6.137 1.00 1.00 C ATOM 941 CD LYS A 61 -6.839 -9.028 6.300 1.00 1.00 C ATOM 942 CE LYS A 61 -6.964 -8.675 7.783 1.00 1.00 C ATOM 943 NZ LYS A 61 -7.064 -7.197 7.937 1.00 1.00 N ATOM 0 H LYS A 61 -5.113 -12.429 3.577 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.218 -9.815 3.877 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.349 -12.041 5.524 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.626 -10.570 6.143 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -7.603 -10.882 5.495 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -6.925 -11.032 7.104 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -5.938 -8.577 5.883 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -7.685 -8.621 5.746 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -7.845 -9.156 8.209 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -6.100 -9.050 8.331 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -7.149 -6.958 8.946 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -6.211 -6.749 7.546 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -7.902 -6.851 7.427 1.00 1.00 H new ATOM 957 N ASP A 62 -3.027 -10.063 3.438 1.00 1.00 N ATOM 958 CA ASP A 62 -1.796 -9.297 3.274 1.00 1.00 C ATOM 959 C ASP A 62 -1.959 -8.271 2.160 1.00 1.00 C ATOM 960 O ASP A 62 -1.004 -7.594 1.779 1.00 1.00 O ATOM 961 CB ASP A 62 -0.637 -10.237 2.938 1.00 1.00 C ATOM 962 CG ASP A 62 -0.975 -11.052 1.694 1.00 1.00 C ATOM 963 OD1 ASP A 62 -1.680 -10.532 0.845 1.00 1.00 O ATOM 964 OD2 ASP A 62 -0.534 -12.186 1.614 1.00 1.00 O ATOM 0 H ASP A 62 -2.982 -11.023 3.095 1.00 1.00 H new ATOM 0 HA ASP A 62 -1.581 -8.778 4.208 1.00 1.00 H new ATOM 0 HB2 ASP A 62 0.273 -9.661 2.770 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -0.442 -10.903 3.778 1.00 1.00 H new ATOM 969 N LEU A 63 -3.179 -8.168 1.641 1.00 1.00 N ATOM 970 CA LEU A 63 -3.475 -7.227 0.567 1.00 1.00 C ATOM 971 C LEU A 63 -4.679 -6.365 0.929 1.00 1.00 C ATOM 972 O LEU A 63 -5.068 -5.476 0.172 1.00 1.00 O ATOM 973 CB LEU A 63 -3.760 -7.993 -0.726 1.00 1.00 C ATOM 974 CG LEU A 63 -2.793 -7.535 -1.819 1.00 1.00 C ATOM 975 CD1 LEU A 63 -1.362 -7.915 -1.434 1.00 1.00 C ATOM 976 CD2 LEU A 63 -3.161 -8.218 -3.139 1.00 1.00 C ATOM 0 H LEU A 63 -3.977 -8.724 1.947 1.00 1.00 H new ATOM 0 HA LEU A 63 -2.611 -6.578 0.423 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -3.652 -9.064 -0.557 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.789 -7.822 -1.042 1.00 1.00 H new ATOM 0 HG LEU A 63 -2.861 -6.453 -1.932 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -0.676 -7.587 -2.215 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -1.098 -7.432 -0.493 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.291 -8.997 -1.319 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.474 -7.894 -3.920 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -3.092 -9.299 -3.021 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -4.180 -7.948 -3.417 1.00 1.00 H new ATOM 988 N VAL A 64 -5.265 -6.634 2.091 1.00 1.00 N ATOM 989 CA VAL A 64 -6.427 -5.879 2.545 1.00 1.00 C ATOM 990 C VAL A 64 -6.000 -4.652 3.345 1.00 1.00 C ATOM 991 O VAL A 64 -6.348 -3.524 2.997 1.00 1.00 O ATOM 992 CB VAL A 64 -7.321 -6.768 3.408 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.222 -5.892 4.281 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.188 -7.648 2.506 1.00 1.00 C ATOM 0 H VAL A 64 -4.957 -7.365 2.732 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.981 -5.546 1.668 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.700 -7.399 4.044 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.860 -6.526 4.897 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.606 -5.264 4.924 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.843 -5.261 3.645 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.826 -8.282 3.121 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.809 -7.017 1.870 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.548 -8.273 1.883 1.00 1.00 H new ATOM 1004 N GLU A 65 -5.249 -4.877 4.420 1.00 1.00 N ATOM 1005 CA GLU A 65 -4.792 -3.774 5.257 1.00 1.00 C ATOM 1006 C GLU A 65 -4.042 -2.738 4.422 1.00 1.00 C ATOM 1007 O GLU A 65 -4.317 -1.542 4.520 1.00 1.00 O ATOM 1008 CB GLU A 65 -3.892 -4.295 6.381 1.00 1.00 C ATOM 1009 CG GLU A 65 -4.520 -3.969 7.738 1.00 1.00 C ATOM 1010 CD GLU A 65 -4.547 -2.459 7.950 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -3.494 -1.899 8.205 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -5.621 -1.886 7.862 1.00 1.00 O ATOM 0 H GLU A 65 -4.948 -5.801 4.728 1.00 1.00 H new ATOM 0 HA GLU A 65 -5.666 -3.296 5.699 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -3.756 -5.372 6.282 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.904 -3.841 6.308 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -5.533 -4.369 7.785 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -3.951 -4.447 8.536 1.00 1.00 H new ATOM 1019 N PRO A 66 -3.113 -3.164 3.598 1.00 1.00 N ATOM 1020 CA PRO A 66 -2.334 -2.232 2.733 1.00 1.00 C ATOM 1021 C PRO A 66 -3.250 -1.376 1.865 1.00 1.00 C ATOM 1022 O PRO A 66 -2.940 -0.226 1.562 1.00 1.00 O ATOM 1023 CB PRO A 66 -1.471 -3.152 1.866 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.415 -4.456 2.589 1.00 1.00 C ATOM 1025 CD PRO A 66 -2.702 -4.563 3.401 1.00 1.00 C ATOM 0 HA PRO A 66 -1.743 -1.529 3.320 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -1.904 -3.274 0.873 1.00 1.00 H new ATOM 0 HB3 PRO A 66 -0.472 -2.737 1.729 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.331 -5.285 1.886 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.542 -4.500 3.240 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -3.464 -5.132 2.869 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -2.534 -5.068 4.352 1.00 1.00 H new ATOM 1033 N LEU A 67 -4.382 -1.948 1.471 1.00 1.00 N ATOM 1034 CA LEU A 67 -5.338 -1.224 0.642 1.00 1.00 C ATOM 1035 C LEU A 67 -5.842 0.010 1.380 1.00 1.00 C ATOM 1036 O LEU A 67 -6.064 1.060 0.777 1.00 1.00 O ATOM 1037 CB LEU A 67 -6.519 -2.131 0.289 1.00 1.00 C ATOM 1038 CG LEU A 67 -7.191 -1.617 -0.982 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.550 -2.277 -2.204 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.679 -1.963 -0.941 1.00 1.00 C ATOM 0 H LEU A 67 -4.658 -2.901 1.709 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.839 -0.912 -0.276 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -6.175 -3.155 0.143 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.235 -2.150 1.110 1.00 1.00 H new ATOM 0 HG LEU A 67 -7.067 -0.536 -1.048 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -7.031 -1.909 -3.110 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.488 -2.035 -2.233 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.674 -3.358 -2.141 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -9.163 -1.598 -1.847 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.799 -3.044 -0.876 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -9.138 -1.494 -0.070 1.00 1.00 H new ATOM 1052 N CYS A 68 -6.020 -0.127 2.691 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.497 0.984 3.506 1.00 1.00 C ATOM 1054 C CYS A 68 -5.403 2.029 3.682 1.00 1.00 C ATOM 1055 O CYS A 68 -5.668 3.154 4.099 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.939 0.473 4.880 1.00 1.00 C ATOM 1057 SG CYS A 68 -5.666 0.865 6.105 1.00 1.00 S ATOM 0 H CYS A 68 -5.843 -0.989 3.207 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.345 1.443 2.997 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.886 0.932 5.164 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -7.105 -0.604 4.844 1.00 1.00 H new ATOM 0 HG CYS A 68 -5.513 -0.144 6.910 1.00 1.00 H new ATOM 1063 N ARG A 69 -4.170 1.650 3.361 1.00 1.00 N ATOM 1064 CA ARG A 69 -3.045 2.569 3.491 1.00 1.00 C ATOM 1065 C ARG A 69 -2.891 3.408 2.226 1.00 1.00 C ATOM 1066 O ARG A 69 -2.915 4.638 2.283 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.755 1.787 3.750 1.00 1.00 C ATOM 1068 CG ARG A 69 -1.884 1.012 5.063 1.00 1.00 C ATOM 1069 CD ARG A 69 -1.251 1.814 6.205 1.00 1.00 C ATOM 1070 NE ARG A 69 -1.905 3.118 6.341 1.00 1.00 N ATOM 1071 CZ ARG A 69 -1.357 4.242 5.892 1.00 1.00 C ATOM 1072 NH1 ARG A 69 -0.202 4.209 5.287 1.00 1.00 N ATOM 1073 NH2 ARG A 69 -1.975 5.380 6.055 1.00 1.00 N ATOM 0 H ARG A 69 -3.926 0.723 3.013 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.239 3.234 4.333 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.562 1.099 2.927 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.907 2.470 3.800 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -2.935 0.820 5.280 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -1.395 0.042 4.973 1.00 1.00 H new ATOM 0 HD2 ARG A 69 -1.337 1.258 7.139 1.00 1.00 H new ATOM 0 HD3 ARG A 69 -0.187 1.953 6.014 1.00 1.00 H new ATOM 0 HE ARG A 69 -2.816 3.165 6.798 1.00 1.00 H new ATOM 0 HH11 ARG A 69 0.281 3.320 5.158 1.00 1.00 H new ATOM 0 HH12 ARG A 69 0.218 5.072 4.943 1.00 1.00 H new ATOM 0 HH21 ARG A 69 -2.879 5.407 6.527 1.00 1.00 H new ATOM 0 HH22 ARG A 69 -1.554 6.243 5.710 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.740 2.741 1.087 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.589 3.443 -0.181 1.00 1.00 C ATOM 1089 C ARG A 70 -3.792 4.344 -0.438 1.00 1.00 C ATOM 1090 O ARG A 70 -3.639 5.538 -0.693 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.442 2.440 -1.332 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.391 1.374 -0.991 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.156 2.014 -0.346 1.00 1.00 C ATOM 1094 NE ARG A 70 0.949 1.063 -0.333 1.00 1.00 N ATOM 1095 CZ ARG A 70 0.936 0.006 0.472 1.00 1.00 C ATOM 1096 NH1 ARG A 70 -0.067 -0.181 1.286 1.00 1.00 N ATOM 1097 NH2 ARG A 70 1.926 -0.843 0.449 1.00 1.00 N ATOM 0 H ARG A 70 -2.719 1.724 1.016 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.690 4.057 -0.126 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.401 1.962 -1.529 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.154 2.964 -2.243 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.821 0.637 -0.312 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -1.099 0.842 -1.896 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.130 2.909 -0.898 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.388 2.328 0.672 1.00 1.00 H new ATOM 0 HE ARG A 70 1.746 1.212 -0.952 1.00 1.00 H new ATOM 0 HH11 ARG A 70 -0.840 0.484 1.304 1.00 1.00 H new ATOM 0 HH12 ARG A 70 -0.078 -0.992 1.904 1.00 1.00 H new ATOM 0 HH21 ARG A 70 2.710 -0.695 -0.187 1.00 1.00 H new ATOM 0 HH22 ARG A 70 1.916 -1.655 1.067 1.00 1.00 H new ATOM 1111 N LEU A 71 -4.989 3.772 -0.368 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.195 4.554 -0.596 1.00 1.00 C ATOM 1113 C LEU A 71 -6.238 5.740 0.360 1.00 1.00 C ATOM 1114 O LEU A 71 -6.357 6.887 -0.067 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.439 3.681 -0.405 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.441 2.542 -1.434 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.628 1.618 -1.164 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -7.560 3.111 -2.856 1.00 1.00 C ATOM 0 H LEU A 71 -5.148 2.786 -0.159 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.182 4.925 -1.621 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.454 3.271 0.605 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.339 4.286 -0.517 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.507 1.986 -1.348 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.632 0.808 -1.893 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -8.544 1.202 -0.160 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.556 2.184 -1.246 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -7.560 2.293 -3.576 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -8.489 3.674 -2.946 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -6.715 3.770 -3.056 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.131 5.459 1.653 1.00 1.00 N ATOM 1131 CA ASN A 72 -6.156 6.518 2.657 1.00 1.00 C ATOM 1132 C ASN A 72 -5.085 7.568 2.364 1.00 1.00 C ATOM 1133 O ASN A 72 -5.246 8.738 2.711 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.923 5.930 4.048 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.887 7.048 5.085 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -4.858 7.700 5.260 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -6.957 7.313 5.782 1.00 1.00 N ATOM 0 H ASN A 72 -6.027 4.517 2.029 1.00 1.00 H new ATOM 0 HA ASN A 72 -7.136 6.994 2.622 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.716 5.222 4.291 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.985 5.376 4.065 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -6.942 8.062 6.474 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -7.809 6.771 5.635 1.00 1.00 H new ATOM 1144 N THR A 73 -3.997 7.147 1.726 1.00 1.00 N ATOM 1145 CA THR A 73 -2.916 8.074 1.402 1.00 1.00 C ATOM 1146 C THR A 73 -3.323 8.984 0.249 1.00 1.00 C ATOM 1147 O THR A 73 -3.402 10.202 0.406 1.00 1.00 O ATOM 1148 CB THR A 73 -1.649 7.302 1.024 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.334 6.377 2.055 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.488 8.280 0.844 1.00 1.00 C ATOM 0 H THR A 73 -3.840 6.185 1.426 1.00 1.00 H new ATOM 0 HA THR A 73 -2.714 8.684 2.282 1.00 1.00 H new ATOM 0 HB THR A 73 -1.817 6.764 0.091 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.806 5.534 1.894 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.413 7.729 0.575 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.729 8.990 0.053 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.319 8.819 1.776 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.581 8.386 -0.909 1.00 1.00 N ATOM 1159 CA LEU A 74 -3.979 9.158 -2.078 1.00 1.00 C ATOM 1160 C LEU A 74 -5.264 9.931 -1.794 1.00 1.00 C ATOM 1161 O LEU A 74 -5.389 11.100 -2.160 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.195 8.225 -3.274 1.00 1.00 C ATOM 1163 CG LEU A 74 -2.932 8.177 -4.138 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.078 7.077 -5.193 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -2.724 9.522 -4.846 1.00 1.00 C ATOM 0 H LEU A 74 -3.522 7.379 -1.062 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.184 9.867 -2.311 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -4.444 7.223 -2.924 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.039 8.573 -3.869 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.075 7.970 -3.498 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.179 7.042 -5.809 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -3.217 6.115 -4.699 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -3.942 7.290 -5.823 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -1.823 9.476 -5.457 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -3.583 9.735 -5.482 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.618 10.312 -4.103 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.215 9.273 -1.138 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.485 9.913 -0.809 1.00 1.00 C ATOM 1179 C ASN A 75 -7.244 11.315 -0.259 1.00 1.00 C ATOM 1180 O ASN A 75 -8.100 12.192 -0.371 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.239 9.079 0.230 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.771 7.802 -0.404 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.560 7.558 -1.592 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.449 6.961 0.328 1.00 1.00 N ATOM 0 H ASN A 75 -6.132 8.305 -0.826 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.083 9.984 -1.718 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.576 8.833 1.059 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.064 9.659 0.643 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.806 6.099 -0.084 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -9.622 7.166 1.312 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.075 11.514 0.340 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.728 12.811 0.909 1.00 1.00 C ATOM 1193 C LYS A 76 -5.106 13.712 -0.152 1.00 1.00 C ATOM 1194 O LYS A 76 -5.201 14.938 -0.072 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.740 12.620 2.064 1.00 1.00 C ATOM 1196 CG LYS A 76 -4.968 13.700 3.128 1.00 1.00 C ATOM 1197 CD LYS A 76 -6.038 13.232 4.123 1.00 1.00 C ATOM 1198 CE LYS A 76 -5.498 12.087 4.991 1.00 1.00 C ATOM 1199 NZ LYS A 76 -6.261 10.841 4.697 1.00 1.00 N ATOM 0 H LYS A 76 -5.356 10.798 0.444 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.638 13.283 1.280 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.868 11.631 2.504 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -3.717 12.674 1.692 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -4.036 13.908 3.653 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -5.281 14.630 2.654 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -6.343 14.065 4.757 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -6.925 12.900 3.583 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -4.438 11.933 4.791 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -5.589 12.342 6.047 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -6.335 10.267 5.561 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -7.214 11.088 4.363 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -5.767 10.297 3.961 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.471 13.098 -1.144 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.836 13.855 -2.217 1.00 1.00 C ATOM 1215 C CYS A 77 -4.822 14.103 -3.354 1.00 1.00 C ATOM 1216 O CYS A 77 -4.627 15.003 -4.171 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.623 13.087 -2.749 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.981 13.922 -4.222 1.00 1.00 S ATOM 0 H CYS A 77 -4.382 12.085 -1.228 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.512 14.816 -1.817 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.850 13.031 -1.983 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.905 12.063 -2.992 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.929 14.621 -4.772 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.879 13.300 -3.399 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.889 13.442 -4.442 1.00 1.00 C ATOM 1226 C ALA A 78 -7.635 14.764 -4.291 1.00 1.00 C ATOM 1227 O ALA A 78 -8.344 15.195 -5.201 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.883 12.282 -4.366 1.00 1.00 C ATOM 0 H ALA A 78 -6.059 12.550 -2.732 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.388 13.430 -5.410 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.634 12.395 -5.148 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.353 11.339 -4.505 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.371 12.284 -3.391 1.00 1.00 H new ATOM 1234 N SER A 79 -7.466 15.405 -3.139 1.00 1.00 N ATOM 1235 CA SER A 79 -8.127 16.680 -2.883 1.00 1.00 C ATOM 1236 C SER A 79 -7.218 17.840 -3.272 1.00 1.00 C ATOM 1237 O SER A 79 -7.376 18.959 -2.780 1.00 1.00 O ATOM 1238 CB SER A 79 -8.494 16.791 -1.402 1.00 1.00 C ATOM 1239 OG SER A 79 -9.790 17.361 -1.281 1.00 1.00 O ATOM 0 H SER A 79 -6.882 15.067 -2.374 1.00 1.00 H new ATOM 0 HA SER A 79 -9.034 16.725 -3.485 1.00 1.00 H new ATOM 0 HB2 SER A 79 -8.472 15.806 -0.935 1.00 1.00 H new ATOM 0 HB3 SER A 79 -7.763 17.408 -0.879 1.00 1.00 H new ATOM 0 HG SER A 79 -10.029 17.432 -0.333 1.00 1.00 H new ATOM 1245 N MET A 80 -6.265 17.567 -4.158 1.00 1.00 N ATOM 1246 CA MET A 80 -5.334 18.596 -4.608 1.00 1.00 C ATOM 1247 C MET A 80 -6.040 19.604 -5.509 1.00 1.00 C ATOM 1248 O MET A 80 -7.211 19.432 -5.849 1.00 1.00 O ATOM 1249 CB MET A 80 -4.175 17.951 -5.371 1.00 1.00 C ATOM 1250 CG MET A 80 -4.720 17.203 -6.589 1.00 1.00 C ATOM 1251 SD MET A 80 -3.865 15.617 -6.754 1.00 1.00 S ATOM 1252 CE MET A 80 -4.754 15.032 -8.218 1.00 1.00 C ATOM 0 H MET A 80 -6.118 16.648 -4.576 1.00 1.00 H new ATOM 0 HA MET A 80 -4.949 19.119 -3.732 1.00 1.00 H new ATOM 0 HB2 MET A 80 -3.464 18.714 -5.688 1.00 1.00 H new ATOM 0 HB3 MET A 80 -3.635 17.263 -4.720 1.00 1.00 H new ATOM 0 HG2 MET A 80 -5.792 17.041 -6.480 1.00 1.00 H new ATOM 0 HG3 MET A 80 -4.578 17.800 -7.490 1.00 1.00 H new ATOM 0 HE1 MET A 80 -4.172 14.252 -8.709 1.00 1.00 H new ATOM 0 HE2 MET A 80 -5.722 14.629 -7.919 1.00 1.00 H new ATOM 0 HE3 MET A 80 -4.904 15.862 -8.908 1.00 1.00 H new ATOM 1262 N LYS A 81 -5.320 20.653 -5.892 1.00 1.00 N ATOM 1263 CA LYS A 81 -5.886 21.683 -6.755 1.00 1.00 C ATOM 1264 C LYS A 81 -7.317 22.008 -6.336 1.00 1.00 C ATOM 1265 O LYS A 81 -7.499 22.442 -5.211 1.00 1.00 O ATOM 1266 CB LYS A 81 -5.872 21.210 -8.211 1.00 1.00 C ATOM 1267 CG LYS A 81 -4.430 20.935 -8.646 1.00 1.00 C ATOM 1268 CD LYS A 81 -3.936 22.076 -9.539 1.00 1.00 C ATOM 1269 CE LYS A 81 -4.559 21.946 -10.930 1.00 1.00 C ATOM 1270 NZ LYS A 81 -3.543 21.412 -11.880 1.00 1.00 N ATOM 1271 OXT LYS A 81 -8.208 21.818 -7.146 1.00 1.00 O ATOM 0 H LYS A 81 -4.350 20.812 -5.621 1.00 1.00 H new ATOM 0 HA LYS A 81 -5.279 22.584 -6.660 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -6.473 20.307 -8.317 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -6.319 21.968 -8.855 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -3.787 20.841 -7.771 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -4.376 19.989 -9.185 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -4.202 23.037 -9.099 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -2.849 22.049 -9.613 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -5.423 21.282 -10.893 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -4.918 22.917 -11.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -3.965 21.323 -12.826 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -2.732 22.062 -11.922 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -3.221 20.478 -11.555 1.00 1.00 H new TER 1285 LYS A 81