USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 579 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 37 SER OG : rot 110:sc= 0.0464 USER MOD Set 1.2: A 39 LYS NZ :NH3+ -109:sc= -0.0183 (180deg=-0.149) USER MOD Single : A 1 ALA N :NH3+ -168:sc= 1.23 (180deg=1.22) USER MOD Single : A 3 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.64) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -130:sc= -0.625 USER MOD Single : A 10 THR OG1 : rot -10:sc= 0.986 USER MOD Single : A 16 MET CE :methyl -168:sc=-0.00679 (180deg=-0.185) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.596 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.63) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -7:sc= 0.0987 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -0.059 (180deg=-0.319) USER MOD Single : A 24 SER OG : rot -120:sc= -0.068 USER MOD Single : A 30 SER OG : rot -77:sc= 1.15 USER MOD Single : A 31 ASN : amide:sc= 1.09 K(o=1.1,f=-0.12) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -175:sc= 0 (180deg=-0.0282) USER MOD Single : A 41 SER OG : rot 170:sc= 0.0453 USER MOD Single : A 44 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.65) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0342 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.899 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0294) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= 0.311 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 64 GLN : amide:sc= -0.0692 K(o=-0.069,f=-0.82) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.838 -2.359 0.924 1.00 0.00 N ATOM 2 CA ALA A 1 11.555 -3.630 0.730 1.00 0.00 C ATOM 3 C ALA A 1 10.886 -4.739 1.518 1.00 0.00 C ATOM 4 O ALA A 1 10.315 -4.499 2.586 1.00 0.00 O ATOM 5 CB ALA A 1 13.008 -3.489 1.149 1.00 0.00 C ATOM 0 H1 ALA A 1 11.175 -1.661 0.231 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.818 -2.512 0.793 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.014 -2.005 1.886 1.00 0.00 H new ATOM 0 HA ALA A 1 11.523 -3.887 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.524 -4.438 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.487 -2.717 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.058 -3.211 2.202 1.00 0.00 H new ATOM 13 N GLY A 2 10.942 -5.943 0.994 1.00 0.00 N ATOM 14 CA GLY A 2 10.334 -7.061 1.660 1.00 0.00 C ATOM 15 C GLY A 2 9.981 -8.156 0.693 1.00 0.00 C ATOM 16 O GLY A 2 10.495 -8.186 -0.424 1.00 0.00 O ATOM 0 H GLY A 2 11.402 -6.167 0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.016 -7.449 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.435 -6.730 2.180 1.00 0.00 H new ATOM 20 N HIS A 3 9.107 -9.052 1.109 1.00 0.00 N ATOM 21 CA HIS A 3 8.682 -10.147 0.253 1.00 0.00 C ATOM 22 C HIS A 3 7.843 -9.615 -0.893 1.00 0.00 C ATOM 23 O HIS A 3 6.997 -8.755 -0.699 1.00 0.00 O ATOM 24 CB HIS A 3 7.875 -11.180 1.050 1.00 0.00 C ATOM 25 CG HIS A 3 8.685 -11.963 2.038 1.00 0.00 C ATOM 26 ND1 HIS A 3 8.161 -12.472 3.206 1.00 0.00 N ATOM 27 CD2 HIS A 3 9.983 -12.350 2.014 1.00 0.00 C ATOM 28 CE1 HIS A 3 9.101 -13.136 3.855 1.00 0.00 C ATOM 29 NE2 HIS A 3 10.212 -13.076 3.155 1.00 0.00 N ATOM 0 H HIS A 3 8.677 -9.045 2.034 1.00 0.00 H new ATOM 0 HA HIS A 3 9.572 -10.634 -0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.073 -10.667 1.580 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.404 -11.873 0.353 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.703 -12.128 1.241 1.00 0.00 H new ATOM 0 HE1 HIS A 3 8.977 -13.642 4.801 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.101 -13.501 3.418 1.00 0.00 H new ATOM 37 N MET A 4 8.085 -10.120 -2.080 1.00 0.00 N ATOM 38 CA MET A 4 7.339 -9.690 -3.251 1.00 0.00 C ATOM 39 C MET A 4 5.903 -10.185 -3.217 1.00 0.00 C ATOM 40 O MET A 4 5.015 -9.572 -3.804 1.00 0.00 O ATOM 41 CB MET A 4 8.036 -10.110 -4.540 1.00 0.00 C ATOM 42 CG MET A 4 9.337 -9.369 -4.782 1.00 0.00 C ATOM 43 SD MET A 4 10.154 -9.858 -6.306 1.00 0.00 S ATOM 44 CE MET A 4 11.560 -8.752 -6.285 1.00 0.00 C ATOM 0 H MET A 4 8.793 -10.831 -2.266 1.00 0.00 H new ATOM 0 HA MET A 4 7.308 -8.601 -3.230 1.00 0.00 H new ATOM 0 HB2 MET A 4 8.236 -11.181 -4.506 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.365 -9.938 -5.382 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.138 -8.298 -4.811 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.010 -9.546 -3.943 1.00 0.00 H new ATOM 0 HE1 MET A 4 12.174 -8.927 -7.169 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.211 -7.719 -6.284 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.153 -8.935 -5.389 1.00 0.00 H new ATOM 54 N GLN A 5 5.680 -11.310 -2.554 1.00 0.00 N ATOM 55 CA GLN A 5 4.338 -11.866 -2.451 1.00 0.00 C ATOM 56 C GLN A 5 3.434 -10.952 -1.620 1.00 0.00 C ATOM 57 O GLN A 5 2.265 -10.748 -1.952 1.00 0.00 O ATOM 58 CB GLN A 5 4.383 -13.270 -1.852 1.00 0.00 C ATOM 59 CG GLN A 5 5.165 -14.253 -2.705 1.00 0.00 C ATOM 60 CD GLN A 5 4.603 -14.386 -4.108 1.00 0.00 C ATOM 61 OE1 GLN A 5 3.395 -14.278 -4.321 1.00 0.00 O ATOM 62 NE2 GLN A 5 5.475 -14.604 -5.072 1.00 0.00 N ATOM 0 H GLN A 5 6.404 -11.852 -2.083 1.00 0.00 H new ATOM 0 HA GLN A 5 3.919 -11.935 -3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.831 -13.222 -0.860 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.365 -13.638 -1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.205 -13.930 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.161 -15.230 -2.222 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.468 -14.687 -4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.157 -14.689 -6.037 1.00 0.00 H new ATOM 71 N VAL A 6 3.984 -10.411 -0.540 1.00 0.00 N ATOM 72 CA VAL A 6 3.269 -9.455 0.295 1.00 0.00 C ATOM 73 C VAL A 6 4.161 -8.252 0.531 1.00 0.00 C ATOM 74 O VAL A 6 5.139 -8.335 1.281 1.00 0.00 O ATOM 75 CB VAL A 6 2.866 -10.056 1.669 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.108 -9.030 2.502 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.035 -11.317 1.493 1.00 0.00 C ATOM 0 H VAL A 6 4.930 -10.620 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 6 2.354 -9.176 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 6 3.780 -10.325 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.834 -9.470 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.741 -8.159 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.206 -8.726 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.767 -11.716 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.128 -11.080 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.613 -12.060 0.944 1.00 0.00 H new ATOM 87 N ALA A 7 3.826 -7.140 -0.078 1.00 0.00 N ATOM 88 CA ALA A 7 4.651 -5.958 0.029 1.00 0.00 C ATOM 89 C ALA A 7 3.954 -4.869 0.807 1.00 0.00 C ATOM 90 O ALA A 7 2.730 -4.704 0.715 1.00 0.00 O ATOM 91 CB ALA A 7 5.041 -5.457 -1.353 1.00 0.00 C ATOM 0 H ALA A 7 2.990 -7.027 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 7 5.555 -6.230 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.662 -4.567 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.599 -6.233 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.142 -5.212 -1.918 1.00 0.00 H new ATOM 97 N THR A 8 4.726 -4.134 1.584 1.00 0.00 N ATOM 98 CA THR A 8 4.199 -3.031 2.338 1.00 0.00 C ATOM 99 C THR A 8 4.704 -1.743 1.734 1.00 0.00 C ATOM 100 O THR A 8 5.864 -1.659 1.314 1.00 0.00 O ATOM 101 CB THR A 8 4.638 -3.091 3.823 1.00 0.00 C ATOM 102 OG1 THR A 8 6.071 -2.959 3.924 1.00 0.00 O ATOM 103 CG2 THR A 8 4.224 -4.412 4.451 1.00 0.00 C ATOM 0 H THR A 8 5.727 -4.289 1.705 1.00 0.00 H new ATOM 0 HA THR A 8 3.111 -3.082 2.301 1.00 0.00 H new ATOM 0 HB THR A 8 4.152 -2.270 4.351 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.337 -2.996 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.541 -4.435 5.494 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.140 -4.516 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.693 -5.234 3.911 1.00 0.00 H new ATOM 111 N SER A 9 3.864 -0.754 1.681 1.00 0.00 N ATOM 112 CA SER A 9 4.255 0.510 1.133 1.00 0.00 C ATOM 113 C SER A 9 3.475 1.618 1.785 1.00 0.00 C ATOM 114 O SER A 9 2.299 1.453 2.117 1.00 0.00 O ATOM 115 CB SER A 9 4.031 0.523 -0.384 1.00 0.00 C ATOM 116 OG SER A 9 4.452 1.747 -0.961 1.00 0.00 O ATOM 0 H SER A 9 2.900 -0.798 2.012 1.00 0.00 H new ATOM 0 HA SER A 9 5.316 0.665 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.577 -0.302 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.974 0.363 -0.598 1.00 0.00 H new ATOM 0 HG SER A 9 3.740 2.101 -1.534 1.00 0.00 H new ATOM 122 N THR A 10 4.127 2.725 1.997 1.00 0.00 N ATOM 123 CA THR A 10 3.483 3.874 2.539 1.00 0.00 C ATOM 124 C THR A 10 3.498 4.965 1.501 1.00 0.00 C ATOM 125 O THR A 10 4.549 5.341 1.009 1.00 0.00 O ATOM 126 CB THR A 10 4.181 4.367 3.834 1.00 0.00 C ATOM 127 OG1 THR A 10 5.557 4.664 3.573 1.00 0.00 O ATOM 128 CG2 THR A 10 4.101 3.315 4.926 1.00 0.00 C ATOM 0 H THR A 10 5.119 2.851 1.797 1.00 0.00 H new ATOM 0 HA THR A 10 2.459 3.610 2.803 1.00 0.00 H new ATOM 0 HB THR A 10 3.667 5.268 4.168 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.798 4.339 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.597 3.684 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.056 3.102 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.593 2.402 4.589 1.00 0.00 H new ATOM 136 N VAL A 11 2.356 5.462 1.147 1.00 0.00 N ATOM 137 CA VAL A 11 2.311 6.494 0.159 1.00 0.00 C ATOM 138 C VAL A 11 1.983 7.819 0.800 1.00 0.00 C ATOM 139 O VAL A 11 1.001 7.948 1.531 1.00 0.00 O ATOM 140 CB VAL A 11 1.320 6.174 -0.993 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.754 4.918 -1.737 1.00 0.00 C ATOM 142 CG2 VAL A 11 -0.109 6.024 -0.482 1.00 0.00 C ATOM 0 H VAL A 11 1.452 5.175 1.521 1.00 0.00 H new ATOM 0 HA VAL A 11 3.302 6.553 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 11 1.336 7.017 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.048 4.709 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.748 5.069 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.777 4.075 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.773 5.801 -1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.153 5.212 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.425 6.953 -0.006 1.00 0.00 H new ATOM 152 N ARG A 12 2.829 8.788 0.555 1.00 0.00 N ATOM 153 CA ARG A 12 2.652 10.102 1.109 1.00 0.00 C ATOM 154 C ARG A 12 1.588 10.826 0.313 1.00 0.00 C ATOM 155 O ARG A 12 1.585 10.769 -0.916 1.00 0.00 O ATOM 156 CB ARG A 12 3.995 10.849 1.110 1.00 0.00 C ATOM 157 CG ARG A 12 4.458 11.346 -0.248 1.00 0.00 C ATOM 158 CD ARG A 12 5.964 11.559 -0.271 1.00 0.00 C ATOM 159 NE ARG A 12 6.693 10.282 -0.399 1.00 0.00 N ATOM 160 CZ ARG A 12 7.984 10.107 -0.088 1.00 0.00 C ATOM 161 NH1 ARG A 12 8.653 11.056 0.545 1.00 0.00 N ATOM 162 NH2 ARG A 12 8.596 8.965 -0.388 1.00 0.00 N ATOM 0 H ARG A 12 3.657 8.686 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 12 2.318 10.045 2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.918 11.702 1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.760 10.188 1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.178 10.626 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.952 12.281 -0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.227 12.213 -1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.274 12.065 0.643 1.00 0.00 H new ATOM 0 HE ARG A 12 6.177 9.475 -0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.186 11.927 0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.636 10.917 0.779 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.082 8.219 -0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.579 8.835 -0.150 1.00 0.00 H new ATOM 176 N ILE A 13 0.684 11.485 0.997 1.00 0.00 N ATOM 177 CA ILE A 13 -0.438 12.109 0.331 1.00 0.00 C ATOM 178 C ILE A 13 -0.430 13.614 0.514 1.00 0.00 C ATOM 179 O ILE A 13 -0.324 14.116 1.634 1.00 0.00 O ATOM 180 CB ILE A 13 -1.779 11.529 0.842 1.00 0.00 C ATOM 181 CG1 ILE A 13 -1.835 10.016 0.589 1.00 0.00 C ATOM 182 CG2 ILE A 13 -2.952 12.223 0.163 1.00 0.00 C ATOM 183 CD1 ILE A 13 -3.023 9.330 1.229 1.00 0.00 C ATOM 0 H ILE A 13 0.701 11.604 2.010 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.338 11.891 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.847 11.706 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.861 9.838 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.919 9.561 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.887 11.803 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.921 13.290 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.889 12.073 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.992 8.264 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.989 9.475 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.945 9.757 0.835 1.00 0.00 H new ATOM 195 N LEU A 14 -0.516 14.321 -0.591 1.00 0.00 N ATOM 196 CA LEU A 14 -0.569 15.760 -0.581 1.00 0.00 C ATOM 197 C LEU A 14 -1.924 16.214 -1.119 1.00 0.00 C ATOM 198 O LEU A 14 -2.281 15.916 -2.266 1.00 0.00 O ATOM 199 CB LEU A 14 0.585 16.332 -1.429 1.00 0.00 C ATOM 200 CG LEU A 14 0.829 17.849 -1.337 1.00 0.00 C ATOM 201 CD1 LEU A 14 2.238 18.177 -1.790 1.00 0.00 C ATOM 202 CD2 LEU A 14 -0.177 18.619 -2.183 1.00 0.00 C ATOM 0 H LEU A 14 -0.551 13.909 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.454 16.131 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.504 15.822 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.396 16.081 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 14 0.703 18.149 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.401 19.253 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.955 17.660 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.372 17.855 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.019 19.688 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.085 18.314 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.186 18.407 -1.831 1.00 0.00 H new ATOM 214 N GLY A 15 -2.672 16.921 -0.294 1.00 0.00 N ATOM 215 CA GLY A 15 -3.971 17.397 -0.701 1.00 0.00 C ATOM 216 C GLY A 15 -4.503 18.452 0.235 1.00 0.00 C ATOM 217 O GLY A 15 -3.890 18.735 1.268 1.00 0.00 O ATOM 0 H GLY A 15 -2.401 17.175 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.908 17.805 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.669 16.560 -0.739 1.00 0.00 H new ATOM 221 N MET A 16 -5.633 19.051 -0.128 1.00 0.00 N ATOM 222 CA MET A 16 -6.252 20.091 0.692 1.00 0.00 C ATOM 223 C MET A 16 -6.683 19.514 2.032 1.00 0.00 C ATOM 224 O MET A 16 -6.444 20.099 3.086 1.00 0.00 O ATOM 225 CB MET A 16 -7.461 20.667 -0.037 1.00 0.00 C ATOM 226 CG MET A 16 -7.106 21.453 -1.286 1.00 0.00 C ATOM 227 SD MET A 16 -8.539 22.248 -2.039 1.00 0.00 S ATOM 228 CE MET A 16 -9.441 20.819 -2.645 1.00 0.00 C ATOM 0 H MET A 16 -6.141 18.835 -0.986 1.00 0.00 H new ATOM 0 HA MET A 16 -5.526 20.884 0.868 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.131 19.852 -0.310 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.010 21.316 0.646 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.365 22.212 -1.034 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.643 20.784 -2.012 1.00 0.00 H new ATOM 0 HE1 MET A 16 -10.235 21.147 -3.316 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.760 20.161 -3.184 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.877 20.280 -1.804 1.00 0.00 H new ATOM 238 N THR A 17 -7.300 18.355 1.973 1.00 0.00 N ATOM 239 CA THR A 17 -7.712 17.627 3.150 1.00 0.00 C ATOM 240 C THR A 17 -7.333 16.166 2.978 1.00 0.00 C ATOM 241 O THR A 17 -7.652 15.551 1.952 1.00 0.00 O ATOM 242 CB THR A 17 -9.236 17.750 3.397 1.00 0.00 C ATOM 243 OG1 THR A 17 -9.956 17.419 2.203 1.00 0.00 O ATOM 244 CG2 THR A 17 -9.609 19.158 3.845 1.00 0.00 C ATOM 0 H THR A 17 -7.532 17.887 1.097 1.00 0.00 H new ATOM 0 HA THR A 17 -7.206 18.053 4.016 1.00 0.00 H new ATOM 0 HB THR A 17 -9.505 17.053 4.191 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.919 17.498 2.369 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.685 19.214 4.011 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.086 19.395 4.772 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.323 19.873 3.074 1.00 0.00 H new ATOM 252 N CYS A 18 -6.656 15.616 3.964 1.00 0.00 N ATOM 253 CA CYS A 18 -6.169 14.254 3.884 1.00 0.00 C ATOM 254 C CYS A 18 -7.309 13.247 3.764 1.00 0.00 C ATOM 255 O CYS A 18 -7.318 12.421 2.858 1.00 0.00 O ATOM 256 CB CYS A 18 -5.294 13.931 5.101 1.00 0.00 C ATOM 257 SG CYS A 18 -4.580 12.267 5.097 1.00 0.00 S ATOM 0 H CYS A 18 -6.429 16.094 4.836 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.567 14.172 2.979 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.485 14.659 5.153 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.892 14.053 6.004 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.859 12.101 6.166 1.00 0.00 H new ATOM 263 N GLN A 19 -8.296 13.362 4.633 1.00 0.00 N ATOM 264 CA GLN A 19 -9.376 12.385 4.681 1.00 0.00 C ATOM 265 C GLN A 19 -10.187 12.338 3.387 1.00 0.00 C ATOM 266 O GLN A 19 -10.538 11.259 2.917 1.00 0.00 O ATOM 267 CB GLN A 19 -10.293 12.650 5.875 1.00 0.00 C ATOM 268 CG GLN A 19 -9.623 12.420 7.222 1.00 0.00 C ATOM 269 CD GLN A 19 -9.149 10.989 7.406 1.00 0.00 C ATOM 270 OE1 GLN A 19 -9.748 10.050 6.884 1.00 0.00 O ATOM 271 NE2 GLN A 19 -8.075 10.815 8.150 1.00 0.00 N ATOM 0 H GLN A 19 -8.375 14.117 5.314 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.908 11.408 4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.649 13.679 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.169 12.005 5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.773 13.095 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.323 12.671 8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.607 11.620 8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.712 9.875 8.310 1.00 0.00 H new ATOM 280 N SER A 20 -10.465 13.493 2.807 1.00 0.00 N ATOM 281 CA SER A 20 -11.264 13.546 1.589 1.00 0.00 C ATOM 282 C SER A 20 -10.570 12.819 0.421 1.00 0.00 C ATOM 283 O SER A 20 -11.194 12.007 -0.274 1.00 0.00 O ATOM 284 CB SER A 20 -11.580 14.997 1.217 1.00 0.00 C ATOM 285 OG SER A 20 -12.386 15.064 0.055 1.00 0.00 O ATOM 0 H SER A 20 -10.154 14.400 3.154 1.00 0.00 H new ATOM 0 HA SER A 20 -12.202 13.026 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.092 15.485 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.651 15.543 1.051 1.00 0.00 H new ATOM 0 HG SER A 20 -12.574 16.002 -0.159 1.00 0.00 H new ATOM 291 N CYS A 21 -9.278 13.092 0.216 1.00 0.00 N ATOM 292 CA CYS A 21 -8.536 12.449 -0.856 1.00 0.00 C ATOM 293 C CYS A 21 -8.300 10.974 -0.548 1.00 0.00 C ATOM 294 O CYS A 21 -8.283 10.136 -1.454 1.00 0.00 O ATOM 295 CB CYS A 21 -7.218 13.173 -1.107 1.00 0.00 C ATOM 296 SG CYS A 21 -6.132 13.240 0.328 1.00 0.00 S ATOM 0 H CYS A 21 -8.734 13.749 0.776 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.133 12.508 -1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.693 12.677 -1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.431 14.190 -1.436 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.757 12.773 1.368 1.00 0.00 H new ATOM 302 N VAL A 22 -8.131 10.657 0.741 1.00 0.00 N ATOM 303 CA VAL A 22 -7.973 9.276 1.165 1.00 0.00 C ATOM 304 C VAL A 22 -9.209 8.493 0.818 1.00 0.00 C ATOM 305 O VAL A 22 -9.123 7.416 0.274 1.00 0.00 O ATOM 306 CB VAL A 22 -7.690 9.151 2.686 1.00 0.00 C ATOM 307 CG1 VAL A 22 -7.800 7.701 3.137 1.00 0.00 C ATOM 308 CG2 VAL A 22 -6.303 9.677 3.007 1.00 0.00 C ATOM 0 H VAL A 22 -8.101 11.339 1.499 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.109 8.873 0.637 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.434 9.744 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.598 7.636 4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.806 7.332 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.075 7.095 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.117 9.584 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.559 9.100 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.235 10.726 2.717 1.00 0.00 H new ATOM 318 N LYS A 23 -10.359 9.063 1.111 1.00 0.00 N ATOM 319 CA LYS A 23 -11.625 8.412 0.806 1.00 0.00 C ATOM 320 C LYS A 23 -11.820 8.248 -0.692 1.00 0.00 C ATOM 321 O LYS A 23 -12.362 7.238 -1.150 1.00 0.00 O ATOM 322 CB LYS A 23 -12.804 9.141 1.441 1.00 0.00 C ATOM 323 CG LYS A 23 -12.846 9.000 2.951 1.00 0.00 C ATOM 324 CD LYS A 23 -14.054 9.693 3.545 1.00 0.00 C ATOM 325 CE LYS A 23 -14.105 9.507 5.050 1.00 0.00 C ATOM 326 NZ LYS A 23 -14.240 8.070 5.427 1.00 0.00 N ATOM 0 H LYS A 23 -10.448 9.975 1.560 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.586 7.415 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.752 10.198 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.732 8.755 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.865 7.943 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.937 9.421 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.020 10.756 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.963 9.295 3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.199 9.917 5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.945 10.070 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.524 7.998 6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.962 7.620 4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.328 7.588 5.291 1.00 0.00 H new ATOM 340 N SER A 24 -11.362 9.236 -1.449 1.00 0.00 N ATOM 341 CA SER A 24 -11.490 9.218 -2.895 1.00 0.00 C ATOM 342 C SER A 24 -10.784 7.983 -3.477 1.00 0.00 C ATOM 343 O SER A 24 -11.365 7.234 -4.275 1.00 0.00 O ATOM 344 CB SER A 24 -10.868 10.498 -3.477 1.00 0.00 C ATOM 345 OG SER A 24 -10.992 10.547 -4.886 1.00 0.00 O ATOM 0 H SER A 24 -10.896 10.065 -1.080 1.00 0.00 H new ATOM 0 HA SER A 24 -12.546 9.172 -3.160 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.353 11.370 -3.039 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.814 10.548 -3.203 1.00 0.00 H new ATOM 0 HG SER A 24 -10.101 10.592 -5.291 1.00 0.00 H new ATOM 351 N ILE A 25 -9.548 7.757 -3.047 1.00 0.00 N ATOM 352 CA ILE A 25 -8.780 6.610 -3.505 1.00 0.00 C ATOM 353 C ILE A 25 -9.210 5.323 -2.786 1.00 0.00 C ATOM 354 O ILE A 25 -9.140 4.233 -3.354 1.00 0.00 O ATOM 355 CB ILE A 25 -7.246 6.834 -3.342 1.00 0.00 C ATOM 356 CG1 ILE A 25 -6.463 5.679 -3.975 1.00 0.00 C ATOM 357 CG2 ILE A 25 -6.863 7.008 -1.877 1.00 0.00 C ATOM 358 CD1 ILE A 25 -4.967 5.899 -4.007 1.00 0.00 C ATOM 0 H ILE A 25 -9.058 8.355 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.991 6.497 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.985 7.755 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.674 4.764 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.820 5.526 -4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.787 7.162 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.385 7.872 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.143 6.115 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.483 5.039 -4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.743 6.796 -4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.595 6.021 -2.990 1.00 0.00 H new ATOM 370 N GLU A 26 -9.691 5.473 -1.553 1.00 0.00 N ATOM 371 CA GLU A 26 -10.078 4.341 -0.713 1.00 0.00 C ATOM 372 C GLU A 26 -11.160 3.515 -1.370 1.00 0.00 C ATOM 373 O GLU A 26 -11.067 2.294 -1.418 1.00 0.00 O ATOM 374 CB GLU A 26 -10.577 4.841 0.643 1.00 0.00 C ATOM 375 CG GLU A 26 -10.977 3.740 1.604 1.00 0.00 C ATOM 376 CD GLU A 26 -11.491 4.282 2.917 1.00 0.00 C ATOM 377 OE1 GLU A 26 -10.671 4.713 3.749 1.00 0.00 O ATOM 378 OE2 GLU A 26 -12.721 4.270 3.125 1.00 0.00 O ATOM 0 H GLU A 26 -9.823 6.382 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.198 3.713 -0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.795 5.444 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.433 5.497 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.747 3.121 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.119 3.095 1.791 1.00 0.00 H new ATOM 385 N ASP A 27 -12.176 4.176 -1.893 1.00 0.00 N ATOM 386 CA ASP A 27 -13.263 3.468 -2.554 1.00 0.00 C ATOM 387 C ASP A 27 -12.747 2.689 -3.748 1.00 0.00 C ATOM 388 O ASP A 27 -13.081 1.519 -3.933 1.00 0.00 O ATOM 389 CB ASP A 27 -14.356 4.432 -3.011 1.00 0.00 C ATOM 390 CG ASP A 27 -15.494 3.714 -3.722 1.00 0.00 C ATOM 391 OD1 ASP A 27 -16.325 3.073 -3.043 1.00 0.00 O ATOM 392 OD2 ASP A 27 -15.563 3.786 -4.967 1.00 0.00 O ATOM 0 H ASP A 27 -12.274 5.191 -1.875 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.689 2.775 -1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.750 4.968 -2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.925 5.177 -3.679 1.00 0.00 H new ATOM 397 N ARG A 28 -11.910 3.327 -4.540 1.00 0.00 N ATOM 398 CA ARG A 28 -11.407 2.705 -5.745 1.00 0.00 C ATOM 399 C ARG A 28 -10.492 1.520 -5.425 1.00 0.00 C ATOM 400 O ARG A 28 -10.641 0.440 -5.996 1.00 0.00 O ATOM 401 CB ARG A 28 -10.646 3.723 -6.591 1.00 0.00 C ATOM 402 CG ARG A 28 -11.463 4.950 -6.980 1.00 0.00 C ATOM 403 CD ARG A 28 -12.804 4.577 -7.592 1.00 0.00 C ATOM 404 NE ARG A 28 -13.506 5.753 -8.106 1.00 0.00 N ATOM 405 CZ ARG A 28 -14.833 5.893 -8.148 1.00 0.00 C ATOM 406 NH1 ARG A 28 -15.621 5.006 -7.554 1.00 0.00 N ATOM 407 NH2 ARG A 28 -15.366 6.948 -8.744 1.00 0.00 N ATOM 0 H ARG A 28 -11.565 4.272 -4.371 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.266 2.335 -6.305 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.763 4.048 -6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.293 3.233 -7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.628 5.569 -6.098 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.896 5.552 -7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.650 3.862 -8.400 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.422 4.082 -6.843 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.939 6.524 -8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.214 4.211 -7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.634 5.119 -7.590 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.763 7.652 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.380 7.057 -8.777 1.00 0.00 H new ATOM 421 N ILE A 29 -9.579 1.714 -4.478 1.00 0.00 N ATOM 422 CA ILE A 29 -8.619 0.673 -4.132 1.00 0.00 C ATOM 423 C ILE A 29 -9.273 -0.478 -3.363 1.00 0.00 C ATOM 424 O ILE A 29 -8.893 -1.627 -3.528 1.00 0.00 O ATOM 425 CB ILE A 29 -7.391 1.233 -3.348 1.00 0.00 C ATOM 426 CG1 ILE A 29 -6.277 0.182 -3.252 1.00 0.00 C ATOM 427 CG2 ILE A 29 -7.792 1.705 -1.961 1.00 0.00 C ATOM 428 CD1 ILE A 29 -5.702 -0.230 -4.594 1.00 0.00 C ATOM 0 H ILE A 29 -9.484 2.576 -3.941 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.250 0.277 -5.078 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.011 2.091 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.474 0.575 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.668 -0.702 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.915 2.089 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.538 2.495 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.211 0.870 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.921 -0.975 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.492 -0.654 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.279 0.643 -5.092 1.00 0.00 H new ATOM 440 N SER A 30 -10.262 -0.165 -2.529 1.00 0.00 N ATOM 441 CA SER A 30 -10.958 -1.198 -1.776 1.00 0.00 C ATOM 442 C SER A 30 -11.736 -2.118 -2.710 1.00 0.00 C ATOM 443 O SER A 30 -11.830 -3.324 -2.473 1.00 0.00 O ATOM 444 CB SER A 30 -11.868 -0.588 -0.703 1.00 0.00 C ATOM 445 OG SER A 30 -12.841 0.267 -1.275 1.00 0.00 O ATOM 0 H SER A 30 -10.594 0.784 -2.361 1.00 0.00 H new ATOM 0 HA SER A 30 -10.210 -1.801 -1.261 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.363 -1.385 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.265 -0.028 0.012 1.00 0.00 H new ATOM 0 HG SER A 30 -12.424 1.119 -1.520 1.00 0.00 H new ATOM 451 N ASN A 31 -12.298 -1.547 -3.773 1.00 0.00 N ATOM 452 CA ASN A 31 -12.999 -2.342 -4.774 1.00 0.00 C ATOM 453 C ASN A 31 -12.030 -3.180 -5.590 1.00 0.00 C ATOM 454 O ASN A 31 -12.393 -4.240 -6.104 1.00 0.00 O ATOM 455 CB ASN A 31 -13.878 -1.474 -5.677 1.00 0.00 C ATOM 456 CG ASN A 31 -15.203 -1.128 -5.021 1.00 0.00 C ATOM 457 OD1 ASN A 31 -16.163 -1.897 -5.102 1.00 0.00 O ATOM 458 ND2 ASN A 31 -15.269 0.013 -4.367 1.00 0.00 N ATOM 0 H ASN A 31 -12.281 -0.545 -3.961 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.660 -3.023 -4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.346 -0.556 -5.926 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.064 -1.999 -6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.136 0.287 -3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.453 0.623 -4.322 1.00 0.00 H new ATOM 465 N LEU A 32 -10.801 -2.711 -5.709 1.00 0.00 N ATOM 466 CA LEU A 32 -9.766 -3.464 -6.397 1.00 0.00 C ATOM 467 C LEU A 32 -9.236 -4.570 -5.497 1.00 0.00 C ATOM 468 O LEU A 32 -8.819 -4.320 -4.367 1.00 0.00 O ATOM 469 CB LEU A 32 -8.616 -2.545 -6.840 1.00 0.00 C ATOM 470 CG LEU A 32 -8.655 -2.057 -8.297 1.00 0.00 C ATOM 471 CD1 LEU A 32 -8.501 -3.226 -9.257 1.00 0.00 C ATOM 472 CD2 LEU A 32 -9.942 -1.295 -8.586 1.00 0.00 C ATOM 0 H LEU A 32 -10.494 -1.812 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.207 -3.910 -7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.605 -1.672 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.676 -3.073 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.818 -1.374 -8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.531 -2.860 -10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.547 -3.722 -9.076 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.314 -3.935 -9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.942 -0.962 -9.624 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.798 -1.948 -8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.008 -0.429 -7.927 1.00 0.00 H new ATOM 484 N LYS A 33 -9.272 -5.788 -5.987 1.00 0.00 N ATOM 485 CA LYS A 33 -8.780 -6.915 -5.227 1.00 0.00 C ATOM 486 C LYS A 33 -7.269 -7.012 -5.346 1.00 0.00 C ATOM 487 O LYS A 33 -6.691 -6.580 -6.339 1.00 0.00 O ATOM 488 CB LYS A 33 -9.437 -8.218 -5.689 1.00 0.00 C ATOM 489 CG LYS A 33 -10.956 -8.243 -5.544 1.00 0.00 C ATOM 490 CD LYS A 33 -11.379 -8.116 -4.086 1.00 0.00 C ATOM 491 CE LYS A 33 -12.888 -8.221 -3.933 1.00 0.00 C ATOM 492 NZ LYS A 33 -13.315 -8.090 -2.514 1.00 0.00 N ATOM 0 H LYS A 33 -9.637 -6.024 -6.910 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.040 -6.758 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.181 -8.389 -6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.016 -9.046 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.391 -7.428 -6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.347 -9.172 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.897 -8.896 -3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.037 -7.160 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.368 -7.445 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.226 -9.180 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.350 -8.167 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.878 -8.846 -1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.015 -7.165 -2.145 1.00 0.00 H new ATOM 506 N GLY A 34 -6.635 -7.575 -4.337 1.00 0.00 N ATOM 507 CA GLY A 34 -5.195 -7.702 -4.353 1.00 0.00 C ATOM 508 C GLY A 34 -4.540 -6.900 -3.254 1.00 0.00 C ATOM 509 O GLY A 34 -3.315 -6.909 -3.111 1.00 0.00 O ATOM 0 H GLY A 34 -7.090 -7.948 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.923 -8.752 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.813 -7.371 -5.319 1.00 0.00 H new ATOM 513 N ILE A 35 -5.351 -6.207 -2.476 1.00 0.00 N ATOM 514 CA ILE A 35 -4.852 -5.440 -1.355 1.00 0.00 C ATOM 515 C ILE A 35 -5.253 -6.114 -0.040 1.00 0.00 C ATOM 516 O ILE A 35 -6.432 -6.400 0.201 1.00 0.00 O ATOM 517 CB ILE A 35 -5.343 -3.959 -1.390 1.00 0.00 C ATOM 518 CG1 ILE A 35 -4.789 -3.176 -0.190 1.00 0.00 C ATOM 519 CG2 ILE A 35 -6.867 -3.878 -1.439 1.00 0.00 C ATOM 520 CD1 ILE A 35 -5.047 -1.685 -0.256 1.00 0.00 C ATOM 0 H ILE A 35 -6.362 -6.161 -2.603 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.765 -5.415 -1.428 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.961 -3.502 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.232 -3.571 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.714 -3.346 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.175 -2.833 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.230 -4.383 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.286 -4.360 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.626 -1.203 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.580 -1.274 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.121 -1.503 -0.291 1.00 0.00 H new ATOM 532 N ILE A 36 -4.261 -6.405 0.781 1.00 0.00 N ATOM 533 CA ILE A 36 -4.477 -7.080 2.050 1.00 0.00 C ATOM 534 C ILE A 36 -5.160 -6.153 3.055 1.00 0.00 C ATOM 535 O ILE A 36 -6.168 -6.515 3.665 1.00 0.00 O ATOM 536 CB ILE A 36 -3.133 -7.578 2.647 1.00 0.00 C ATOM 537 CG1 ILE A 36 -2.433 -8.548 1.679 1.00 0.00 C ATOM 538 CG2 ILE A 36 -3.350 -8.239 4.006 1.00 0.00 C ATOM 539 CD1 ILE A 36 -3.242 -9.785 1.346 1.00 0.00 C ATOM 0 H ILE A 36 -3.285 -6.181 0.589 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.124 -7.936 1.857 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.488 -6.711 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.203 -8.018 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.482 -8.856 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.393 -8.579 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.793 -7.519 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.019 -9.092 3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.677 -10.415 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.450 -10.341 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.182 -9.490 0.879 1.00 0.00 H new ATOM 551 N SER A 37 -4.625 -4.951 3.201 1.00 0.00 N ATOM 552 CA SER A 37 -5.159 -4.002 4.157 1.00 0.00 C ATOM 553 C SER A 37 -4.730 -2.582 3.806 1.00 0.00 C ATOM 554 O SER A 37 -3.663 -2.375 3.212 1.00 0.00 O ATOM 555 CB SER A 37 -4.691 -4.367 5.577 1.00 0.00 C ATOM 556 OG SER A 37 -5.270 -3.512 6.549 1.00 0.00 O ATOM 0 H SER A 37 -3.823 -4.613 2.669 1.00 0.00 H new ATOM 0 HA SER A 37 -6.247 -4.047 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.958 -5.401 5.795 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.604 -4.300 5.632 1.00 0.00 H new ATOM 0 HG SER A 37 -5.921 -4.015 7.081 1.00 0.00 H new ATOM 562 N MET A 38 -5.567 -1.616 4.158 1.00 0.00 N ATOM 563 CA MET A 38 -5.274 -0.212 3.918 1.00 0.00 C ATOM 564 C MET A 38 -5.419 0.582 5.209 1.00 0.00 C ATOM 565 O MET A 38 -6.497 0.616 5.805 1.00 0.00 O ATOM 566 CB MET A 38 -6.224 0.363 2.861 1.00 0.00 C ATOM 567 CG MET A 38 -5.984 1.837 2.557 1.00 0.00 C ATOM 568 SD MET A 38 -7.148 2.502 1.352 1.00 0.00 S ATOM 569 CE MET A 38 -6.569 4.193 1.217 1.00 0.00 C ATOM 0 H MET A 38 -6.463 -1.783 4.615 1.00 0.00 H new ATOM 0 HA MET A 38 -4.249 -0.135 3.556 1.00 0.00 H new ATOM 0 HB2 MET A 38 -6.118 -0.210 1.940 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.252 0.234 3.201 1.00 0.00 H new ATOM 0 HG2 MET A 38 -6.058 2.410 3.481 1.00 0.00 H new ATOM 0 HG3 MET A 38 -4.968 1.965 2.183 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.244 4.758 0.574 1.00 0.00 H new ATOM 0 HE2 MET A 38 -6.544 4.649 2.207 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.567 4.201 0.788 1.00 0.00 H new ATOM 579 N LYS A 39 -4.347 1.206 5.642 1.00 0.00 N ATOM 580 CA LYS A 39 -4.370 2.030 6.839 1.00 0.00 C ATOM 581 C LYS A 39 -3.731 3.375 6.563 1.00 0.00 C ATOM 582 O LYS A 39 -2.807 3.474 5.772 1.00 0.00 O ATOM 583 CB LYS A 39 -3.690 1.308 8.004 1.00 0.00 C ATOM 584 CG LYS A 39 -4.497 0.125 8.511 1.00 0.00 C ATOM 585 CD LYS A 39 -3.788 -0.623 9.620 1.00 0.00 C ATOM 586 CE LYS A 39 -4.691 -1.694 10.213 1.00 0.00 C ATOM 587 NZ LYS A 39 -5.137 -2.681 9.197 1.00 0.00 N ATOM 0 H LYS A 39 -3.438 1.160 5.181 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.406 2.207 7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.706 0.962 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.533 2.012 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.463 0.476 8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.695 -0.558 7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.879 -1.082 9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.485 0.076 10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.160 -2.212 11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.563 -1.221 10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.149 -2.543 9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.592 -2.548 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.982 -3.644 9.557 1.00 0.00 H new ATOM 601 N VAL A 40 -4.227 4.408 7.202 1.00 0.00 N ATOM 602 CA VAL A 40 -3.746 5.754 6.941 1.00 0.00 C ATOM 603 C VAL A 40 -3.255 6.429 8.208 1.00 0.00 C ATOM 604 O VAL A 40 -3.951 6.443 9.225 1.00 0.00 O ATOM 605 CB VAL A 40 -4.849 6.626 6.293 1.00 0.00 C ATOM 606 CG1 VAL A 40 -4.345 8.040 6.028 1.00 0.00 C ATOM 607 CG2 VAL A 40 -5.348 5.983 5.009 1.00 0.00 C ATOM 0 H VAL A 40 -4.962 4.348 7.906 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.910 5.659 6.248 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.682 6.694 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.140 8.630 5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.044 8.501 6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.490 8.001 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.123 6.609 4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.520 5.880 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.760 4.998 5.231 1.00 0.00 H new ATOM 617 N SER A 41 -2.057 6.980 8.144 1.00 0.00 N ATOM 618 CA SER A 41 -1.495 7.699 9.256 1.00 0.00 C ATOM 619 C SER A 41 -1.513 9.190 8.958 1.00 0.00 C ATOM 620 O SER A 41 -0.725 9.686 8.149 1.00 0.00 O ATOM 621 CB SER A 41 -0.062 7.229 9.529 1.00 0.00 C ATOM 622 OG SER A 41 0.531 7.972 10.585 1.00 0.00 O ATOM 0 H SER A 41 -1.455 6.938 7.322 1.00 0.00 H new ATOM 0 HA SER A 41 -2.094 7.503 10.145 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.067 6.169 9.785 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.537 7.336 8.625 1.00 0.00 H new ATOM 0 HG SER A 41 1.377 7.551 10.846 1.00 0.00 H new ATOM 628 N LEU A 42 -2.427 9.894 9.595 1.00 0.00 N ATOM 629 CA LEU A 42 -2.558 11.328 9.421 1.00 0.00 C ATOM 630 C LEU A 42 -1.315 12.047 9.928 1.00 0.00 C ATOM 631 O LEU A 42 -0.830 12.990 9.299 1.00 0.00 O ATOM 632 CB LEU A 42 -3.808 11.845 10.140 1.00 0.00 C ATOM 633 CG LEU A 42 -4.070 13.350 10.027 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.261 13.759 8.575 1.00 0.00 C ATOM 635 CD2 LEU A 42 -5.282 13.737 10.850 1.00 0.00 C ATOM 0 H LEU A 42 -3.099 9.490 10.247 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.663 11.535 8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.675 11.314 9.747 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.729 11.588 11.196 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.200 13.878 10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.446 14.832 8.520 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.363 13.516 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.112 13.223 8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.456 14.809 10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.156 13.196 10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.107 13.484 11.896 1.00 0.00 H new ATOM 647 N GLU A 43 -0.797 11.584 11.060 1.00 0.00 N ATOM 648 CA GLU A 43 0.375 12.193 11.674 1.00 0.00 C ATOM 649 C GLU A 43 1.582 12.093 10.749 1.00 0.00 C ATOM 650 O GLU A 43 2.373 13.034 10.632 1.00 0.00 O ATOM 651 CB GLU A 43 0.688 11.506 13.001 1.00 0.00 C ATOM 652 CG GLU A 43 -0.361 11.737 14.070 1.00 0.00 C ATOM 653 CD GLU A 43 -0.587 13.199 14.354 1.00 0.00 C ATOM 654 OE1 GLU A 43 0.399 13.917 14.632 1.00 0.00 O ATOM 655 OE2 GLU A 43 -1.751 13.642 14.314 1.00 0.00 O ATOM 0 H GLU A 43 -1.173 10.786 11.572 1.00 0.00 H new ATOM 0 HA GLU A 43 0.158 13.246 11.854 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.789 10.434 12.830 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.651 11.863 13.366 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.301 11.282 13.756 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.055 11.235 14.988 1.00 0.00 H new ATOM 662 N GLN A 44 1.727 10.950 10.106 1.00 0.00 N ATOM 663 CA GLN A 44 2.817 10.734 9.174 1.00 0.00 C ATOM 664 C GLN A 44 2.545 11.453 7.847 1.00 0.00 C ATOM 665 O GLN A 44 3.473 11.877 7.152 1.00 0.00 O ATOM 666 CB GLN A 44 3.030 9.237 8.943 1.00 0.00 C ATOM 667 CG GLN A 44 4.258 8.910 8.114 1.00 0.00 C ATOM 668 CD GLN A 44 5.541 9.375 8.770 1.00 0.00 C ATOM 669 OE1 GLN A 44 5.656 9.398 9.998 1.00 0.00 O ATOM 670 NE2 GLN A 44 6.503 9.761 7.962 1.00 0.00 N ATOM 0 H GLN A 44 1.100 10.153 10.213 1.00 0.00 H new ATOM 0 HA GLN A 44 3.728 11.150 9.605 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.113 8.739 9.909 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.150 8.827 8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.306 7.833 7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.165 9.377 7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.366 9.726 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.387 10.096 8.345 1.00 0.00 H new ATOM 679 N GLY A 45 1.269 11.602 7.517 1.00 0.00 N ATOM 680 CA GLY A 45 0.890 12.228 6.265 1.00 0.00 C ATOM 681 C GLY A 45 0.954 11.251 5.111 1.00 0.00 C ATOM 682 O GLY A 45 1.029 11.646 3.944 1.00 0.00 O ATOM 0 H GLY A 45 0.486 11.299 8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.121 12.627 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.550 13.072 6.065 1.00 0.00 H new ATOM 686 N SER A 46 0.917 9.973 5.436 1.00 0.00 N ATOM 687 CA SER A 46 1.004 8.934 4.441 1.00 0.00 C ATOM 688 C SER A 46 0.119 7.755 4.821 1.00 0.00 C ATOM 689 O SER A 46 -0.347 7.652 5.961 1.00 0.00 O ATOM 690 CB SER A 46 2.459 8.483 4.274 1.00 0.00 C ATOM 691 OG SER A 46 2.968 7.931 5.472 1.00 0.00 O ATOM 0 H SER A 46 0.826 9.632 6.393 1.00 0.00 H new ATOM 0 HA SER A 46 0.652 9.332 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.523 7.744 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.073 9.332 3.973 1.00 0.00 H new ATOM 0 HG SER A 46 3.897 7.651 5.334 1.00 0.00 H new ATOM 697 N ALA A 47 -0.110 6.872 3.876 1.00 0.00 N ATOM 698 CA ALA A 47 -0.942 5.718 4.113 1.00 0.00 C ATOM 699 C ALA A 47 -0.140 4.444 3.948 1.00 0.00 C ATOM 700 O ALA A 47 0.599 4.290 2.985 1.00 0.00 O ATOM 701 CB ALA A 47 -2.130 5.722 3.164 1.00 0.00 C ATOM 0 H ALA A 47 0.271 6.933 2.932 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.313 5.762 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.750 4.846 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.720 6.625 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.773 5.698 2.134 1.00 0.00 H new ATOM 707 N THR A 48 -0.297 3.543 4.891 1.00 0.00 N ATOM 708 CA THR A 48 0.405 2.283 4.883 1.00 0.00 C ATOM 709 C THR A 48 -0.510 1.210 4.335 1.00 0.00 C ATOM 710 O THR A 48 -1.596 0.973 4.869 1.00 0.00 O ATOM 711 CB THR A 48 0.824 1.898 6.313 1.00 0.00 C ATOM 712 OG1 THR A 48 1.620 2.952 6.872 1.00 0.00 O ATOM 713 CG2 THR A 48 1.630 0.605 6.311 1.00 0.00 C ATOM 0 H THR A 48 -0.920 3.666 5.689 1.00 0.00 H new ATOM 0 HA THR A 48 1.295 2.376 4.261 1.00 0.00 H new ATOM 0 HB THR A 48 -0.074 1.747 6.911 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.888 2.712 7.784 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.915 0.352 7.332 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.025 -0.200 5.894 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.527 0.736 5.706 1.00 0.00 H new ATOM 721 N VAL A 49 -0.092 0.576 3.273 1.00 0.00 N ATOM 722 CA VAL A 49 -0.896 -0.445 2.665 1.00 0.00 C ATOM 723 C VAL A 49 -0.114 -1.727 2.474 1.00 0.00 C ATOM 724 O VAL A 49 1.113 -1.715 2.296 1.00 0.00 O ATOM 725 CB VAL A 49 -1.473 0.011 1.294 1.00 0.00 C ATOM 726 CG1 VAL A 49 -2.403 1.202 1.467 1.00 0.00 C ATOM 727 CG2 VAL A 49 -0.352 0.353 0.317 1.00 0.00 C ATOM 0 H VAL A 49 0.801 0.750 2.812 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.724 -0.630 3.349 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.047 -0.819 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.794 1.503 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.230 0.926 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.852 2.032 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.782 0.669 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.254 1.160 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.273 -0.526 0.158 1.00 0.00 H new ATOM 737 N LYS A 50 -0.826 -2.821 2.538 1.00 0.00 N ATOM 738 CA LYS A 50 -0.274 -4.125 2.278 1.00 0.00 C ATOM 739 C LYS A 50 -0.964 -4.673 1.057 1.00 0.00 C ATOM 740 O LYS A 50 -2.188 -4.760 1.029 1.00 0.00 O ATOM 741 CB LYS A 50 -0.486 -5.051 3.482 1.00 0.00 C ATOM 742 CG LYS A 50 0.339 -4.671 4.703 1.00 0.00 C ATOM 743 CD LYS A 50 0.084 -5.612 5.870 1.00 0.00 C ATOM 744 CE LYS A 50 1.018 -5.325 7.045 1.00 0.00 C ATOM 745 NZ LYS A 50 0.849 -3.952 7.587 1.00 0.00 N ATOM 0 H LYS A 50 -1.818 -2.832 2.775 1.00 0.00 H new ATOM 0 HA LYS A 50 0.801 -4.057 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.542 -5.044 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.238 -6.072 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.398 -4.689 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.100 -3.650 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.951 -5.514 6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.219 -6.643 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.832 -6.050 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.051 -5.461 6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.443 -3.837 8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.133 -3.257 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.148 -3.799 7.841 1.00 0.00 H new ATOM 759 N TYR A 51 -0.205 -5.034 0.052 1.00 0.00 N ATOM 760 CA TYR A 51 -0.795 -5.463 -1.201 1.00 0.00 C ATOM 761 C TYR A 51 0.090 -6.454 -1.919 1.00 0.00 C ATOM 762 O TYR A 51 1.266 -6.623 -1.577 1.00 0.00 O ATOM 763 CB TYR A 51 -1.052 -4.246 -2.107 1.00 0.00 C ATOM 764 CG TYR A 51 0.216 -3.552 -2.586 1.00 0.00 C ATOM 765 CD1 TYR A 51 0.844 -2.591 -1.806 1.00 0.00 C ATOM 766 CD2 TYR A 51 0.786 -3.870 -3.815 1.00 0.00 C ATOM 767 CE1 TYR A 51 1.998 -1.966 -2.236 1.00 0.00 C ATOM 768 CE2 TYR A 51 1.940 -3.251 -4.249 1.00 0.00 C ATOM 769 CZ TYR A 51 2.542 -2.300 -3.457 1.00 0.00 C ATOM 770 OH TYR A 51 3.695 -1.682 -3.888 1.00 0.00 O ATOM 0 H TYR A 51 0.815 -5.041 0.072 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.740 -5.956 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.628 -4.567 -2.975 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.666 -3.526 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.423 -2.328 -0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.316 -4.615 -4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.472 -1.218 -1.618 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.369 -3.511 -5.205 1.00 0.00 H new ATOM 0 HH TYR A 51 3.945 -2.033 -4.768 1.00 0.00 H new ATOM 780 N VAL A 52 -0.485 -7.117 -2.899 1.00 0.00 N ATOM 781 CA VAL A 52 0.244 -8.041 -3.725 1.00 0.00 C ATOM 782 C VAL A 52 0.603 -7.354 -5.047 1.00 0.00 C ATOM 783 O VAL A 52 -0.281 -7.075 -5.867 1.00 0.00 O ATOM 784 CB VAL A 52 -0.588 -9.313 -4.018 1.00 0.00 C ATOM 785 CG1 VAL A 52 0.213 -10.306 -4.848 1.00 0.00 C ATOM 786 CG2 VAL A 52 -1.066 -9.954 -2.722 1.00 0.00 C ATOM 0 H VAL A 52 -1.472 -7.027 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 52 1.147 -8.341 -3.193 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.464 -9.019 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.393 -11.191 -5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.494 -9.845 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.112 -10.593 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.649 -10.846 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.205 -10.229 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.687 -9.246 -2.173 1.00 0.00 H new ATOM 796 N PRO A 53 1.902 -7.063 -5.261 1.00 0.00 N ATOM 797 CA PRO A 53 2.401 -6.384 -6.481 1.00 0.00 C ATOM 798 C PRO A 53 2.008 -7.112 -7.761 1.00 0.00 C ATOM 799 O PRO A 53 1.904 -6.509 -8.827 1.00 0.00 O ATOM 800 CB PRO A 53 3.921 -6.418 -6.300 1.00 0.00 C ATOM 801 CG PRO A 53 4.109 -6.474 -4.829 1.00 0.00 C ATOM 802 CD PRO A 53 2.999 -7.343 -4.317 1.00 0.00 C ATOM 0 HA PRO A 53 1.984 -5.382 -6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.362 -7.285 -6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.393 -5.534 -6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.083 -6.890 -4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.063 -5.478 -4.389 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.276 -8.397 -4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.726 -7.089 -3.293 1.00 0.00 H new ATOM 810 N SER A 54 1.816 -8.410 -7.653 1.00 0.00 N ATOM 811 CA SER A 54 1.417 -9.221 -8.782 1.00 0.00 C ATOM 812 C SER A 54 0.048 -8.777 -9.317 1.00 0.00 C ATOM 813 O SER A 54 -0.180 -8.748 -10.527 1.00 0.00 O ATOM 814 CB SER A 54 1.363 -10.689 -8.373 1.00 0.00 C ATOM 815 OG SER A 54 2.641 -11.154 -7.963 1.00 0.00 O ATOM 0 H SER A 54 1.932 -8.930 -6.783 1.00 0.00 H new ATOM 0 HA SER A 54 2.154 -9.093 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.648 -10.817 -7.560 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.005 -11.290 -9.209 1.00 0.00 H new ATOM 0 HG SER A 54 2.578 -12.097 -7.704 1.00 0.00 H new ATOM 821 N VAL A 55 -0.857 -8.435 -8.406 1.00 0.00 N ATOM 822 CA VAL A 55 -2.210 -8.051 -8.782 1.00 0.00 C ATOM 823 C VAL A 55 -2.326 -6.543 -9.053 1.00 0.00 C ATOM 824 O VAL A 55 -2.873 -6.126 -10.077 1.00 0.00 O ATOM 825 CB VAL A 55 -3.231 -8.453 -7.696 1.00 0.00 C ATOM 826 CG1 VAL A 55 -4.643 -8.096 -8.129 1.00 0.00 C ATOM 827 CG2 VAL A 55 -3.124 -9.938 -7.382 1.00 0.00 C ATOM 0 H VAL A 55 -0.677 -8.416 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.436 -8.588 -9.704 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.002 -7.895 -6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.347 -8.388 -7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.711 -7.021 -8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.885 -8.623 -9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.852 -10.201 -6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.323 -10.516 -8.284 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.120 -10.162 -7.022 1.00 0.00 H new ATOM 837 N VAL A 56 -1.790 -5.732 -8.154 1.00 0.00 N ATOM 838 CA VAL A 56 -1.894 -4.280 -8.284 1.00 0.00 C ATOM 839 C VAL A 56 -0.519 -3.637 -8.291 1.00 0.00 C ATOM 840 O VAL A 56 0.454 -4.236 -7.840 1.00 0.00 O ATOM 841 CB VAL A 56 -2.758 -3.652 -7.156 1.00 0.00 C ATOM 842 CG1 VAL A 56 -4.191 -4.160 -7.228 1.00 0.00 C ATOM 843 CG2 VAL A 56 -2.161 -3.945 -5.787 1.00 0.00 C ATOM 0 H VAL A 56 -1.280 -6.049 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.388 -4.085 -9.236 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.766 -2.572 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.778 -3.707 -6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.624 -3.893 -8.192 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.199 -5.244 -7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.784 -3.495 -5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.115 -5.023 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.156 -3.527 -5.731 1.00 0.00 H new ATOM 853 N CYS A 57 -0.439 -2.419 -8.796 1.00 0.00 N ATOM 854 CA CYS A 57 0.839 -1.742 -8.920 1.00 0.00 C ATOM 855 C CYS A 57 0.755 -0.296 -8.444 1.00 0.00 C ATOM 856 O CYS A 57 -0.340 0.250 -8.257 1.00 0.00 O ATOM 857 CB CYS A 57 1.307 -1.783 -10.372 1.00 0.00 C ATOM 858 SG CYS A 57 0.227 -0.890 -11.516 1.00 0.00 S ATOM 0 H CYS A 57 -1.240 -1.880 -9.126 1.00 0.00 H new ATOM 0 HA CYS A 57 1.558 -2.262 -8.287 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.311 -1.362 -10.432 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.378 -2.823 -10.691 1.00 0.00 H new ATOM 0 HG CYS A 57 0.705 -0.978 -12.722 1.00 0.00 H new ATOM 864 N LEU A 58 1.922 0.320 -8.273 1.00 0.00 N ATOM 865 CA LEU A 58 2.030 1.700 -7.811 1.00 0.00 C ATOM 866 C LEU A 58 1.354 2.672 -8.767 1.00 0.00 C ATOM 867 O LEU A 58 0.634 3.568 -8.338 1.00 0.00 O ATOM 868 CB LEU A 58 3.498 2.089 -7.646 1.00 0.00 C ATOM 869 CG LEU A 58 3.753 3.537 -7.223 1.00 0.00 C ATOM 870 CD1 LEU A 58 3.140 3.824 -5.859 1.00 0.00 C ATOM 871 CD2 LEU A 58 5.240 3.836 -7.228 1.00 0.00 C ATOM 0 H LEU A 58 2.822 -0.126 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 58 1.521 1.760 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.950 1.428 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.012 1.909 -8.590 1.00 0.00 H new ATOM 0 HG LEU A 58 3.271 4.195 -7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.336 4.860 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.064 3.657 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.581 3.160 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.404 4.870 -6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.748 3.169 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.638 3.684 -8.231 1.00 0.00 H new ATOM 883 N GLN A 59 1.584 2.486 -10.059 1.00 0.00 N ATOM 884 CA GLN A 59 1.032 3.376 -11.070 1.00 0.00 C ATOM 885 C GLN A 59 -0.484 3.377 -11.007 1.00 0.00 C ATOM 886 O GLN A 59 -1.111 4.424 -11.098 1.00 0.00 O ATOM 887 CB GLN A 59 1.492 2.956 -12.464 1.00 0.00 C ATOM 888 CG GLN A 59 1.010 3.878 -13.575 1.00 0.00 C ATOM 889 CD GLN A 59 1.475 3.432 -14.943 1.00 0.00 C ATOM 890 OE1 GLN A 59 1.652 2.239 -15.194 1.00 0.00 O ATOM 891 NE2 GLN A 59 1.671 4.377 -15.836 1.00 0.00 N ATOM 0 H GLN A 59 2.151 1.725 -10.432 1.00 0.00 H new ATOM 0 HA GLN A 59 1.395 4.384 -10.869 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.581 2.920 -12.481 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.137 1.945 -12.664 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.079 3.919 -13.561 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.370 4.889 -13.385 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.513 5.354 -15.588 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.981 4.133 -16.777 1.00 0.00 H new ATOM 900 N GLN A 60 -1.063 2.198 -10.839 1.00 0.00 N ATOM 901 CA GLN A 60 -2.506 2.065 -10.736 1.00 0.00 C ATOM 902 C GLN A 60 -3.031 2.828 -9.521 1.00 0.00 C ATOM 903 O GLN A 60 -4.010 3.564 -9.615 1.00 0.00 O ATOM 904 CB GLN A 60 -2.885 0.588 -10.640 1.00 0.00 C ATOM 905 CG GLN A 60 -4.376 0.331 -10.551 1.00 0.00 C ATOM 906 CD GLN A 60 -4.706 -1.145 -10.558 1.00 0.00 C ATOM 907 OE1 GLN A 60 -3.913 -1.974 -10.110 1.00 0.00 O ATOM 908 NE2 GLN A 60 -5.875 -1.483 -11.063 1.00 0.00 N ATOM 0 H GLN A 60 -0.553 1.317 -10.771 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.962 2.491 -11.630 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.490 0.066 -11.511 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.401 0.157 -9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.767 0.784 -9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.877 0.817 -11.388 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.502 -0.764 -11.424 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.153 -2.464 -11.093 1.00 0.00 H new ATOM 917 N VAL A 61 -2.357 2.657 -8.388 1.00 0.00 N ATOM 918 CA VAL A 61 -2.736 3.338 -7.148 1.00 0.00 C ATOM 919 C VAL A 61 -2.587 4.857 -7.295 1.00 0.00 C ATOM 920 O VAL A 61 -3.496 5.629 -6.949 1.00 0.00 O ATOM 921 CB VAL A 61 -1.874 2.838 -5.956 1.00 0.00 C ATOM 922 CG1 VAL A 61 -2.134 3.658 -4.700 1.00 0.00 C ATOM 923 CG2 VAL A 61 -2.134 1.361 -5.693 1.00 0.00 C ATOM 0 H VAL A 61 -1.542 2.051 -8.300 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.781 3.104 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.826 2.966 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.515 3.282 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.888 4.703 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.185 3.577 -4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.522 1.027 -4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.187 1.214 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.879 0.783 -6.581 1.00 0.00 H new ATOM 933 N CYS A 62 -1.454 5.268 -7.843 1.00 0.00 N ATOM 934 CA CYS A 62 -1.155 6.668 -8.060 1.00 0.00 C ATOM 935 C CYS A 62 -2.188 7.280 -8.993 1.00 0.00 C ATOM 936 O CYS A 62 -2.635 8.398 -8.792 1.00 0.00 O ATOM 937 CB CYS A 62 0.256 6.818 -8.643 1.00 0.00 C ATOM 938 SG CYS A 62 0.820 8.525 -8.818 1.00 0.00 S ATOM 0 H CYS A 62 -0.716 4.635 -8.150 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.193 7.195 -7.107 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.958 6.281 -8.005 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.284 6.338 -9.621 1.00 0.00 H new ATOM 0 HG CYS A 62 2.021 8.536 -9.316 1.00 0.00 H new ATOM 944 N HIS A 63 -2.567 6.520 -10.005 1.00 0.00 N ATOM 945 CA HIS A 63 -3.549 6.948 -10.988 1.00 0.00 C ATOM 946 C HIS A 63 -4.894 7.251 -10.336 1.00 0.00 C ATOM 947 O HIS A 63 -5.547 8.239 -10.681 1.00 0.00 O ATOM 948 CB HIS A 63 -3.716 5.876 -12.076 1.00 0.00 C ATOM 949 CG HIS A 63 -4.737 6.216 -13.119 1.00 0.00 C ATOM 950 ND1 HIS A 63 -6.042 5.775 -13.065 1.00 0.00 N ATOM 951 CD2 HIS A 63 -4.645 6.963 -14.242 1.00 0.00 C ATOM 952 CE1 HIS A 63 -6.704 6.235 -14.107 1.00 0.00 C ATOM 953 NE2 HIS A 63 -5.881 6.958 -14.834 1.00 0.00 N ATOM 0 H HIS A 63 -2.200 5.583 -10.170 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.184 7.867 -11.446 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.754 5.715 -12.563 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.995 4.934 -11.603 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.763 7.469 -14.605 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.745 6.050 -14.327 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.124 7.439 -15.700 1.00 0.00 H new ATOM 961 N GLN A 64 -5.298 6.408 -9.390 1.00 0.00 N ATOM 962 CA GLN A 64 -6.603 6.546 -8.755 1.00 0.00 C ATOM 963 C GLN A 64 -6.731 7.895 -8.044 1.00 0.00 C ATOM 964 O GLN A 64 -7.739 8.589 -8.195 1.00 0.00 O ATOM 965 CB GLN A 64 -6.818 5.421 -7.736 1.00 0.00 C ATOM 966 CG GLN A 64 -6.784 4.021 -8.331 1.00 0.00 C ATOM 967 CD GLN A 64 -7.840 3.791 -9.390 1.00 0.00 C ATOM 968 OE1 GLN A 64 -8.932 4.356 -9.339 1.00 0.00 O ATOM 969 NE2 GLN A 64 -7.518 2.960 -10.358 1.00 0.00 N ATOM 0 H GLN A 64 -4.742 5.625 -9.048 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.360 6.486 -9.537 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.051 5.494 -6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.779 5.571 -7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.800 3.843 -8.765 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.917 3.292 -7.532 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.601 2.513 -10.362 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.185 2.763 -11.104 1.00 0.00 H new ATOM 978 N ILE A 65 -5.703 8.275 -7.293 1.00 0.00 N ATOM 979 CA ILE A 65 -5.729 9.550 -6.576 1.00 0.00 C ATOM 980 C ILE A 65 -5.310 10.723 -7.482 1.00 0.00 C ATOM 981 O ILE A 65 -5.856 11.831 -7.381 1.00 0.00 O ATOM 982 CB ILE A 65 -4.857 9.512 -5.288 1.00 0.00 C ATOM 983 CG1 ILE A 65 -5.045 10.797 -4.471 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.386 9.286 -5.621 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.399 10.753 -3.102 1.00 0.00 C ATOM 0 H ILE A 65 -4.851 7.729 -7.164 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.763 9.713 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.189 8.669 -4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.631 11.636 -5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.112 10.988 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.804 9.265 -4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.273 8.336 -6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.029 10.095 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.575 11.697 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.830 9.936 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.326 10.594 -3.211 1.00 0.00 H new ATOM 997 N GLY A 66 -4.360 10.460 -8.377 1.00 0.00 N ATOM 998 CA GLY A 66 -3.860 11.480 -9.280 1.00 0.00 C ATOM 999 C GLY A 66 -4.933 12.019 -10.188 1.00 0.00 C ATOM 1000 O GLY A 66 -4.990 13.221 -10.442 1.00 0.00 O ATOM 0 H GLY A 66 -3.924 9.545 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.434 12.298 -8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.053 11.064 -9.883 1.00 0.00 H new ATOM 1004 N ASP A 67 -5.795 11.130 -10.668 1.00 0.00 N ATOM 1005 CA ASP A 67 -6.902 11.510 -11.542 1.00 0.00 C ATOM 1006 C ASP A 67 -7.826 12.490 -10.830 1.00 0.00 C ATOM 1007 O ASP A 67 -8.320 13.447 -11.431 1.00 0.00 O ATOM 1008 CB ASP A 67 -7.680 10.272 -11.990 1.00 0.00 C ATOM 1009 CG ASP A 67 -8.820 10.601 -12.929 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -8.556 11.009 -14.079 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -9.986 10.435 -12.527 1.00 0.00 O ATOM 0 H ASP A 67 -5.748 10.132 -10.465 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.493 11.998 -12.427 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.998 9.579 -12.483 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.075 9.760 -11.113 1.00 0.00 H new ATOM 1016 N MET A 68 -8.046 12.244 -9.542 1.00 0.00 N ATOM 1017 CA MET A 68 -8.871 13.118 -8.712 1.00 0.00 C ATOM 1018 C MET A 68 -8.238 14.507 -8.603 1.00 0.00 C ATOM 1019 O MET A 68 -8.935 15.511 -8.475 1.00 0.00 O ATOM 1020 CB MET A 68 -9.072 12.508 -7.321 1.00 0.00 C ATOM 1021 CG MET A 68 -10.047 13.278 -6.438 1.00 0.00 C ATOM 1022 SD MET A 68 -11.703 13.383 -7.150 1.00 0.00 S ATOM 1023 CE MET A 68 -12.567 14.277 -5.860 1.00 0.00 C ATOM 0 H MET A 68 -7.661 11.440 -9.046 1.00 0.00 H new ATOM 0 HA MET A 68 -9.847 13.220 -9.185 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.431 11.485 -7.433 1.00 0.00 H new ATOM 0 HB3 MET A 68 -8.107 12.454 -6.817 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.106 12.795 -5.463 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.663 14.285 -6.273 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.607 14.422 -6.152 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.526 13.707 -4.932 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.094 15.248 -5.710 1.00 0.00 H new ATOM 1033 N GLY A 69 -6.915 14.556 -8.662 1.00 0.00 N ATOM 1034 CA GLY A 69 -6.228 15.827 -8.604 1.00 0.00 C ATOM 1035 C GLY A 69 -5.339 15.971 -7.391 1.00 0.00 C ATOM 1036 O GLY A 69 -4.807 17.052 -7.132 1.00 0.00 O ATOM 0 H GLY A 69 -6.308 13.741 -8.749 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.625 15.948 -9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.964 16.631 -8.604 1.00 0.00 H new ATOM 1040 N PHE A 70 -5.171 14.898 -6.643 1.00 0.00 N ATOM 1041 CA PHE A 70 -4.328 14.939 -5.466 1.00 0.00 C ATOM 1042 C PHE A 70 -3.120 14.038 -5.665 1.00 0.00 C ATOM 1043 O PHE A 70 -3.227 12.966 -6.257 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.134 14.580 -4.211 1.00 0.00 C ATOM 1045 CG PHE A 70 -6.280 15.526 -4.000 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -6.055 16.810 -3.535 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -7.576 15.145 -4.304 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.102 17.695 -3.370 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -8.627 16.026 -4.145 1.00 0.00 C ATOM 1050 CZ PHE A 70 -8.389 17.302 -3.677 1.00 0.00 C ATOM 0 H PHE A 70 -5.604 13.993 -6.828 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.957 15.953 -5.317 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.514 13.562 -4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.480 14.600 -3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.049 17.123 -3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.767 14.147 -4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.914 18.693 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.633 15.717 -4.386 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.209 17.993 -3.551 1.00 0.00 H new ATOM 1060 N GLU A 71 -1.975 14.480 -5.185 1.00 0.00 N ATOM 1061 CA GLU A 71 -0.727 13.789 -5.458 1.00 0.00 C ATOM 1062 C GLU A 71 -0.287 12.891 -4.308 1.00 0.00 C ATOM 1063 O GLU A 71 -0.306 13.289 -3.143 1.00 0.00 O ATOM 1064 CB GLU A 71 0.368 14.806 -5.797 1.00 0.00 C ATOM 1065 CG GLU A 71 1.703 14.184 -6.176 1.00 0.00 C ATOM 1066 CD GLU A 71 2.714 15.217 -6.616 1.00 0.00 C ATOM 1067 OE1 GLU A 71 2.618 15.690 -7.768 1.00 0.00 O ATOM 1068 OE2 GLU A 71 3.611 15.560 -5.819 1.00 0.00 O ATOM 0 H GLU A 71 -1.881 15.313 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.898 13.136 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.025 15.431 -6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.516 15.462 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.099 13.632 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.550 13.463 -6.979 1.00 0.00 H new ATOM 1075 N ALA A 72 0.099 11.674 -4.656 1.00 0.00 N ATOM 1076 CA ALA A 72 0.615 10.718 -3.701 1.00 0.00 C ATOM 1077 C ALA A 72 1.914 10.122 -4.230 1.00 0.00 C ATOM 1078 O ALA A 72 2.030 9.837 -5.424 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.406 9.620 -3.435 1.00 0.00 C ATOM 0 H ALA A 72 0.061 11.324 -5.613 1.00 0.00 H new ATOM 0 HA ALA A 72 0.813 11.229 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.001 8.911 -2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.319 10.061 -3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.633 9.101 -4.366 1.00 0.00 H new ATOM 1085 N SER A 73 2.890 9.951 -3.357 1.00 0.00 N ATOM 1086 CA SER A 73 4.180 9.407 -3.762 1.00 0.00 C ATOM 1087 C SER A 73 4.574 8.223 -2.881 1.00 0.00 C ATOM 1088 O SER A 73 4.324 8.226 -1.677 1.00 0.00 O ATOM 1089 CB SER A 73 5.244 10.501 -3.713 1.00 0.00 C ATOM 1090 OG SER A 73 4.889 11.577 -4.565 1.00 0.00 O ATOM 0 H SER A 73 2.818 10.179 -2.365 1.00 0.00 H new ATOM 0 HA SER A 73 4.100 9.043 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.357 10.861 -2.690 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.208 10.093 -4.016 1.00 0.00 H new ATOM 0 HG SER A 73 5.580 12.271 -4.521 1.00 0.00 H new ATOM 1096 N ILE A 74 5.210 7.233 -3.481 1.00 0.00 N ATOM 1097 CA ILE A 74 5.563 5.998 -2.784 1.00 0.00 C ATOM 1098 C ILE A 74 6.734 6.174 -1.815 1.00 0.00 C ATOM 1099 O ILE A 74 7.664 6.945 -2.060 1.00 0.00 O ATOM 1100 CB ILE A 74 5.909 4.861 -3.789 1.00 0.00 C ATOM 1101 CG1 ILE A 74 6.137 3.533 -3.050 1.00 0.00 C ATOM 1102 CG2 ILE A 74 7.139 5.229 -4.617 1.00 0.00 C ATOM 1103 CD1 ILE A 74 6.296 2.336 -3.964 1.00 0.00 C ATOM 0 H ILE A 74 5.497 7.256 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 74 4.680 5.726 -2.205 1.00 0.00 H new ATOM 0 HB ILE A 74 5.063 4.737 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.028 3.623 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.297 3.355 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.364 4.421 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.941 6.144 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 74 7.990 5.385 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.453 1.439 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.396 2.217 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.154 2.490 -4.619 1.00 0.00 H new ATOM 1115 N ALA A 75 6.633 5.495 -0.697 1.00 0.00 N ATOM 1116 CA ALA A 75 7.702 5.395 0.275 1.00 0.00 C ATOM 1117 C ALA A 75 7.689 3.990 0.863 1.00 0.00 C ATOM 1118 O ALA A 75 6.662 3.528 1.348 1.00 0.00 O ATOM 1119 CB ALA A 75 7.532 6.436 1.376 1.00 0.00 C ATOM 0 H ALA A 75 5.790 4.986 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 75 8.658 5.585 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.346 6.342 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.548 7.434 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.580 6.277 1.883 1.00 0.00 H new ATOM 1125 N GLU A 76 8.803 3.308 0.807 1.00 0.00 N ATOM 1126 CA GLU A 76 8.867 1.953 1.316 1.00 0.00 C ATOM 1127 C GLU A 76 9.820 1.847 2.494 1.00 0.00 C ATOM 1128 O GLU A 76 11.040 2.044 2.301 1.00 0.00 O ATOM 1129 CB GLU A 76 9.242 0.962 0.210 1.00 0.00 C ATOM 1130 CG GLU A 76 10.402 1.399 -0.663 1.00 0.00 C ATOM 1131 CD GLU A 76 10.875 0.293 -1.564 1.00 0.00 C ATOM 1132 OE1 GLU A 76 11.519 -0.647 -1.057 1.00 0.00 O ATOM 1133 OE2 GLU A 76 10.600 0.342 -2.780 1.00 0.00 O ATOM 1134 OXT GLU A 76 9.347 1.567 3.611 1.00 0.00 O ATOM 0 H GLU A 76 9.677 3.661 0.417 1.00 0.00 H new ATOM 0 HA GLU A 76 7.872 1.690 1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.489 0.004 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.370 0.797 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.099 2.254 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.226 1.730 -0.032 1.00 0.00 H new TER 1141 GLU A 76