USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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 74 SER OG : rot -95:sc= 1.13 USER MOD Set 1.2: A 75 HIS : no HD1:sc= -0.0792 X(o=1.1,f=1.1) USER MOD Set 2.1: A 54 HIS : no HD1:sc= -3.65! C(o=-3.7!,f=-3.5!) USER MOD Set 2.2: A 58 SER OG : rot -120:sc= -0.0316 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0604 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.11) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.0984 F(o=-0.45,f=0.098) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.117 F(o=-1.2,f=-0.12) USER MOD Single : A 46 SER OG : rot 81:sc= -0.0826 USER MOD Single : A 53 GLN : amide:sc= -1.01 K(o=-1,f=-5.6!) USER MOD Single : A 59 SER OG : rot 1:sc= 0.737! USER MOD Single : A 60 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.75) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 67 ASN : amide:sc= 0.00338 X(o=0.0034,f=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0645 X(o=-0.064,f=0.077) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 65:sc= -1.99! USER MOD Single : A 77 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.1) USER MOD Single : A 79 THR OG1 : rot -110:sc= -0.668 USER MOD Single : A 82 MET CE :methyl -158:sc= -2.03 (180deg=-4.04!) USER MOD Single : A 85 MET CE :methyl -176:sc= 0 (180deg=-0.0109) USER MOD Single : A 86 GLN : amide:sc= -0.448 K(o=-0.45,f=-4.4!) USER MOD Single : A 87 HIS : no HE2:sc= -2.09 K(o=-2.1,f=-4.6) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -5.09! C(o=-7.3!,f=-5.1!) USER MOD Single : A 105 ASN : amide:sc= -4.78 K(o=-4.8,f=-13!) USER MOD Single : A 109 MET CE :methyl 176:sc= -7.95! (180deg=-8.41!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 89:sc= 1.18 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 165:sc= -1.7 (180deg=-2.08) USER MOD Single : A 124 GLN : amide:sc= -0.72 X(o=-0.72,f=-0.3) USER MOD Single : A 125 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.034) USER MOD Single : A 127 MET CE :methyl -157:sc= -1.66 (180deg=-2.73!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -13.812 11.102 -7.715 1.00 0.00 N ATOM 44 CA THR A 32 -15.059 10.787 -7.025 1.00 0.00 C ATOM 45 C THR A 32 -14.788 10.153 -5.665 1.00 0.00 C ATOM 46 O THR A 32 -13.735 9.555 -5.446 1.00 0.00 O ATOM 47 CB THR A 32 -15.925 9.850 -7.871 1.00 0.00 C ATOM 48 OG1 THR A 32 -16.974 9.300 -7.094 1.00 0.00 O ATOM 49 CG2 THR A 32 -15.158 8.697 -8.481 1.00 0.00 C ATOM 0 HA THR A 32 -15.596 11.723 -6.871 1.00 0.00 H new ATOM 0 HB THR A 32 -16.309 10.473 -8.679 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.517 8.705 -7.652 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.837 8.077 -9.066 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.372 9.085 -9.129 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.711 8.097 -7.688 1.00 0.00 H new ATOM 57 N SER A 33 -15.749 10.287 -4.755 1.00 0.00 N ATOM 58 CA SER A 33 -15.620 9.727 -3.414 1.00 0.00 C ATOM 59 C SER A 33 -15.325 8.232 -3.478 1.00 0.00 C ATOM 60 O SER A 33 -14.513 7.715 -2.710 1.00 0.00 O ATOM 61 CB SER A 33 -16.897 9.976 -2.611 1.00 0.00 C ATOM 62 OG SER A 33 -17.918 9.065 -2.981 1.00 0.00 O ATOM 0 H SER A 33 -16.626 10.779 -4.923 1.00 0.00 H new ATOM 0 HA SER A 33 -14.786 10.222 -2.916 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.686 9.877 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.240 10.998 -2.775 1.00 0.00 H new ATOM 0 HG SER A 33 -18.723 9.244 -2.452 1.00 0.00 H new ATOM 68 N SER A 34 -15.985 7.544 -4.404 1.00 0.00 N ATOM 69 CA SER A 34 -15.786 6.110 -4.576 1.00 0.00 C ATOM 70 C SER A 34 -14.360 5.820 -5.028 1.00 0.00 C ATOM 71 O SER A 34 -13.802 4.769 -4.716 1.00 0.00 O ATOM 72 CB SER A 34 -16.782 5.553 -5.595 1.00 0.00 C ATOM 73 OG SER A 34 -18.016 5.228 -4.978 1.00 0.00 O ATOM 0 H SER A 34 -16.662 7.956 -5.046 1.00 0.00 H new ATOM 0 HA SER A 34 -15.955 5.622 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.948 6.287 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.364 4.665 -6.069 1.00 0.00 H new ATOM 0 HG SER A 34 -18.635 4.876 -5.651 1.00 0.00 H new ATOM 79 N GLN A 35 -13.773 6.762 -5.762 1.00 0.00 N ATOM 80 CA GLN A 35 -12.409 6.605 -6.251 1.00 0.00 C ATOM 81 C GLN A 35 -11.418 6.634 -5.096 1.00 0.00 C ATOM 82 O GLN A 35 -10.523 5.793 -5.012 1.00 0.00 O ATOM 83 CB GLN A 35 -12.073 7.701 -7.258 1.00 0.00 C ATOM 84 CG GLN A 35 -10.695 7.558 -7.881 1.00 0.00 C ATOM 85 CD GLN A 35 -10.750 7.008 -9.293 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.042 6.059 -9.630 1.00 0.00 O ATOM 87 NE2 GLN A 35 -11.595 7.602 -10.127 1.00 0.00 N ATOM 0 H GLN A 35 -14.220 7.639 -6.030 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.335 5.638 -6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.822 7.696 -8.050 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.139 8.670 -6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.202 8.530 -7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.086 6.899 -7.261 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.163 8.386 -9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.676 7.275 -11.090 1.00 0.00 H new ATOM 96 N LEU A 36 -11.590 7.599 -4.197 1.00 0.00 N ATOM 97 CA LEU A 36 -10.715 7.724 -3.039 1.00 0.00 C ATOM 98 C LEU A 36 -10.649 6.399 -2.290 1.00 0.00 C ATOM 99 O LEU A 36 -9.569 5.914 -1.951 1.00 0.00 O ATOM 100 CB LEU A 36 -11.223 8.822 -2.101 1.00 0.00 C ATOM 101 CG LEU A 36 -10.676 10.222 -2.380 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.193 10.292 -2.048 1.00 0.00 C ATOM 103 CD2 LEU A 36 -10.920 10.607 -3.831 1.00 0.00 C ATOM 0 H LEU A 36 -12.326 8.303 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.717 7.991 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.311 8.856 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.970 8.548 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.202 10.933 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.821 11.296 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.045 10.058 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.649 9.572 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.525 11.606 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.420 9.894 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.991 10.597 -4.035 1.00 0.00 H new ATOM 115 N LEU A 37 -11.818 5.818 -2.045 1.00 0.00 N ATOM 116 CA LEU A 37 -11.907 4.546 -1.346 1.00 0.00 C ATOM 117 C LEU A 37 -11.647 3.372 -2.293 1.00 0.00 C ATOM 118 O LEU A 37 -11.350 2.264 -1.849 1.00 0.00 O ATOM 119 CB LEU A 37 -13.279 4.399 -0.678 1.00 0.00 C ATOM 120 CG LEU A 37 -14.402 3.902 -1.590 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.468 2.384 -1.574 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.736 4.501 -1.170 1.00 0.00 C ATOM 0 H LEU A 37 -12.718 6.210 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.136 4.532 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.184 3.710 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.569 5.365 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.187 4.225 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.272 2.048 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.520 1.975 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.659 2.039 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.523 4.136 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.959 4.209 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.683 5.588 -1.235 1.00 0.00 H new ATOM 134 N SER A 38 -11.767 3.614 -3.598 1.00 0.00 N ATOM 135 CA SER A 38 -11.548 2.560 -4.583 1.00 0.00 C ATOM 136 C SER A 38 -10.071 2.187 -4.675 1.00 0.00 C ATOM 137 O SER A 38 -9.728 1.052 -5.013 1.00 0.00 O ATOM 138 CB SER A 38 -12.055 2.998 -5.958 1.00 0.00 C ATOM 139 OG SER A 38 -11.675 2.071 -6.960 1.00 0.00 O ATOM 0 H SER A 38 -12.012 4.522 -3.993 1.00 0.00 H new ATOM 0 HA SER A 38 -12.106 1.683 -4.257 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.141 3.090 -5.936 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.656 3.983 -6.199 1.00 0.00 H new ATOM 0 HG SER A 38 -12.012 2.372 -7.829 1.00 0.00 H new ATOM 145 N VAL A 39 -9.197 3.141 -4.373 1.00 0.00 N ATOM 146 CA VAL A 39 -7.765 2.894 -4.430 1.00 0.00 C ATOM 147 C VAL A 39 -7.255 2.357 -3.104 1.00 0.00 C ATOM 148 O VAL A 39 -6.439 1.438 -3.069 1.00 0.00 O ATOM 149 CB VAL A 39 -6.978 4.164 -4.799 1.00 0.00 C ATOM 150 CG1 VAL A 39 -5.550 3.807 -5.175 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.665 4.909 -5.933 1.00 0.00 C ATOM 0 H VAL A 39 -9.455 4.086 -4.088 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.605 2.150 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.951 4.822 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.004 4.714 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.063 3.319 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.557 3.131 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.093 5.804 -6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.724 4.263 -6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.671 5.194 -5.624 1.00 0.00 H new ATOM 161 N ARG A 40 -7.746 2.925 -2.012 1.00 0.00 N ATOM 162 CA ARG A 40 -7.339 2.483 -0.688 1.00 0.00 C ATOM 163 C ARG A 40 -7.758 1.035 -0.464 1.00 0.00 C ATOM 164 O ARG A 40 -7.139 0.310 0.314 1.00 0.00 O ATOM 165 CB ARG A 40 -7.936 3.392 0.388 1.00 0.00 C ATOM 166 CG ARG A 40 -9.446 3.275 0.528 1.00 0.00 C ATOM 167 CD ARG A 40 -9.847 2.216 1.543 1.00 0.00 C ATOM 168 NE ARG A 40 -9.179 2.400 2.829 1.00 0.00 N ATOM 169 CZ ARG A 40 -9.332 1.580 3.867 1.00 0.00 C ATOM 170 NH1 ARG A 40 -10.126 0.521 3.774 1.00 0.00 N ATOM 171 NH2 ARG A 40 -8.690 1.821 5.002 1.00 0.00 N ATOM 0 H ARG A 40 -8.423 3.688 -2.017 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.253 2.543 -0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.473 3.156 1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.682 4.427 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.857 4.239 0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.881 3.031 -0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.927 2.246 1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.606 1.229 1.149 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.560 3.203 2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.623 0.331 2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.239 -0.103 4.573 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.079 2.634 5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.807 1.193 5.797 1.00 0.00 H new ATOM 185 N HIS A 41 -8.808 0.617 -1.167 1.00 0.00 N ATOM 186 CA HIS A 41 -9.305 -0.747 -1.063 1.00 0.00 C ATOM 187 C HIS A 41 -8.421 -1.692 -1.871 1.00 0.00 C ATOM 188 O HIS A 41 -8.141 -2.813 -1.446 1.00 0.00 O ATOM 189 CB HIS A 41 -10.751 -0.826 -1.561 1.00 0.00 C ATOM 190 CG HIS A 41 -11.770 -0.755 -0.466 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.309 0.308 0.179 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.359 -1.873 0.087 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.202 -0.184 1.099 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.214 -1.501 1.023 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.330 1.207 -1.815 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.279 -1.048 -0.016 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.929 -0.012 -2.264 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.886 -1.757 -2.111 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.092 1.291 0.012 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.153 -2.894 -0.200 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.798 0.411 1.775 1.00 0.00 H new ATOM 203 N GLN A 42 -7.982 -1.228 -3.039 1.00 0.00 N ATOM 204 CA GLN A 42 -7.126 -2.029 -3.908 1.00 0.00 C ATOM 205 C GLN A 42 -5.669 -1.972 -3.447 1.00 0.00 C ATOM 206 O GLN A 42 -4.911 -2.926 -3.628 1.00 0.00 O ATOM 207 CB GLN A 42 -7.251 -1.552 -5.363 1.00 0.00 C ATOM 208 CG GLN A 42 -6.431 -0.310 -5.689 1.00 0.00 C ATOM 209 CD GLN A 42 -5.285 -0.599 -6.638 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.130 -0.947 -6.083 1.00 0.00 O flip ATOM 211 NE2 GLN A 42 -5.435 -0.511 -7.857 1.00 0.00 N flip ATOM 0 H GLN A 42 -8.205 -0.302 -3.404 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.455 -3.066 -3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.943 -2.361 -6.026 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.300 -1.347 -5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.082 0.445 -6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.035 0.112 -4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.340 -0.240 -8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.654 -0.709 -8.483 1.00 0.00 H new ATOM 220 N LEU A 43 -5.284 -0.845 -2.853 1.00 0.00 N ATOM 221 CA LEU A 43 -3.920 -0.659 -2.370 1.00 0.00 C ATOM 222 C LEU A 43 -3.686 -1.435 -1.078 1.00 0.00 C ATOM 223 O LEU A 43 -2.748 -2.225 -0.978 1.00 0.00 O ATOM 224 CB LEU A 43 -3.636 0.835 -2.146 1.00 0.00 C ATOM 225 CG LEU A 43 -2.168 1.285 -2.284 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.599 1.679 -0.930 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.303 0.206 -2.923 1.00 0.00 C ATOM 0 H LEU A 43 -5.899 -0.047 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.237 -1.043 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.236 1.406 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.982 1.102 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.156 2.154 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.562 1.994 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.182 2.501 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.644 0.825 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.276 0.563 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.329 -0.693 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.685 -0.025 -3.918 1.00 0.00 H new ATOM 239 N ALA A 44 -4.546 -1.207 -0.089 1.00 0.00 N ATOM 240 CA ALA A 44 -4.431 -1.888 1.195 1.00 0.00 C ATOM 241 C ALA A 44 -4.465 -3.401 1.018 1.00 0.00 C ATOM 242 O ALA A 44 -3.780 -4.135 1.730 1.00 0.00 O ATOM 243 CB ALA A 44 -5.541 -1.440 2.134 1.00 0.00 C ATOM 0 H ALA A 44 -5.329 -0.556 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.470 -1.620 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.441 -1.957 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.469 -0.364 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.509 -1.677 1.692 1.00 0.00 H new ATOM 249 N GLU A 45 -5.264 -3.862 0.061 1.00 0.00 N ATOM 250 CA GLU A 45 -5.385 -5.289 -0.212 1.00 0.00 C ATOM 251 C GLU A 45 -4.032 -5.883 -0.587 1.00 0.00 C ATOM 252 O GLU A 45 -3.642 -6.936 -0.081 1.00 0.00 O ATOM 253 CB GLU A 45 -6.392 -5.531 -1.339 1.00 0.00 C ATOM 254 CG GLU A 45 -7.811 -5.763 -0.846 1.00 0.00 C ATOM 255 CD GLU A 45 -8.755 -6.168 -1.961 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.308 -6.869 -2.893 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.942 -5.783 -1.902 1.00 0.00 O ATOM 0 H GLU A 45 -5.837 -3.268 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.741 -5.780 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.385 -4.673 -2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.073 -6.395 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.804 -6.539 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.181 -4.853 -0.374 1.00 0.00 H new ATOM 264 N SER A 46 -3.317 -5.198 -1.474 1.00 0.00 N ATOM 265 CA SER A 46 -2.005 -5.655 -1.914 1.00 0.00 C ATOM 266 C SER A 46 -0.939 -5.342 -0.867 1.00 0.00 C ATOM 267 O SER A 46 0.090 -6.014 -0.794 1.00 0.00 O ATOM 268 CB SER A 46 -1.634 -5.001 -3.246 1.00 0.00 C ATOM 269 OG SER A 46 -2.674 -5.153 -4.197 1.00 0.00 O ATOM 0 H SER A 46 -3.625 -4.325 -1.902 1.00 0.00 H new ATOM 0 HA SER A 46 -2.051 -6.736 -2.048 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.432 -3.941 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.717 -5.447 -3.631 1.00 0.00 H new ATOM 0 HG SER A 46 -3.367 -4.479 -4.034 1.00 0.00 H new ATOM 275 N ALA A 47 -1.191 -4.315 -0.060 1.00 0.00 N ATOM 276 CA ALA A 47 -0.252 -3.912 0.981 1.00 0.00 C ATOM 277 C ALA A 47 -0.270 -4.888 2.153 1.00 0.00 C ATOM 278 O ALA A 47 -0.877 -4.617 3.189 1.00 0.00 O ATOM 279 CB ALA A 47 -0.572 -2.505 1.462 1.00 0.00 C ATOM 0 H ALA A 47 -2.037 -3.747 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 47 0.750 -3.922 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.136 -2.216 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.498 -1.809 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.584 -2.480 1.866 1.00 0.00 H new ATOM 285 N GLY A 48 0.400 -6.024 1.984 1.00 0.00 N ATOM 286 CA GLY A 48 0.448 -7.019 3.039 1.00 0.00 C ATOM 287 C GLY A 48 0.886 -8.381 2.538 1.00 0.00 C ATOM 288 O GLY A 48 0.271 -8.944 1.633 1.00 0.00 O ATOM 0 H GLY A 48 0.910 -6.273 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.134 -6.685 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.537 -7.104 3.498 1.00 0.00 H new ATOM 292 N LEU A 49 1.951 -8.914 3.130 1.00 0.00 N ATOM 293 CA LEU A 49 2.468 -10.222 2.738 1.00 0.00 C ATOM 294 C LEU A 49 1.545 -11.336 3.229 1.00 0.00 C ATOM 295 O LEU A 49 0.964 -11.238 4.310 1.00 0.00 O ATOM 296 CB LEU A 49 3.877 -10.430 3.300 1.00 0.00 C ATOM 297 CG LEU A 49 4.979 -9.595 2.638 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.350 -10.068 3.095 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.870 -9.665 1.121 1.00 0.00 C ATOM 0 H LEU A 49 2.472 -8.462 3.881 1.00 0.00 H new ATOM 0 HA LEU A 49 2.511 -10.257 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.862 -10.201 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.136 -11.484 3.204 1.00 0.00 H new ATOM 0 HG LEU A 49 4.851 -8.556 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.121 -9.465 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.429 -9.964 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.484 -11.114 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.661 -9.065 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.970 -10.701 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.900 -9.279 0.808 1.00 0.00 H new ATOM 311 N PRO A 50 1.395 -12.414 2.439 1.00 0.00 N ATOM 312 CA PRO A 50 0.534 -13.543 2.806 1.00 0.00 C ATOM 313 C PRO A 50 1.006 -14.242 4.082 1.00 0.00 C ATOM 314 O PRO A 50 0.501 -13.964 5.170 1.00 0.00 O ATOM 315 CB PRO A 50 0.626 -14.484 1.597 1.00 0.00 C ATOM 316 CG PRO A 50 1.875 -14.088 0.886 1.00 0.00 C ATOM 317 CD PRO A 50 2.046 -12.616 1.133 1.00 0.00 C ATOM 0 HA PRO A 50 -0.485 -13.223 3.023 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.666 -15.527 1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.245 -14.380 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.731 -14.648 1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.799 -14.298 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.098 -12.332 1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.575 -12.020 0.352 1.00 0.00 H new ATOM 325 N ARG A 51 1.974 -15.147 3.949 1.00 0.00 N ATOM 326 CA ARG A 51 2.500 -15.872 5.100 1.00 0.00 C ATOM 327 C ARG A 51 3.977 -16.206 4.910 1.00 0.00 C ATOM 328 O ARG A 51 4.838 -15.683 5.618 1.00 0.00 O ATOM 329 CB ARG A 51 1.699 -17.155 5.330 1.00 0.00 C ATOM 330 CG ARG A 51 1.933 -17.781 6.696 1.00 0.00 C ATOM 331 CD ARG A 51 2.844 -18.994 6.607 1.00 0.00 C ATOM 332 NE ARG A 51 3.633 -19.176 7.823 1.00 0.00 N ATOM 333 CZ ARG A 51 3.154 -19.712 8.943 1.00 0.00 C ATOM 334 NH1 ARG A 51 1.893 -20.119 9.006 1.00 0.00 N ATOM 335 NH2 ARG A 51 3.940 -19.842 10.003 1.00 0.00 N ATOM 0 H ARG A 51 2.407 -15.394 3.059 1.00 0.00 H new ATOM 0 HA ARG A 51 2.404 -15.229 5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.637 -16.936 5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.959 -17.879 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.374 -17.042 7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.978 -18.074 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.244 -19.886 6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.513 -18.883 5.754 1.00 0.00 H new ATOM 0 HE ARG A 51 4.607 -18.875 7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.285 -20.022 8.193 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.532 -20.529 9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.911 -19.531 9.959 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.574 -20.253 10.862 1.00 0.00 H new ATOM 349 N ASP A 52 4.262 -17.083 3.952 1.00 0.00 N ATOM 350 CA ASP A 52 5.634 -17.490 3.670 1.00 0.00 C ATOM 351 C ASP A 52 6.463 -16.309 3.176 1.00 0.00 C ATOM 352 O ASP A 52 7.670 -16.244 3.409 1.00 0.00 O ATOM 353 CB ASP A 52 5.652 -18.611 2.629 1.00 0.00 C ATOM 354 CG ASP A 52 4.671 -19.720 2.956 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.687 -20.208 4.106 1.00 0.00 O ATOM 356 OD2 ASP A 52 3.887 -20.102 2.062 1.00 0.00 O ATOM 0 H ASP A 52 3.561 -17.525 3.358 1.00 0.00 H new ATOM 0 HA ASP A 52 6.074 -17.857 4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.414 -18.197 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.658 -19.027 2.564 1.00 0.00 H new ATOM 361 N GLN A 53 5.806 -15.378 2.492 1.00 0.00 N ATOM 362 CA GLN A 53 6.481 -14.197 1.963 1.00 0.00 C ATOM 363 C GLN A 53 7.194 -13.431 3.074 1.00 0.00 C ATOM 364 O GLN A 53 8.321 -12.969 2.898 1.00 0.00 O ATOM 365 CB GLN A 53 5.474 -13.284 1.259 1.00 0.00 C ATOM 366 CG GLN A 53 5.869 -12.924 -0.163 1.00 0.00 C ATOM 367 CD GLN A 53 4.668 -12.685 -1.058 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.141 -11.575 -1.126 1.00 0.00 O ATOM 369 NE2 GLN A 53 4.229 -13.730 -1.751 1.00 0.00 N ATOM 0 H GLN A 53 4.807 -15.418 2.291 1.00 0.00 H new ATOM 0 HA GLN A 53 7.228 -14.528 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.501 -13.774 1.244 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.360 -12.368 1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.491 -12.029 -0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.476 -13.727 -0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.697 -14.632 -1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.424 -13.630 -2.370 1.00 0.00 H new ATOM 378 N HIS A 54 6.528 -13.299 4.216 1.00 0.00 N ATOM 379 CA HIS A 54 7.096 -12.588 5.356 1.00 0.00 C ATOM 380 C HIS A 54 8.184 -13.417 6.032 1.00 0.00 C ATOM 381 O HIS A 54 9.184 -12.879 6.507 1.00 0.00 O ATOM 382 CB HIS A 54 5.996 -12.245 6.365 1.00 0.00 C ATOM 383 CG HIS A 54 6.504 -11.578 7.606 1.00 0.00 C ATOM 384 ND1 HIS A 54 7.337 -12.205 8.509 1.00 0.00 N ATOM 385 CD2 HIS A 54 6.295 -10.331 8.092 1.00 0.00 C ATOM 386 CE1 HIS A 54 7.619 -11.373 9.496 1.00 0.00 C ATOM 387 NE2 HIS A 54 7.000 -10.230 9.267 1.00 0.00 N ATOM 0 H HIS A 54 5.594 -13.675 4.377 1.00 0.00 H new ATOM 0 HA HIS A 54 7.547 -11.666 4.990 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.266 -11.593 5.886 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.472 -13.160 6.643 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.688 -9.560 7.640 1.00 0.00 H new ATOM 0 HE1 HIS A 54 8.249 -11.591 10.346 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.039 -9.405 9.866 1.00 0.00 H new ATOM 396 N GLU A 55 7.980 -14.729 6.074 1.00 0.00 N ATOM 397 CA GLU A 55 8.940 -15.635 6.697 1.00 0.00 C ATOM 398 C GLU A 55 10.322 -15.508 6.060 1.00 0.00 C ATOM 399 O GLU A 55 11.328 -15.872 6.667 1.00 0.00 O ATOM 400 CB GLU A 55 8.446 -17.080 6.591 1.00 0.00 C ATOM 401 CG GLU A 55 7.841 -17.611 7.881 1.00 0.00 C ATOM 402 CD GLU A 55 7.059 -18.894 7.673 1.00 0.00 C ATOM 403 OE1 GLU A 55 6.389 -19.017 6.626 1.00 0.00 O ATOM 404 OE2 GLU A 55 7.117 -19.774 8.557 1.00 0.00 O ATOM 0 H GLU A 55 7.158 -15.190 5.684 1.00 0.00 H new ATOM 0 HA GLU A 55 9.027 -15.359 7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.702 -17.144 5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.279 -17.720 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.636 -17.788 8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.183 -16.854 8.308 1.00 0.00 H new ATOM 411 N PHE A 56 10.369 -14.998 4.834 1.00 0.00 N ATOM 412 CA PHE A 56 11.634 -14.836 4.125 1.00 0.00 C ATOM 413 C PHE A 56 12.170 -13.413 4.275 1.00 0.00 C ATOM 414 O PHE A 56 13.310 -13.209 4.685 1.00 0.00 O ATOM 415 CB PHE A 56 11.454 -15.195 2.642 1.00 0.00 C ATOM 416 CG PHE A 56 12.343 -14.427 1.699 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.718 -14.601 1.718 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.798 -13.530 0.794 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.532 -13.895 0.853 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.608 -12.821 -0.073 1.00 0.00 C ATOM 421 CZ PHE A 56 13.976 -13.004 -0.044 1.00 0.00 C ATOM 0 H PHE A 56 9.549 -14.690 4.312 1.00 0.00 H new ATOM 0 HA PHE A 56 12.366 -15.514 4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.645 -16.260 2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.415 -15.022 2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 56 14.158 -15.297 2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.728 -13.383 0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.602 -14.040 0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.171 -12.124 -0.773 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.610 -12.452 -0.721 1.00 0.00 H new ATOM 431 N VAL A 57 11.342 -12.434 3.932 1.00 0.00 N ATOM 432 CA VAL A 57 11.736 -11.031 4.016 1.00 0.00 C ATOM 433 C VAL A 57 11.972 -10.579 5.458 1.00 0.00 C ATOM 434 O VAL A 57 12.464 -9.475 5.690 1.00 0.00 O ATOM 435 CB VAL A 57 10.677 -10.114 3.370 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.347 -10.228 4.102 1.00 0.00 C ATOM 437 CG2 VAL A 57 11.159 -8.669 3.342 1.00 0.00 C ATOM 0 H VAL A 57 10.392 -12.585 3.592 1.00 0.00 H new ATOM 0 HA VAL A 57 12.675 -10.948 3.470 1.00 0.00 H new ATOM 0 HB VAL A 57 10.526 -10.440 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.615 -9.573 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.994 -11.258 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.478 -9.934 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.397 -8.040 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.345 -8.328 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.080 -8.604 2.763 1.00 0.00 H new ATOM 447 N SER A 58 11.608 -11.417 6.427 1.00 0.00 N ATOM 448 CA SER A 58 11.776 -11.059 7.833 1.00 0.00 C ATOM 449 C SER A 58 12.803 -11.942 8.543 1.00 0.00 C ATOM 450 O SER A 58 13.556 -11.462 9.390 1.00 0.00 O ATOM 451 CB SER A 58 10.434 -11.147 8.560 1.00 0.00 C ATOM 452 OG SER A 58 10.501 -10.524 9.831 1.00 0.00 O ATOM 0 H SER A 58 11.200 -12.338 6.267 1.00 0.00 H new ATOM 0 HA SER A 58 12.150 -10.035 7.860 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.659 -10.671 7.959 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.149 -12.192 8.678 1.00 0.00 H new ATOM 0 HG SER A 58 10.296 -11.181 10.529 1.00 0.00 H new ATOM 458 N SER A 59 12.819 -13.233 8.222 1.00 0.00 N ATOM 459 CA SER A 59 13.749 -14.158 8.872 1.00 0.00 C ATOM 460 C SER A 59 14.891 -14.589 7.951 1.00 0.00 C ATOM 461 O SER A 59 15.846 -15.221 8.403 1.00 0.00 O ATOM 462 CB SER A 59 12.999 -15.393 9.373 1.00 0.00 C ATOM 463 OG SER A 59 13.901 -16.420 9.749 1.00 0.00 O ATOM 0 H SER A 59 12.208 -13.660 7.526 1.00 0.00 H new ATOM 0 HA SER A 59 14.192 -13.623 9.712 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.375 -15.123 10.225 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.332 -15.759 8.593 1.00 0.00 H new ATOM 0 HG SER A 59 14.822 -16.110 9.621 1.00 0.00 H new ATOM 469 N GLN A 60 14.799 -14.261 6.667 1.00 0.00 N ATOM 470 CA GLN A 60 15.843 -14.641 5.717 1.00 0.00 C ATOM 471 C GLN A 60 16.515 -13.415 5.105 1.00 0.00 C ATOM 472 O GLN A 60 17.698 -13.166 5.335 1.00 0.00 O ATOM 473 CB GLN A 60 15.260 -15.523 4.614 1.00 0.00 C ATOM 474 CG GLN A 60 15.159 -16.990 4.998 1.00 0.00 C ATOM 475 CD GLN A 60 15.366 -17.917 3.817 1.00 0.00 C ATOM 476 OE1 GLN A 60 14.441 -18.605 3.383 1.00 0.00 O ATOM 477 NE2 GLN A 60 16.584 -17.941 3.289 1.00 0.00 N ATOM 0 H GLN A 60 14.022 -13.739 6.261 1.00 0.00 H new ATOM 0 HA GLN A 60 16.600 -15.203 6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.268 -15.155 4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.879 -15.431 3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.901 -17.213 5.765 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.180 -17.180 5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.321 -17.354 3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.783 -18.546 2.492 1.00 0.00 H new ATOM 486 N ALA A 61 15.754 -12.659 4.319 1.00 0.00 N ATOM 487 CA ALA A 61 16.270 -11.460 3.662 1.00 0.00 C ATOM 488 C ALA A 61 17.118 -10.616 4.614 1.00 0.00 C ATOM 489 O ALA A 61 16.892 -10.615 5.825 1.00 0.00 O ATOM 490 CB ALA A 61 15.121 -10.634 3.105 1.00 0.00 C ATOM 0 H ALA A 61 14.773 -12.856 4.120 1.00 0.00 H new ATOM 0 HA ALA A 61 16.913 -11.779 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.516 -9.743 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.564 -11.228 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.458 -10.339 3.918 1.00 0.00 H new ATOM 496 N PRO A 62 18.109 -9.886 4.075 1.00 0.00 N ATOM 497 CA PRO A 62 18.993 -9.035 4.879 1.00 0.00 C ATOM 498 C PRO A 62 18.255 -7.851 5.495 1.00 0.00 C ATOM 499 O PRO A 62 17.179 -7.470 5.035 1.00 0.00 O ATOM 500 CB PRO A 62 20.039 -8.549 3.873 1.00 0.00 C ATOM 501 CG PRO A 62 19.368 -8.649 2.547 1.00 0.00 C ATOM 502 CD PRO A 62 18.445 -9.831 2.640 1.00 0.00 C ATOM 0 HA PRO A 62 19.418 -9.577 5.724 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.345 -7.525 4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.938 -9.164 3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.814 -7.738 2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.098 -8.785 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.556 -9.697 2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.930 -10.748 2.305 1.00 0.00 H new ATOM 510 N GLN A 63 18.842 -7.273 6.540 1.00 0.00 N ATOM 511 CA GLN A 63 18.241 -6.131 7.222 1.00 0.00 C ATOM 512 C GLN A 63 17.911 -5.014 6.235 1.00 0.00 C ATOM 513 O GLN A 63 16.883 -4.348 6.358 1.00 0.00 O ATOM 514 CB GLN A 63 19.183 -5.605 8.307 1.00 0.00 C ATOM 515 CG GLN A 63 18.554 -4.543 9.194 1.00 0.00 C ATOM 516 CD GLN A 63 18.404 -4.997 10.633 1.00 0.00 C ATOM 517 OE1 GLN A 63 18.206 -6.181 10.905 1.00 0.00 O ATOM 518 NE2 GLN A 63 18.497 -4.055 11.563 1.00 0.00 N ATOM 0 H GLN A 63 19.733 -7.577 6.933 1.00 0.00 H new ATOM 0 HA GLN A 63 17.313 -6.466 7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.510 -6.439 8.928 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.074 -5.191 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.165 -3.641 9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.574 -4.277 8.797 1.00 0.00 H new ATOM 0 HE21 GLN A 63 18.662 -3.086 11.292 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.404 -4.300 12.549 1.00 0.00 H new ATOM 527 N SER A 64 18.787 -4.817 5.254 1.00 0.00 N ATOM 528 CA SER A 64 18.584 -3.783 4.245 1.00 0.00 C ATOM 529 C SER A 64 17.250 -3.977 3.534 1.00 0.00 C ATOM 530 O SER A 64 16.528 -3.015 3.269 1.00 0.00 O ATOM 531 CB SER A 64 19.726 -3.802 3.228 1.00 0.00 C ATOM 532 OG SER A 64 20.197 -5.121 3.012 1.00 0.00 O ATOM 0 H SER A 64 19.643 -5.359 5.137 1.00 0.00 H new ATOM 0 HA SER A 64 18.572 -2.815 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.384 -3.376 2.285 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.543 -3.175 3.583 1.00 0.00 H new ATOM 0 HG SER A 64 20.925 -5.105 2.357 1.00 0.00 H new ATOM 538 N LEU A 65 16.925 -5.230 3.233 1.00 0.00 N ATOM 539 CA LEU A 65 15.675 -5.555 2.558 1.00 0.00 C ATOM 540 C LEU A 65 14.484 -5.269 3.466 1.00 0.00 C ATOM 541 O LEU A 65 13.400 -4.924 2.996 1.00 0.00 O ATOM 542 CB LEU A 65 15.669 -7.024 2.132 1.00 0.00 C ATOM 543 CG LEU A 65 14.778 -7.348 0.931 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.311 -7.198 1.299 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.128 -6.451 -0.247 1.00 0.00 C ATOM 0 H LEU A 65 17.511 -6.037 3.446 1.00 0.00 H new ATOM 0 HA LEU A 65 15.592 -4.929 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.691 -7.322 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.346 -7.630 2.978 1.00 0.00 H new ATOM 0 HG LEU A 65 14.954 -8.384 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.693 -7.432 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.068 -7.881 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.118 -6.173 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.485 -6.694 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.980 -5.408 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.170 -6.607 -0.526 1.00 0.00 H new ATOM 557 N ARG A 66 14.695 -5.413 4.771 1.00 0.00 N ATOM 558 CA ARG A 66 13.641 -5.168 5.748 1.00 0.00 C ATOM 559 C ARG A 66 13.402 -3.671 5.923 1.00 0.00 C ATOM 560 O ARG A 66 12.278 -3.236 6.172 1.00 0.00 O ATOM 561 CB ARG A 66 14.007 -5.797 7.093 1.00 0.00 C ATOM 562 CG ARG A 66 14.498 -7.231 6.980 1.00 0.00 C ATOM 563 CD ARG A 66 14.944 -7.776 8.327 1.00 0.00 C ATOM 564 NE ARG A 66 15.654 -9.046 8.197 1.00 0.00 N ATOM 565 CZ ARG A 66 16.258 -9.665 9.209 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.242 -9.134 10.426 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.881 -10.818 9.005 1.00 0.00 N ATOM 0 H ARG A 66 15.587 -5.698 5.176 1.00 0.00 H new ATOM 0 HA ARG A 66 12.723 -5.626 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.780 -5.193 7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.135 -5.771 7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.702 -7.858 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.328 -7.278 6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.591 -7.048 8.816 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.074 -7.912 8.969 1.00 0.00 H new ATOM 0 HE ARG A 66 15.689 -9.484 7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.765 -8.247 10.589 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.707 -9.613 11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.897 -11.231 8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.344 -11.292 9.781 1.00 0.00 H new ATOM 581 N ASN A 67 14.468 -2.889 5.790 1.00 0.00 N ATOM 582 CA ASN A 67 14.378 -1.440 5.934 1.00 0.00 C ATOM 583 C ASN A 67 13.396 -0.853 4.924 1.00 0.00 C ATOM 584 O ASN A 67 12.560 -0.019 5.270 1.00 0.00 O ATOM 585 CB ASN A 67 15.756 -0.801 5.754 1.00 0.00 C ATOM 586 CG ASN A 67 16.557 -0.782 7.041 1.00 0.00 C ATOM 587 OD1 ASN A 67 16.351 0.075 7.901 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.478 -1.728 7.180 1.00 0.00 N ATOM 0 H ASN A 67 15.405 -3.234 5.583 1.00 0.00 H new ATOM 0 HA ASN A 67 14.013 -1.222 6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.311 -1.349 4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.636 0.219 5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.048 -1.764 8.025 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.615 -2.419 6.442 1.00 0.00 H new ATOM 595 N ARG A 68 13.502 -1.295 3.675 1.00 0.00 N ATOM 596 CA ARG A 68 12.622 -0.813 2.617 1.00 0.00 C ATOM 597 C ARG A 68 11.220 -1.397 2.765 1.00 0.00 C ATOM 598 O ARG A 68 10.238 -0.798 2.326 1.00 0.00 O ATOM 599 CB ARG A 68 13.196 -1.166 1.243 1.00 0.00 C ATOM 600 CG ARG A 68 13.227 -2.659 0.957 1.00 0.00 C ATOM 601 CD ARG A 68 13.389 -2.937 -0.529 1.00 0.00 C ATOM 602 NE ARG A 68 12.792 -4.213 -0.917 1.00 0.00 N ATOM 603 CZ ARG A 68 12.601 -4.588 -2.180 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.952 -3.786 -3.179 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.056 -5.767 -2.446 1.00 0.00 N ATOM 0 H ARG A 68 14.188 -1.986 3.371 1.00 0.00 H new ATOM 0 HA ARG A 68 12.553 0.271 2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.604 -0.670 0.474 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.209 -0.770 1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.048 -3.119 1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.306 -3.119 1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.927 -2.132 -1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.449 -2.941 -0.783 1.00 0.00 H new ATOM 0 HE ARG A 68 12.505 -4.854 -0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.370 -2.877 -2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.803 -4.079 -4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.783 -6.387 -1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.910 -6.054 -3.414 1.00 0.00 H new ATOM 619 N TYR A 69 11.134 -2.570 3.386 1.00 0.00 N ATOM 620 CA TYR A 69 9.852 -3.235 3.593 1.00 0.00 C ATOM 621 C TYR A 69 8.894 -2.341 4.376 1.00 0.00 C ATOM 622 O TYR A 69 7.774 -2.080 3.938 1.00 0.00 O ATOM 623 CB TYR A 69 10.057 -4.559 4.333 1.00 0.00 C ATOM 624 CG TYR A 69 8.772 -5.299 4.627 1.00 0.00 C ATOM 625 CD1 TYR A 69 8.069 -5.069 5.803 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.262 -6.228 3.730 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.895 -5.744 6.077 1.00 0.00 C ATOM 628 CE2 TYR A 69 7.088 -6.907 3.995 1.00 0.00 C ATOM 629 CZ TYR A 69 6.408 -6.661 5.170 1.00 0.00 C ATOM 630 OH TYR A 69 5.239 -7.336 5.438 1.00 0.00 O ATOM 0 H TYR A 69 11.937 -3.079 3.755 1.00 0.00 H new ATOM 0 HA TYR A 69 9.412 -3.437 2.616 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.707 -5.200 3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.576 -4.363 5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.447 -4.350 6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.792 -6.423 2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.362 -5.554 6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.705 -7.626 3.286 1.00 0.00 H new ATOM 0 HH TYR A 69 4.656 -6.774 5.990 1.00 0.00 H new ATOM 640 N ASN A 70 9.343 -1.875 5.537 1.00 0.00 N ATOM 641 CA ASN A 70 8.526 -1.011 6.381 1.00 0.00 C ATOM 642 C ASN A 70 8.376 0.375 5.760 1.00 0.00 C ATOM 643 O ASN A 70 7.364 1.047 5.955 1.00 0.00 O ATOM 644 CB ASN A 70 9.144 -0.892 7.776 1.00 0.00 C ATOM 645 CG ASN A 70 8.130 -0.482 8.825 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.377 0.473 8.637 1.00 0.00 O ATOM 647 ND2 ASN A 70 8.106 -1.205 9.939 1.00 0.00 N ATOM 0 H ASN A 70 10.268 -2.081 5.915 1.00 0.00 H new ATOM 0 HA ASN A 70 7.537 -1.461 6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.587 -1.848 8.057 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.952 -0.161 7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.445 -0.977 10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.749 -1.989 10.052 1.00 0.00 H new ATOM 654 N ASN A 71 9.392 0.796 5.014 1.00 0.00 N ATOM 655 CA ASN A 71 9.373 2.103 4.366 1.00 0.00 C ATOM 656 C ASN A 71 8.201 2.217 3.396 1.00 0.00 C ATOM 657 O ASN A 71 7.362 3.108 3.525 1.00 0.00 O ATOM 658 CB ASN A 71 10.688 2.347 3.624 1.00 0.00 C ATOM 659 CG ASN A 71 11.774 2.886 4.534 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.729 2.703 5.750 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.759 3.556 3.947 1.00 0.00 N ATOM 0 H ASN A 71 10.238 0.252 4.843 1.00 0.00 H new ATOM 0 HA ASN A 71 9.253 2.860 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.026 1.414 3.173 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.517 3.051 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.518 3.942 4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.756 3.684 2.935 1.00 0.00 H new ATOM 668 N LEU A 72 8.149 1.311 2.424 1.00 0.00 N ATOM 669 CA LEU A 72 7.079 1.316 1.433 1.00 0.00 C ATOM 670 C LEU A 72 5.713 1.192 2.102 1.00 0.00 C ATOM 671 O LEU A 72 4.736 1.798 1.659 1.00 0.00 O ATOM 672 CB LEU A 72 7.276 0.180 0.426 1.00 0.00 C ATOM 673 CG LEU A 72 7.445 -1.214 1.037 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.095 -1.792 1.435 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.159 -2.139 0.060 1.00 0.00 C ATOM 0 H LEU A 72 8.834 0.565 2.302 1.00 0.00 H new ATOM 0 HA LEU A 72 7.117 2.268 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.420 0.162 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.154 0.402 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 72 8.055 -1.125 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.236 -2.783 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.622 -1.140 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.458 -1.868 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.271 -3.126 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.574 -2.222 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.143 -1.732 -0.173 1.00 0.00 H new ATOM 687 N TYR A 73 5.649 0.407 3.173 1.00 0.00 N ATOM 688 CA TYR A 73 4.399 0.212 3.897 1.00 0.00 C ATOM 689 C TYR A 73 4.071 1.431 4.751 1.00 0.00 C ATOM 690 O TYR A 73 2.902 1.743 4.979 1.00 0.00 O ATOM 691 CB TYR A 73 4.477 -1.039 4.775 1.00 0.00 C ATOM 692 CG TYR A 73 3.123 -1.573 5.192 1.00 0.00 C ATOM 693 CD1 TYR A 73 2.058 -1.598 4.298 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.909 -2.051 6.478 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.821 -2.084 4.675 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.675 -2.540 6.862 1.00 0.00 C ATOM 697 CZ TYR A 73 0.634 -2.554 5.958 1.00 0.00 C ATOM 698 OH TYR A 73 -0.596 -3.039 6.337 1.00 0.00 O ATOM 0 H TYR A 73 6.445 -0.102 3.557 1.00 0.00 H new ATOM 0 HA TYR A 73 3.603 0.079 3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.015 -1.818 4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.059 -0.810 5.668 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.200 -1.231 3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.721 -2.040 7.190 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.004 -2.096 3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.527 -2.910 7.866 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.558 -3.331 7.272 1.00 0.00 H new ATOM 708 N SER A 74 5.107 2.124 5.217 1.00 0.00 N ATOM 709 CA SER A 74 4.921 3.315 6.039 1.00 0.00 C ATOM 710 C SER A 74 4.025 4.320 5.323 1.00 0.00 C ATOM 711 O SER A 74 3.192 4.982 5.943 1.00 0.00 O ATOM 712 CB SER A 74 6.271 3.955 6.364 1.00 0.00 C ATOM 713 OG SER A 74 6.731 4.753 5.288 1.00 0.00 O ATOM 0 H SER A 74 6.082 1.881 5.040 1.00 0.00 H new ATOM 0 HA SER A 74 4.440 3.018 6.971 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.180 4.567 7.261 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.002 3.177 6.582 1.00 0.00 H new ATOM 0 HG SER A 74 7.337 4.227 4.726 1.00 0.00 H new ATOM 719 N HIS A 75 4.197 4.417 4.009 1.00 0.00 N ATOM 720 CA HIS A 75 3.400 5.328 3.198 1.00 0.00 C ATOM 721 C HIS A 75 2.044 4.708 2.873 1.00 0.00 C ATOM 722 O HIS A 75 1.066 5.417 2.636 1.00 0.00 O ATOM 723 CB HIS A 75 4.138 5.675 1.903 1.00 0.00 C ATOM 724 CG HIS A 75 5.590 5.979 2.102 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.588 5.423 1.329 1.00 0.00 N ATOM 726 CD2 HIS A 75 6.213 6.790 2.991 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.761 5.877 1.735 1.00 0.00 C ATOM 728 NE2 HIS A 75 7.560 6.708 2.741 1.00 0.00 N ATOM 0 H HIS A 75 4.882 3.875 3.483 1.00 0.00 H new ATOM 0 HA HIS A 75 3.240 6.243 3.769 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.042 4.842 1.206 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.656 6.536 1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.738 7.389 3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.720 5.613 1.315 1.00 0.00 H new ATOM 0 HE2 HIS A 75 8.288 7.208 3.250 1.00 0.00 H new ATOM 737 N THR A 76 1.994 3.379 2.864 1.00 0.00 N ATOM 738 CA THR A 76 0.759 2.662 2.569 1.00 0.00 C ATOM 739 C THR A 76 -0.224 2.759 3.730 1.00 0.00 C ATOM 740 O THR A 76 -1.436 2.840 3.526 1.00 0.00 O ATOM 741 CB THR A 76 1.055 1.194 2.269 1.00 0.00 C ATOM 742 OG1 THR A 76 2.107 1.074 1.329 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.142 0.450 1.722 1.00 0.00 C ATOM 0 H THR A 76 2.795 2.778 3.058 1.00 0.00 H new ATOM 0 HA THR A 76 0.307 3.126 1.692 1.00 0.00 H new ATOM 0 HB THR A 76 1.335 0.751 3.225 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.937 1.415 1.722 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.131 -0.587 1.529 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.954 0.482 2.449 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.468 0.918 0.793 1.00 0.00 H new ATOM 751 N GLN A 77 0.303 2.744 4.949 1.00 0.00 N ATOM 752 CA GLN A 77 -0.532 2.823 6.141 1.00 0.00 C ATOM 753 C GLN A 77 -1.055 4.241 6.353 1.00 0.00 C ATOM 754 O GLN A 77 -2.158 4.434 6.865 1.00 0.00 O ATOM 755 CB GLN A 77 0.255 2.367 7.372 1.00 0.00 C ATOM 756 CG GLN A 77 1.489 3.208 7.652 1.00 0.00 C ATOM 757 CD GLN A 77 2.309 2.671 8.809 1.00 0.00 C ATOM 758 OE1 GLN A 77 2.070 1.565 9.294 1.00 0.00 O ATOM 759 NE2 GLN A 77 3.282 3.455 9.259 1.00 0.00 N ATOM 0 H GLN A 77 1.303 2.678 5.137 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.386 2.161 5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.400 2.397 8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.557 1.329 7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.110 3.245 6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.185 4.232 7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.445 4.365 8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.866 3.148 10.037 1.00 0.00 H new ATOM 768 N ARG A 78 -0.259 5.230 5.959 1.00 0.00 N ATOM 769 CA ARG A 78 -0.648 6.628 6.111 1.00 0.00 C ATOM 770 C ARG A 78 -1.496 7.096 4.931 1.00 0.00 C ATOM 771 O ARG A 78 -2.449 7.856 5.105 1.00 0.00 O ATOM 772 CB ARG A 78 0.592 7.514 6.247 1.00 0.00 C ATOM 773 CG ARG A 78 1.496 7.490 5.025 1.00 0.00 C ATOM 774 CD ARG A 78 1.169 8.625 4.068 1.00 0.00 C ATOM 775 NE ARG A 78 1.905 9.845 4.394 1.00 0.00 N ATOM 776 CZ ARG A 78 3.205 10.011 4.162 1.00 0.00 C ATOM 777 NH1 ARG A 78 3.917 9.040 3.604 1.00 0.00 N ATOM 778 NH2 ARG A 78 3.795 11.153 4.489 1.00 0.00 N ATOM 0 H ARG A 78 0.657 5.090 5.533 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.248 6.711 7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.276 8.540 6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.164 7.193 7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.537 7.566 5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.388 6.536 4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.406 8.320 3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.099 8.828 4.099 1.00 0.00 H new ATOM 0 HE ARG A 78 1.392 10.614 4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.468 8.160 3.350 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.913 9.174 3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.252 11.903 4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.791 11.281 4.312 1.00 0.00 H new ATOM 792 N THR A 79 -1.146 6.640 3.732 1.00 0.00 N ATOM 793 CA THR A 79 -1.880 7.018 2.529 1.00 0.00 C ATOM 794 C THR A 79 -3.326 6.536 2.598 1.00 0.00 C ATOM 795 O THR A 79 -4.256 7.288 2.307 1.00 0.00 O ATOM 796 CB THR A 79 -1.198 6.447 1.283 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.781 6.977 0.105 1.00 0.00 O ATOM 798 CG2 THR A 79 -1.275 4.938 1.195 1.00 0.00 C ATOM 0 H THR A 79 -0.361 6.010 3.568 1.00 0.00 H new ATOM 0 HA THR A 79 -1.881 8.106 2.465 1.00 0.00 H new ATOM 0 HB THR A 79 -0.151 6.736 1.370 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.283 6.273 -0.357 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.772 4.600 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.789 4.497 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.320 4.628 1.167 1.00 0.00 H new ATOM 806 N LEU A 80 -3.507 5.276 2.984 1.00 0.00 N ATOM 807 CA LEU A 80 -4.839 4.692 3.092 1.00 0.00 C ATOM 808 C LEU A 80 -5.725 5.520 4.018 1.00 0.00 C ATOM 809 O LEU A 80 -6.929 5.644 3.794 1.00 0.00 O ATOM 810 CB LEU A 80 -4.749 3.254 3.608 1.00 0.00 C ATOM 811 CG LEU A 80 -4.228 2.229 2.598 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.871 0.926 3.297 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.264 1.988 1.515 1.00 0.00 C ATOM 0 H LEU A 80 -2.747 4.640 3.227 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.286 4.688 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.100 3.239 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.739 2.942 3.940 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.325 2.625 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.502 0.209 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.098 1.113 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.757 0.521 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.882 1.257 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.181 1.610 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.474 2.924 0.997 1.00 0.00 H new ATOM 825 N ASP A 81 -5.120 6.084 5.058 1.00 0.00 N ATOM 826 CA ASP A 81 -5.853 6.900 6.020 1.00 0.00 C ATOM 827 C ASP A 81 -6.428 8.145 5.351 1.00 0.00 C ATOM 828 O ASP A 81 -7.629 8.404 5.429 1.00 0.00 O ATOM 829 CB ASP A 81 -4.938 7.304 7.177 1.00 0.00 C ATOM 830 CG ASP A 81 -4.723 6.174 8.165 1.00 0.00 C ATOM 831 OD1 ASP A 81 -5.673 5.395 8.393 1.00 0.00 O ATOM 832 OD2 ASP A 81 -3.604 6.067 8.711 1.00 0.00 O ATOM 0 H ASP A 81 -4.124 5.991 5.257 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.679 6.305 6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.975 7.624 6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.369 8.160 7.696 1.00 0.00 H new ATOM 837 N MET A 82 -5.563 8.911 4.695 1.00 0.00 N ATOM 838 CA MET A 82 -5.984 10.130 4.011 1.00 0.00 C ATOM 839 C MET A 82 -7.063 9.834 2.972 1.00 0.00 C ATOM 840 O MET A 82 -7.825 10.720 2.588 1.00 0.00 O ATOM 841 CB MET A 82 -4.783 10.801 3.341 1.00 0.00 C ATOM 842 CG MET A 82 -3.826 11.455 4.324 1.00 0.00 C ATOM 843 SD MET A 82 -2.336 12.087 3.528 1.00 0.00 S ATOM 844 CE MET A 82 -1.595 10.565 2.942 1.00 0.00 C ATOM 0 H MET A 82 -4.566 8.710 4.622 1.00 0.00 H new ATOM 0 HA MET A 82 -6.404 10.806 4.755 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.240 10.057 2.758 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.142 11.555 2.640 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.336 12.273 4.832 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.545 10.730 5.088 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.527 10.717 2.787 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.746 9.779 3.681 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.061 10.272 2.001 1.00 0.00 H new ATOM 854 N ALA A 83 -7.122 8.585 2.520 1.00 0.00 N ATOM 855 CA ALA A 83 -8.108 8.178 1.527 1.00 0.00 C ATOM 856 C ALA A 83 -9.320 7.526 2.184 1.00 0.00 C ATOM 857 O ALA A 83 -10.019 6.728 1.559 1.00 0.00 O ATOM 858 CB ALA A 83 -7.479 7.231 0.518 1.00 0.00 C ATOM 0 H ALA A 83 -6.498 7.838 2.826 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.451 9.072 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.226 6.935 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.653 7.733 0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.106 6.346 1.033 1.00 0.00 H new ATOM 864 N ASP A 84 -9.565 7.868 3.445 1.00 0.00 N ATOM 865 CA ASP A 84 -10.695 7.314 4.182 1.00 0.00 C ATOM 866 C ASP A 84 -11.376 8.389 5.023 1.00 0.00 C ATOM 867 O ASP A 84 -11.997 8.093 6.044 1.00 0.00 O ATOM 868 CB ASP A 84 -10.232 6.165 5.080 1.00 0.00 C ATOM 869 CG ASP A 84 -11.286 5.085 5.224 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.483 5.430 5.313 1.00 0.00 O ATOM 871 OD2 ASP A 84 -10.914 3.892 5.246 1.00 0.00 O ATOM 0 H ASP A 84 -8.996 8.526 3.978 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.416 6.933 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.322 5.729 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.979 6.556 6.065 1.00 0.00 H new ATOM 876 N MET A 85 -11.254 9.640 4.588 1.00 0.00 N ATOM 877 CA MET A 85 -11.855 10.761 5.302 1.00 0.00 C ATOM 878 C MET A 85 -12.659 11.647 4.355 1.00 0.00 C ATOM 879 O MET A 85 -13.744 12.115 4.698 1.00 0.00 O ATOM 880 CB MET A 85 -10.771 11.590 5.992 1.00 0.00 C ATOM 881 CG MET A 85 -10.028 10.833 7.080 1.00 0.00 C ATOM 882 SD MET A 85 -9.703 11.844 8.537 1.00 0.00 S ATOM 883 CE MET A 85 -8.601 13.079 7.854 1.00 0.00 C ATOM 0 H MET A 85 -10.744 9.902 3.744 1.00 0.00 H new ATOM 0 HA MET A 85 -12.533 10.357 6.054 1.00 0.00 H new ATOM 0 HB2 MET A 85 -10.055 11.931 5.244 1.00 0.00 H new ATOM 0 HB3 MET A 85 -11.227 12.480 6.426 1.00 0.00 H new ATOM 0 HG2 MET A 85 -10.611 9.960 7.372 1.00 0.00 H new ATOM 0 HG3 MET A 85 -9.083 10.466 6.680 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.254 13.738 8.650 1.00 0.00 H new ATOM 0 HE2 MET A 85 -7.745 12.587 7.391 1.00 0.00 H new ATOM 0 HE3 MET A 85 -9.132 13.665 7.104 1.00 0.00 H new ATOM 893 N GLN A 86 -12.111 11.878 3.166 1.00 0.00 N ATOM 894 CA GLN A 86 -12.760 12.716 2.157 1.00 0.00 C ATOM 895 C GLN A 86 -14.261 12.436 2.057 1.00 0.00 C ATOM 896 O GLN A 86 -15.040 13.323 1.708 1.00 0.00 O ATOM 897 CB GLN A 86 -12.105 12.501 0.792 1.00 0.00 C ATOM 898 CG GLN A 86 -12.543 13.509 -0.258 1.00 0.00 C ATOM 899 CD GLN A 86 -13.190 12.855 -1.463 1.00 0.00 C ATOM 900 OE1 GLN A 86 -13.818 11.802 -1.350 1.00 0.00 O ATOM 901 NE2 GLN A 86 -13.039 13.477 -2.626 1.00 0.00 N ATOM 0 H GLN A 86 -11.212 11.494 2.874 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.634 13.753 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.022 12.554 0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.340 11.497 0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.246 14.212 0.190 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.678 14.087 -0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.510 14.348 -2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.452 13.084 -3.472 1.00 0.00 H new ATOM 910 N HIS A 87 -14.662 11.205 2.359 1.00 0.00 N ATOM 911 CA HIS A 87 -16.074 10.830 2.292 1.00 0.00 C ATOM 912 C HIS A 87 -16.751 10.993 3.652 1.00 0.00 C ATOM 913 O HIS A 87 -17.510 10.126 4.087 1.00 0.00 O ATOM 914 CB HIS A 87 -16.242 9.385 1.795 1.00 0.00 C ATOM 915 CG HIS A 87 -14.989 8.765 1.258 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.024 8.204 2.066 1.00 0.00 N ATOM 917 CD2 HIS A 87 -14.550 8.611 -0.013 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.046 7.732 1.316 1.00 0.00 C ATOM 919 NE2 HIS A 87 -13.340 7.965 0.050 1.00 0.00 N ATOM 0 H HIS A 87 -14.036 10.454 2.651 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.554 11.501 1.580 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.613 8.772 2.617 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.004 9.368 1.016 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -14.060 8.160 3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -15.057 8.936 -0.910 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.156 7.239 1.677 1.00 0.00 H new ATOM 1110 N LEU A 101 -4.846 17.331 0.251 1.00 0.00 N ATOM 1111 CA LEU A 101 -5.752 17.204 -0.885 1.00 0.00 C ATOM 1112 C LEU A 101 -6.169 15.747 -1.083 1.00 0.00 C ATOM 1113 O LEU A 101 -5.337 14.842 -1.009 1.00 0.00 O ATOM 1114 CB LEU A 101 -5.086 17.734 -2.156 1.00 0.00 C ATOM 1115 CG LEU A 101 -4.274 19.019 -1.973 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -2.831 18.819 -2.419 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -4.916 20.170 -2.735 1.00 0.00 C ATOM 0 HA LEU A 101 -6.644 17.796 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.429 16.960 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.857 17.913 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.268 19.268 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.275 19.746 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.373 18.028 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.811 18.540 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.325 21.075 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.957 19.926 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.927 20.335 -2.362 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.467 15.498 -1.332 1.00 0.00 N ATOM 1130 CA PRO A 102 -7.987 14.140 -1.532 1.00 0.00 C ATOM 1131 C PRO A 102 -7.205 13.352 -2.581 1.00 0.00 C ATOM 1132 O PRO A 102 -7.238 12.121 -2.591 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.423 14.374 -2.003 1.00 0.00 C ATOM 1134 CG PRO A 102 -9.795 15.702 -1.443 1.00 0.00 C ATOM 1135 CD PRO A 102 -8.531 16.516 -1.429 1.00 0.00 C ATOM 0 HA PRO A 102 -7.910 13.544 -0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.488 14.371 -3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.090 13.591 -1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.561 16.182 -2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.205 15.601 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.430 17.117 -2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.506 17.204 -0.584 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.508 14.059 -3.465 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.731 13.405 -4.512 1.00 0.00 C ATOM 1145 C HIS A 103 -4.353 12.987 -4.001 1.00 0.00 C ATOM 1146 O HIS A 103 -3.732 12.075 -4.547 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.591 14.323 -5.729 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.654 15.474 -5.518 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.315 15.569 -5.694 1.00 0.00 N flip ATOM 1150 CD2 HIS A 103 -5.069 16.711 -5.073 1.00 0.00 C flip ATOM 1151 CE1 HIS A 103 -2.950 16.849 -5.357 1.00 0.00 C flip ATOM 1152 NE2 HIS A 103 -4.026 17.518 -4.986 1.00 0.00 N flip ATOM 0 H HIS A 103 -6.465 15.078 -3.478 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.267 12.504 -4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.242 13.734 -6.577 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.574 14.712 -5.993 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.693 14.828 -6.017 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.087 16.979 -4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.946 17.244 -5.390 1.00 0.00 H new ATOM 1161 N GLU A 104 -3.880 13.651 -2.948 1.00 0.00 N ATOM 1162 CA GLU A 104 -2.577 13.335 -2.369 1.00 0.00 C ATOM 1163 C GLU A 104 -2.476 11.848 -2.052 1.00 0.00 C ATOM 1164 O GLU A 104 -1.520 11.182 -2.450 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.343 14.154 -1.099 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.181 15.643 -1.356 1.00 0.00 C ATOM 1167 CD GLU A 104 -0.741 16.035 -1.626 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.217 15.666 -2.698 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.138 16.709 -0.765 1.00 0.00 O ATOM 0 H GLU A 104 -4.378 14.408 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.810 13.590 -3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.180 14.000 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.451 13.782 -0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.798 15.930 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.549 16.199 -0.494 1.00 0.00 H new ATOM 1176 N ASN A 105 -3.474 11.331 -1.343 1.00 0.00 N ATOM 1177 CA ASN A 105 -3.500 9.920 -0.987 1.00 0.00 C ATOM 1178 C ASN A 105 -3.476 9.059 -2.244 1.00 0.00 C ATOM 1179 O ASN A 105 -2.699 8.110 -2.342 1.00 0.00 O ATOM 1180 CB ASN A 105 -4.744 9.600 -0.155 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.009 10.164 -0.767 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -6.589 9.572 -1.677 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -6.445 11.315 -0.270 1.00 0.00 N ATOM 0 H ASN A 105 -4.273 11.868 -1.005 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.615 9.698 -0.390 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.843 8.519 -0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.619 10.003 0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.292 11.743 -0.643 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.933 11.771 0.485 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.328 9.410 -3.207 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.413 8.684 -4.474 1.00 0.00 C ATOM 1192 C VAL A 106 -3.024 8.413 -5.046 1.00 0.00 C ATOM 1193 O VAL A 106 -2.632 7.260 -5.234 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.244 9.471 -5.510 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -5.313 8.724 -6.834 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -6.642 9.744 -4.976 1.00 0.00 C ATOM 0 H VAL A 106 -4.972 10.197 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.906 7.734 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 106 -4.749 10.426 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -5.904 9.300 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.306 8.585 -7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -5.779 7.751 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.213 10.300 -5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.142 8.799 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.573 10.330 -4.059 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.280 9.481 -5.315 1.00 0.00 N ATOM 1207 CA ASP A 107 -0.932 9.353 -5.856 1.00 0.00 C ATOM 1208 C ASP A 107 -0.068 8.511 -4.925 1.00 0.00 C ATOM 1209 O ASP A 107 0.807 7.768 -5.371 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.301 10.733 -6.049 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.511 11.274 -7.450 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -1.424 10.781 -8.146 1.00 0.00 O ATOM 1213 OD2 ASP A 107 0.237 12.190 -7.851 1.00 0.00 O ATOM 0 H ASP A 107 -2.587 10.442 -5.168 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.994 8.858 -6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.727 11.429 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.767 10.673 -5.842 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.327 8.632 -3.627 1.00 0.00 N ATOM 1219 CA ASP A 108 0.418 7.882 -2.624 1.00 0.00 C ATOM 1220 C ASP A 108 0.069 6.397 -2.676 1.00 0.00 C ATOM 1221 O ASP A 108 0.851 5.553 -2.237 1.00 0.00 O ATOM 1222 CB ASP A 108 0.132 8.437 -1.227 1.00 0.00 C ATOM 1223 CG ASP A 108 1.042 9.595 -0.867 1.00 0.00 C ATOM 1224 OD1 ASP A 108 0.773 10.726 -1.323 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.025 9.370 -0.130 1.00 0.00 O ATOM 0 H ASP A 108 -1.049 9.244 -3.245 1.00 0.00 H new ATOM 0 HA ASP A 108 1.480 7.991 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.906 8.765 -1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.252 7.642 -0.491 1.00 0.00 H new ATOM 1230 N MET A 109 -1.107 6.078 -3.215 1.00 0.00 N ATOM 1231 CA MET A 109 -1.541 4.688 -3.318 1.00 0.00 C ATOM 1232 C MET A 109 -0.658 3.924 -4.294 1.00 0.00 C ATOM 1233 O MET A 109 -0.068 2.900 -3.947 1.00 0.00 O ATOM 1234 CB MET A 109 -2.999 4.603 -3.777 1.00 0.00 C ATOM 1235 CG MET A 109 -3.919 5.598 -3.093 1.00 0.00 C ATOM 1236 SD MET A 109 -3.865 5.476 -1.296 1.00 0.00 S ATOM 1237 CE MET A 109 -5.599 5.216 -0.938 1.00 0.00 C ATOM 0 H MET A 109 -1.771 6.759 -3.584 1.00 0.00 H new ATOM 0 HA MET A 109 -1.456 4.239 -2.328 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.041 4.766 -4.854 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.369 3.595 -3.593 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.641 6.609 -3.393 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.941 5.434 -3.433 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.729 5.049 0.131 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.169 6.095 -1.240 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.957 4.345 -1.487 1.00 0.00 H new ATOM 1247 N ARG A 110 -0.570 4.432 -5.517 1.00 0.00 N ATOM 1248 CA ARG A 110 0.242 3.802 -6.551 1.00 0.00 C ATOM 1249 C ARG A 110 1.690 3.671 -6.092 1.00 0.00 C ATOM 1250 O ARG A 110 2.400 2.752 -6.499 1.00 0.00 O ATOM 1251 CB ARG A 110 0.174 4.609 -7.850 1.00 0.00 C ATOM 1252 CG ARG A 110 -1.219 5.129 -8.171 1.00 0.00 C ATOM 1253 CD ARG A 110 -1.549 4.981 -9.649 1.00 0.00 C ATOM 1254 NE ARG A 110 -2.629 4.022 -9.874 1.00 0.00 N ATOM 1255 CZ ARG A 110 -2.901 3.478 -11.058 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -2.178 3.796 -12.125 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -3.900 2.614 -11.176 1.00 0.00 N ATOM 0 H ARG A 110 -1.051 5.280 -5.818 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.156 2.804 -6.736 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.861 5.453 -7.780 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.519 3.985 -8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.955 4.587 -7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.290 6.179 -7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.835 5.951 -10.056 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.659 4.658 -10.189 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.208 3.754 -9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.409 4.461 -12.040 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.392 3.376 -13.029 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.459 2.367 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.109 2.197 -12.083 1.00 0.00 H new ATOM 1271 N SER A 111 2.118 4.593 -5.236 1.00 0.00 N ATOM 1272 CA SER A 111 3.479 4.576 -4.715 1.00 0.00 C ATOM 1273 C SER A 111 3.720 3.310 -3.900 1.00 0.00 C ATOM 1274 O SER A 111 4.776 2.685 -3.999 1.00 0.00 O ATOM 1275 CB SER A 111 3.734 5.813 -3.853 1.00 0.00 C ATOM 1276 OG SER A 111 4.373 6.833 -4.600 1.00 0.00 O ATOM 0 H SER A 111 1.542 5.360 -4.889 1.00 0.00 H new ATOM 0 HA SER A 111 4.171 4.587 -5.557 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.789 6.185 -3.458 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.353 5.543 -2.998 1.00 0.00 H new ATOM 0 HG SER A 111 4.523 7.613 -4.026 1.00 0.00 H new ATOM 1282 N ALA A 112 2.727 2.936 -3.098 1.00 0.00 N ATOM 1283 CA ALA A 112 2.824 1.741 -2.270 1.00 0.00 C ATOM 1284 C ALA A 112 2.860 0.486 -3.133 1.00 0.00 C ATOM 1285 O ALA A 112 3.704 -0.388 -2.940 1.00 0.00 O ATOM 1286 CB ALA A 112 1.660 1.679 -1.292 1.00 0.00 C ATOM 0 H ALA A 112 1.847 3.444 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 112 3.754 1.792 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.746 0.781 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.678 2.559 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.721 1.653 -1.845 1.00 0.00 H new ATOM 1292 N ILE A 113 1.939 0.405 -4.088 1.00 0.00 N ATOM 1293 CA ILE A 113 1.869 -0.743 -4.981 1.00 0.00 C ATOM 1294 C ILE A 113 3.147 -0.865 -5.808 1.00 0.00 C ATOM 1295 O ILE A 113 3.559 -1.964 -6.172 1.00 0.00 O ATOM 1296 CB ILE A 113 0.635 -0.663 -5.914 1.00 0.00 C ATOM 1297 CG1 ILE A 113 0.003 -2.047 -6.076 1.00 0.00 C ATOM 1298 CG2 ILE A 113 1.002 -0.084 -7.276 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.123 -2.315 -5.101 1.00 0.00 C ATOM 0 H ILE A 113 1.233 1.120 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 113 1.766 -1.633 -4.360 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.091 0.007 -5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.376 -2.148 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.774 -2.807 -5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.113 -0.042 -7.905 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.403 0.921 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.752 -0.717 -7.750 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.524 -3.314 -5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.745 -2.247 -4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.913 -1.577 -5.245 1.00 0.00 H new ATOM 1311 N THR A 114 3.774 0.272 -6.095 1.00 0.00 N ATOM 1312 CA THR A 114 5.009 0.285 -6.871 1.00 0.00 C ATOM 1313 C THR A 114 6.085 -0.535 -6.169 1.00 0.00 C ATOM 1314 O THR A 114 6.866 -1.237 -6.812 1.00 0.00 O ATOM 1315 CB THR A 114 5.494 1.722 -7.078 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.517 2.487 -7.761 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.782 1.812 -7.869 1.00 0.00 C ATOM 0 H THR A 114 3.448 1.193 -5.803 1.00 0.00 H new ATOM 0 HA THR A 114 4.809 -0.160 -7.845 1.00 0.00 H new ATOM 0 HB THR A 114 5.674 2.113 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.902 2.887 -7.111 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.069 2.858 -7.979 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.570 1.273 -7.344 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.635 1.371 -8.855 1.00 0.00 H new ATOM 1325 N ASP A 115 6.114 -0.443 -4.844 1.00 0.00 N ATOM 1326 CA ASP A 115 7.086 -1.178 -4.046 1.00 0.00 C ATOM 1327 C ASP A 115 6.563 -2.570 -3.707 1.00 0.00 C ATOM 1328 O ASP A 115 7.301 -3.553 -3.765 1.00 0.00 O ATOM 1329 CB ASP A 115 7.406 -0.412 -2.761 1.00 0.00 C ATOM 1330 CG ASP A 115 8.865 -0.531 -2.365 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.404 -1.657 -2.419 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.468 0.500 -2.003 1.00 0.00 O ATOM 0 H ASP A 115 5.474 0.135 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 115 7.999 -1.284 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.154 0.640 -2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.781 -0.789 -1.951 1.00 0.00 H new ATOM 1337 N TRP A 116 5.282 -2.646 -3.356 1.00 0.00 N ATOM 1338 CA TRP A 116 4.658 -3.919 -3.013 1.00 0.00 C ATOM 1339 C TRP A 116 4.595 -4.833 -4.231 1.00 0.00 C ATOM 1340 O TRP A 116 5.011 -5.990 -4.174 1.00 0.00 O ATOM 1341 CB TRP A 116 3.252 -3.691 -2.455 1.00 0.00 C ATOM 1342 CG TRP A 116 3.241 -3.363 -0.994 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.112 -2.126 -0.432 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.368 -4.287 0.093 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.149 -2.223 0.937 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.306 -3.540 1.285 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.528 -5.673 0.175 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.397 -4.133 2.541 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.618 -6.261 1.423 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.552 -5.491 2.592 1.00 0.00 C ATOM 0 H TRP A 116 4.657 -1.842 -3.302 1.00 0.00 H new ATOM 0 HA TRP A 116 5.267 -4.401 -2.248 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.777 -2.879 -3.006 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.652 -4.585 -2.624 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.997 -1.205 -0.984 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.072 -1.442 1.589 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.580 -6.274 -0.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.347 -3.542 3.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.741 -7.331 1.498 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.625 -5.980 3.552 1.00 0.00 H new ATOM 1361 N SER A 117 4.079 -4.302 -5.336 1.00 0.00 N ATOM 1362 CA SER A 117 3.973 -5.068 -6.572 1.00 0.00 C ATOM 1363 C SER A 117 5.346 -5.566 -7.005 1.00 0.00 C ATOM 1364 O SER A 117 5.530 -6.750 -7.292 1.00 0.00 O ATOM 1365 CB SER A 117 3.352 -4.216 -7.681 1.00 0.00 C ATOM 1366 OG SER A 117 3.061 -5.000 -8.825 1.00 0.00 O ATOM 0 H SER A 117 3.729 -3.346 -5.400 1.00 0.00 H new ATOM 0 HA SER A 117 3.327 -5.927 -6.389 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.438 -3.748 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.036 -3.412 -7.952 1.00 0.00 H new ATOM 0 HG SER A 117 2.664 -4.432 -9.518 1.00 0.00 H new ATOM 1372 N ASP A 118 6.313 -4.654 -7.035 1.00 0.00 N ATOM 1373 CA ASP A 118 7.676 -4.997 -7.415 1.00 0.00 C ATOM 1374 C ASP A 118 8.245 -6.038 -6.459 1.00 0.00 C ATOM 1375 O ASP A 118 9.056 -6.879 -6.848 1.00 0.00 O ATOM 1376 CB ASP A 118 8.559 -3.748 -7.413 1.00 0.00 C ATOM 1377 CG ASP A 118 9.950 -4.021 -7.952 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.630 -4.919 -7.412 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.359 -3.337 -8.914 1.00 0.00 O ATOM 0 H ASP A 118 6.176 -3.671 -6.800 1.00 0.00 H new ATOM 0 HA ASP A 118 7.660 -5.414 -8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.086 -2.971 -8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.636 -3.362 -6.396 1.00 0.00 H new ATOM 1384 N MET A 119 7.806 -5.976 -5.205 1.00 0.00 N ATOM 1385 CA MET A 119 8.261 -6.913 -4.187 1.00 0.00 C ATOM 1386 C MET A 119 7.610 -8.277 -4.382 1.00 0.00 C ATOM 1387 O MET A 119 8.221 -9.311 -4.121 1.00 0.00 O ATOM 1388 CB MET A 119 7.940 -6.377 -2.791 1.00 0.00 C ATOM 1389 CG MET A 119 8.647 -7.127 -1.675 1.00 0.00 C ATOM 1390 SD MET A 119 8.412 -6.357 -0.063 1.00 0.00 S ATOM 1391 CE MET A 119 10.111 -6.154 0.464 1.00 0.00 C ATOM 0 H MET A 119 7.135 -5.285 -4.871 1.00 0.00 H new ATOM 0 HA MET A 119 9.341 -7.025 -4.285 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.217 -5.324 -2.742 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.863 -6.431 -2.629 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.278 -8.152 -1.641 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.713 -7.179 -1.896 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.151 -5.462 1.305 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.515 -7.119 0.768 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.703 -5.757 -0.361 1.00 0.00 H new ATOM 1401 N ARG A 120 6.364 -8.274 -4.848 1.00 0.00 N ATOM 1402 CA ARG A 120 5.632 -9.514 -5.082 1.00 0.00 C ATOM 1403 C ARG A 120 6.437 -10.457 -5.972 1.00 0.00 C ATOM 1404 O ARG A 120 6.513 -11.658 -5.713 1.00 0.00 O ATOM 1405 CB ARG A 120 4.277 -9.217 -5.726 1.00 0.00 C ATOM 1406 CG ARG A 120 3.156 -10.118 -5.232 1.00 0.00 C ATOM 1407 CD ARG A 120 1.824 -9.743 -5.862 1.00 0.00 C ATOM 1408 NE ARG A 120 0.841 -10.818 -5.744 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.156 -11.077 -4.634 1.00 0.00 C ATOM 1410 NH1 ARG A 120 0.343 -10.344 -3.543 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.720 -12.073 -4.613 1.00 0.00 N ATOM 0 H ARG A 120 5.841 -7.427 -5.071 1.00 0.00 H new ATOM 0 HA ARG A 120 5.469 -10.000 -4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.011 -8.179 -5.529 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.367 -9.323 -6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.392 -11.156 -5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.080 -10.045 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 120 1.437 -8.844 -5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 120 1.975 -9.504 -6.915 1.00 0.00 H new ATOM 0 HE ARG A 120 0.670 -11.404 -6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.015 -9.577 -3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -0.186 -10.548 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.868 -12.640 -5.448 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.246 -12.272 -3.762 1.00 0.00 H new ATOM 1425 N GLU A 121 7.038 -9.901 -7.019 1.00 0.00 N ATOM 1426 CA GLU A 121 7.840 -10.689 -7.948 1.00 0.00 C ATOM 1427 C GLU A 121 9.273 -10.834 -7.443 1.00 0.00 C ATOM 1428 O GLU A 121 9.903 -11.875 -7.625 1.00 0.00 O ATOM 1429 CB GLU A 121 7.834 -10.041 -9.335 1.00 0.00 C ATOM 1430 CG GLU A 121 7.004 -10.801 -10.357 1.00 0.00 C ATOM 1431 CD GLU A 121 7.799 -11.880 -11.065 1.00 0.00 C ATOM 1432 OE1 GLU A 121 7.923 -12.990 -10.505 1.00 0.00 O ATOM 1433 OE2 GLU A 121 8.298 -11.616 -12.179 1.00 0.00 O ATOM 0 H GLU A 121 6.985 -8.908 -7.245 1.00 0.00 H new ATOM 0 HA GLU A 121 7.399 -11.683 -8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.450 -9.024 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.860 -9.965 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.146 -11.254 -9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.611 -10.101 -11.094 1.00 0.00 H new ATOM 1440 N ALA A 122 9.782 -9.782 -6.808 1.00 0.00 N ATOM 1441 CA ALA A 122 11.140 -9.793 -6.277 1.00 0.00 C ATOM 1442 C ALA A 122 11.261 -10.753 -5.098 1.00 0.00 C ATOM 1443 O ALA A 122 12.059 -11.690 -5.126 1.00 0.00 O ATOM 1444 CB ALA A 122 11.556 -8.390 -5.860 1.00 0.00 C ATOM 0 H ALA A 122 9.274 -8.912 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 122 11.808 -10.140 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.572 -8.414 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.518 -7.727 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.877 -8.023 -5.091 1.00 0.00 H new ATOM 1450 N LEU A 123 10.461 -10.513 -4.065 1.00 0.00 N ATOM 1451 CA LEU A 123 10.472 -11.354 -2.873 1.00 0.00 C ATOM 1452 C LEU A 123 10.191 -12.811 -3.230 1.00 0.00 C ATOM 1453 O LEU A 123 10.838 -13.722 -2.714 1.00 0.00 O ATOM 1454 CB LEU A 123 9.437 -10.851 -1.862 1.00 0.00 C ATOM 1455 CG LEU A 123 9.940 -10.733 -0.423 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.057 -9.705 -0.332 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.796 -10.367 0.512 1.00 0.00 C ATOM 0 H LEU A 123 9.795 -9.741 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 123 11.464 -11.297 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.080 -9.874 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.580 -11.525 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 123 10.339 -11.700 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.403 -9.634 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.885 -10.010 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.685 -8.734 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.171 -10.287 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.368 -9.412 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.028 -11.139 0.467 1.00 0.00 H new ATOM 1469 N GLN A 124 9.224 -13.023 -4.118 1.00 0.00 N ATOM 1470 CA GLN A 124 8.861 -14.369 -4.545 1.00 0.00 C ATOM 1471 C GLN A 124 10.053 -15.078 -5.179 1.00 0.00 C ATOM 1472 O GLN A 124 10.370 -16.215 -4.832 1.00 0.00 O ATOM 1473 CB GLN A 124 7.699 -14.317 -5.538 1.00 0.00 C ATOM 1474 CG GLN A 124 6.331 -14.298 -4.875 1.00 0.00 C ATOM 1475 CD GLN A 124 5.197 -14.380 -5.879 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.210 -15.219 -6.779 1.00 0.00 O ATOM 1477 NE2 GLN A 124 4.209 -13.505 -5.728 1.00 0.00 N ATOM 0 H GLN A 124 8.679 -12.280 -4.555 1.00 0.00 H new ATOM 0 HA GLN A 124 8.552 -14.931 -3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.804 -13.429 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 124 7.760 -15.180 -6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.257 -15.134 -4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.228 -13.385 -4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.240 -12.827 -4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.419 -13.511 -6.373 1.00 0.00 H new ATOM 1486 N HIS A 125 10.710 -14.396 -6.112 1.00 0.00 N ATOM 1487 CA HIS A 125 11.867 -14.959 -6.797 1.00 0.00 C ATOM 1488 C HIS A 125 13.037 -15.133 -5.834 1.00 0.00 C ATOM 1489 O HIS A 125 13.702 -16.169 -5.830 1.00 0.00 O ATOM 1490 CB HIS A 125 12.280 -14.061 -7.965 1.00 0.00 C ATOM 1491 CG HIS A 125 11.685 -14.474 -9.276 1.00 0.00 C ATOM 1492 ND1 HIS A 125 10.326 -14.560 -9.492 1.00 0.00 N ATOM 1493 CD2 HIS A 125 12.273 -14.828 -10.444 1.00 0.00 C ATOM 1494 CE1 HIS A 125 10.103 -14.949 -10.735 1.00 0.00 C ATOM 1495 NE2 HIS A 125 11.268 -15.117 -11.333 1.00 0.00 N ATOM 0 H HIS A 125 10.461 -13.453 -6.411 1.00 0.00 H new ATOM 0 HA HIS A 125 11.589 -15.940 -7.183 1.00 0.00 H new ATOM 0 HB2 HIS A 125 11.982 -13.035 -7.747 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.367 -14.066 -8.050 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.334 -14.874 -10.639 1.00 0.00 H new ATOM 0 HE1 HIS A 125 9.133 -15.103 -11.185 1.00 0.00 H new ATOM 0 HE2 HIS A 125 11.400 -15.414 -12.300 1.00 0.00 H new ATOM 1504 N ALA A 126 13.282 -14.113 -5.017 1.00 0.00 N ATOM 1505 CA ALA A 126 14.371 -14.154 -4.049 1.00 0.00 C ATOM 1506 C ALA A 126 14.184 -15.304 -3.065 1.00 0.00 C ATOM 1507 O ALA A 126 15.149 -15.955 -2.665 1.00 0.00 O ATOM 1508 CB ALA A 126 14.465 -12.830 -3.305 1.00 0.00 C ATOM 0 H ALA A 126 12.741 -13.248 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 126 15.302 -14.320 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.282 -12.874 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.651 -12.025 -4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.529 -12.641 -2.780 1.00 0.00 H new ATOM 1514 N MET A 127 12.936 -15.548 -2.681 1.00 0.00 N ATOM 1515 CA MET A 127 12.619 -16.620 -1.744 1.00 0.00 C ATOM 1516 C MET A 127 13.076 -17.969 -2.289 1.00 0.00 C ATOM 1517 O MET A 127 13.714 -18.752 -1.584 1.00 0.00 O ATOM 1518 CB MET A 127 11.115 -16.655 -1.467 1.00 0.00 C ATOM 1519 CG MET A 127 10.756 -17.293 -0.136 1.00 0.00 C ATOM 1520 SD MET A 127 9.027 -17.796 -0.050 1.00 0.00 S ATOM 1521 CE MET A 127 8.203 -16.224 -0.290 1.00 0.00 C ATOM 0 H MET A 127 12.127 -15.018 -3.004 1.00 0.00 H new ATOM 0 HA MET A 127 13.150 -16.424 -0.812 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.726 -15.637 -1.489 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.619 -17.203 -2.268 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.392 -18.163 0.029 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.966 -16.588 0.669 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.198 -16.273 0.129 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.767 -15.437 0.211 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.142 -16.004 -1.356 1.00 0.00 H new ATOM 1531 N GLY A 128 12.743 -18.234 -3.547 1.00 0.00 N ATOM 1532 CA GLY A 128 13.125 -19.489 -4.168 1.00 0.00 C ATOM 1533 C GLY A 128 12.129 -19.943 -5.217 1.00 0.00 C ATOM 1534 O GLY A 128 11.797 -21.126 -5.296 1.00 0.00 O ATOM 0 H GLY A 128 12.215 -17.602 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.107 -19.379 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.216 -20.258 -3.401 1.00 0.00 H new ATOM 1538 N ILE A 129 11.652 -19.002 -6.026 1.00 0.00 N ATOM 1539 CA ILE A 129 10.689 -19.313 -7.075 1.00 0.00 C ATOM 1540 C ILE A 129 11.148 -18.763 -8.421 1.00 0.00 C ATOM 1541 O ILE A 129 11.944 -17.826 -8.481 1.00 0.00 O ATOM 1542 CB ILE A 129 9.295 -18.743 -6.748 1.00 0.00 C ATOM 1543 CG1 ILE A 129 8.879 -19.134 -5.328 1.00 0.00 C ATOM 1544 CG2 ILE A 129 8.270 -19.232 -7.760 1.00 0.00 C ATOM 1545 CD1 ILE A 129 7.837 -18.215 -4.729 1.00 0.00 C ATOM 0 H ILE A 129 11.917 -18.018 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 129 10.623 -20.400 -7.132 1.00 0.00 H new ATOM 0 HB ILE A 129 9.342 -17.656 -6.806 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.490 -20.152 -5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.761 -19.137 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.291 -18.820 -7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 129 8.561 -18.906 -8.759 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.223 -20.321 -7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.590 -18.552 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.230 -17.199 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 129 6.939 -18.231 -5.347 1.00 0.00 H new