USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 615 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 MET CE :methyl -114:sc= -4.33 (180deg=-11.7!) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -0.302 USER MOD Set 2.1: A 23 ASN : amide:sc= -5.43! C(o=-8.5!,f=-20!) USER MOD Set 2.2: A 24 GLN :FLIP amide:sc= -3.06! F(o=-9.4,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ 146:sc= -0.196 (180deg=-1.49) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -100:sc= -3.58! USER MOD Single : A 10 HIS : no HD1:sc= -0.461 K(o=-0.46,f=-1.7) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -23:sc= -0.405! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.9!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -177:sc= 0 (180deg=-0.0178) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00735) USER MOD Single : A 32 SER OG : rot 144:sc= -0.654 USER MOD Single : A 34 GLN : amide:sc= -0.402 K(o=-0.4,f=-3.3!) USER MOD Single : A 39 ASN : amide:sc= -0.0322 K(o=-0.032,f=-5.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 28:sc= -0.656! USER MOD Single : A 59 MET CE :methyl -176:sc= -2.27! (180deg=-2.31!) USER MOD Single : A 60 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.4) USER MOD Single : A 62 ASN : amide:sc= -0.0785 K(o=-0.079,f=-1.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 14:sc= 0.689 USER MOD Single : A 82 SER OG : rot 40:sc= 0.136 USER MOD Single : A 83 SER OG : rot 41:sc= 0.417 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.813 -9.409 -4.191 1.00 0.00 N ATOM 2 CA GLY A 1 -1.064 -9.409 -5.437 1.00 0.00 C ATOM 3 C GLY A 1 -1.793 -10.215 -6.514 1.00 0.00 C ATOM 4 O GLY A 1 -1.543 -11.408 -6.678 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.152 -9.403 -3.388 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.416 -8.563 -4.149 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.408 -10.261 -4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.920 -8.384 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.073 -9.831 -5.270 1.00 0.00 H new ATOM 8 N SER A 2 -2.680 -9.530 -7.221 1.00 0.00 N ATOM 9 CA SER A 2 -3.447 -10.167 -8.278 1.00 0.00 C ATOM 10 C SER A 2 -3.452 -9.282 -9.527 1.00 0.00 C ATOM 11 O SER A 2 -3.128 -8.098 -9.454 1.00 0.00 O ATOM 12 CB SER A 2 -4.880 -10.452 -7.824 1.00 0.00 C ATOM 13 OG SER A 2 -5.053 -11.808 -7.424 1.00 0.00 O ATOM 0 H SER A 2 -2.885 -8.540 -7.083 1.00 0.00 H new ATOM 0 HA SER A 2 -2.974 -11.120 -8.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.135 -9.794 -6.994 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.570 -10.223 -8.636 1.00 0.00 H new ATOM 0 HG SER A 2 -5.980 -11.949 -7.140 1.00 0.00 H new ATOM 19 N SER A 3 -3.823 -9.891 -10.643 1.00 0.00 N ATOM 20 CA SER A 3 -3.874 -9.174 -11.906 1.00 0.00 C ATOM 21 C SER A 3 -5.056 -8.202 -11.908 1.00 0.00 C ATOM 22 O SER A 3 -6.198 -8.608 -11.700 1.00 0.00 O ATOM 23 CB SER A 3 -3.981 -10.142 -13.086 1.00 0.00 C ATOM 24 OG SER A 3 -2.700 -10.536 -13.571 1.00 0.00 O ATOM 0 H SER A 3 -4.091 -10.873 -10.699 1.00 0.00 H new ATOM 0 HA SER A 3 -2.948 -8.611 -12.017 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.541 -11.026 -12.780 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.544 -9.671 -13.891 1.00 0.00 H new ATOM 0 HG SER A 3 -2.811 -11.155 -14.323 1.00 0.00 H new ATOM 30 N GLY A 4 -4.740 -6.937 -12.145 1.00 0.00 N ATOM 31 CA GLY A 4 -5.762 -5.905 -12.177 1.00 0.00 C ATOM 32 C GLY A 4 -6.635 -5.958 -10.922 1.00 0.00 C ATOM 33 O GLY A 4 -7.745 -6.486 -10.955 1.00 0.00 O ATOM 0 H GLY A 4 -3.791 -6.604 -12.317 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.292 -4.925 -12.256 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.384 -6.032 -13.063 1.00 0.00 H new ATOM 37 N SER A 5 -6.100 -5.404 -9.844 1.00 0.00 N ATOM 38 CA SER A 5 -6.817 -5.382 -8.580 1.00 0.00 C ATOM 39 C SER A 5 -6.577 -4.050 -7.865 1.00 0.00 C ATOM 40 O SER A 5 -7.524 -3.330 -7.553 1.00 0.00 O ATOM 41 CB SER A 5 -6.391 -6.548 -7.685 1.00 0.00 C ATOM 42 OG SER A 5 -7.433 -7.507 -7.527 1.00 0.00 O ATOM 0 H SER A 5 -5.179 -4.967 -9.820 1.00 0.00 H new ATOM 0 HA SER A 5 -7.881 -5.489 -8.789 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.514 -7.033 -8.114 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.098 -6.166 -6.707 1.00 0.00 H new ATOM 0 HG SER A 5 -7.122 -8.236 -6.951 1.00 0.00 H new ATOM 48 N SER A 6 -5.306 -3.763 -7.628 1.00 0.00 N ATOM 49 CA SER A 6 -4.930 -2.530 -6.956 1.00 0.00 C ATOM 50 C SER A 6 -3.545 -2.080 -7.426 1.00 0.00 C ATOM 51 O SER A 6 -2.602 -2.869 -7.437 1.00 0.00 O ATOM 52 CB SER A 6 -4.943 -2.705 -5.436 1.00 0.00 C ATOM 53 OG SER A 6 -5.944 -1.903 -4.816 1.00 0.00 O ATOM 0 H SER A 6 -4.523 -4.363 -7.889 1.00 0.00 H new ATOM 0 HA SER A 6 -5.661 -1.764 -7.213 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.116 -3.753 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.965 -2.442 -5.032 1.00 0.00 H new ATOM 0 HG SER A 6 -5.532 -1.095 -4.445 1.00 0.00 H new ATOM 59 N GLY A 7 -3.467 -0.812 -7.804 1.00 0.00 N ATOM 60 CA GLY A 7 -2.214 -0.247 -8.274 1.00 0.00 C ATOM 61 C GLY A 7 -1.223 -0.077 -7.121 1.00 0.00 C ATOM 62 O GLY A 7 -0.933 1.044 -6.707 1.00 0.00 O ATOM 0 H GLY A 7 -4.252 -0.160 -7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.782 -0.895 -9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.400 0.719 -8.744 1.00 0.00 H new ATOM 66 N LEU A 8 -0.730 -1.207 -6.636 1.00 0.00 N ATOM 67 CA LEU A 8 0.223 -1.198 -5.539 1.00 0.00 C ATOM 68 C LEU A 8 1.321 -2.227 -5.814 1.00 0.00 C ATOM 69 O LEU A 8 2.507 -1.916 -5.716 1.00 0.00 O ATOM 70 CB LEU A 8 -0.494 -1.407 -4.204 1.00 0.00 C ATOM 71 CG LEU A 8 -1.805 -0.640 -4.020 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.673 -1.288 -2.939 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.539 0.839 -3.730 1.00 0.00 C ATOM 0 H LEU A 8 -0.973 -2.135 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 8 0.708 -0.225 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.699 -2.471 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.186 -1.123 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.364 -0.690 -4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.599 -0.723 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.906 -2.314 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.134 -1.290 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.487 1.361 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.950 0.931 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.990 1.280 -4.562 1.00 0.00 H new ATOM 85 N ASP A 9 0.887 -3.432 -6.154 1.00 0.00 N ATOM 86 CA ASP A 9 1.819 -4.509 -6.444 1.00 0.00 C ATOM 87 C ASP A 9 2.851 -4.023 -7.463 1.00 0.00 C ATOM 88 O ASP A 9 3.948 -4.572 -7.551 1.00 0.00 O ATOM 89 CB ASP A 9 1.095 -5.716 -7.043 1.00 0.00 C ATOM 90 CG ASP A 9 0.123 -5.390 -8.178 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.807 -4.596 -7.918 1.00 0.00 O ATOM 92 OD2 ASP A 9 0.331 -5.942 -9.280 1.00 0.00 O ATOM 0 H ASP A 9 -0.097 -3.686 -6.235 1.00 0.00 H new ATOM 0 HA ASP A 9 2.298 -4.802 -5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.840 -6.420 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.546 -6.222 -6.249 1.00 0.00 H new ATOM 97 N HIS A 10 2.463 -2.998 -8.208 1.00 0.00 N ATOM 98 CA HIS A 10 3.342 -2.433 -9.218 1.00 0.00 C ATOM 99 C HIS A 10 4.089 -1.232 -8.634 1.00 0.00 C ATOM 100 O HIS A 10 5.192 -0.910 -9.072 1.00 0.00 O ATOM 101 CB HIS A 10 2.559 -2.085 -10.486 1.00 0.00 C ATOM 102 CG HIS A 10 1.901 -0.726 -10.448 1.00 0.00 C ATOM 103 ND1 HIS A 10 1.102 -0.309 -9.398 1.00 0.00 N ATOM 104 CD2 HIS A 10 1.933 0.305 -11.340 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.677 0.919 -9.657 1.00 0.00 C ATOM 106 NE2 HIS A 10 1.192 1.297 -10.862 1.00 0.00 N ATOM 0 H HIS A 10 1.553 -2.544 -8.132 1.00 0.00 H new ATOM 0 HA HIS A 10 4.087 -3.172 -9.512 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.234 -2.127 -11.341 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.793 -2.844 -10.648 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.470 0.313 -12.277 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.036 1.516 -9.025 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.034 2.194 -11.320 1.00 0.00 H new ATOM 114 N ILE A 11 3.457 -0.602 -7.654 1.00 0.00 N ATOM 115 CA ILE A 11 4.048 0.556 -7.005 1.00 0.00 C ATOM 116 C ILE A 11 5.456 0.202 -6.523 1.00 0.00 C ATOM 117 O ILE A 11 5.752 -0.963 -6.261 1.00 0.00 O ATOM 118 CB ILE A 11 3.130 1.075 -5.897 1.00 0.00 C ATOM 119 CG1 ILE A 11 1.900 1.770 -6.483 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.896 1.982 -4.931 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.119 2.512 -5.397 1.00 0.00 C ATOM 0 H ILE A 11 2.542 -0.872 -7.294 1.00 0.00 H new ATOM 0 HA ILE A 11 4.151 1.379 -7.713 1.00 0.00 H new ATOM 0 HB ILE A 11 2.772 0.221 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.209 2.472 -7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.255 1.033 -6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.221 2.338 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.712 1.421 -4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.302 2.834 -5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.250 2.997 -5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.790 1.803 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.760 3.265 -4.938 1.00 0.00 H new ATOM 133 N THR A 12 6.287 1.228 -6.420 1.00 0.00 N ATOM 134 CA THR A 12 7.657 1.040 -5.974 1.00 0.00 C ATOM 135 C THR A 12 7.894 1.777 -4.654 1.00 0.00 C ATOM 136 O THR A 12 7.376 2.874 -4.450 1.00 0.00 O ATOM 137 CB THR A 12 8.588 1.496 -7.100 1.00 0.00 C ATOM 138 OG1 THR A 12 7.936 1.056 -8.288 1.00 0.00 O ATOM 139 CG2 THR A 12 9.918 0.739 -7.102 1.00 0.00 C ATOM 0 H THR A 12 6.038 2.193 -6.638 1.00 0.00 H new ATOM 0 HA THR A 12 7.865 -0.010 -5.766 1.00 0.00 H new ATOM 0 HB THR A 12 8.779 2.565 -7.004 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.471 1.312 -9.068 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.541 1.101 -7.920 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.432 0.903 -6.155 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.730 -0.327 -7.233 1.00 0.00 H new ATOM 147 N VAL A 13 8.677 1.145 -3.793 1.00 0.00 N ATOM 148 CA VAL A 13 8.989 1.726 -2.499 1.00 0.00 C ATOM 149 C VAL A 13 10.477 2.080 -2.448 1.00 0.00 C ATOM 150 O VAL A 13 11.325 1.267 -2.814 1.00 0.00 O ATOM 151 CB VAL A 13 8.563 0.773 -1.380 1.00 0.00 C ATOM 152 CG1 VAL A 13 9.023 1.289 -0.015 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.050 0.547 -1.399 1.00 0.00 C ATOM 0 H VAL A 13 9.105 0.236 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 13 8.430 2.650 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 13 9.048 -0.187 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.707 0.593 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.110 1.375 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.580 2.267 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.774 -0.134 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.538 1.499 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.759 0.114 -2.356 1.00 0.00 H new ATOM 163 N VAL A 14 10.749 3.294 -1.992 1.00 0.00 N ATOM 164 CA VAL A 14 12.120 3.765 -1.889 1.00 0.00 C ATOM 165 C VAL A 14 12.764 3.177 -0.632 1.00 0.00 C ATOM 166 O VAL A 14 12.329 3.461 0.483 1.00 0.00 O ATOM 167 CB VAL A 14 12.151 5.294 -1.918 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.457 5.827 -1.326 1.00 0.00 C ATOM 169 CG2 VAL A 14 11.938 5.821 -3.338 1.00 0.00 C ATOM 0 H VAL A 14 10.043 3.966 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 14 12.706 3.425 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 14 11.330 5.657 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.453 6.917 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.550 5.495 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.300 5.450 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.965 6.911 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.727 5.444 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.970 5.485 -3.710 1.00 0.00 H new ATOM 179 N THR A 15 13.789 2.368 -0.854 1.00 0.00 N ATOM 180 CA THR A 15 14.497 1.738 0.247 1.00 0.00 C ATOM 181 C THR A 15 15.733 2.557 0.626 1.00 0.00 C ATOM 182 O THR A 15 15.952 3.641 0.087 1.00 0.00 O ATOM 183 CB THR A 15 14.823 0.300 -0.161 1.00 0.00 C ATOM 184 OG1 THR A 15 15.839 0.442 -1.151 1.00 0.00 O ATOM 185 CG2 THR A 15 13.669 -0.373 -0.906 1.00 0.00 C ATOM 0 H THR A 15 14.146 2.134 -1.780 1.00 0.00 H new ATOM 0 HA THR A 15 13.880 1.705 1.145 1.00 0.00 H new ATOM 0 HB THR A 15 15.070 -0.282 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.788 1.337 -1.546 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.953 -1.391 -1.173 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.788 -0.398 -0.265 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.443 0.190 -1.812 1.00 0.00 H new ATOM 193 N ALA A 16 16.507 2.008 1.550 1.00 0.00 N ATOM 194 CA ALA A 16 17.715 2.674 2.006 1.00 0.00 C ATOM 195 C ALA A 16 18.416 3.325 0.812 1.00 0.00 C ATOM 196 O ALA A 16 18.321 4.536 0.616 1.00 0.00 O ATOM 197 CB ALA A 16 18.611 1.667 2.731 1.00 0.00 C ATOM 0 H ALA A 16 16.321 1.109 1.995 1.00 0.00 H new ATOM 0 HA ALA A 16 17.472 3.465 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.517 2.167 3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.077 1.256 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.877 0.860 2.049 1.00 0.00 H new ATOM 203 N ASP A 17 19.104 2.493 0.045 1.00 0.00 N ATOM 204 CA ASP A 17 19.821 2.972 -1.124 1.00 0.00 C ATOM 205 C ASP A 17 19.443 2.116 -2.335 1.00 0.00 C ATOM 206 O ASP A 17 20.316 1.591 -3.025 1.00 0.00 O ATOM 207 CB ASP A 17 21.334 2.867 -0.925 1.00 0.00 C ATOM 208 CG ASP A 17 21.934 3.903 0.029 1.00 0.00 C ATOM 209 OD1 ASP A 17 21.528 3.888 1.211 1.00 0.00 O ATOM 210 OD2 ASP A 17 22.785 4.686 -0.445 1.00 0.00 O ATOM 0 H ASP A 17 19.180 1.489 0.210 1.00 0.00 H new ATOM 0 HA ASP A 17 19.550 4.016 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 17 21.568 1.871 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 17 21.821 2.964 -1.895 1.00 0.00 H new ATOM 215 N GLY A 18 18.142 2.002 -2.556 1.00 0.00 N ATOM 216 CA GLY A 18 17.639 1.218 -3.671 1.00 0.00 C ATOM 217 C GLY A 18 16.119 1.347 -3.790 1.00 0.00 C ATOM 218 O GLY A 18 15.479 1.981 -2.952 1.00 0.00 O ATOM 0 H GLY A 18 17.421 2.439 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 18 18.109 1.551 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.909 0.171 -3.535 1.00 0.00 H new ATOM 222 N LYS A 19 15.585 0.734 -4.836 1.00 0.00 N ATOM 223 CA LYS A 19 14.152 0.772 -5.075 1.00 0.00 C ATOM 224 C LYS A 19 13.639 -0.652 -5.299 1.00 0.00 C ATOM 225 O LYS A 19 14.375 -1.512 -5.780 1.00 0.00 O ATOM 226 CB LYS A 19 13.825 1.731 -6.221 1.00 0.00 C ATOM 227 CG LYS A 19 12.738 2.727 -5.810 1.00 0.00 C ATOM 228 CD LYS A 19 12.040 3.315 -7.038 1.00 0.00 C ATOM 229 CE LYS A 19 12.307 4.817 -7.154 1.00 0.00 C ATOM 230 NZ LYS A 19 13.353 5.081 -8.167 1.00 0.00 N ATOM 0 H LYS A 19 16.119 0.208 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 19 13.631 1.166 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.725 2.271 -6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.494 1.164 -7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.005 2.229 -5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.180 3.530 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.391 2.809 -7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.967 3.137 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.388 5.336 -7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.620 5.212 -6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.522 6.105 -8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.234 4.602 -7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.040 4.722 -9.091 1.00 0.00 H new ATOM 244 N VAL A 20 12.380 -0.856 -4.939 1.00 0.00 N ATOM 245 CA VAL A 20 11.760 -2.161 -5.095 1.00 0.00 C ATOM 246 C VAL A 20 10.240 -1.995 -5.154 1.00 0.00 C ATOM 247 O VAL A 20 9.714 -0.936 -4.814 1.00 0.00 O ATOM 248 CB VAL A 20 12.216 -3.095 -3.972 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.728 -3.325 -4.031 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.797 -2.553 -2.604 1.00 0.00 C ATOM 0 H VAL A 20 11.773 -0.140 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 20 12.073 -2.623 -6.031 1.00 0.00 H new ATOM 0 HB VAL A 20 11.724 -4.057 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.026 -3.992 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.990 -3.775 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.245 -2.372 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.133 -3.236 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.247 -1.573 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.711 -2.464 -2.565 1.00 0.00 H new ATOM 260 N ALA A 21 9.577 -3.057 -5.587 1.00 0.00 N ATOM 261 CA ALA A 21 8.128 -3.042 -5.695 1.00 0.00 C ATOM 262 C ALA A 21 7.516 -3.277 -4.313 1.00 0.00 C ATOM 263 O ALA A 21 8.144 -3.885 -3.447 1.00 0.00 O ATOM 264 CB ALA A 21 7.681 -4.090 -6.717 1.00 0.00 C ATOM 0 H ALA A 21 10.017 -3.934 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 21 7.779 -2.072 -6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.594 -4.079 -6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.120 -3.861 -7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.011 -5.077 -6.394 1.00 0.00 H new ATOM 270 N LEU A 22 6.297 -2.784 -4.149 1.00 0.00 N ATOM 271 CA LEU A 22 5.593 -2.933 -2.886 1.00 0.00 C ATOM 272 C LEU A 22 5.388 -4.421 -2.594 1.00 0.00 C ATOM 273 O LEU A 22 5.139 -4.804 -1.452 1.00 0.00 O ATOM 274 CB LEU A 22 4.295 -2.124 -2.899 1.00 0.00 C ATOM 275 CG LEU A 22 4.081 -1.180 -1.713 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.662 -0.610 -1.716 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.418 -1.875 -0.392 1.00 0.00 C ATOM 0 H LEU A 22 5.779 -2.281 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 22 6.187 -2.526 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.266 -1.536 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.457 -2.820 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 22 4.766 -0.338 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.536 0.057 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.495 -0.055 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.942 -1.426 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.258 -1.183 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.776 -2.747 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.461 -2.191 -0.403 1.00 0.00 H new ATOM 289 N ASN A 23 5.501 -5.219 -3.646 1.00 0.00 N ATOM 290 CA ASN A 23 5.331 -6.656 -3.517 1.00 0.00 C ATOM 291 C ASN A 23 6.701 -7.313 -3.342 1.00 0.00 C ATOM 292 O ASN A 23 6.924 -8.427 -3.814 1.00 0.00 O ATOM 293 CB ASN A 23 4.678 -7.248 -4.767 1.00 0.00 C ATOM 294 CG ASN A 23 5.475 -6.890 -6.023 1.00 0.00 C ATOM 295 OD1 ASN A 23 6.642 -6.539 -5.971 1.00 0.00 O ATOM 296 ND2 ASN A 23 4.781 -6.998 -7.153 1.00 0.00 N ATOM 0 H ASN A 23 5.708 -4.897 -4.591 1.00 0.00 H new ATOM 0 HA ASN A 23 4.692 -6.844 -2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.613 -8.332 -4.669 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.658 -6.875 -4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.224 -6.781 -8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.806 -7.298 -7.126 1.00 0.00 H new ATOM 303 N GLN A 24 7.584 -6.596 -2.663 1.00 0.00 N ATOM 304 CA GLN A 24 8.927 -7.096 -2.420 1.00 0.00 C ATOM 305 C GLN A 24 9.297 -6.928 -0.945 1.00 0.00 C ATOM 306 O GLN A 24 9.674 -7.893 -0.282 1.00 0.00 O ATOM 307 CB GLN A 24 9.944 -6.396 -3.324 1.00 0.00 C ATOM 308 CG GLN A 24 9.475 -6.396 -4.780 1.00 0.00 C ATOM 309 CD GLN A 24 9.408 -7.820 -5.336 1.00 0.00 C ATOM 310 OE1 GLN A 24 10.575 -8.458 -5.328 1.00 0.00 O flip ATOM 311 NE2 GLN A 24 8.367 -8.307 -5.744 1.00 0.00 N flip ATOM 0 H GLN A 24 7.396 -5.672 -2.273 1.00 0.00 H new ATOM 0 HA GLN A 24 8.947 -8.159 -2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.091 -5.370 -2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.909 -6.898 -3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.493 -5.929 -4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.156 -5.798 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.505 -7.761 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.358 -9.260 -6.108 1.00 0.00 H new ATOM 320 N ILE A 25 9.177 -5.695 -0.475 1.00 0.00 N ATOM 321 CA ILE A 25 9.495 -5.388 0.910 1.00 0.00 C ATOM 322 C ILE A 25 8.402 -5.956 1.817 1.00 0.00 C ATOM 323 O ILE A 25 8.616 -6.136 3.015 1.00 0.00 O ATOM 324 CB ILE A 25 9.722 -3.886 1.087 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.412 -3.111 0.927 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.807 -3.379 0.135 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.637 -1.609 1.119 1.00 0.00 C ATOM 0 H ILE A 25 8.864 -4.897 -1.028 1.00 0.00 H new ATOM 0 HA ILE A 25 10.431 -5.865 1.201 1.00 0.00 H new ATOM 0 HB ILE A 25 10.078 -3.712 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.994 -3.296 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.682 -3.469 1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.948 -2.308 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.742 -3.900 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.504 -3.567 -0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.691 -1.081 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.032 -1.425 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.349 -1.250 0.376 1.00 0.00 H new ATOM 339 N GLY A 26 7.254 -6.223 1.211 1.00 0.00 N ATOM 340 CA GLY A 26 6.127 -6.767 1.950 1.00 0.00 C ATOM 341 C GLY A 26 5.256 -7.648 1.051 1.00 0.00 C ATOM 342 O GLY A 26 5.380 -7.607 -0.172 1.00 0.00 O ATOM 0 H GLY A 26 7.080 -6.073 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.490 -7.351 2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.528 -5.953 2.358 1.00 0.00 H new ATOM 346 N GLN A 27 4.395 -8.424 1.693 1.00 0.00 N ATOM 347 CA GLN A 27 3.504 -9.313 0.967 1.00 0.00 C ATOM 348 C GLN A 27 2.090 -8.728 0.923 1.00 0.00 C ATOM 349 O GLN A 27 1.477 -8.500 1.965 1.00 0.00 O ATOM 350 CB GLN A 27 3.500 -10.711 1.587 1.00 0.00 C ATOM 351 CG GLN A 27 4.187 -11.721 0.665 1.00 0.00 C ATOM 352 CD GLN A 27 3.159 -12.606 -0.042 1.00 0.00 C ATOM 353 OE1 GLN A 27 1.989 -12.641 0.303 1.00 0.00 O ATOM 354 NE2 GLN A 27 3.659 -13.318 -1.048 1.00 0.00 N ATOM 0 H GLN A 27 4.296 -8.456 2.708 1.00 0.00 H new ATOM 0 HA GLN A 27 3.869 -9.406 -0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.010 -10.687 2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.474 -11.026 1.777 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.788 -11.193 -0.075 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.870 -12.342 1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.648 -13.242 -1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.053 -13.940 -1.583 1.00 0.00 H new ATOM 363 N ILE A 28 1.615 -8.503 -0.292 1.00 0.00 N ATOM 364 CA ILE A 28 0.285 -7.949 -0.485 1.00 0.00 C ATOM 365 C ILE A 28 -0.751 -9.069 -0.367 1.00 0.00 C ATOM 366 O ILE A 28 -0.646 -10.091 -1.044 1.00 0.00 O ATOM 367 CB ILE A 28 0.211 -7.180 -1.806 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.120 -5.950 -1.775 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.235 -6.816 -2.148 1.00 0.00 C ATOM 370 CD1 ILE A 28 1.836 -5.764 -3.115 1.00 0.00 C ATOM 0 H ILE A 28 2.127 -8.694 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 28 0.059 -7.221 0.294 1.00 0.00 H new ATOM 0 HB ILE A 28 0.576 -7.830 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.529 -5.062 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.855 -6.057 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.259 -6.270 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.827 -7.726 -2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.650 -6.192 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.476 -4.883 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.444 -6.643 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.098 -5.633 -3.907 1.00 0.00 H new ATOM 382 N SER A 29 -1.728 -8.839 0.498 1.00 0.00 N ATOM 383 CA SER A 29 -2.782 -9.816 0.714 1.00 0.00 C ATOM 384 C SER A 29 -4.092 -9.104 1.059 1.00 0.00 C ATOM 385 O SER A 29 -4.247 -8.581 2.161 1.00 0.00 O ATOM 386 CB SER A 29 -2.403 -10.798 1.824 1.00 0.00 C ATOM 387 OG SER A 29 -3.096 -12.037 1.700 1.00 0.00 O ATOM 0 H SER A 29 -1.812 -7.990 1.058 1.00 0.00 H new ATOM 0 HA SER A 29 -2.916 -10.384 -0.206 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.329 -10.979 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.626 -10.353 2.794 1.00 0.00 H new ATOM 0 HG SER A 29 -2.825 -12.637 2.426 1.00 0.00 H new ATOM 393 N MET A 30 -5.001 -9.108 0.095 1.00 0.00 N ATOM 394 CA MET A 30 -6.293 -8.470 0.283 1.00 0.00 C ATOM 395 C MET A 30 -7.064 -9.120 1.433 1.00 0.00 C ATOM 396 O MET A 30 -7.381 -10.307 1.379 1.00 0.00 O ATOM 397 CB MET A 30 -7.109 -8.580 -1.006 1.00 0.00 C ATOM 398 CG MET A 30 -7.354 -7.200 -1.620 1.00 0.00 C ATOM 399 SD MET A 30 -9.070 -7.033 -2.082 1.00 0.00 S ATOM 400 CE MET A 30 -9.273 -5.270 -1.889 1.00 0.00 C ATOM 0 H MET A 30 -4.869 -9.543 -0.818 1.00 0.00 H new ATOM 0 HA MET A 30 -6.127 -7.421 0.530 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.582 -9.212 -1.721 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.063 -9.063 -0.796 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.084 -6.422 -0.906 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.718 -7.064 -2.495 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.310 -4.999 -2.088 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.012 -4.983 -0.870 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.621 -4.750 -2.591 1.00 0.00 H new ATOM 410 N LYS A 31 -7.343 -8.314 2.447 1.00 0.00 N ATOM 411 CA LYS A 31 -8.071 -8.796 3.608 1.00 0.00 C ATOM 412 C LYS A 31 -9.562 -8.503 3.427 1.00 0.00 C ATOM 413 O LYS A 31 -10.356 -9.418 3.211 1.00 0.00 O ATOM 414 CB LYS A 31 -7.481 -8.210 4.892 1.00 0.00 C ATOM 415 CG LYS A 31 -8.282 -8.655 6.117 1.00 0.00 C ATOM 416 CD LYS A 31 -8.028 -10.130 6.433 1.00 0.00 C ATOM 417 CE LYS A 31 -7.225 -10.283 7.726 1.00 0.00 C ATOM 418 NZ LYS A 31 -8.076 -9.991 8.902 1.00 0.00 N ATOM 0 H LYS A 31 -7.078 -7.330 2.488 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.967 -9.877 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.443 -8.527 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.478 -7.122 4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.008 -8.043 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.345 -8.496 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.979 -10.654 6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.488 -10.595 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.830 -11.296 7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.370 -9.608 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.547 -10.197 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.349 -8.988 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.930 -10.583 8.868 1.00 0.00 H new ATOM 432 N SER A 32 -9.898 -7.225 3.524 1.00 0.00 N ATOM 433 CA SER A 32 -11.279 -6.801 3.374 1.00 0.00 C ATOM 434 C SER A 32 -11.626 -6.663 1.890 1.00 0.00 C ATOM 435 O SER A 32 -10.769 -6.851 1.028 1.00 0.00 O ATOM 436 CB SER A 32 -11.532 -5.480 4.103 1.00 0.00 C ATOM 437 OG SER A 32 -11.604 -4.378 3.202 1.00 0.00 O ATOM 0 H SER A 32 -9.237 -6.469 3.705 1.00 0.00 H new ATOM 0 HA SER A 32 -11.920 -7.560 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.463 -5.549 4.666 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.735 -5.306 4.825 1.00 0.00 H new ATOM 0 HG SER A 32 -12.275 -3.739 3.520 1.00 0.00 H new ATOM 443 N PRO A 33 -12.919 -6.328 1.631 1.00 0.00 N ATOM 444 CA PRO A 33 -13.390 -6.163 0.266 1.00 0.00 C ATOM 445 C PRO A 33 -12.892 -4.845 -0.330 1.00 0.00 C ATOM 446 O PRO A 33 -13.150 -4.550 -1.496 1.00 0.00 O ATOM 447 CB PRO A 33 -14.905 -6.238 0.361 1.00 0.00 C ATOM 448 CG PRO A 33 -15.244 -5.976 1.820 1.00 0.00 C ATOM 449 CD PRO A 33 -13.962 -6.098 2.626 1.00 0.00 C ATOM 0 HA PRO A 33 -13.008 -6.931 -0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.374 -5.499 -0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.268 -7.216 0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.676 -4.983 1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.987 -6.691 2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.768 -5.192 3.201 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.019 -6.921 3.338 1.00 0.00 H new ATOM 457 N GLN A 34 -12.187 -4.087 0.497 1.00 0.00 N ATOM 458 CA GLN A 34 -11.651 -2.807 0.066 1.00 0.00 C ATOM 459 C GLN A 34 -10.493 -2.385 0.972 1.00 0.00 C ATOM 460 O GLN A 34 -10.371 -1.212 1.323 1.00 0.00 O ATOM 461 CB GLN A 34 -12.744 -1.737 0.038 1.00 0.00 C ATOM 462 CG GLN A 34 -13.395 -1.654 -1.344 1.00 0.00 C ATOM 463 CD GLN A 34 -14.912 -1.832 -1.247 1.00 0.00 C ATOM 464 OE1 GLN A 34 -15.465 -2.104 -0.195 1.00 0.00 O ATOM 465 NE2 GLN A 34 -15.551 -1.663 -2.401 1.00 0.00 N ATOM 0 H GLN A 34 -11.975 -4.335 1.463 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.270 -2.917 -0.949 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.501 -1.966 0.788 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.317 -0.769 0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.167 -0.691 -1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.976 -2.422 -1.994 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.027 -1.436 -3.246 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.566 -1.760 -2.441 1.00 0.00 H new ATOM 474 N VAL A 35 -9.672 -3.363 1.325 1.00 0.00 N ATOM 475 CA VAL A 35 -8.528 -3.107 2.184 1.00 0.00 C ATOM 476 C VAL A 35 -7.394 -4.065 1.813 1.00 0.00 C ATOM 477 O VAL A 35 -7.529 -5.279 1.960 1.00 0.00 O ATOM 478 CB VAL A 35 -8.943 -3.211 3.653 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.717 -3.262 4.566 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.871 -2.059 4.043 1.00 0.00 C ATOM 0 H VAL A 35 -9.776 -4.334 1.032 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.158 -2.092 2.036 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.494 -4.143 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.040 -3.336 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.110 -4.131 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.126 -2.356 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.151 -2.157 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.356 -1.110 3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.768 -2.088 3.424 1.00 0.00 H new ATOM 490 N ILE A 36 -6.301 -3.483 1.341 1.00 0.00 N ATOM 491 CA ILE A 36 -5.145 -4.270 0.949 1.00 0.00 C ATOM 492 C ILE A 36 -4.139 -4.299 2.102 1.00 0.00 C ATOM 493 O ILE A 36 -3.715 -3.252 2.587 1.00 0.00 O ATOM 494 CB ILE A 36 -4.560 -3.744 -0.364 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.436 -4.144 -1.553 1.00 0.00 C ATOM 496 CG2 ILE A 36 -3.110 -4.202 -0.540 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.750 -2.933 -2.434 1.00 0.00 C ATOM 0 H ILE A 36 -6.192 -2.476 1.221 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.435 -5.302 0.752 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.551 -2.655 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.928 -4.906 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.365 -4.587 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.718 -3.815 -1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.507 -3.826 0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.071 -5.291 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.374 -3.245 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.280 -2.183 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.821 -2.507 -2.812 1.00 0.00 H new ATOM 509 N LEU A 37 -3.787 -5.511 2.506 1.00 0.00 N ATOM 510 CA LEU A 37 -2.839 -5.691 3.593 1.00 0.00 C ATOM 511 C LEU A 37 -1.456 -5.992 3.012 1.00 0.00 C ATOM 512 O LEU A 37 -1.335 -6.739 2.043 1.00 0.00 O ATOM 513 CB LEU A 37 -3.341 -6.755 4.571 1.00 0.00 C ATOM 514 CG LEU A 37 -4.091 -6.237 5.799 1.00 0.00 C ATOM 515 CD1 LEU A 37 -4.514 -7.391 6.711 1.00 0.00 C ATOM 516 CD2 LEU A 37 -3.263 -5.190 6.546 1.00 0.00 C ATOM 0 H LEU A 37 -4.141 -6.377 2.100 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.748 -4.774 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.997 -7.437 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.486 -7.339 4.912 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.002 -5.744 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.045 -6.995 7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.169 -8.068 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.630 -7.934 7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.819 -4.838 7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.323 -5.635 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.056 -4.350 5.883 1.00 0.00 H new ATOM 528 N VAL A 38 -0.447 -5.395 3.630 1.00 0.00 N ATOM 529 CA VAL A 38 0.923 -5.590 3.187 1.00 0.00 C ATOM 530 C VAL A 38 1.801 -5.929 4.393 1.00 0.00 C ATOM 531 O VAL A 38 2.185 -5.043 5.155 1.00 0.00 O ATOM 532 CB VAL A 38 1.407 -4.356 2.424 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.891 -4.475 2.072 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.563 -4.121 1.169 1.00 0.00 C ATOM 0 H VAL A 38 -0.551 -4.776 4.434 1.00 0.00 H new ATOM 0 HA VAL A 38 0.984 -6.429 2.494 1.00 0.00 H new ATOM 0 HB VAL A 38 1.286 -3.491 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.209 -3.584 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.475 -4.571 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.047 -5.355 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.928 -3.238 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.637 -4.988 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.478 -3.969 1.454 1.00 0.00 H new ATOM 544 N ASN A 39 2.093 -7.214 4.530 1.00 0.00 N ATOM 545 CA ASN A 39 2.919 -7.681 5.630 1.00 0.00 C ATOM 546 C ASN A 39 4.375 -7.289 5.372 1.00 0.00 C ATOM 547 O ASN A 39 4.925 -7.590 4.314 1.00 0.00 O ATOM 548 CB ASN A 39 2.855 -9.205 5.759 1.00 0.00 C ATOM 549 CG ASN A 39 3.499 -9.672 7.066 1.00 0.00 C ATOM 550 OD1 ASN A 39 3.954 -8.885 7.880 1.00 0.00 O ATOM 551 ND2 ASN A 39 3.512 -10.993 7.220 1.00 0.00 N ATOM 0 H ASN A 39 1.772 -7.947 3.897 1.00 0.00 H new ATOM 0 HA ASN A 39 2.547 -7.225 6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.816 -9.533 5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.364 -9.667 4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.920 -11.405 8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.114 -11.594 6.499 1.00 0.00 H new ATOM 558 N MET A 40 4.958 -6.622 6.357 1.00 0.00 N ATOM 559 CA MET A 40 6.340 -6.185 6.250 1.00 0.00 C ATOM 560 C MET A 40 7.224 -6.907 7.269 1.00 0.00 C ATOM 561 O MET A 40 8.204 -6.345 7.755 1.00 0.00 O ATOM 562 CB MET A 40 6.418 -4.675 6.485 1.00 0.00 C ATOM 563 CG MET A 40 5.551 -3.918 5.477 1.00 0.00 C ATOM 564 SD MET A 40 6.414 -3.768 3.922 1.00 0.00 S ATOM 565 CE MET A 40 7.788 -2.747 4.426 1.00 0.00 C ATOM 0 H MET A 40 4.499 -6.373 7.233 1.00 0.00 H new ATOM 0 HA MET A 40 6.701 -6.425 5.250 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.090 -4.444 7.498 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.453 -4.343 6.401 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.607 -4.443 5.330 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.308 -2.929 5.864 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.719 -1.776 3.936 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.763 -2.611 5.507 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.723 -3.230 4.143 1.00 0.00 H new ATOM 575 N ALA A 41 6.845 -8.142 7.563 1.00 0.00 N ATOM 576 CA ALA A 41 7.592 -8.947 8.515 1.00 0.00 C ATOM 577 C ALA A 41 9.008 -9.175 7.985 1.00 0.00 C ATOM 578 O ALA A 41 9.907 -9.542 8.740 1.00 0.00 O ATOM 579 CB ALA A 41 6.846 -10.259 8.770 1.00 0.00 C ATOM 0 H ALA A 41 6.031 -8.605 7.159 1.00 0.00 H new ATOM 0 HA ALA A 41 7.678 -8.429 9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.406 -10.863 9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.857 -10.043 9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.743 -10.807 7.833 1.00 0.00 H new ATOM 585 N SER A 42 9.164 -8.947 6.689 1.00 0.00 N ATOM 586 CA SER A 42 10.456 -9.123 6.048 1.00 0.00 C ATOM 587 C SER A 42 11.191 -7.783 5.976 1.00 0.00 C ATOM 588 O SER A 42 12.396 -7.745 5.730 1.00 0.00 O ATOM 589 CB SER A 42 10.300 -9.719 4.647 1.00 0.00 C ATOM 590 OG SER A 42 10.422 -11.139 4.655 1.00 0.00 O ATOM 0 H SER A 42 8.417 -8.642 6.065 1.00 0.00 H new ATOM 0 HA SER A 42 11.042 -9.820 6.646 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.328 -9.441 4.241 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.055 -9.294 3.986 1.00 0.00 H new ATOM 0 HG SER A 42 10.315 -11.482 3.743 1.00 0.00 H new ATOM 596 N PHE A 43 10.435 -6.717 6.194 1.00 0.00 N ATOM 597 CA PHE A 43 11.000 -5.379 6.156 1.00 0.00 C ATOM 598 C PHE A 43 10.213 -4.427 7.060 1.00 0.00 C ATOM 599 O PHE A 43 9.537 -3.522 6.575 1.00 0.00 O ATOM 600 CB PHE A 43 10.898 -4.891 4.710 1.00 0.00 C ATOM 601 CG PHE A 43 11.772 -5.672 3.727 1.00 0.00 C ATOM 602 CD1 PHE A 43 11.356 -6.878 3.257 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.965 -5.159 3.322 1.00 0.00 C ATOM 604 CE1 PHE A 43 12.167 -7.603 2.344 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.776 -5.884 2.410 1.00 0.00 C ATOM 606 CZ PHE A 43 13.360 -7.091 1.940 1.00 0.00 C ATOM 0 H PHE A 43 9.436 -6.753 6.398 1.00 0.00 H new ATOM 0 HA PHE A 43 12.032 -5.400 6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.859 -4.956 4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.178 -3.838 4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.408 -7.285 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.295 -4.200 3.694 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.836 -8.561 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.724 -5.477 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.977 -7.642 1.246 1.00 0.00 H new ATOM 616 N PRO A 44 10.332 -4.671 8.393 1.00 0.00 N ATOM 617 CA PRO A 44 9.640 -3.846 9.369 1.00 0.00 C ATOM 618 C PRO A 44 10.326 -2.486 9.521 1.00 0.00 C ATOM 619 O PRO A 44 9.794 -1.589 10.173 1.00 0.00 O ATOM 620 CB PRO A 44 9.649 -4.662 10.651 1.00 0.00 C ATOM 621 CG PRO A 44 10.742 -5.704 10.475 1.00 0.00 C ATOM 622 CD PRO A 44 11.124 -5.734 9.004 1.00 0.00 C ATOM 0 HA PRO A 44 8.619 -3.609 9.071 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.849 -4.029 11.515 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.682 -5.135 10.819 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.608 -5.457 11.089 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.391 -6.684 10.798 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.191 -5.560 8.869 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.900 -6.702 8.556 1.00 0.00 H new ATOM 630 N GLU A 45 11.496 -2.377 8.910 1.00 0.00 N ATOM 631 CA GLU A 45 12.260 -1.143 8.970 1.00 0.00 C ATOM 632 C GLU A 45 11.977 -0.284 7.736 1.00 0.00 C ATOM 633 O GLU A 45 12.350 0.888 7.691 1.00 0.00 O ATOM 634 CB GLU A 45 13.756 -1.430 9.107 1.00 0.00 C ATOM 635 CG GLU A 45 14.329 -1.988 7.803 1.00 0.00 C ATOM 636 CD GLU A 45 15.002 -3.342 8.035 1.00 0.00 C ATOM 637 OE1 GLU A 45 14.376 -4.176 8.724 1.00 0.00 O ATOM 638 OE2 GLU A 45 16.127 -3.513 7.518 1.00 0.00 O ATOM 0 H GLU A 45 11.934 -3.124 8.370 1.00 0.00 H new ATOM 0 HA GLU A 45 11.948 -0.588 9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.282 -0.515 9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.921 -2.143 9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.531 -2.096 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.052 -1.285 7.389 1.00 0.00 H new ATOM 645 N CYS A 46 11.320 -0.899 6.763 1.00 0.00 N ATOM 646 CA CYS A 46 10.983 -0.205 5.532 1.00 0.00 C ATOM 647 C CYS A 46 9.460 -0.071 5.458 1.00 0.00 C ATOM 648 O CYS A 46 8.904 0.136 4.380 1.00 0.00 O ATOM 649 CB CYS A 46 11.553 -0.920 4.306 1.00 0.00 C ATOM 650 SG CYS A 46 13.050 -0.050 3.713 1.00 0.00 S ATOM 0 H CYS A 46 11.012 -1.871 6.803 1.00 0.00 H new ATOM 0 HA CYS A 46 11.435 0.787 5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.798 -1.952 4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.805 -0.954 3.514 1.00 0.00 H new ATOM 0 HG CYS A 46 13.527 -0.667 2.673 1.00 0.00 H new ATOM 656 N THR A 47 8.830 -0.194 6.617 1.00 0.00 N ATOM 657 CA THR A 47 7.383 -0.088 6.696 1.00 0.00 C ATOM 658 C THR A 47 6.920 1.285 6.205 1.00 0.00 C ATOM 659 O THR A 47 6.108 1.378 5.287 1.00 0.00 O ATOM 660 CB THR A 47 6.966 -0.391 8.137 1.00 0.00 C ATOM 661 OG1 THR A 47 7.308 -1.763 8.316 1.00 0.00 O ATOM 662 CG2 THR A 47 5.448 -0.358 8.326 1.00 0.00 C ATOM 0 H THR A 47 9.295 -0.366 7.509 1.00 0.00 H new ATOM 0 HA THR A 47 6.897 -0.812 6.042 1.00 0.00 H new ATOM 0 HB THR A 47 7.431 0.330 8.809 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.073 -2.043 9.225 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.206 -0.580 9.365 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.071 0.632 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.985 -1.103 7.679 1.00 0.00 H new ATOM 670 N ALA A 48 7.458 2.316 6.840 1.00 0.00 N ATOM 671 CA ALA A 48 7.111 3.680 6.479 1.00 0.00 C ATOM 672 C ALA A 48 7.330 3.878 4.978 1.00 0.00 C ATOM 673 O ALA A 48 6.449 4.377 4.279 1.00 0.00 O ATOM 674 CB ALA A 48 7.934 4.657 7.322 1.00 0.00 C ATOM 0 H ALA A 48 8.131 2.234 7.602 1.00 0.00 H new ATOM 0 HA ALA A 48 6.059 3.876 6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.674 5.680 7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.720 4.496 8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.996 4.492 7.138 1.00 0.00 H new ATOM 680 N ALA A 49 8.509 3.477 4.527 1.00 0.00 N ATOM 681 CA ALA A 49 8.855 3.604 3.121 1.00 0.00 C ATOM 682 C ALA A 49 7.634 3.261 2.267 1.00 0.00 C ATOM 683 O ALA A 49 7.181 4.080 1.468 1.00 0.00 O ATOM 684 CB ALA A 49 10.056 2.708 2.808 1.00 0.00 C ATOM 0 H ALA A 49 9.237 3.064 5.110 1.00 0.00 H new ATOM 0 HA ALA A 49 9.143 4.629 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.316 2.803 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.906 3.011 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.803 1.671 3.027 1.00 0.00 H new ATOM 690 N ALA A 50 7.134 2.050 2.464 1.00 0.00 N ATOM 691 CA ALA A 50 5.973 1.589 1.721 1.00 0.00 C ATOM 692 C ALA A 50 4.877 2.655 1.784 1.00 0.00 C ATOM 693 O ALA A 50 4.483 3.207 0.758 1.00 0.00 O ATOM 694 CB ALA A 50 5.510 0.243 2.281 1.00 0.00 C ATOM 0 H ALA A 50 7.512 1.374 3.128 1.00 0.00 H new ATOM 0 HA ALA A 50 6.225 1.436 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.639 -0.103 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.314 -0.486 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.246 0.358 3.332 1.00 0.00 H new ATOM 700 N ILE A 51 4.415 2.912 2.999 1.00 0.00 N ATOM 701 CA ILE A 51 3.372 3.901 3.209 1.00 0.00 C ATOM 702 C ILE A 51 3.647 5.121 2.328 1.00 0.00 C ATOM 703 O ILE A 51 2.747 5.619 1.652 1.00 0.00 O ATOM 704 CB ILE A 51 3.241 4.234 4.697 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.445 3.154 5.433 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.639 5.626 4.896 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.133 2.762 6.741 1.00 0.00 C ATOM 0 H ILE A 51 4.744 2.452 3.848 1.00 0.00 H new ATOM 0 HA ILE A 51 2.403 3.502 2.909 1.00 0.00 H new ATOM 0 HB ILE A 51 4.240 4.250 5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.439 3.518 5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.341 2.276 4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.557 5.838 5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.282 6.371 4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.649 5.663 4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.547 1.993 7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.130 2.376 6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.214 3.637 7.386 1.00 0.00 H new ATOM 719 N LYS A 52 4.894 5.567 2.363 1.00 0.00 N ATOM 720 CA LYS A 52 5.299 6.720 1.576 1.00 0.00 C ATOM 721 C LYS A 52 4.906 6.496 0.114 1.00 0.00 C ATOM 722 O LYS A 52 4.028 7.181 -0.408 1.00 0.00 O ATOM 723 CB LYS A 52 6.788 7.008 1.775 1.00 0.00 C ATOM 724 CG LYS A 52 6.996 8.343 2.494 1.00 0.00 C ATOM 725 CD LYS A 52 8.110 8.235 3.538 1.00 0.00 C ATOM 726 CE LYS A 52 9.390 8.912 3.045 1.00 0.00 C ATOM 727 NZ LYS A 52 10.053 9.636 4.152 1.00 0.00 N ATOM 0 H LYS A 52 5.637 5.151 2.924 1.00 0.00 H new ATOM 0 HA LYS A 52 4.777 7.615 1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.244 6.204 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.291 7.029 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.247 9.116 1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.068 8.649 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.786 8.697 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.310 7.186 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.068 8.165 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.154 9.606 2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.920 10.090 3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.410 10.362 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.296 8.966 4.909 1.00 0.00 H new ATOM 741 N ALA A 53 5.577 5.536 -0.506 1.00 0.00 N ATOM 742 CA ALA A 53 5.309 5.214 -1.897 1.00 0.00 C ATOM 743 C ALA A 53 3.833 5.478 -2.202 1.00 0.00 C ATOM 744 O ALA A 53 3.510 6.287 -3.070 1.00 0.00 O ATOM 745 CB ALA A 53 5.711 3.764 -2.172 1.00 0.00 C ATOM 0 H ALA A 53 6.306 4.971 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 53 5.900 5.847 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.510 3.522 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.774 3.636 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.136 3.099 -1.528 1.00 0.00 H new ATOM 751 N ILE A 54 2.977 4.779 -1.471 1.00 0.00 N ATOM 752 CA ILE A 54 1.543 4.928 -1.652 1.00 0.00 C ATOM 753 C ILE A 54 1.199 6.414 -1.769 1.00 0.00 C ATOM 754 O ILE A 54 0.636 6.847 -2.773 1.00 0.00 O ATOM 755 CB ILE A 54 0.784 4.207 -0.536 1.00 0.00 C ATOM 756 CG1 ILE A 54 0.949 2.690 -0.651 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.688 4.623 -0.516 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.767 2.137 0.518 1.00 0.00 C ATOM 0 H ILE A 54 3.249 4.108 -0.752 1.00 0.00 H new ATOM 0 HA ILE A 54 1.225 4.453 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 54 1.216 4.506 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.032 2.214 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.441 2.444 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.204 4.096 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.760 5.698 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.150 4.372 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.869 1.057 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.755 2.597 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.260 2.363 1.456 1.00 0.00 H new ATOM 770 N ARG A 55 1.552 7.154 -0.729 1.00 0.00 N ATOM 771 CA ARG A 55 1.288 8.583 -0.702 1.00 0.00 C ATOM 772 C ARG A 55 2.013 9.278 -1.856 1.00 0.00 C ATOM 773 O ARG A 55 1.503 10.244 -2.422 1.00 0.00 O ATOM 774 CB ARG A 55 1.739 9.202 0.622 1.00 0.00 C ATOM 775 CG ARG A 55 0.729 8.915 1.734 1.00 0.00 C ATOM 776 CD ARG A 55 1.343 8.024 2.816 1.00 0.00 C ATOM 777 NE ARG A 55 0.788 8.381 4.141 1.00 0.00 N ATOM 778 CZ ARG A 55 1.071 9.516 4.793 1.00 0.00 C ATOM 779 NH1 ARG A 55 1.904 10.413 4.247 1.00 0.00 N ATOM 780 NH2 ARG A 55 0.520 9.756 5.991 1.00 0.00 N ATOM 0 H ARG A 55 2.019 6.791 0.102 1.00 0.00 H new ATOM 0 HA ARG A 55 0.212 8.724 -0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.715 8.803 0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.857 10.279 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.394 9.853 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.151 8.429 1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.137 6.976 2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.427 8.141 2.823 1.00 0.00 H new ATOM 0 HE ARG A 55 0.150 7.721 4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.322 10.231 3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.119 11.277 4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.115 9.074 6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.736 10.620 6.488 1.00 0.00 H new ATOM 794 N GLU A 56 3.191 8.760 -2.170 1.00 0.00 N ATOM 795 CA GLU A 56 3.992 9.319 -3.247 1.00 0.00 C ATOM 796 C GLU A 56 3.664 8.622 -4.569 1.00 0.00 C ATOM 797 O GLU A 56 4.483 8.607 -5.486 1.00 0.00 O ATOM 798 CB GLU A 56 5.485 9.218 -2.929 1.00 0.00 C ATOM 799 CG GLU A 56 5.858 10.122 -1.753 1.00 0.00 C ATOM 800 CD GLU A 56 7.166 10.866 -2.027 1.00 0.00 C ATOM 801 OE1 GLU A 56 7.186 11.637 -3.011 1.00 0.00 O ATOM 802 OE2 GLU A 56 8.117 10.649 -1.245 1.00 0.00 O ATOM 0 H GLU A 56 3.611 7.959 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 56 3.746 10.376 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.741 8.185 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.067 9.499 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.058 10.840 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.959 9.524 -0.847 1.00 0.00 H new ATOM 809 N SER A 57 2.464 8.063 -4.625 1.00 0.00 N ATOM 810 CA SER A 57 2.018 7.366 -5.819 1.00 0.00 C ATOM 811 C SER A 57 0.829 8.102 -6.441 1.00 0.00 C ATOM 812 O SER A 57 -0.181 7.485 -6.775 1.00 0.00 O ATOM 813 CB SER A 57 1.640 5.918 -5.504 1.00 0.00 C ATOM 814 OG SER A 57 2.759 5.161 -5.049 1.00 0.00 O ATOM 0 H SER A 57 1.787 8.079 -3.862 1.00 0.00 H new ATOM 0 HA SER A 57 2.842 7.350 -6.533 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.860 5.904 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.224 5.450 -6.396 1.00 0.00 H new ATOM 0 HG SER A 57 3.403 5.758 -4.615 1.00 0.00 H new ATOM 820 N GLY A 58 0.989 9.410 -6.576 1.00 0.00 N ATOM 821 CA GLY A 58 -0.059 10.236 -7.152 1.00 0.00 C ATOM 822 C GLY A 58 -1.442 9.755 -6.707 1.00 0.00 C ATOM 823 O GLY A 58 -2.415 9.880 -7.450 1.00 0.00 O ATOM 0 H GLY A 58 1.828 9.918 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.084 11.274 -6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.007 10.208 -8.240 1.00 0.00 H new ATOM 827 N MET A 59 -1.485 9.216 -5.498 1.00 0.00 N ATOM 828 CA MET A 59 -2.733 8.716 -4.946 1.00 0.00 C ATOM 829 C MET A 59 -2.993 9.304 -3.557 1.00 0.00 C ATOM 830 O MET A 59 -2.351 8.914 -2.583 1.00 0.00 O ATOM 831 CB MET A 59 -2.675 7.190 -4.851 1.00 0.00 C ATOM 832 CG MET A 59 -3.040 6.544 -6.189 1.00 0.00 C ATOM 833 SD MET A 59 -3.465 4.828 -5.942 1.00 0.00 S ATOM 834 CE MET A 59 -1.838 4.139 -5.687 1.00 0.00 C ATOM 0 H MET A 59 -0.676 9.114 -4.885 1.00 0.00 H new ATOM 0 HA MET A 59 -3.546 9.017 -5.606 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.674 6.878 -4.554 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.360 6.844 -4.077 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.879 7.074 -6.641 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.202 6.624 -6.881 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.913 3.056 -5.587 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.202 4.382 -6.539 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.404 4.558 -4.779 1.00 0.00 H new ATOM 844 N ASN A 60 -3.935 10.234 -3.510 1.00 0.00 N ATOM 845 CA ASN A 60 -4.288 10.880 -2.257 1.00 0.00 C ATOM 846 C ASN A 60 -5.009 9.876 -1.356 1.00 0.00 C ATOM 847 O ASN A 60 -6.163 10.086 -0.986 1.00 0.00 O ATOM 848 CB ASN A 60 -5.228 12.064 -2.493 1.00 0.00 C ATOM 849 CG ASN A 60 -5.414 12.880 -1.212 1.00 0.00 C ATOM 850 OD1 ASN A 60 -4.682 12.742 -0.246 1.00 0.00 O ATOM 851 ND2 ASN A 60 -6.431 13.735 -1.259 1.00 0.00 N ATOM 0 H ASN A 60 -4.465 10.556 -4.320 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.369 11.237 -1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.825 12.702 -3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.195 11.701 -2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.638 14.326 -0.454 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.004 13.800 -2.100 1.00 0.00 H new ATOM 858 N LEU A 61 -4.300 8.806 -1.029 1.00 0.00 N ATOM 859 CA LEU A 61 -4.858 7.769 -0.179 1.00 0.00 C ATOM 860 C LEU A 61 -4.220 7.855 1.209 1.00 0.00 C ATOM 861 O LEU A 61 -3.157 8.452 1.372 1.00 0.00 O ATOM 862 CB LEU A 61 -4.710 6.397 -0.839 1.00 0.00 C ATOM 863 CG LEU A 61 -5.480 6.195 -2.146 1.00 0.00 C ATOM 864 CD1 LEU A 61 -4.886 5.043 -2.960 1.00 0.00 C ATOM 865 CD2 LEU A 61 -6.973 5.997 -1.878 1.00 0.00 C ATOM 0 H LEU A 61 -3.343 8.635 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.930 7.920 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.652 6.221 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.034 5.637 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.378 7.099 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.452 4.921 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.846 5.264 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.937 4.122 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.497 5.856 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.116 5.118 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.371 6.876 -1.370 1.00 0.00 H new ATOM 877 N ASN A 62 -4.896 7.250 2.175 1.00 0.00 N ATOM 878 CA ASN A 62 -4.409 7.251 3.543 1.00 0.00 C ATOM 879 C ASN A 62 -4.119 5.813 3.978 1.00 0.00 C ATOM 880 O ASN A 62 -5.001 5.125 4.489 1.00 0.00 O ATOM 881 CB ASN A 62 -5.452 7.832 4.499 1.00 0.00 C ATOM 882 CG ASN A 62 -4.811 8.245 5.826 1.00 0.00 C ATOM 883 OD1 ASN A 62 -3.616 8.475 5.922 1.00 0.00 O ATOM 884 ND2 ASN A 62 -5.668 8.326 6.839 1.00 0.00 N ATOM 0 H ASN A 62 -5.777 6.756 2.037 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.507 7.862 3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.931 8.696 4.038 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.233 7.094 4.683 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.338 8.594 7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.656 8.120 6.689 1.00 0.00 H new ATOM 891 N PRO A 63 -2.846 5.390 3.754 1.00 0.00 N ATOM 892 CA PRO A 63 -2.428 4.046 4.116 1.00 0.00 C ATOM 893 C PRO A 63 -2.240 3.920 5.629 1.00 0.00 C ATOM 894 O PRO A 63 -1.829 4.874 6.289 1.00 0.00 O ATOM 895 CB PRO A 63 -1.145 3.809 3.336 1.00 0.00 C ATOM 896 CG PRO A 63 -0.643 5.185 2.931 1.00 0.00 C ATOM 897 CD PRO A 63 -1.774 6.177 3.151 1.00 0.00 C ATOM 0 HA PRO A 63 -3.174 3.292 3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.407 3.288 3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.330 3.187 2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.229 5.463 3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.332 5.186 1.886 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.464 6.992 3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.094 6.627 2.211 1.00 0.00 H new ATOM 905 N GLU A 64 -2.550 2.736 6.135 1.00 0.00 N ATOM 906 CA GLU A 64 -2.421 2.473 7.559 1.00 0.00 C ATOM 907 C GLU A 64 -1.173 1.630 7.831 1.00 0.00 C ATOM 908 O GLU A 64 -0.501 1.190 6.899 1.00 0.00 O ATOM 909 CB GLU A 64 -3.675 1.789 8.106 1.00 0.00 C ATOM 910 CG GLU A 64 -4.326 2.634 9.203 1.00 0.00 C ATOM 911 CD GLU A 64 -5.849 2.495 9.171 1.00 0.00 C ATOM 912 OE1 GLU A 64 -6.433 2.877 8.134 1.00 0.00 O ATOM 913 OE2 GLU A 64 -6.396 2.008 10.184 1.00 0.00 O ATOM 0 H GLU A 64 -2.890 1.947 5.585 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.312 3.426 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.387 1.626 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.414 0.808 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.949 2.324 10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.050 3.680 9.073 1.00 0.00 H new ATOM 920 N VAL A 65 -0.902 1.429 9.112 1.00 0.00 N ATOM 921 CA VAL A 65 0.253 0.646 9.519 1.00 0.00 C ATOM 922 C VAL A 65 -0.002 0.052 10.906 1.00 0.00 C ATOM 923 O VAL A 65 -0.194 0.787 11.874 1.00 0.00 O ATOM 924 CB VAL A 65 1.516 1.508 9.460 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.522 2.548 10.582 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.775 0.640 9.510 1.00 0.00 C ATOM 0 H VAL A 65 -1.462 1.795 9.882 1.00 0.00 H new ATOM 0 HA VAL A 65 0.411 -0.186 8.833 1.00 0.00 H new ATOM 0 HB VAL A 65 1.514 2.041 8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.430 3.147 10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.651 3.196 10.482 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.489 2.042 11.547 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.658 1.277 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.786 0.068 10.438 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.779 -0.044 8.661 1.00 0.00 H new ATOM 936 N GLU A 66 0.005 -1.271 10.958 1.00 0.00 N ATOM 937 CA GLU A 66 -0.223 -1.972 12.210 1.00 0.00 C ATOM 938 C GLU A 66 0.904 -2.973 12.471 1.00 0.00 C ATOM 939 O GLU A 66 0.956 -4.031 11.846 1.00 0.00 O ATOM 940 CB GLU A 66 -1.586 -2.669 12.208 1.00 0.00 C ATOM 941 CG GLU A 66 -2.703 -1.688 12.567 1.00 0.00 C ATOM 942 CD GLU A 66 -3.958 -1.958 11.735 1.00 0.00 C ATOM 943 OE1 GLU A 66 -4.497 -3.079 11.867 1.00 0.00 O ATOM 944 OE2 GLU A 66 -4.351 -1.038 10.985 1.00 0.00 O ATOM 0 H GLU A 66 0.165 -1.877 10.153 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.227 -1.240 13.018 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.777 -3.099 11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.578 -3.494 12.921 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.940 -1.773 13.627 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.363 -0.666 12.398 1.00 0.00 H new ATOM 951 N GLY A 67 1.779 -2.603 13.395 1.00 0.00 N ATOM 952 CA GLY A 67 2.902 -3.456 13.746 1.00 0.00 C ATOM 953 C GLY A 67 3.815 -3.684 12.540 1.00 0.00 C ATOM 954 O GLY A 67 4.844 -3.024 12.401 1.00 0.00 O ATOM 0 H GLY A 67 1.733 -1.724 13.911 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.471 -3.000 14.556 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.535 -4.414 14.115 1.00 0.00 H new ATOM 958 N THR A 68 3.406 -4.621 11.697 1.00 0.00 N ATOM 959 CA THR A 68 4.174 -4.945 10.507 1.00 0.00 C ATOM 960 C THR A 68 3.239 -5.276 9.343 1.00 0.00 C ATOM 961 O THR A 68 3.665 -5.855 8.345 1.00 0.00 O ATOM 962 CB THR A 68 5.133 -6.084 10.859 1.00 0.00 C ATOM 963 OG1 THR A 68 4.400 -6.882 11.784 1.00 0.00 O ATOM 964 CG2 THR A 68 6.344 -5.603 11.661 1.00 0.00 C ATOM 0 H THR A 68 2.552 -5.166 11.815 1.00 0.00 H new ATOM 0 HA THR A 68 4.767 -4.093 10.174 1.00 0.00 H new ATOM 0 HB THR A 68 5.473 -6.568 9.943 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.948 -7.645 12.063 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.992 -6.450 11.885 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.897 -4.867 11.078 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.006 -5.149 12.593 1.00 0.00 H new ATOM 972 N LEU A 69 1.981 -4.895 9.509 1.00 0.00 N ATOM 973 CA LEU A 69 0.982 -5.144 8.483 1.00 0.00 C ATOM 974 C LEU A 69 0.355 -3.816 8.055 1.00 0.00 C ATOM 975 O LEU A 69 -0.466 -3.252 8.776 1.00 0.00 O ATOM 976 CB LEU A 69 -0.038 -6.177 8.969 1.00 0.00 C ATOM 977 CG LEU A 69 -0.023 -7.525 8.245 1.00 0.00 C ATOM 978 CD1 LEU A 69 0.864 -8.532 8.980 1.00 0.00 C ATOM 979 CD2 LEU A 69 -1.444 -8.054 8.041 1.00 0.00 C ATOM 0 H LEU A 69 1.630 -4.416 10.338 1.00 0.00 H new ATOM 0 HA LEU A 69 1.445 -5.578 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.132 -6.355 10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.035 -5.747 8.874 1.00 0.00 H new ATOM 0 HG LEU A 69 0.410 -7.377 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.857 -9.482 8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.884 -8.151 9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.484 -8.682 9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.405 -9.013 7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.927 -8.183 9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.015 -7.343 7.443 1.00 0.00 H new ATOM 991 N ILE A 70 0.766 -3.355 6.882 1.00 0.00 N ATOM 992 CA ILE A 70 0.255 -2.104 6.349 1.00 0.00 C ATOM 993 C ILE A 70 -1.145 -2.333 5.777 1.00 0.00 C ATOM 994 O ILE A 70 -1.410 -3.368 5.167 1.00 0.00 O ATOM 995 CB ILE A 70 1.241 -1.509 5.341 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.507 -1.011 6.042 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.577 -0.411 4.508 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.519 -0.474 5.028 1.00 0.00 C ATOM 0 H ILE A 70 1.447 -3.826 6.286 1.00 0.00 H new ATOM 0 HA ILE A 70 0.159 -1.363 7.142 1.00 0.00 H new ATOM 0 HB ILE A 70 1.543 -2.297 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.249 -0.227 6.754 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.955 -1.824 6.613 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.299 -0.005 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.270 -0.829 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.228 0.384 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.409 -0.126 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.793 -1.267 4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.076 0.355 4.476 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.006 -1.349 5.995 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.373 -1.430 5.509 1.00 0.00 C ATOM 1012 C ARG A 71 -3.639 -0.325 4.485 1.00 0.00 C ATOM 1013 O ARG A 71 -3.289 0.832 4.711 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.375 -1.302 6.659 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.595 -2.195 6.424 1.00 0.00 C ATOM 1016 CD ARG A 71 -6.365 -2.425 7.727 1.00 0.00 C ATOM 1017 NE ARG A 71 -7.724 -1.850 7.620 1.00 0.00 N ATOM 1018 CZ ARG A 71 -8.713 -2.094 8.491 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -8.500 -2.902 9.538 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -9.915 -1.529 8.315 1.00 0.00 N ATOM 0 H ARG A 71 -1.783 -0.492 6.501 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.500 -2.405 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.894 -1.577 7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.693 -0.264 6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.251 -1.734 5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.276 -3.152 6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.428 -3.493 7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.832 -1.967 8.560 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.920 -1.229 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.585 -3.332 9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.253 -3.087 10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.077 -0.913 7.518 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.668 -1.715 8.978 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.256 -0.721 3.381 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.572 0.222 2.322 1.00 0.00 C ATOM 1036 C VAL A 72 -6.057 0.109 1.972 1.00 0.00 C ATOM 1037 O VAL A 72 -6.455 -0.770 1.210 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.655 -0.015 1.120 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.407 0.205 -0.195 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.412 0.873 1.196 1.00 0.00 C ATOM 0 H VAL A 72 -4.545 -1.682 3.197 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.393 1.245 2.654 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.327 -1.054 1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.733 0.030 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.247 -0.487 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.778 1.229 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.777 0.685 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.713 1.921 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.859 0.647 2.108 1.00 0.00 H new ATOM 1050 N PRO A 73 -6.858 1.037 2.562 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.291 1.051 2.320 1.00 0.00 C ATOM 1052 C PRO A 73 -8.608 1.609 0.932 1.00 0.00 C ATOM 1053 O PRO A 73 -7.974 2.563 0.483 1.00 0.00 O ATOM 1054 CB PRO A 73 -8.872 1.892 3.445 1.00 0.00 C ATOM 1055 CG PRO A 73 -7.711 2.699 4.004 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.423 2.094 3.470 1.00 0.00 C ATOM 0 HA PRO A 73 -8.727 0.052 2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.661 2.547 3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.316 1.261 4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.794 3.744 3.706 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.720 2.677 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.821 2.839 2.950 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.809 1.695 4.277 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.589 0.991 0.290 1.00 0.00 N ATOM 1065 CA ILE A 74 -9.997 1.415 -1.039 1.00 0.00 C ATOM 1066 C ILE A 74 -11.118 2.450 -0.917 1.00 0.00 C ATOM 1067 O ILE A 74 -12.009 2.310 -0.080 1.00 0.00 O ATOM 1068 CB ILE A 74 -10.369 0.204 -1.896 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -9.261 -0.851 -1.865 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.716 0.629 -3.325 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -8.329 -0.702 -3.069 1.00 0.00 C ATOM 0 H ILE A 74 -10.113 0.200 0.665 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.169 1.900 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.262 -0.254 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.688 -0.755 -0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.703 -1.848 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.977 -0.251 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.562 1.316 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.857 1.125 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.551 -1.464 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.901 -0.823 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.871 0.287 -3.054 1.00 0.00 H new ATOM 1083 N PRO A 75 -11.035 3.492 -1.787 1.00 0.00 N ATOM 1084 CA PRO A 75 -12.031 4.549 -1.785 1.00 0.00 C ATOM 1085 C PRO A 75 -13.337 4.074 -2.426 1.00 0.00 C ATOM 1086 O PRO A 75 -13.407 2.963 -2.948 1.00 0.00 O ATOM 1087 CB PRO A 75 -11.384 5.700 -2.539 1.00 0.00 C ATOM 1088 CG PRO A 75 -10.242 5.089 -3.333 1.00 0.00 C ATOM 1089 CD PRO A 75 -9.994 3.690 -2.792 1.00 0.00 C ATOM 0 HA PRO A 75 -12.314 4.858 -0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.102 6.187 -3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.017 6.461 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.492 5.049 -4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.343 5.699 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.059 2.942 -3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.999 3.605 -2.354 1.00 0.00 H new ATOM 1097 N LYS A 76 -14.338 4.939 -2.364 1.00 0.00 N ATOM 1098 CA LYS A 76 -15.638 4.622 -2.931 1.00 0.00 C ATOM 1099 C LYS A 76 -15.658 5.028 -4.406 1.00 0.00 C ATOM 1100 O LYS A 76 -14.826 5.819 -4.848 1.00 0.00 O ATOM 1101 CB LYS A 76 -16.754 5.259 -2.102 1.00 0.00 C ATOM 1102 CG LYS A 76 -17.144 4.362 -0.926 1.00 0.00 C ATOM 1103 CD LYS A 76 -16.345 4.723 0.328 1.00 0.00 C ATOM 1104 CE LYS A 76 -17.075 5.782 1.157 1.00 0.00 C ATOM 1105 NZ LYS A 76 -18.121 5.154 1.994 1.00 0.00 N ATOM 0 H LYS A 76 -14.275 5.860 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.819 3.548 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.427 6.230 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.625 5.436 -2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.210 4.464 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.967 3.318 -1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.186 3.830 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.361 5.094 0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.363 6.311 1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.526 6.523 0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.607 5.886 2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.809 4.669 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.683 4.464 2.637 1.00 0.00 H new ATOM 1119 N VAL A 77 -16.619 4.469 -5.128 1.00 0.00 N ATOM 1120 CA VAL A 77 -16.759 4.762 -6.544 1.00 0.00 C ATOM 1121 C VAL A 77 -16.918 6.272 -6.733 1.00 0.00 C ATOM 1122 O VAL A 77 -17.411 6.965 -5.844 1.00 0.00 O ATOM 1123 CB VAL A 77 -17.921 3.960 -7.132 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -19.257 4.421 -6.546 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -17.932 4.050 -8.659 1.00 0.00 C ATOM 0 H VAL A 77 -17.308 3.814 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.865 4.458 -7.088 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.778 2.914 -6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -20.067 3.835 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -19.248 4.281 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -19.410 5.476 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.768 3.471 -9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -18.038 5.092 -8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.997 3.651 -9.054 1.00 0.00 H new ATOM 1135 N THR A 78 -16.490 6.738 -7.898 1.00 0.00 N ATOM 1136 CA THR A 78 -16.579 8.154 -8.215 1.00 0.00 C ATOM 1137 C THR A 78 -15.745 8.975 -7.230 1.00 0.00 C ATOM 1138 O THR A 78 -16.085 9.070 -6.052 1.00 0.00 O ATOM 1139 CB THR A 78 -18.059 8.543 -8.231 1.00 0.00 C ATOM 1140 OG1 THR A 78 -18.578 7.888 -9.385 1.00 0.00 O ATOM 1141 CG2 THR A 78 -18.270 10.030 -8.519 1.00 0.00 C ATOM 0 H THR A 78 -16.081 6.161 -8.633 1.00 0.00 H new ATOM 0 HA THR A 78 -16.162 8.366 -9.200 1.00 0.00 H new ATOM 0 HB THR A 78 -18.511 8.292 -7.271 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.534 8.085 -9.471 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.337 10.253 -8.519 1.00 0.00 H new ATOM 0 HG22 THR A 78 -17.775 10.623 -7.750 1.00 0.00 H new ATOM 0 HG23 THR A 78 -17.848 10.275 -9.494 1.00 0.00 H new ATOM 1149 N SER A 79 -14.669 9.547 -7.749 1.00 0.00 N ATOM 1150 CA SER A 79 -13.783 10.357 -6.930 1.00 0.00 C ATOM 1151 C SER A 79 -14.149 11.836 -7.068 1.00 0.00 C ATOM 1152 O SER A 79 -14.089 12.394 -8.162 1.00 0.00 O ATOM 1153 CB SER A 79 -12.319 10.134 -7.315 1.00 0.00 C ATOM 1154 OG SER A 79 -12.001 10.731 -8.569 1.00 0.00 O ATOM 0 H SER A 79 -14.390 9.466 -8.727 1.00 0.00 H new ATOM 0 HA SER A 79 -13.907 10.054 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.673 10.549 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.115 9.064 -7.360 1.00 0.00 H new ATOM 0 HG SER A 79 -12.713 11.354 -8.825 1.00 0.00 H new ATOM 1160 N GLY A 80 -14.521 12.428 -5.942 1.00 0.00 N ATOM 1161 CA GLY A 80 -14.897 13.832 -5.924 1.00 0.00 C ATOM 1162 C GLY A 80 -15.722 14.194 -7.161 1.00 0.00 C ATOM 1163 O GLY A 80 -16.349 13.328 -7.769 1.00 0.00 O ATOM 0 H GLY A 80 -14.570 11.961 -5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.472 14.047 -5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.001 14.452 -5.886 1.00 0.00 H new ATOM 1167 N PRO A 81 -15.695 15.510 -7.504 1.00 0.00 N ATOM 1168 CA PRO A 81 -16.433 15.998 -8.657 1.00 0.00 C ATOM 1169 C PRO A 81 -15.733 15.607 -9.961 1.00 0.00 C ATOM 1170 O PRO A 81 -14.633 16.077 -10.244 1.00 0.00 O ATOM 1171 CB PRO A 81 -16.522 17.502 -8.459 1.00 0.00 C ATOM 1172 CG PRO A 81 -15.439 17.855 -7.453 1.00 0.00 C ATOM 1173 CD PRO A 81 -14.964 16.564 -6.807 1.00 0.00 C ATOM 0 HA PRO A 81 -17.428 15.560 -8.736 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.368 18.030 -9.400 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.506 17.790 -8.090 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.610 18.362 -7.947 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.827 18.539 -6.698 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.887 16.439 -6.918 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.178 16.554 -5.738 1.00 0.00 H new ATOM 1181 N SER A 82 -16.402 14.751 -10.720 1.00 0.00 N ATOM 1182 CA SER A 82 -15.858 14.291 -11.987 1.00 0.00 C ATOM 1183 C SER A 82 -16.884 14.499 -13.102 1.00 0.00 C ATOM 1184 O SER A 82 -17.969 13.921 -13.068 1.00 0.00 O ATOM 1185 CB SER A 82 -15.449 12.819 -11.909 1.00 0.00 C ATOM 1186 OG SER A 82 -16.485 12.005 -11.365 1.00 0.00 O ATOM 0 H SER A 82 -17.315 14.364 -10.482 1.00 0.00 H new ATOM 0 HA SER A 82 -14.966 14.876 -12.209 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.192 12.461 -12.906 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.553 12.724 -11.295 1.00 0.00 H new ATOM 0 HG SER A 82 -17.351 12.301 -11.715 1.00 0.00 H new ATOM 1192 N SER A 83 -16.505 15.327 -14.065 1.00 0.00 N ATOM 1193 CA SER A 83 -17.379 15.619 -15.188 1.00 0.00 C ATOM 1194 C SER A 83 -16.681 16.571 -16.161 1.00 0.00 C ATOM 1195 O SER A 83 -16.626 17.777 -15.924 1.00 0.00 O ATOM 1196 CB SER A 83 -18.703 16.221 -14.715 1.00 0.00 C ATOM 1197 OG SER A 83 -18.504 17.360 -13.881 1.00 0.00 O ATOM 0 H SER A 83 -15.604 15.805 -14.090 1.00 0.00 H new ATOM 0 HA SER A 83 -17.600 14.683 -15.701 1.00 0.00 H new ATOM 0 HB2 SER A 83 -19.302 16.505 -15.580 1.00 0.00 H new ATOM 0 HB3 SER A 83 -19.270 15.467 -14.169 1.00 0.00 H new ATOM 0 HG SER A 83 -17.774 17.906 -14.242 1.00 0.00 H new ATOM 1203 N GLY A 84 -16.163 15.994 -17.236 1.00 0.00 N ATOM 1204 CA GLY A 84 -15.471 16.776 -18.245 1.00 0.00 C ATOM 1205 C GLY A 84 -15.406 16.021 -19.575 1.00 0.00 C ATOM 1206 O GLY A 84 -16.434 15.611 -20.111 1.00 0.00 O ATOM 0 H GLY A 84 -16.209 14.994 -17.429 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.983 17.727 -18.388 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.462 17.006 -17.903 1.00 0.00 H new TER 1210 GLY A 84