USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 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 52 GLN : amide:sc= -1.06 K(o=-1.1,f=-6.8!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 ASN : amide:sc= -0.681 K(o=-2.2,f=-4!) USER MOD Set 2.2: A 63 MET CE :methyl 155:sc= -1.55 (180deg=-0.642) USER MOD Single : A 1 MET CE :methyl -146:sc= -0.351 (180deg=-1.27) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.15) USER MOD Single : A 10 SER OG : rot -28:sc= 0.0102 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -2.89! (180deg=-4.22!) USER MOD Single : A 15 ASN : amide:sc= -0.967 X(o=-0.97,f=-1.2) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -5.14! C(o=-5.8!,f=-5.1!) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.0288 (180deg=-0.268) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.14 X(o=-2.1,f=-1.7) USER MOD Single : A 27 ASN : amide:sc= -0.0238 K(o=-0.024,f=-1.6!) USER MOD Single : A 28 GLN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -112:sc= 0.0686 (180deg=-0.0151) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.863 K(o=-0.86,f=-1.8!) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.63 F(o=-1.2,f=-0.63) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.946 F(o=-1.5,f=-0.95) USER MOD Single : A 42 SER OG : rot 50:sc= 0.779 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.09) USER MOD Single : A 49 MET CE :methyl 165:sc= 0 (180deg=-0.133) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -150:sc= -0.157 (180deg=-0.661) USER MOD Single : A 53 LYS NZ :NH3+ -109:sc= 0.176 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0866) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -119:sc= 0.69 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.857 -5.765 6.781 1.00 0.00 N ATOM 2 CA MET A 1 -15.679 -6.346 7.477 1.00 0.00 C ATOM 3 C MET A 1 -14.395 -5.618 7.091 1.00 0.00 C ATOM 4 O MET A 1 -13.733 -5.978 6.119 1.00 0.00 O ATOM 5 CB MET A 1 -15.577 -7.827 7.108 1.00 0.00 C ATOM 6 CG MET A 1 -14.624 -8.610 7.996 1.00 0.00 C ATOM 7 SD MET A 1 -15.222 -10.272 8.362 1.00 0.00 S ATOM 8 CE MET A 1 -16.764 -9.901 9.192 1.00 0.00 C ATOM 0 H1 MET A 1 -17.716 -6.280 7.063 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.954 -4.762 7.040 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.727 -5.846 5.752 1.00 0.00 H new ATOM 0 HA MET A 1 -15.809 -6.234 8.553 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.568 -8.277 7.167 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.249 -7.913 6.072 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.652 -8.677 7.508 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.475 -8.068 8.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.949 -10.646 9.965 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.703 -8.913 9.648 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.580 -9.918 8.469 1.00 0.00 H new ATOM 20 N PHE A 2 -14.050 -4.590 7.860 1.00 0.00 N ATOM 21 CA PHE A 2 -12.845 -3.810 7.601 1.00 0.00 C ATOM 22 C PHE A 2 -11.707 -4.240 8.523 1.00 0.00 C ATOM 23 O PHE A 2 -10.836 -3.439 8.862 1.00 0.00 O ATOM 24 CB PHE A 2 -13.130 -2.319 7.786 1.00 0.00 C ATOM 25 CG PHE A 2 -13.841 -2.002 9.071 1.00 0.00 C ATOM 26 CD1 PHE A 2 -13.159 -2.017 10.276 1.00 0.00 C ATOM 27 CD2 PHE A 2 -15.191 -1.691 9.072 1.00 0.00 C ATOM 28 CE1 PHE A 2 -13.810 -1.727 11.460 1.00 0.00 C ATOM 29 CE2 PHE A 2 -15.848 -1.400 10.253 1.00 0.00 C ATOM 30 CZ PHE A 2 -15.157 -1.419 11.449 1.00 0.00 C ATOM 0 H PHE A 2 -14.588 -4.278 8.668 1.00 0.00 H new ATOM 0 HA PHE A 2 -12.540 -3.991 6.570 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -12.189 -1.770 7.755 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -13.732 -1.965 6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -12.106 -2.258 10.291 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -15.736 -1.676 8.140 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -13.266 -1.741 12.393 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -16.900 -1.158 10.241 1.00 0.00 H new ATOM 0 HZ PHE A 2 -15.668 -1.194 12.373 1.00 0.00 H new ATOM 40 N HIS A 3 -11.722 -5.507 8.925 1.00 0.00 N ATOM 41 CA HIS A 3 -10.690 -6.040 9.808 1.00 0.00 C ATOM 42 C HIS A 3 -9.433 -6.401 9.023 1.00 0.00 C ATOM 43 O HIS A 3 -8.316 -6.233 9.508 1.00 0.00 O ATOM 44 CB HIS A 3 -11.214 -7.271 10.551 1.00 0.00 C ATOM 45 CG HIS A 3 -11.573 -7.002 11.979 1.00 0.00 C ATOM 46 ND1 HIS A 3 -11.809 -8.004 12.898 1.00 0.00 N ATOM 47 CD2 HIS A 3 -11.736 -5.837 12.648 1.00 0.00 C ATOM 48 CE1 HIS A 3 -12.102 -7.467 14.068 1.00 0.00 C ATOM 49 NE2 HIS A 3 -12.064 -6.153 13.944 1.00 0.00 N ATOM 0 H HIS A 3 -12.436 -6.183 8.654 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.432 -5.268 10.533 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.092 -7.653 10.030 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.457 -8.055 10.517 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -11.628 -4.843 12.239 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -12.333 -8.010 14.972 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.248 -5.482 14.689 1.00 0.00 H new ATOM 58 N GLU A 4 -9.627 -6.896 7.806 1.00 0.00 N ATOM 59 CA GLU A 4 -8.513 -7.285 6.946 1.00 0.00 C ATOM 60 C GLU A 4 -7.823 -6.064 6.332 1.00 0.00 C ATOM 61 O GLU A 4 -6.814 -6.186 5.643 1.00 0.00 O ATOM 62 CB GLU A 4 -9.001 -8.220 5.839 1.00 0.00 C ATOM 63 CG GLU A 4 -9.763 -9.429 6.357 1.00 0.00 C ATOM 64 CD GLU A 4 -10.369 -10.259 5.243 1.00 0.00 C ATOM 65 OE1 GLU A 4 -10.922 -9.665 4.293 1.00 0.00 O ATOM 66 OE2 GLU A 4 -10.293 -11.503 5.319 1.00 0.00 O ATOM 0 H GLU A 4 -10.548 -7.038 7.391 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.784 -7.808 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.643 -7.660 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.144 -8.562 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.090 -10.053 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.555 -9.095 7.027 1.00 0.00 H new ATOM 73 N PHE A 5 -8.371 -4.887 6.584 1.00 0.00 N ATOM 74 CA PHE A 5 -7.806 -3.657 6.061 1.00 0.00 C ATOM 75 C PHE A 5 -6.814 -3.067 7.045 1.00 0.00 C ATOM 76 O PHE A 5 -5.911 -2.324 6.671 1.00 0.00 O ATOM 77 CB PHE A 5 -8.906 -2.647 5.767 1.00 0.00 C ATOM 78 CG PHE A 5 -9.725 -2.980 4.553 1.00 0.00 C ATOM 79 CD1 PHE A 5 -9.112 -3.367 3.372 1.00 0.00 C ATOM 80 CD2 PHE A 5 -11.108 -2.904 4.592 1.00 0.00 C ATOM 81 CE1 PHE A 5 -9.863 -3.673 2.254 1.00 0.00 C ATOM 82 CE2 PHE A 5 -11.864 -3.207 3.477 1.00 0.00 C ATOM 83 CZ PHE A 5 -11.240 -3.593 2.306 1.00 0.00 C ATOM 0 H PHE A 5 -9.210 -4.759 7.150 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.285 -3.890 5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.566 -2.580 6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.457 -1.663 5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.035 -3.430 3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -11.600 -2.604 5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.373 -3.975 1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -12.941 -3.142 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 5 -11.829 -3.832 1.433 1.00 0.00 H new ATOM 93 N ARG A 6 -6.988 -3.408 8.309 1.00 0.00 N ATOM 94 CA ARG A 6 -6.102 -2.930 9.351 1.00 0.00 C ATOM 95 C ARG A 6 -5.350 -4.102 9.948 1.00 0.00 C ATOM 96 O ARG A 6 -4.210 -3.964 10.389 1.00 0.00 O ATOM 97 CB ARG A 6 -6.890 -2.192 10.436 1.00 0.00 C ATOM 98 CG ARG A 6 -6.023 -1.657 11.564 1.00 0.00 C ATOM 99 CD ARG A 6 -5.884 -2.668 12.692 1.00 0.00 C ATOM 100 NE ARG A 6 -4.744 -2.368 13.555 1.00 0.00 N ATOM 101 CZ ARG A 6 -4.122 -3.274 14.308 1.00 0.00 C ATOM 102 NH1 ARG A 6 -4.529 -4.538 14.311 1.00 0.00 N ATOM 103 NH2 ARG A 6 -3.090 -2.913 15.059 1.00 0.00 N ATOM 0 H ARG A 6 -7.738 -4.016 8.638 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.390 -2.228 8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.430 -1.362 9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.637 -2.867 10.853 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.036 -1.405 11.177 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.458 -0.736 11.952 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.797 -2.676 13.287 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.768 -3.667 12.272 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.404 -1.407 13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.322 -4.820 13.735 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.049 -5.227 14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.774 -1.943 15.059 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.612 -3.605 15.636 1.00 0.00 H new ATOM 117 N ASP A 7 -5.991 -5.265 9.946 1.00 0.00 N ATOM 118 CA ASP A 7 -5.370 -6.460 10.473 1.00 0.00 C ATOM 119 C ASP A 7 -4.617 -7.192 9.377 1.00 0.00 C ATOM 120 O ASP A 7 -3.594 -7.816 9.640 1.00 0.00 O ATOM 121 CB ASP A 7 -6.410 -7.382 11.115 1.00 0.00 C ATOM 122 CG ASP A 7 -7.285 -6.658 12.121 1.00 0.00 C ATOM 123 OD1 ASP A 7 -7.744 -5.538 11.813 1.00 0.00 O ATOM 124 OD2 ASP A 7 -7.511 -7.212 13.218 1.00 0.00 O ATOM 0 H ASP A 7 -6.936 -5.399 9.586 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.661 -6.161 11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.038 -7.814 10.336 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.901 -8.210 11.610 1.00 0.00 H new ATOM 129 N GLU A 8 -5.098 -7.096 8.139 1.00 0.00 N ATOM 130 CA GLU A 8 -4.401 -7.743 7.042 1.00 0.00 C ATOM 131 C GLU A 8 -3.403 -6.777 6.433 1.00 0.00 C ATOM 132 O GLU A 8 -2.395 -7.185 5.862 1.00 0.00 O ATOM 133 CB GLU A 8 -5.366 -8.268 5.980 1.00 0.00 C ATOM 134 CG GLU A 8 -5.124 -9.721 5.608 1.00 0.00 C ATOM 135 CD GLU A 8 -6.244 -10.637 6.063 1.00 0.00 C ATOM 136 OE1 GLU A 8 -6.571 -10.621 7.268 1.00 0.00 O ATOM 137 OE2 GLU A 8 -6.794 -11.370 5.214 1.00 0.00 O ATOM 0 H GLU A 8 -5.945 -6.590 7.879 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.870 -8.608 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.388 -8.159 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.279 -7.652 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.012 -9.801 4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.185 -10.054 6.051 1.00 0.00 H new ATOM 144 N ILE A 9 -3.677 -5.484 6.562 1.00 0.00 N ATOM 145 CA ILE A 9 -2.766 -4.492 6.022 1.00 0.00 C ATOM 146 C ILE A 9 -1.655 -4.169 7.008 1.00 0.00 C ATOM 147 O ILE A 9 -0.538 -3.848 6.606 1.00 0.00 O ATOM 148 CB ILE A 9 -3.490 -3.192 5.638 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.659 -3.499 4.694 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.510 -2.213 5.002 1.00 0.00 C ATOM 151 CD1 ILE A 9 -5.259 -2.273 4.037 1.00 0.00 C ATOM 0 H ILE A 9 -4.504 -5.108 7.025 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.336 -4.930 5.121 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.894 -2.728 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.316 -4.183 3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.438 -4.017 5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.034 -1.296 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.714 -1.983 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.079 -2.660 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.079 -2.574 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.635 -1.596 4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.495 -1.765 3.448 1.00 0.00 H new ATOM 163 N SER A 10 -1.958 -4.237 8.298 1.00 0.00 N ATOM 164 CA SER A 10 -0.957 -3.927 9.303 1.00 0.00 C ATOM 165 C SER A 10 -0.178 -5.159 9.751 1.00 0.00 C ATOM 166 O SER A 10 0.909 -5.033 10.309 1.00 0.00 O ATOM 167 CB SER A 10 -1.601 -3.248 10.513 1.00 0.00 C ATOM 168 OG SER A 10 -0.633 -2.569 11.294 1.00 0.00 O ATOM 0 H SER A 10 -2.872 -4.499 8.666 1.00 0.00 H new ATOM 0 HA SER A 10 -0.247 -3.243 8.838 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.360 -2.542 10.176 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.108 -3.994 11.125 1.00 0.00 H new ATOM 0 HG SER A 10 0.236 -3.012 11.196 1.00 0.00 H new ATOM 174 N VAL A 11 -0.729 -6.347 9.538 1.00 0.00 N ATOM 175 CA VAL A 11 -0.042 -7.563 9.965 1.00 0.00 C ATOM 176 C VAL A 11 0.854 -8.144 8.878 1.00 0.00 C ATOM 177 O VAL A 11 1.911 -8.703 9.171 1.00 0.00 O ATOM 178 CB VAL A 11 -1.032 -8.641 10.453 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.299 -9.919 10.840 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.849 -8.119 11.626 1.00 0.00 C ATOM 0 H VAL A 11 -1.629 -6.496 9.083 1.00 0.00 H new ATOM 0 HA VAL A 11 0.592 -7.264 10.799 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.710 -8.876 9.633 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.019 -10.663 11.180 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.240 -10.305 9.975 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.408 -9.705 11.642 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.543 -8.891 11.959 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.181 -7.854 12.445 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.410 -7.237 11.315 1.00 0.00 H new ATOM 190 N LEU A 12 0.431 -8.029 7.630 1.00 0.00 N ATOM 191 CA LEU A 12 1.208 -8.567 6.520 1.00 0.00 C ATOM 192 C LEU A 12 2.184 -7.538 5.983 1.00 0.00 C ATOM 193 O LEU A 12 3.317 -7.867 5.633 1.00 0.00 O ATOM 194 CB LEU A 12 0.287 -9.027 5.394 1.00 0.00 C ATOM 195 CG LEU A 12 -1.070 -9.554 5.852 1.00 0.00 C ATOM 196 CD1 LEU A 12 -2.022 -9.691 4.670 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.912 -10.884 6.576 1.00 0.00 C ATOM 0 H LEU A 12 -0.439 -7.572 7.359 1.00 0.00 H new ATOM 0 HA LEU A 12 1.772 -9.420 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.125 -8.192 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.792 -9.809 4.827 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.498 -8.835 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.983 -10.068 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.163 -8.717 4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.602 -10.386 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.890 -11.243 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.459 -11.613 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.273 -10.750 7.449 1.00 0.00 H new ATOM 209 N LYS A 13 1.737 -6.296 5.905 1.00 0.00 N ATOM 210 CA LYS A 13 2.581 -5.232 5.390 1.00 0.00 C ATOM 211 C LYS A 13 3.566 -4.733 6.438 1.00 0.00 C ATOM 212 O LYS A 13 4.719 -4.440 6.124 1.00 0.00 O ATOM 213 CB LYS A 13 1.732 -4.077 4.880 1.00 0.00 C ATOM 214 CG LYS A 13 2.471 -3.198 3.895 1.00 0.00 C ATOM 215 CD LYS A 13 2.982 -3.991 2.705 1.00 0.00 C ATOM 216 CE LYS A 13 4.441 -4.385 2.879 1.00 0.00 C ATOM 217 NZ LYS A 13 5.363 -3.350 2.339 1.00 0.00 N ATOM 0 H LYS A 13 0.803 -6.001 6.189 1.00 0.00 H new ATOM 0 HA LYS A 13 3.156 -5.646 4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.835 -4.473 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.404 -3.472 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.808 -2.406 3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.309 -2.715 4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.375 -4.887 2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.870 -3.398 1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.651 -4.542 3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.624 -5.333 2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.321 -3.747 2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.033 -3.046 1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.381 -2.532 2.981 1.00 0.00 H new ATOM 231 N ALA A 14 3.118 -4.644 7.682 1.00 0.00 N ATOM 232 CA ALA A 14 3.986 -4.187 8.758 1.00 0.00 C ATOM 233 C ALA A 14 4.966 -5.282 9.175 1.00 0.00 C ATOM 234 O ALA A 14 5.832 -5.062 10.021 1.00 0.00 O ATOM 235 CB ALA A 14 3.165 -3.722 9.949 1.00 0.00 C ATOM 0 H ALA A 14 2.168 -4.880 7.970 1.00 0.00 H new ATOM 0 HA ALA A 14 4.564 -3.341 8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.833 -3.385 10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.517 -2.899 9.646 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.555 -4.548 10.315 1.00 0.00 H new ATOM 241 N ASN A 15 4.820 -6.465 8.578 1.00 0.00 N ATOM 242 CA ASN A 15 5.691 -7.593 8.897 1.00 0.00 C ATOM 243 C ASN A 15 6.350 -8.173 7.654 1.00 0.00 C ATOM 244 O ASN A 15 7.164 -9.091 7.754 1.00 0.00 O ATOM 245 CB ASN A 15 4.907 -8.681 9.630 1.00 0.00 C ATOM 246 CG ASN A 15 4.334 -8.191 10.945 1.00 0.00 C ATOM 247 OD1 ASN A 15 4.872 -7.274 11.566 1.00 0.00 O ATOM 248 ND2 ASN A 15 3.235 -8.800 11.377 1.00 0.00 N ATOM 0 H ASN A 15 4.110 -6.665 7.874 1.00 0.00 H new ATOM 0 HA ASN A 15 6.482 -7.218 9.547 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.097 -9.034 8.992 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.560 -9.533 9.816 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.804 -8.512 12.255 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.822 -9.556 10.830 1.00 0.00 H new ATOM 255 N ASN A 16 6.012 -7.643 6.486 1.00 0.00 N ATOM 256 CA ASN A 16 6.603 -8.135 5.255 1.00 0.00 C ATOM 257 C ASN A 16 7.992 -7.534 5.048 1.00 0.00 C ATOM 258 O ASN A 16 8.193 -6.341 5.264 1.00 0.00 O ATOM 259 CB ASN A 16 5.704 -7.816 4.059 1.00 0.00 C ATOM 260 CG ASN A 16 5.003 -9.045 3.516 1.00 0.00 C ATOM 261 OD1 ASN A 16 5.458 -10.172 3.714 1.00 0.00 O ATOM 262 ND2 ASN A 16 3.888 -8.834 2.827 1.00 0.00 N ATOM 0 H ASN A 16 5.341 -6.884 6.368 1.00 0.00 H new ATOM 0 HA ASN A 16 6.701 -9.218 5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.959 -7.078 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.303 -7.364 3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.372 -9.623 2.437 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.547 -7.883 2.687 1.00 0.00 H new ATOM 269 N PRO A 17 8.973 -8.353 4.627 1.00 0.00 N ATOM 270 CA PRO A 17 10.346 -7.887 4.398 1.00 0.00 C ATOM 271 C PRO A 17 10.406 -6.637 3.535 1.00 0.00 C ATOM 272 O PRO A 17 11.356 -5.859 3.613 1.00 0.00 O ATOM 273 CB PRO A 17 11.009 -9.067 3.685 1.00 0.00 C ATOM 274 CG PRO A 17 10.245 -10.260 4.143 1.00 0.00 C ATOM 275 CD PRO A 17 8.827 -9.795 4.344 1.00 0.00 C ATOM 0 HA PRO A 17 10.837 -7.604 5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.958 -8.955 2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.064 -9.147 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.292 -11.060 3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.660 -10.657 5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.218 -9.970 3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.346 -10.319 5.170 1.00 0.00 H new ATOM 283 N HIS A 18 9.386 -6.451 2.718 1.00 0.00 N ATOM 284 CA HIS A 18 9.310 -5.297 1.842 1.00 0.00 C ATOM 285 C HIS A 18 8.957 -4.038 2.627 1.00 0.00 C ATOM 286 O HIS A 18 9.257 -2.924 2.200 1.00 0.00 O ATOM 287 CB HIS A 18 8.269 -5.557 0.762 1.00 0.00 C ATOM 288 CG HIS A 18 8.689 -5.109 -0.604 1.00 0.00 C ATOM 289 ND1 HIS A 18 9.636 -4.223 -0.993 1.00 0.00 N flip ATOM 290 CD2 HIS A 18 8.113 -5.584 -1.763 1.00 0.00 C flip ATOM 291 CE1 HIS A 18 9.614 -4.180 -2.365 1.00 0.00 C flip ATOM 292 NE2 HIS A 18 8.688 -5.010 -2.805 1.00 0.00 N flip ATOM 0 H HIS A 18 8.594 -7.089 2.643 1.00 0.00 H new ATOM 0 HA HIS A 18 10.284 -5.138 1.380 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.049 -6.624 0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.344 -5.048 1.032 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.316 -6.312 -1.812 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.252 -3.566 -2.984 1.00 0.00 H new ATOM 0 HE2 HIS A 18 8.455 -5.180 -3.783 1.00 0.00 H new ATOM 301 N PHE A 19 8.321 -4.222 3.784 1.00 0.00 N ATOM 302 CA PHE A 19 7.933 -3.098 4.629 1.00 0.00 C ATOM 303 C PHE A 19 9.129 -2.186 4.898 1.00 0.00 C ATOM 304 O PHE A 19 8.988 -0.978 5.050 1.00 0.00 O ATOM 305 CB PHE A 19 7.328 -3.609 5.947 1.00 0.00 C ATOM 306 CG PHE A 19 8.298 -3.691 7.098 1.00 0.00 C ATOM 307 CD1 PHE A 19 9.444 -4.467 7.010 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.057 -2.992 8.270 1.00 0.00 C ATOM 309 CE1 PHE A 19 10.330 -4.542 8.067 1.00 0.00 C ATOM 310 CE2 PHE A 19 8.942 -3.062 9.331 1.00 0.00 C ATOM 311 CZ PHE A 19 10.079 -3.839 9.229 1.00 0.00 C ATOM 0 H PHE A 19 8.065 -5.137 4.155 1.00 0.00 H new ATOM 0 HA PHE A 19 7.177 -2.514 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.504 -2.954 6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.904 -4.599 5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.646 -5.019 6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.168 -2.385 8.356 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.219 -5.150 7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.744 -2.510 10.238 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.771 -3.897 10.056 1.00 0.00 H new ATOM 321 N ASP A 20 10.310 -2.773 4.947 1.00 0.00 N ATOM 322 CA ASP A 20 11.524 -2.006 5.192 1.00 0.00 C ATOM 323 C ASP A 20 11.573 -0.765 4.312 1.00 0.00 C ATOM 324 O ASP A 20 11.751 0.347 4.799 1.00 0.00 O ATOM 325 CB ASP A 20 12.750 -2.861 4.920 1.00 0.00 C ATOM 326 CG ASP A 20 13.081 -3.790 6.072 1.00 0.00 C ATOM 327 OD1 ASP A 20 13.575 -3.298 7.108 1.00 0.00 O ATOM 328 OD2 ASP A 20 12.847 -5.009 5.937 1.00 0.00 O ATOM 0 H ASP A 20 10.458 -3.774 4.821 1.00 0.00 H new ATOM 0 HA ASP A 20 11.517 -1.697 6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.584 -3.451 4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.604 -2.213 4.724 1.00 0.00 H new ATOM 333 N LYS A 21 11.420 -0.974 3.014 1.00 0.00 N ATOM 334 CA LYS A 21 11.451 0.117 2.051 1.00 0.00 C ATOM 335 C LYS A 21 10.060 0.688 1.813 1.00 0.00 C ATOM 336 O LYS A 21 9.860 1.903 1.846 1.00 0.00 O ATOM 337 CB LYS A 21 12.049 -0.368 0.729 1.00 0.00 C ATOM 338 CG LYS A 21 13.550 -0.152 0.623 1.00 0.00 C ATOM 339 CD LYS A 21 13.970 0.146 -0.808 1.00 0.00 C ATOM 340 CE LYS A 21 14.581 -1.075 -1.476 1.00 0.00 C ATOM 341 NZ LYS A 21 15.889 -1.445 -0.870 1.00 0.00 N ATOM 0 H LYS A 21 11.272 -1.895 2.601 1.00 0.00 H new ATOM 0 HA LYS A 21 12.075 0.910 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.834 -1.430 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.557 0.150 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.846 0.674 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.073 -1.040 0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.104 0.480 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.691 0.964 -0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.892 -1.916 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.717 -0.877 -2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.446 -1.995 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.410 -0.582 -0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.727 -2.017 -0.017 1.00 0.00 H new ATOM 355 N ILE A 22 9.105 -0.195 1.556 1.00 0.00 N ATOM 356 CA ILE A 22 7.731 0.214 1.291 1.00 0.00 C ATOM 357 C ILE A 22 7.100 0.905 2.493 1.00 0.00 C ATOM 358 O ILE A 22 6.305 1.832 2.336 1.00 0.00 O ATOM 359 CB ILE A 22 6.851 -0.985 0.895 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.543 -1.826 -0.181 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.489 -0.504 0.413 1.00 0.00 C ATOM 362 CD1 ILE A 22 6.664 -2.912 -0.763 1.00 0.00 C ATOM 0 H ILE A 22 9.257 -1.203 1.525 1.00 0.00 H new ATOM 0 HA ILE A 22 7.782 0.919 0.461 1.00 0.00 H new ATOM 0 HB ILE A 22 6.702 -1.614 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.875 -1.169 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.436 -2.283 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.877 -1.362 0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.996 0.051 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.618 0.144 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.222 -3.466 -1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.353 -3.592 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.783 -2.461 -1.220 1.00 0.00 H new ATOM 374 N PHE A 23 7.445 0.452 3.691 1.00 0.00 N ATOM 375 CA PHE A 23 6.889 1.040 4.904 1.00 0.00 C ATOM 376 C PHE A 23 7.678 2.271 5.329 1.00 0.00 C ATOM 377 O PHE A 23 7.104 3.234 5.839 1.00 0.00 O ATOM 378 CB PHE A 23 6.839 0.014 6.041 1.00 0.00 C ATOM 379 CG PHE A 23 5.481 -0.129 6.662 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.010 0.815 7.559 1.00 0.00 C ATOM 381 CD2 PHE A 23 4.678 -1.210 6.346 1.00 0.00 C ATOM 382 CE1 PHE A 23 3.760 0.682 8.131 1.00 0.00 C ATOM 383 CE2 PHE A 23 3.427 -1.351 6.914 1.00 0.00 C ATOM 384 CZ PHE A 23 2.966 -0.403 7.808 1.00 0.00 C ATOM 0 H PHE A 23 8.101 -0.313 3.849 1.00 0.00 H new ATOM 0 HA PHE A 23 5.868 1.351 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.158 -0.955 5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.553 0.303 6.812 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.627 1.664 7.814 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.033 -1.953 5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.403 1.424 8.830 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.810 -2.200 6.660 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.988 -0.509 8.253 1.00 0.00 H new ATOM 394 N GLU A 24 8.991 2.253 5.114 1.00 0.00 N ATOM 395 CA GLU A 24 9.819 3.397 5.482 1.00 0.00 C ATOM 396 C GLU A 24 9.516 4.582 4.577 1.00 0.00 C ATOM 397 O GLU A 24 9.313 5.700 5.047 1.00 0.00 O ATOM 398 CB GLU A 24 11.306 3.047 5.408 1.00 0.00 C ATOM 399 CG GLU A 24 11.817 2.302 6.631 1.00 0.00 C ATOM 400 CD GLU A 24 12.215 3.234 7.759 1.00 0.00 C ATOM 401 OE1 GLU A 24 13.276 3.881 7.648 1.00 0.00 O ATOM 402 OE2 GLU A 24 11.463 3.315 8.754 1.00 0.00 O ATOM 0 H GLU A 24 9.497 1.473 4.694 1.00 0.00 H new ATOM 0 HA GLU A 24 9.582 3.666 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.484 2.438 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.881 3.965 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.044 1.619 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.676 1.693 6.348 1.00 0.00 H new ATOM 409 N LYS A 25 9.473 4.326 3.276 1.00 0.00 N ATOM 410 CA LYS A 25 9.177 5.371 2.307 1.00 0.00 C ATOM 411 C LYS A 25 7.765 5.894 2.526 1.00 0.00 C ATOM 412 O LYS A 25 7.519 7.100 2.473 1.00 0.00 O ATOM 413 CB LYS A 25 9.326 4.841 0.879 1.00 0.00 C ATOM 414 CG LYS A 25 10.678 5.145 0.254 1.00 0.00 C ATOM 415 CD LYS A 25 11.821 4.599 1.098 1.00 0.00 C ATOM 416 CE LYS A 25 12.791 5.697 1.502 1.00 0.00 C ATOM 417 NZ LYS A 25 14.086 5.144 1.986 1.00 0.00 N ATOM 0 H LYS A 25 9.639 3.406 2.869 1.00 0.00 H new ATOM 0 HA LYS A 25 9.887 6.186 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.172 3.762 0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.542 5.273 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.723 4.711 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.792 6.223 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.419 4.121 1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.353 3.830 0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.972 6.353 0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.342 6.308 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.719 5.925 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.917 4.538 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.527 4.582 1.231 1.00 0.00 H new ATOM 431 N HIS A 26 6.844 4.974 2.785 1.00 0.00 N ATOM 432 CA HIS A 26 5.453 5.327 3.028 1.00 0.00 C ATOM 433 C HIS A 26 5.319 6.078 4.345 1.00 0.00 C ATOM 434 O HIS A 26 4.693 7.136 4.410 1.00 0.00 O ATOM 435 CB HIS A 26 4.581 4.071 3.045 1.00 0.00 C ATOM 436 CG HIS A 26 3.119 4.360 3.184 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.479 5.360 2.482 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.167 3.772 3.947 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.199 5.375 2.808 1.00 0.00 C ATOM 440 NE2 HIS A 26 0.985 4.421 3.694 1.00 0.00 N ATOM 0 H HIS A 26 7.038 3.974 2.832 1.00 0.00 H new ATOM 0 HA HIS A 26 5.115 5.976 2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.747 3.511 2.125 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.896 3.431 3.869 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.311 2.946 4.628 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.455 6.052 2.416 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.086 4.201 4.122 1.00 0.00 H new ATOM 449 N ASN A 27 5.915 5.524 5.393 1.00 0.00 N ATOM 450 CA ASN A 27 5.869 6.144 6.713 1.00 0.00 C ATOM 451 C ASN A 27 6.678 7.439 6.738 1.00 0.00 C ATOM 452 O ASN A 27 6.441 8.313 7.572 1.00 0.00 O ATOM 453 CB ASN A 27 6.395 5.177 7.775 1.00 0.00 C ATOM 454 CG ASN A 27 5.954 5.557 9.176 1.00 0.00 C ATOM 455 OD1 ASN A 27 5.138 6.461 9.358 1.00 0.00 O ATOM 456 ND2 ASN A 27 6.492 4.866 10.174 1.00 0.00 N ATOM 0 H ASN A 27 6.436 4.648 5.356 1.00 0.00 H new ATOM 0 HA ASN A 27 4.829 6.384 6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.047 4.169 7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.484 5.155 7.734 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.233 5.076 11.138 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.165 4.125 9.977 1.00 0.00 H new ATOM 463 N GLN A 28 7.625 7.560 5.812 1.00 0.00 N ATOM 464 CA GLN A 28 8.457 8.752 5.722 1.00 0.00 C ATOM 465 C GLN A 28 7.685 9.871 5.039 1.00 0.00 C ATOM 466 O GLN A 28 7.830 11.044 5.384 1.00 0.00 O ATOM 467 CB GLN A 28 9.741 8.450 4.946 1.00 0.00 C ATOM 468 CG GLN A 28 10.659 9.652 4.794 1.00 0.00 C ATOM 469 CD GLN A 28 11.330 10.041 6.097 1.00 0.00 C ATOM 470 OE1 GLN A 28 12.467 9.651 6.365 1.00 0.00 O ATOM 471 NE2 GLN A 28 10.628 10.816 6.916 1.00 0.00 N ATOM 0 H GLN A 28 7.834 6.846 5.114 1.00 0.00 H new ATOM 0 HA GLN A 28 8.727 9.068 6.730 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.283 7.652 5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.478 8.077 3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.423 9.430 4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.084 10.499 4.419 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.689 11.116 6.654 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.028 11.111 7.807 1.00 0.00 H new ATOM 480 N LEU A 29 6.849 9.493 4.078 1.00 0.00 N ATOM 481 CA LEU A 29 6.034 10.455 3.357 1.00 0.00 C ATOM 482 C LEU A 29 5.033 11.089 4.305 1.00 0.00 C ATOM 483 O LEU A 29 4.938 12.312 4.399 1.00 0.00 O ATOM 484 CB LEU A 29 5.308 9.779 2.192 1.00 0.00 C ATOM 485 CG LEU A 29 5.360 10.545 0.869 1.00 0.00 C ATOM 486 CD1 LEU A 29 4.858 11.968 1.056 1.00 0.00 C ATOM 487 CD2 LEU A 29 6.775 10.546 0.310 1.00 0.00 C ATOM 0 H LEU A 29 6.720 8.525 3.782 1.00 0.00 H new ATOM 0 HA LEU A 29 6.682 11.231 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.739 8.790 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.264 9.632 2.469 1.00 0.00 H new ATOM 0 HG LEU A 29 4.708 10.043 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.902 12.497 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.828 11.947 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.483 12.481 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.794 11.095 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.447 11.024 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.099 9.520 0.138 1.00 0.00 H new ATOM 499 N ASP A 30 4.309 10.246 5.033 1.00 0.00 N ATOM 500 CA ASP A 30 3.336 10.730 6.002 1.00 0.00 C ATOM 501 C ASP A 30 4.036 11.609 7.031 1.00 0.00 C ATOM 502 O ASP A 30 3.433 12.511 7.612 1.00 0.00 O ATOM 503 CB ASP A 30 2.634 9.558 6.693 1.00 0.00 C ATOM 504 CG ASP A 30 1.351 9.977 7.382 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.433 10.610 8.456 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.263 9.670 6.850 1.00 0.00 O ATOM 0 H ASP A 30 4.377 9.230 4.971 1.00 0.00 H new ATOM 0 HA ASP A 30 2.580 11.318 5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.412 8.786 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.309 9.115 7.426 1.00 0.00 H new ATOM 511 N ASP A 31 5.326 11.357 7.231 1.00 0.00 N ATOM 512 CA ASP A 31 6.112 12.152 8.161 1.00 0.00 C ATOM 513 C ASP A 31 6.432 13.500 7.526 1.00 0.00 C ATOM 514 O ASP A 31 6.601 14.505 8.217 1.00 0.00 O ATOM 515 CB ASP A 31 7.403 11.422 8.537 1.00 0.00 C ATOM 516 CG ASP A 31 7.891 11.791 9.925 1.00 0.00 C ATOM 517 OD1 ASP A 31 8.157 12.989 10.162 1.00 0.00 O ATOM 518 OD2 ASP A 31 8.007 10.883 10.774 1.00 0.00 O ATOM 0 H ASP A 31 5.844 10.613 6.764 1.00 0.00 H new ATOM 0 HA ASP A 31 5.535 12.309 9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.237 10.346 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.177 11.659 7.807 1.00 0.00 H new ATOM 523 N ASP A 32 6.492 13.510 6.195 1.00 0.00 N ATOM 524 CA ASP A 32 6.766 14.726 5.442 1.00 0.00 C ATOM 525 C ASP A 32 5.471 15.493 5.193 1.00 0.00 C ATOM 526 O ASP A 32 5.477 16.715 5.046 1.00 0.00 O ATOM 527 CB ASP A 32 7.441 14.387 4.111 1.00 0.00 C ATOM 528 CG ASP A 32 8.949 14.516 4.177 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.548 13.995 5.141 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.533 15.137 3.264 1.00 0.00 O ATOM 0 H ASP A 32 6.353 12.682 5.616 1.00 0.00 H new ATOM 0 HA ASP A 32 7.440 15.353 6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.179 13.369 3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.057 15.047 3.334 1.00 0.00 H new ATOM 535 N ILE A 33 4.357 14.765 5.153 1.00 0.00 N ATOM 536 CA ILE A 33 3.056 15.365 4.933 1.00 0.00 C ATOM 537 C ILE A 33 2.537 15.980 6.226 1.00 0.00 C ATOM 538 O ILE A 33 1.871 17.015 6.212 1.00 0.00 O ATOM 539 CB ILE A 33 2.040 14.326 4.393 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.407 13.519 5.533 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.703 13.398 3.384 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.440 12.455 5.057 1.00 0.00 C ATOM 0 H ILE A 33 4.337 13.752 5.272 1.00 0.00 H new ATOM 0 HA ILE A 33 3.169 16.147 4.183 1.00 0.00 H new ATOM 0 HB ILE A 33 1.243 14.873 3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.198 13.046 6.115 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.883 14.201 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.972 12.677 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.086 13.983 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.527 12.869 3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.031 11.924 5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.371 12.924 4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.964 11.750 4.411 1.00 0.00 H new ATOM 554 N LYS A 34 2.863 15.338 7.343 1.00 0.00 N ATOM 555 CA LYS A 34 2.444 15.827 8.647 1.00 0.00 C ATOM 556 C LYS A 34 3.315 16.999 9.070 1.00 0.00 C ATOM 557 O LYS A 34 2.820 17.986 9.614 1.00 0.00 O ATOM 558 CB LYS A 34 2.526 14.716 9.691 1.00 0.00 C ATOM 559 CG LYS A 34 3.920 14.135 9.852 1.00 0.00 C ATOM 560 CD LYS A 34 4.672 14.801 10.993 1.00 0.00 C ATOM 561 CE LYS A 34 4.639 13.951 12.253 1.00 0.00 C ATOM 562 NZ LYS A 34 5.838 13.075 12.364 1.00 0.00 N ATOM 0 H LYS A 34 3.415 14.480 7.369 1.00 0.00 H new ATOM 0 HA LYS A 34 1.408 16.159 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.191 15.106 10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.838 13.917 9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.850 13.063 10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.478 14.262 8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.707 14.974 10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.232 15.777 11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.581 14.600 13.127 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.739 13.336 12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.553 12.081 12.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.520 13.325 11.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.279 13.207 13.297 1.00 0.00 H new ATOM 576 N THR A 35 4.614 16.894 8.801 1.00 0.00 N ATOM 577 CA THR A 35 5.542 17.963 9.143 1.00 0.00 C ATOM 578 C THR A 35 5.220 19.204 8.321 1.00 0.00 C ATOM 579 O THR A 35 5.438 20.333 8.763 1.00 0.00 O ATOM 580 CB THR A 35 6.990 17.525 8.911 1.00 0.00 C ATOM 581 OG1 THR A 35 7.892 18.460 9.478 1.00 0.00 O ATOM 582 CG2 THR A 35 7.349 17.374 7.450 1.00 0.00 C ATOM 0 H THR A 35 5.043 16.086 8.351 1.00 0.00 H new ATOM 0 HA THR A 35 5.431 18.198 10.202 1.00 0.00 H new ATOM 0 HB THR A 35 7.073 16.549 9.389 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.813 18.163 9.321 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.390 17.062 7.361 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.705 16.623 6.993 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.212 18.328 6.941 1.00 0.00 H new ATOM 590 N ALA A 36 4.678 18.982 7.126 1.00 0.00 N ATOM 591 CA ALA A 36 4.298 20.075 6.246 1.00 0.00 C ATOM 592 C ALA A 36 2.946 20.639 6.663 1.00 0.00 C ATOM 593 O ALA A 36 2.638 21.802 6.403 1.00 0.00 O ATOM 594 CB ALA A 36 4.256 19.603 4.799 1.00 0.00 C ATOM 0 H ALA A 36 4.493 18.053 6.748 1.00 0.00 H new ATOM 0 HA ALA A 36 5.045 20.865 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.970 20.433 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.241 19.239 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.527 18.799 4.700 1.00 0.00 H new ATOM 600 N GLU A 37 2.143 19.805 7.325 1.00 0.00 N ATOM 601 CA GLU A 37 0.827 20.224 7.791 1.00 0.00 C ATOM 602 C GLU A 37 0.945 21.011 9.092 1.00 0.00 C ATOM 603 O GLU A 37 0.049 21.775 9.449 1.00 0.00 O ATOM 604 CB GLU A 37 -0.076 19.005 7.993 1.00 0.00 C ATOM 605 CG GLU A 37 -1.080 18.800 6.869 1.00 0.00 C ATOM 606 CD GLU A 37 -2.363 18.150 7.347 1.00 0.00 C ATOM 607 OE1 GLU A 37 -2.285 17.075 7.978 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.447 18.716 7.089 1.00 0.00 O ATOM 0 H GLU A 37 2.383 18.839 7.548 1.00 0.00 H new ATOM 0 HA GLU A 37 0.383 20.870 7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.545 18.114 8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.614 19.114 8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.312 19.763 6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.630 18.181 6.093 1.00 0.00 H new ATOM 615 N GLN A 38 2.057 20.821 9.800 1.00 0.00 N ATOM 616 CA GLN A 38 2.290 21.517 11.060 1.00 0.00 C ATOM 617 C GLN A 38 2.186 23.026 10.873 1.00 0.00 C ATOM 618 O GLN A 38 1.640 23.729 11.722 1.00 0.00 O ATOM 619 CB GLN A 38 3.668 21.158 11.624 1.00 0.00 C ATOM 620 CG GLN A 38 3.803 19.703 12.049 1.00 0.00 C ATOM 621 CD GLN A 38 2.608 19.205 12.840 1.00 0.00 C ATOM 622 OE1 GLN A 38 1.974 19.964 13.575 1.00 0.00 O ATOM 623 NE2 GLN A 38 2.295 17.923 12.694 1.00 0.00 N ATOM 0 H GLN A 38 2.809 20.191 9.521 1.00 0.00 H new ATOM 0 HA GLN A 38 1.523 21.199 11.766 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.426 21.378 10.872 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.876 21.797 12.482 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.930 19.081 11.163 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.704 19.588 12.651 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.848 17.330 12.074 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.502 17.531 13.201 1.00 0.00 H new ATOM 632 N GLN A 39 2.719 23.522 9.759 1.00 0.00 N ATOM 633 CA GLN A 39 2.685 24.952 9.473 1.00 0.00 C ATOM 634 C GLN A 39 1.939 25.239 8.174 1.00 0.00 C ATOM 635 O GLN A 39 1.413 26.336 7.982 1.00 0.00 O ATOM 636 CB GLN A 39 4.107 25.511 9.391 1.00 0.00 C ATOM 637 CG GLN A 39 4.853 25.115 8.125 1.00 0.00 C ATOM 638 CD GLN A 39 5.697 23.870 8.312 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.558 22.917 7.398 1.00 0.00 O flip ATOM 640 NE2 GLN A 39 6.467 23.765 9.267 1.00 0.00 N flip ATOM 0 H GLN A 39 3.177 22.957 9.044 1.00 0.00 H new ATOM 0 HA GLN A 39 2.152 25.442 10.288 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.063 26.599 9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.673 25.167 10.257 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.135 24.946 7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.493 25.940 7.812 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.543 24.522 9.947 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.029 22.921 9.379 1.00 0.00 H new ATOM 649 N ASN A 40 1.913 24.257 7.276 1.00 0.00 N ATOM 650 CA ASN A 40 1.248 24.417 5.991 1.00 0.00 C ATOM 651 C ASN A 40 1.958 25.475 5.158 1.00 0.00 C ATOM 652 O ASN A 40 1.335 26.411 4.657 1.00 0.00 O ATOM 653 CB ASN A 40 -0.217 24.803 6.193 1.00 0.00 C ATOM 654 CG ASN A 40 -1.128 23.593 6.268 1.00 0.00 C ATOM 655 OD1 ASN A 40 -0.949 22.785 7.306 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -1.981 23.389 5.405 1.00 0.00 N flip ATOM 0 H ASN A 40 2.345 23.344 7.417 1.00 0.00 H new ATOM 0 HA ASN A 40 1.288 23.466 5.460 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.314 25.385 7.110 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.537 25.445 5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.082 24.038 4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.587 22.571 5.470 1.00 0.00 H new ATOM 663 N ALA A 41 3.272 25.316 5.021 1.00 0.00 N ATOM 664 CA ALA A 41 4.091 26.252 4.252 1.00 0.00 C ATOM 665 C ALA A 41 3.400 26.668 2.956 1.00 0.00 C ATOM 666 O ALA A 41 3.588 27.784 2.472 1.00 0.00 O ATOM 667 CB ALA A 41 5.450 25.637 3.953 1.00 0.00 C ATOM 0 H ALA A 41 3.795 24.544 5.434 1.00 0.00 H new ATOM 0 HA ALA A 41 4.230 27.149 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.051 26.343 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.958 25.404 4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.316 24.722 3.376 1.00 0.00 H new ATOM 673 N SER A 42 2.595 25.766 2.402 1.00 0.00 N ATOM 674 CA SER A 42 1.873 26.043 1.168 1.00 0.00 C ATOM 675 C SER A 42 0.890 24.921 0.846 1.00 0.00 C ATOM 676 O SER A 42 1.273 23.754 0.764 1.00 0.00 O ATOM 677 CB SER A 42 2.853 26.230 0.008 1.00 0.00 C ATOM 678 OG SER A 42 3.090 27.603 -0.245 1.00 0.00 O ATOM 0 H SER A 42 2.427 24.837 2.789 1.00 0.00 H new ATOM 0 HA SER A 42 1.308 26.965 1.308 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.795 25.732 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.454 25.756 -0.889 1.00 0.00 H new ATOM 0 HG SER A 42 3.323 28.055 0.593 1.00 0.00 H new ATOM 684 N ASP A 43 -0.376 25.284 0.658 1.00 0.00 N ATOM 685 CA ASP A 43 -1.417 24.311 0.339 1.00 0.00 C ATOM 686 C ASP A 43 -0.963 23.397 -0.791 1.00 0.00 C ATOM 687 O ASP A 43 -1.053 22.173 -0.691 1.00 0.00 O ATOM 688 CB ASP A 43 -2.713 25.026 -0.052 1.00 0.00 C ATOM 689 CG ASP A 43 -3.764 24.954 1.039 1.00 0.00 C ATOM 690 OD1 ASP A 43 -4.286 23.847 1.288 1.00 0.00 O ATOM 691 OD2 ASP A 43 -4.065 26.005 1.643 1.00 0.00 O ATOM 0 H ASP A 43 -0.706 26.247 0.721 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.604 23.705 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.496 26.071 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.109 24.581 -0.965 1.00 0.00 H new ATOM 696 N ALA A 44 -0.456 24.004 -1.855 1.00 0.00 N ATOM 697 CA ALA A 44 0.037 23.250 -2.997 1.00 0.00 C ATOM 698 C ALA A 44 1.201 22.361 -2.575 1.00 0.00 C ATOM 699 O ALA A 44 1.424 21.296 -3.147 1.00 0.00 O ATOM 700 CB ALA A 44 0.463 24.193 -4.113 1.00 0.00 C ATOM 0 H ALA A 44 -0.376 25.016 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.767 22.617 -3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.829 23.613 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.390 24.794 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.256 24.849 -3.753 1.00 0.00 H new ATOM 706 N GLU A 45 1.931 22.810 -1.557 1.00 0.00 N ATOM 707 CA GLU A 45 3.067 22.062 -1.037 1.00 0.00 C ATOM 708 C GLU A 45 2.593 20.895 -0.186 1.00 0.00 C ATOM 709 O GLU A 45 3.117 19.785 -0.286 1.00 0.00 O ATOM 710 CB GLU A 45 3.970 22.976 -0.205 1.00 0.00 C ATOM 711 CG GLU A 45 5.420 22.525 -0.163 1.00 0.00 C ATOM 712 CD GLU A 45 6.393 23.680 -0.303 1.00 0.00 C ATOM 713 OE1 GLU A 45 6.531 24.208 -1.426 1.00 0.00 O ATOM 714 OE2 GLU A 45 7.017 24.055 0.712 1.00 0.00 O ATOM 0 H GLU A 45 1.753 23.692 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 45 3.635 21.674 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.924 23.986 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.584 23.025 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.609 22.007 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.597 21.806 -0.963 1.00 0.00 H new ATOM 721 N VAL A 46 1.594 21.152 0.648 1.00 0.00 N ATOM 722 CA VAL A 46 1.046 20.116 1.514 1.00 0.00 C ATOM 723 C VAL A 46 0.197 19.135 0.714 1.00 0.00 C ATOM 724 O VAL A 46 0.064 17.969 1.086 1.00 0.00 O ATOM 725 CB VAL A 46 0.194 20.712 2.651 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.047 19.673 3.736 1.00 0.00 C ATOM 727 CG2 VAL A 46 0.862 21.952 3.229 1.00 0.00 C ATOM 0 H VAL A 46 1.148 22.064 0.743 1.00 0.00 H new ATOM 0 HA VAL A 46 1.894 19.591 1.954 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.771 21.008 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.650 20.111 4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.572 18.818 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.909 19.345 4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.245 22.358 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.842 21.686 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.978 22.701 2.446 1.00 0.00 H new ATOM 737 N SER A 47 -0.372 19.613 -0.390 1.00 0.00 N ATOM 738 CA SER A 47 -1.205 18.774 -1.244 1.00 0.00 C ATOM 739 C SER A 47 -0.351 17.894 -2.146 1.00 0.00 C ATOM 740 O SER A 47 -0.797 16.843 -2.607 1.00 0.00 O ATOM 741 CB SER A 47 -2.144 19.636 -2.089 1.00 0.00 C ATOM 742 OG SER A 47 -3.342 18.941 -2.391 1.00 0.00 O ATOM 0 H SER A 47 -0.271 20.575 -0.713 1.00 0.00 H new ATOM 0 HA SER A 47 -1.802 18.128 -0.600 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.379 20.556 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.644 19.924 -3.014 1.00 0.00 H new ATOM 0 HG SER A 47 -3.926 19.514 -2.931 1.00 0.00 H new ATOM 748 N HIS A 48 0.876 18.326 -2.390 1.00 0.00 N ATOM 749 CA HIS A 48 1.794 17.578 -3.231 1.00 0.00 C ATOM 750 C HIS A 48 2.373 16.392 -2.470 1.00 0.00 C ATOM 751 O HIS A 48 2.590 15.323 -3.039 1.00 0.00 O ATOM 752 CB HIS A 48 2.914 18.495 -3.707 1.00 0.00 C ATOM 753 CG HIS A 48 3.427 18.161 -5.074 1.00 0.00 C ATOM 754 ND1 HIS A 48 4.470 18.836 -5.674 1.00 0.00 N ATOM 755 CD2 HIS A 48 3.035 17.214 -5.961 1.00 0.00 C ATOM 756 CE1 HIS A 48 4.695 18.321 -6.870 1.00 0.00 C ATOM 757 NE2 HIS A 48 3.839 17.335 -7.067 1.00 0.00 N ATOM 0 H HIS A 48 1.259 19.194 -2.016 1.00 0.00 H new ATOM 0 HA HIS A 48 1.249 17.197 -4.095 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.554 19.524 -3.705 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.739 18.445 -2.997 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.239 16.498 -5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.451 18.651 -7.568 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.784 16.757 -7.905 1.00 0.00 H new ATOM 766 N MET A 49 2.613 16.590 -1.179 1.00 0.00 N ATOM 767 CA MET A 49 3.161 15.535 -0.337 1.00 0.00 C ATOM 768 C MET A 49 2.161 14.400 -0.175 1.00 0.00 C ATOM 769 O MET A 49 2.527 13.226 -0.219 1.00 0.00 O ATOM 770 CB MET A 49 3.551 16.089 1.034 1.00 0.00 C ATOM 771 CG MET A 49 4.454 17.310 0.963 1.00 0.00 C ATOM 772 SD MET A 49 6.118 16.986 1.578 1.00 0.00 S ATOM 773 CE MET A 49 6.645 15.687 0.462 1.00 0.00 C ATOM 0 H MET A 49 2.437 17.470 -0.694 1.00 0.00 H new ATOM 0 HA MET A 49 4.054 15.144 -0.825 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.646 16.349 1.583 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.055 15.307 1.602 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.514 17.652 -0.070 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.009 18.119 1.542 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.726 15.563 0.532 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.154 14.752 0.734 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.376 15.954 -0.560 1.00 0.00 H new ATOM 783 N LYS A 50 0.894 14.753 0.003 1.00 0.00 N ATOM 784 CA LYS A 50 -0.151 13.752 0.161 1.00 0.00 C ATOM 785 C LYS A 50 -0.274 12.916 -1.101 1.00 0.00 C ATOM 786 O LYS A 50 -0.527 11.713 -1.037 1.00 0.00 O ATOM 787 CB LYS A 50 -1.492 14.401 0.477 1.00 0.00 C ATOM 788 CG LYS A 50 -1.417 15.468 1.556 1.00 0.00 C ATOM 789 CD LYS A 50 -2.504 15.281 2.603 1.00 0.00 C ATOM 790 CE LYS A 50 -2.004 15.636 3.994 1.00 0.00 C ATOM 791 NZ LYS A 50 -3.103 15.624 4.998 1.00 0.00 N ATOM 0 H LYS A 50 0.568 15.719 0.041 1.00 0.00 H new ATOM 0 HA LYS A 50 0.127 13.109 0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.894 14.846 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.194 13.629 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.439 15.433 2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.514 16.454 1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.362 15.905 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.848 14.247 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.231 14.929 4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.542 16.623 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.721 15.871 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.829 16.317 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.527 14.675 5.037 1.00 0.00 H new ATOM 805 N LYS A 51 -0.077 13.553 -2.252 1.00 0.00 N ATOM 806 CA LYS A 51 -0.150 12.848 -3.523 1.00 0.00 C ATOM 807 C LYS A 51 0.783 11.645 -3.493 1.00 0.00 C ATOM 808 O LYS A 51 0.517 10.618 -4.117 1.00 0.00 O ATOM 809 CB LYS A 51 0.222 13.778 -4.681 1.00 0.00 C ATOM 810 CG LYS A 51 -0.892 14.737 -5.070 1.00 0.00 C ATOM 811 CD LYS A 51 -1.093 14.783 -6.577 1.00 0.00 C ATOM 812 CE LYS A 51 -2.568 14.745 -6.945 1.00 0.00 C ATOM 813 NZ LYS A 51 -3.234 13.504 -6.460 1.00 0.00 N ATOM 0 H LYS A 51 0.133 14.548 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.174 12.507 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.106 14.353 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.491 13.175 -5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.821 14.431 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.657 15.736 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.640 15.690 -6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.580 13.940 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.070 15.615 -6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.673 14.813 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.013 13.254 -7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.544 12.727 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.611 13.663 -5.504 1.00 0.00 H new ATOM 827 N GLN A 52 1.869 11.779 -2.737 1.00 0.00 N ATOM 828 CA GLN A 52 2.835 10.701 -2.591 1.00 0.00 C ATOM 829 C GLN A 52 2.363 9.709 -1.530 1.00 0.00 C ATOM 830 O GLN A 52 2.777 8.552 -1.524 1.00 0.00 O ATOM 831 CB GLN A 52 4.207 11.262 -2.215 1.00 0.00 C ATOM 832 CG GLN A 52 4.970 11.845 -3.392 1.00 0.00 C ATOM 833 CD GLN A 52 5.365 10.793 -4.409 1.00 0.00 C ATOM 834 OE1 GLN A 52 4.944 9.640 -4.322 1.00 0.00 O ATOM 835 NE2 GLN A 52 6.181 11.185 -5.380 1.00 0.00 N ATOM 0 H GLN A 52 2.100 12.625 -2.217 1.00 0.00 H new ATOM 0 HA GLN A 52 2.921 10.181 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.079 12.035 -1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.803 10.469 -1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.356 12.603 -3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.866 12.347 -3.027 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.506 12.151 -5.414 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.483 10.520 -6.092 1.00 0.00 H new ATOM 844 N LYS A 53 1.486 10.172 -0.637 1.00 0.00 N ATOM 845 CA LYS A 53 0.952 9.324 0.421 1.00 0.00 C ATOM 846 C LYS A 53 0.075 8.226 -0.160 1.00 0.00 C ATOM 847 O LYS A 53 0.377 7.039 -0.038 1.00 0.00 O ATOM 848 CB LYS A 53 0.137 10.162 1.400 1.00 0.00 C ATOM 849 CG LYS A 53 0.213 9.669 2.835 1.00 0.00 C ATOM 850 CD LYS A 53 -1.056 9.997 3.605 1.00 0.00 C ATOM 851 CE LYS A 53 -1.970 8.787 3.712 1.00 0.00 C ATOM 852 NZ LYS A 53 -1.713 8.006 4.954 1.00 0.00 N ATOM 0 H LYS A 53 1.133 11.129 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 53 1.790 8.864 0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.487 11.194 1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.905 10.166 1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.376 8.591 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.069 10.124 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.797 10.348 4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.584 10.811 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.009 9.115 3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.826 8.145 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.256 7.105 4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.090 8.550 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.614 7.817 5.438 1.00 0.00 H new ATOM 866 N LEU A 54 -1.010 8.638 -0.800 1.00 0.00 N ATOM 867 CA LEU A 54 -1.940 7.705 -1.418 1.00 0.00 C ATOM 868 C LEU A 54 -1.217 6.861 -2.455 1.00 0.00 C ATOM 869 O LEU A 54 -1.641 5.750 -2.775 1.00 0.00 O ATOM 870 CB LEU A 54 -3.102 8.461 -2.068 1.00 0.00 C ATOM 871 CG LEU A 54 -4.173 7.574 -2.711 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.544 7.881 -2.129 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.181 7.756 -4.222 1.00 0.00 C ATOM 0 H LEU A 54 -1.269 9.619 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.343 7.049 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.576 9.087 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.700 9.129 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.933 6.534 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.290 7.241 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.533 7.697 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.793 8.926 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.948 7.118 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.394 8.798 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.206 7.483 -4.627 1.00 0.00 H new ATOM 885 N LYS A 55 -0.109 7.391 -2.962 1.00 0.00 N ATOM 886 CA LYS A 55 0.690 6.677 -3.947 1.00 0.00 C ATOM 887 C LYS A 55 1.577 5.673 -3.243 1.00 0.00 C ATOM 888 O LYS A 55 1.632 4.503 -3.620 1.00 0.00 O ATOM 889 CB LYS A 55 1.530 7.650 -4.777 1.00 0.00 C ATOM 890 CG LYS A 55 1.895 7.117 -6.152 1.00 0.00 C ATOM 891 CD LYS A 55 2.349 8.233 -7.080 1.00 0.00 C ATOM 892 CE LYS A 55 3.863 8.268 -7.212 1.00 0.00 C ATOM 893 NZ LYS A 55 4.334 9.511 -7.881 1.00 0.00 N ATOM 0 H LYS A 55 0.254 8.310 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 55 0.023 6.150 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.981 8.584 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.445 7.884 -4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.689 6.376 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.034 6.609 -6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.900 8.095 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.994 9.191 -6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.315 8.195 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.198 7.401 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.372 9.496 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.923 9.569 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.037 10.338 -7.325 1.00 0.00 H new ATOM 907 N LEU A 56 2.238 6.127 -2.189 1.00 0.00 N ATOM 908 CA LEU A 56 3.081 5.249 -1.403 1.00 0.00 C ATOM 909 C LEU A 56 2.202 4.316 -0.580 1.00 0.00 C ATOM 910 O LEU A 56 2.686 3.359 0.022 1.00 0.00 O ATOM 911 CB LEU A 56 4.013 6.054 -0.495 1.00 0.00 C ATOM 912 CG LEU A 56 5.351 6.447 -1.126 1.00 0.00 C ATOM 913 CD1 LEU A 56 5.134 7.139 -2.464 1.00 0.00 C ATOM 914 CD2 LEU A 56 6.140 7.343 -0.186 1.00 0.00 C ATOM 0 H LEU A 56 2.206 7.093 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 56 3.705 4.659 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.496 6.961 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.210 5.472 0.405 1.00 0.00 H new ATOM 0 HG LEU A 56 5.926 5.537 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.098 7.409 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.610 6.465 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.538 8.039 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.088 7.613 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.567 8.247 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.331 6.813 0.747 1.00 0.00 H new ATOM 926 N LYS A 57 0.893 4.586 -0.583 1.00 0.00 N ATOM 927 CA LYS A 57 -0.051 3.744 0.133 1.00 0.00 C ATOM 928 C LYS A 57 -0.470 2.596 -0.769 1.00 0.00 C ATOM 929 O LYS A 57 -0.694 1.476 -0.313 1.00 0.00 O ATOM 930 CB LYS A 57 -1.281 4.546 0.567 1.00 0.00 C ATOM 931 CG LYS A 57 -2.403 3.684 1.135 1.00 0.00 C ATOM 932 CD LYS A 57 -2.381 3.673 2.654 1.00 0.00 C ATOM 933 CE LYS A 57 -3.783 3.760 3.234 1.00 0.00 C ATOM 934 NZ LYS A 57 -4.655 2.656 2.747 1.00 0.00 N ATOM 0 H LYS A 57 0.472 5.376 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 57 0.430 3.356 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.981 5.278 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.661 5.104 -0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.365 4.061 0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.305 2.665 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.897 2.761 3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.784 4.510 3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.728 3.726 4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.228 4.719 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.563 2.681 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.825 2.772 1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.188 1.743 2.919 1.00 0.00 H new ATOM 948 N ASP A 58 -0.564 2.893 -2.060 1.00 0.00 N ATOM 949 CA ASP A 58 -0.942 1.900 -3.051 1.00 0.00 C ATOM 950 C ASP A 58 -0.032 0.687 -2.956 1.00 0.00 C ATOM 951 O ASP A 58 -0.473 -0.442 -3.141 1.00 0.00 O ATOM 952 CB ASP A 58 -0.875 2.498 -4.457 1.00 0.00 C ATOM 953 CG ASP A 58 -2.140 3.246 -4.829 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.804 3.781 -3.915 1.00 0.00 O ATOM 955 OD2 ASP A 58 -2.468 3.297 -6.033 1.00 0.00 O ATOM 0 H ASP A 58 -0.382 3.820 -2.444 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.967 1.587 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.024 3.176 -4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.702 1.701 -5.180 1.00 0.00 H new ATOM 960 N GLU A 59 1.241 0.925 -2.652 1.00 0.00 N ATOM 961 CA GLU A 59 2.203 -0.163 -2.522 1.00 0.00 C ATOM 962 C GLU A 59 1.943 -0.955 -1.246 1.00 0.00 C ATOM 963 O GLU A 59 2.012 -2.183 -1.241 1.00 0.00 O ATOM 964 CB GLU A 59 3.634 0.378 -2.526 1.00 0.00 C ATOM 965 CG GLU A 59 3.862 1.517 -1.546 1.00 0.00 C ATOM 966 CD GLU A 59 5.327 1.886 -1.416 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.079 1.685 -2.392 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.721 2.378 -0.338 1.00 0.00 O ATOM 0 H GLU A 59 1.628 1.855 -2.492 1.00 0.00 H new ATOM 0 HA GLU A 59 2.083 -0.828 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.320 -0.435 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.880 0.721 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.298 2.391 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.474 1.234 -0.568 1.00 0.00 H new ATOM 975 N ILE A 60 1.630 -0.243 -0.168 1.00 0.00 N ATOM 976 CA ILE A 60 1.341 -0.878 1.112 1.00 0.00 C ATOM 977 C ILE A 60 0.002 -1.599 1.039 1.00 0.00 C ATOM 978 O ILE A 60 -0.156 -2.686 1.591 1.00 0.00 O ATOM 979 CB ILE A 60 1.329 0.159 2.266 1.00 0.00 C ATOM 980 CG1 ILE A 60 2.762 0.572 2.614 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.611 -0.374 3.507 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.557 -0.509 3.317 1.00 0.00 C ATOM 0 H ILE A 60 1.570 0.775 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 60 2.130 -1.600 1.321 1.00 0.00 H new ATOM 0 HB ILE A 60 0.775 1.032 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.281 0.854 1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.731 1.458 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.626 0.384 4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.422 -0.614 3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.116 -1.272 3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.561 -0.142 3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.062 -0.776 4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.621 -1.388 2.676 1.00 0.00 H new ATOM 994 N HIS A 61 -0.950 -0.991 0.340 1.00 0.00 N ATOM 995 CA HIS A 61 -2.270 -1.588 0.181 1.00 0.00 C ATOM 996 C HIS A 61 -2.220 -2.676 -0.876 1.00 0.00 C ATOM 997 O HIS A 61 -2.861 -3.719 -0.744 1.00 0.00 O ATOM 998 CB HIS A 61 -3.299 -0.522 -0.204 1.00 0.00 C ATOM 999 CG HIS A 61 -4.708 -1.023 -0.202 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.298 -1.621 -1.298 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.651 -1.014 0.770 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.540 -1.956 -0.998 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.778 -1.599 0.250 1.00 0.00 N ATOM 0 H HIS A 61 -0.833 -0.090 -0.123 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.572 -2.029 1.131 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.219 0.316 0.489 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.060 -0.139 -1.196 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.537 -0.620 1.769 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.242 -2.440 -1.661 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.658 -1.736 0.748 1.00 0.00 H new ATOM 1012 N SER A 62 -1.438 -2.432 -1.919 1.00 0.00 N ATOM 1013 CA SER A 62 -1.286 -3.400 -2.994 1.00 0.00 C ATOM 1014 C SER A 62 -0.570 -4.642 -2.485 1.00 0.00 C ATOM 1015 O SER A 62 -0.800 -5.747 -2.978 1.00 0.00 O ATOM 1016 CB SER A 62 -0.510 -2.799 -4.167 1.00 0.00 C ATOM 1017 OG SER A 62 -0.227 -3.780 -5.149 1.00 0.00 O ATOM 0 H SER A 62 -0.901 -1.574 -2.042 1.00 0.00 H new ATOM 0 HA SER A 62 -2.281 -3.676 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.089 -1.990 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.421 -2.363 -3.805 1.00 0.00 H new ATOM 0 HG SER A 62 0.268 -3.369 -5.888 1.00 0.00 H new ATOM 1023 N MET A 63 0.299 -4.464 -1.488 1.00 0.00 N ATOM 1024 CA MET A 63 1.031 -5.589 -0.924 1.00 0.00 C ATOM 1025 C MET A 63 0.065 -6.612 -0.338 1.00 0.00 C ATOM 1026 O MET A 63 0.310 -7.816 -0.396 1.00 0.00 O ATOM 1027 CB MET A 63 2.006 -5.111 0.149 1.00 0.00 C ATOM 1028 CG MET A 63 3.391 -4.788 -0.388 1.00 0.00 C ATOM 1029 SD MET A 63 4.191 -6.213 -1.151 1.00 0.00 S ATOM 1030 CE MET A 63 4.830 -7.057 0.294 1.00 0.00 C ATOM 0 H MET A 63 0.508 -3.561 -1.062 1.00 0.00 H new ATOM 0 HA MET A 63 1.600 -6.063 -1.724 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.596 -4.223 0.631 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.093 -5.879 0.917 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.314 -3.984 -1.120 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.015 -4.419 0.426 1.00 0.00 H new ATOM 0 HE1 MET A 63 4.946 -8.118 0.074 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.798 -6.634 0.564 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.135 -6.933 1.125 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.042 -6.123 0.214 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.050 -6.999 0.795 1.00 0.00 C ATOM 1042 C ILE A 64 -2.684 -7.858 -0.286 1.00 0.00 C ATOM 1043 O ILE A 64 -2.779 -9.074 -0.147 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.143 -6.194 1.518 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.552 -5.514 2.747 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.314 -7.089 1.912 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.296 -4.038 2.545 1.00 0.00 C ATOM 0 H ILE A 64 -1.262 -5.129 0.270 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.553 -7.637 1.525 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.522 -5.433 0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.231 -5.647 3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.616 -6.006 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.072 -6.494 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.746 -7.538 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.962 -7.876 2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.875 -3.614 3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.594 -3.900 1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.234 -3.535 2.310 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.097 -7.219 -1.375 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.697 -7.937 -2.490 1.00 0.00 C ATOM 1061 C ILE A 65 -2.792 -9.084 -2.907 1.00 0.00 C ATOM 1062 O ILE A 65 -3.240 -10.218 -3.078 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.916 -7.010 -3.697 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.747 -5.790 -3.292 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.588 -7.764 -4.837 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -6.060 -6.146 -2.622 1.00 0.00 C ATOM 0 H ILE A 65 -3.027 -6.210 -1.508 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.664 -8.318 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.943 -6.662 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.160 -5.169 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.952 -5.190 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.734 -7.091 -5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.957 -8.599 -5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.554 -8.143 -4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.596 -5.233 -2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.667 -6.741 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.863 -6.720 -1.717 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.506 -8.779 -3.045 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.524 -9.783 -3.413 1.00 0.00 C ATOM 1080 C GLU A 66 -0.422 -10.833 -2.316 1.00 0.00 C ATOM 1081 O GLU A 66 -0.035 -11.975 -2.568 1.00 0.00 O ATOM 1082 CB GLU A 66 0.841 -9.135 -3.651 1.00 0.00 C ATOM 1083 CG GLU A 66 1.089 -8.750 -5.101 1.00 0.00 C ATOM 1084 CD GLU A 66 2.319 -9.421 -5.681 1.00 0.00 C ATOM 1085 OE1 GLU A 66 2.533 -10.618 -5.396 1.00 0.00 O ATOM 1086 OE2 GLU A 66 3.069 -8.750 -6.420 1.00 0.00 O ATOM 0 H GLU A 66 -1.123 -7.844 -2.907 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.844 -10.263 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.924 -8.244 -3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.622 -9.824 -3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.218 -9.018 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.203 -7.668 -5.171 1.00 0.00 H new ATOM 1093 N TYR A 67 -0.787 -10.444 -1.093 1.00 0.00 N ATOM 1094 CA TYR A 67 -0.750 -11.367 0.035 1.00 0.00 C ATOM 1095 C TYR A 67 -2.020 -12.206 0.070 1.00 0.00 C ATOM 1096 O TYR A 67 -1.986 -13.398 0.373 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.592 -10.605 1.351 1.00 0.00 C ATOM 1098 CG TYR A 67 0.261 -11.329 2.369 1.00 0.00 C ATOM 1099 CD1 TYR A 67 1.646 -11.324 2.273 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -0.321 -12.018 3.426 1.00 0.00 C ATOM 1101 CE1 TYR A 67 2.428 -11.984 3.200 1.00 0.00 C ATOM 1102 CE2 TYR A 67 0.454 -12.680 4.358 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.827 -12.660 4.241 1.00 0.00 C ATOM 1104 OH TYR A 67 2.603 -13.320 5.167 1.00 0.00 O ATOM 0 H TYR A 67 -1.108 -9.504 -0.863 1.00 0.00 H new ATOM 0 HA TYR A 67 0.109 -12.026 -0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.150 -9.630 1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.579 -10.425 1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.120 -10.795 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.397 -12.036 3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.504 -11.971 3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.014 -13.211 5.174 1.00 0.00 H new ATOM 0 HH TYR A 67 2.025 -13.744 5.835 1.00 0.00 H new ATOM 1114 N ARG A 68 -3.137 -11.569 -0.258 1.00 0.00 N ATOM 1115 CA ARG A 68 -4.426 -12.243 -0.284 1.00 0.00 C ATOM 1116 C ARG A 68 -4.466 -13.258 -1.422 1.00 0.00 C ATOM 1117 O ARG A 68 -5.156 -14.273 -1.340 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.551 -11.216 -0.442 1.00 0.00 C ATOM 1119 CG ARG A 68 -6.931 -11.833 -0.620 1.00 0.00 C ATOM 1120 CD ARG A 68 -7.469 -12.391 0.688 1.00 0.00 C ATOM 1121 NE ARG A 68 -8.846 -11.971 0.936 1.00 0.00 N ATOM 1122 CZ ARG A 68 -9.189 -10.743 1.317 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -8.261 -9.812 1.496 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -10.465 -10.445 1.518 1.00 0.00 N ATOM 0 H ARG A 68 -3.174 -10.582 -0.511 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.568 -12.774 0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.564 -10.569 0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.333 -10.583 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.619 -11.081 -1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.881 -12.629 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.420 -13.480 0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.835 -12.061 1.511 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.588 -12.659 0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.278 -10.036 1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.531 -8.873 1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.183 -11.157 1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.729 -9.504 1.810 1.00 0.00 H new ATOM 1138 N GLU A 69 -3.707 -12.978 -2.480 1.00 0.00 N ATOM 1139 CA GLU A 69 -3.641 -13.868 -3.631 1.00 0.00 C ATOM 1140 C GLU A 69 -2.692 -15.035 -3.362 1.00 0.00 C ATOM 1141 O GLU A 69 -2.672 -16.012 -4.105 1.00 0.00 O ATOM 1142 CB GLU A 69 -3.188 -13.096 -4.874 1.00 0.00 C ATOM 1143 CG GLU A 69 -4.253 -13.008 -5.955 1.00 0.00 C ATOM 1144 CD GLU A 69 -5.019 -11.701 -5.911 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -4.376 -10.633 -5.988 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -6.263 -11.745 -5.800 1.00 0.00 O ATOM 0 H GLU A 69 -3.130 -12.141 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.638 -14.270 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.896 -12.088 -4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.301 -13.576 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.784 -13.117 -6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.950 -13.838 -5.842 1.00 0.00 H new ATOM 1153 N LYS A 70 -1.919 -14.931 -2.284 1.00 0.00 N ATOM 1154 CA LYS A 70 -0.988 -15.975 -1.898 1.00 0.00 C ATOM 1155 C LYS A 70 -1.687 -16.938 -0.958 1.00 0.00 C ATOM 1156 O LYS A 70 -1.625 -18.150 -1.133 1.00 0.00 O ATOM 1157 CB LYS A 70 0.247 -15.373 -1.222 1.00 0.00 C ATOM 1158 CG LYS A 70 1.188 -16.414 -0.638 1.00 0.00 C ATOM 1159 CD LYS A 70 2.512 -15.796 -0.217 1.00 0.00 C ATOM 1160 CE LYS A 70 2.562 -15.555 1.284 1.00 0.00 C ATOM 1161 NZ LYS A 70 3.707 -14.684 1.668 1.00 0.00 N ATOM 0 H LYS A 70 -1.924 -14.124 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.657 -16.510 -2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.791 -14.770 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.076 -14.700 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.717 -16.889 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.369 -17.197 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.331 -16.454 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.658 -14.853 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.630 -15.093 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.642 -16.510 1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.340 -15.205 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.232 -14.404 0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.350 -13.834 2.149 1.00 0.00 H new ATOM 1175 N GLN A 71 -2.370 -16.377 0.036 1.00 0.00 N ATOM 1176 CA GLN A 71 -3.107 -17.176 1.000 1.00 0.00 C ATOM 1177 C GLN A 71 -4.360 -17.741 0.357 1.00 0.00 C ATOM 1178 O GLN A 71 -4.809 -18.828 0.706 1.00 0.00 O ATOM 1179 CB GLN A 71 -3.474 -16.338 2.226 1.00 0.00 C ATOM 1180 CG GLN A 71 -3.826 -17.172 3.446 1.00 0.00 C ATOM 1181 CD GLN A 71 -4.459 -16.351 4.552 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -5.657 -16.070 4.525 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -3.654 -15.962 5.535 1.00 0.00 N ATOM 0 H GLN A 71 -2.426 -15.371 0.192 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.472 -18.001 1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.638 -15.683 2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.319 -15.696 1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.511 -17.968 3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.924 -17.652 3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.667 -16.218 5.517 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.023 -15.408 6.308 1.00 0.00 H new ATOM 1192 N LYS A 72 -4.915 -17.010 -0.601 1.00 0.00 N ATOM 1193 CA LYS A 72 -6.106 -17.474 -1.294 1.00 0.00 C ATOM 1194 C LYS A 72 -5.724 -18.446 -2.399 1.00 0.00 C ATOM 1195 O LYS A 72 -6.519 -19.289 -2.804 1.00 0.00 O ATOM 1196 CB LYS A 72 -6.905 -16.298 -1.861 1.00 0.00 C ATOM 1197 CG LYS A 72 -8.251 -16.701 -2.442 1.00 0.00 C ATOM 1198 CD LYS A 72 -8.770 -15.658 -3.417 1.00 0.00 C ATOM 1199 CE LYS A 72 -9.717 -16.270 -4.436 1.00 0.00 C ATOM 1200 NZ LYS A 72 -10.981 -16.741 -3.806 1.00 0.00 N ATOM 0 H LYS A 72 -4.564 -16.104 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.741 -17.993 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.065 -15.564 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.315 -15.809 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.157 -17.661 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.971 -16.837 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.285 -14.870 -2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.931 -15.191 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.947 -15.533 -5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.225 -17.106 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.600 -17.152 -4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.764 -17.462 -3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.464 -15.938 -3.354 1.00 0.00 H new ATOM 1214 N SER A 73 -4.489 -18.347 -2.859 1.00 0.00 N ATOM 1215 CA SER A 73 -3.993 -19.249 -3.878 1.00 0.00 C ATOM 1216 C SER A 73 -3.377 -20.451 -3.189 1.00 0.00 C ATOM 1217 O SER A 73 -3.481 -21.583 -3.662 1.00 0.00 O ATOM 1218 CB SER A 73 -2.957 -18.558 -4.752 1.00 0.00 C ATOM 1219 OG SER A 73 -2.403 -19.454 -5.699 1.00 0.00 O ATOM 0 H SER A 73 -3.814 -17.651 -2.542 1.00 0.00 H new ATOM 0 HA SER A 73 -4.815 -19.563 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.418 -17.717 -5.270 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.163 -18.151 -4.126 1.00 0.00 H new ATOM 0 HG SER A 73 -1.742 -18.983 -6.248 1.00 0.00 H new ATOM 1225 N GLU A 74 -2.744 -20.187 -2.048 1.00 0.00 N ATOM 1226 CA GLU A 74 -2.119 -21.241 -1.264 1.00 0.00 C ATOM 1227 C GLU A 74 -3.151 -21.955 -0.394 1.00 0.00 C ATOM 1228 O GLU A 74 -3.199 -23.185 -0.366 1.00 0.00 O ATOM 1229 CB GLU A 74 -1.001 -20.677 -0.386 1.00 0.00 C ATOM 1230 CG GLU A 74 0.201 -20.180 -1.173 1.00 0.00 C ATOM 1231 CD GLU A 74 1.402 -21.098 -1.045 1.00 0.00 C ATOM 1232 OE1 GLU A 74 2.091 -21.033 -0.006 1.00 0.00 O ATOM 1233 OE2 GLU A 74 1.652 -21.883 -1.983 1.00 0.00 O ATOM 0 H GLU A 74 -2.652 -19.253 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.688 -21.961 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.399 -19.856 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.674 -21.448 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.071 -20.088 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.472 -19.183 -0.825 1.00 0.00 H new ATOM 1240 N ARG A 75 -3.983 -21.186 0.312 1.00 0.00 N ATOM 1241 CA ARG A 75 -5.007 -21.776 1.165 1.00 0.00 C ATOM 1242 C ARG A 75 -6.309 -21.953 0.400 1.00 0.00 C ATOM 1243 O ARG A 75 -7.028 -22.931 0.602 1.00 0.00 O ATOM 1244 CB ARG A 75 -5.247 -20.924 2.415 1.00 0.00 C ATOM 1245 CG ARG A 75 -3.982 -20.630 3.205 1.00 0.00 C ATOM 1246 CD ARG A 75 -3.606 -21.791 4.113 1.00 0.00 C ATOM 1247 NE ARG A 75 -3.499 -21.381 5.512 1.00 0.00 N ATOM 1248 CZ ARG A 75 -4.536 -21.291 6.341 1.00 0.00 C ATOM 1249 NH1 ARG A 75 -5.762 -21.577 5.919 1.00 0.00 N ATOM 1250 NH2 ARG A 75 -4.347 -20.914 7.598 1.00 0.00 N ATOM 0 H ARG A 75 -3.966 -20.166 0.308 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.647 -22.755 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.707 -19.981 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.958 -21.437 3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.162 -20.425 2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.127 -19.731 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.354 -22.579 4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.656 -22.214 3.786 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.574 -21.150 5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.914 -21.868 4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.552 -21.506 6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.408 -20.693 7.929 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.141 -20.845 8.234 1.00 0.00 H new ATOM 1264 N ALA A 76 -6.606 -20.998 -0.480 1.00 0.00 N ATOM 1265 CA ALA A 76 -7.833 -21.046 -1.279 1.00 0.00 C ATOM 1266 C ALA A 76 -9.033 -21.493 -0.446 1.00 0.00 C ATOM 1267 O ALA A 76 -9.305 -22.711 -0.407 1.00 0.00 O ATOM 1268 CB ALA A 76 -7.646 -21.969 -2.474 1.00 0.00 C ATOM 1269 OXT ALA A 76 -9.688 -20.619 0.162 1.00 0.00 O ATOM 0 H ALA A 76 -6.018 -20.184 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.037 -20.036 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.565 -21.996 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.830 -21.599 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.409 -22.974 -2.124 1.00 0.00 H new TER 1275 ALA A 76