USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 723 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 62 ASN : amide:sc= 0.983 X(o=1.9,f=1.7) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.875 USER MOD Single : A 1 MET CE :methyl 135:sc= -0.452 (180deg=-4.43!) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.06 (180deg=0.541) USER MOD Single : A 3 GLN : amide:sc= 0.946 K(o=0.95,f=0) USER MOD Single : A 4 TYR OH : rot 124:sc= 1.69 USER MOD Single : A 13 GLN : amide:sc= 0.699 K(o=0.7,f=-8.2!) USER MOD Single : A 19 TYR OH : rot 112:sc= 0.0304 USER MOD Single : A 22 GLN : amide:sc= 0.575 K(o=0.57,f=-3) USER MOD Single : A 23 MET CE :methyl 150:sc= -0.591 (180deg=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0.963 (180deg=0.935) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.1 (180deg=1.1) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0.918 (180deg=0.856) USER MOD Single : A 36 ASN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.18) USER MOD Single : A 55 SER OG : rot 67:sc= 1.26 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -149:sc= 0.954 USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0409) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0304 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -120:sc= 1.06 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -0.443! C(o=-0.44!,f=-5!) USER MOD Single : A 84 HIS : no HE2:sc= 0.643 K(o=0.64,f=-2.6!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.782 -0.148 1.071 1.00 0.00 N ATOM 2 CA MET A 1 1.333 0.128 -0.275 1.00 0.00 C ATOM 3 C MET A 1 1.848 -1.154 -0.932 1.00 0.00 C ATOM 4 O MET A 1 2.271 -2.088 -0.249 1.00 0.00 O ATOM 5 CB MET A 1 2.432 1.202 -0.267 1.00 0.00 C ATOM 6 CG MET A 1 1.865 2.612 -0.485 1.00 0.00 C ATOM 7 SD MET A 1 3.023 3.813 -1.211 1.00 0.00 S ATOM 8 CE MET A 1 3.535 2.931 -2.717 1.00 0.00 C ATOM 0 H1 MET A 1 0.880 0.699 1.667 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.224 -0.400 0.989 1.00 0.00 H new ATOM 0 H3 MET A 1 1.302 -0.938 1.504 1.00 0.00 H new ATOM 0 HA MET A 1 0.506 0.524 -0.865 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.963 1.169 0.684 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.160 0.980 -1.047 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.991 2.538 -1.132 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.520 2.999 0.474 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.521 3.618 -3.563 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.543 2.539 -2.584 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.848 2.107 -2.907 1.00 0.00 H new ATOM 20 N LEU A 2 1.815 -1.191 -2.266 1.00 0.00 N ATOM 21 CA LEU A 2 1.945 -2.366 -3.118 1.00 0.00 C ATOM 22 C LEU A 2 2.604 -1.962 -4.446 1.00 0.00 C ATOM 23 O LEU A 2 2.843 -0.776 -4.696 1.00 0.00 O ATOM 24 CB LEU A 2 0.524 -2.895 -3.399 1.00 0.00 C ATOM 25 CG LEU A 2 0.211 -4.275 -2.810 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.123 -4.253 -1.278 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.089 -4.808 -3.428 1.00 0.00 C ATOM 0 H LEU A 2 1.688 -0.340 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 2 2.555 -3.128 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.197 -2.178 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.376 -2.937 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 2 1.035 -4.943 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.101 -5.255 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.074 -3.919 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.667 -3.569 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.314 -5.790 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.906 -4.122 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.971 -4.891 -4.508 1.00 0.00 H new ATOM 39 N GLN A 3 2.817 -2.950 -5.318 1.00 0.00 N ATOM 40 CA GLN A 3 3.274 -2.819 -6.695 1.00 0.00 C ATOM 41 C GLN A 3 2.401 -3.727 -7.571 1.00 0.00 C ATOM 42 O GLN A 3 2.016 -4.805 -7.112 1.00 0.00 O ATOM 43 CB GLN A 3 4.755 -3.246 -6.755 1.00 0.00 C ATOM 44 CG GLN A 3 5.465 -2.968 -8.092 1.00 0.00 C ATOM 45 CD GLN A 3 6.650 -3.902 -8.362 1.00 0.00 C ATOM 46 OE1 GLN A 3 6.775 -4.468 -9.444 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.542 -4.105 -7.408 1.00 0.00 N ATOM 0 H GLN A 3 2.664 -3.925 -5.060 1.00 0.00 H new ATOM 0 HA GLN A 3 3.191 -1.793 -7.054 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.297 -2.732 -5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.817 -4.314 -6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.744 -3.065 -8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 3 5.817 -1.936 -8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.441 -3.636 -6.508 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.331 -4.730 -7.572 1.00 0.00 H new ATOM 56 N TYR A 4 2.142 -3.342 -8.826 1.00 0.00 N ATOM 57 CA TYR A 4 1.587 -4.233 -9.848 1.00 0.00 C ATOM 58 C TYR A 4 2.613 -4.462 -10.956 1.00 0.00 C ATOM 59 O TYR A 4 3.537 -3.666 -11.148 1.00 0.00 O ATOM 60 CB TYR A 4 0.226 -3.746 -10.405 1.00 0.00 C ATOM 61 CG TYR A 4 0.149 -2.442 -11.207 1.00 0.00 C ATOM 62 CD1 TYR A 4 1.003 -2.170 -12.301 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.875 -1.517 -10.914 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.926 -0.952 -12.990 1.00 0.00 C ATOM 65 CE2 TYR A 4 -0.973 -0.299 -11.612 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.046 0.002 -12.634 1.00 0.00 C ATOM 67 OH TYR A 4 -0.061 1.201 -13.275 1.00 0.00 O ATOM 0 H TYR A 4 2.314 -2.395 -9.162 1.00 0.00 H new ATOM 0 HA TYR A 4 1.374 -5.189 -9.369 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.168 -4.540 -11.039 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.454 -3.647 -9.559 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.725 -2.912 -12.610 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.595 -1.747 -10.142 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.614 -0.745 -13.796 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.755 0.404 -11.367 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.944 1.348 -13.673 1.00 0.00 H new ATOM 77 N ARG A 5 2.370 -5.496 -11.760 1.00 0.00 N ATOM 78 CA ARG A 5 2.942 -5.707 -13.084 1.00 0.00 C ATOM 79 C ARG A 5 1.753 -6.119 -13.938 1.00 0.00 C ATOM 80 O ARG A 5 0.970 -6.971 -13.513 1.00 0.00 O ATOM 81 CB ARG A 5 4.005 -6.820 -13.063 1.00 0.00 C ATOM 82 CG ARG A 5 5.183 -6.527 -12.122 1.00 0.00 C ATOM 83 CD ARG A 5 6.126 -7.735 -12.034 1.00 0.00 C ATOM 84 NE ARG A 5 6.979 -7.671 -10.833 1.00 0.00 N ATOM 85 CZ ARG A 5 6.590 -7.966 -9.582 1.00 0.00 C ATOM 86 NH1 ARG A 5 5.343 -8.351 -9.322 1.00 0.00 N ATOM 87 NH2 ARG A 5 7.443 -7.891 -8.569 1.00 0.00 N ATOM 0 H ARG A 5 1.735 -6.247 -11.489 1.00 0.00 H new ATOM 0 HA ARG A 5 3.448 -4.818 -13.461 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.534 -7.755 -12.761 1.00 0.00 H new ATOM 0 HB3 ARG A 5 4.386 -6.966 -14.074 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.733 -5.657 -12.481 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.808 -6.280 -11.129 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.540 -8.654 -12.016 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.753 -7.774 -12.925 1.00 0.00 H new ATOM 0 HE ARG A 5 7.947 -7.378 -10.964 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.664 -8.426 -10.079 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.066 -8.571 -8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.408 -7.606 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.134 -8.118 -7.624 1.00 0.00 H new ATOM 101 N ILE A 6 1.572 -5.506 -15.098 1.00 0.00 N ATOM 102 CA ILE A 6 0.399 -5.698 -15.942 1.00 0.00 C ATOM 103 C ILE A 6 0.927 -5.843 -17.361 1.00 0.00 C ATOM 104 O ILE A 6 1.867 -5.141 -17.736 1.00 0.00 O ATOM 105 CB ILE A 6 -0.571 -4.497 -15.792 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.111 -4.381 -14.349 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.744 -4.582 -16.789 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.885 -3.089 -14.081 1.00 0.00 C ATOM 0 H ILE A 6 2.248 -4.849 -15.488 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.175 -6.581 -15.662 1.00 0.00 H new ATOM 0 HB ILE A 6 0.006 -3.600 -16.019 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.761 -5.232 -14.145 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.275 -4.444 -13.652 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.401 -3.723 -16.652 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.356 -4.584 -17.808 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.305 -5.500 -16.613 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.232 -3.080 -13.048 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.233 -2.232 -14.252 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.742 -3.032 -14.752 1.00 0.00 H new ATOM 120 N ILE A 7 0.307 -6.715 -18.154 1.00 0.00 N ATOM 121 CA ILE A 7 0.557 -6.835 -19.584 1.00 0.00 C ATOM 122 C ILE A 7 -0.818 -6.850 -20.256 1.00 0.00 C ATOM 123 O ILE A 7 -1.731 -7.522 -19.768 1.00 0.00 O ATOM 124 CB ILE A 7 1.411 -8.080 -19.967 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.888 -9.019 -18.827 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.604 -7.639 -20.831 1.00 0.00 C ATOM 127 CD1 ILE A 7 3.124 -8.565 -18.033 1.00 0.00 C ATOM 0 H ILE A 7 -0.396 -7.369 -17.811 1.00 0.00 H new ATOM 0 HA ILE A 7 1.160 -5.995 -19.927 1.00 0.00 H new ATOM 0 HB ILE A 7 0.710 -8.710 -20.515 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.063 -9.151 -18.127 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.100 -9.997 -19.258 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.201 -8.511 -21.099 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.238 -7.157 -21.738 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.219 -6.936 -20.270 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.356 -9.305 -17.267 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.973 -8.464 -18.709 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.920 -7.604 -17.560 1.00 0.00 H new ATOM 139 N VAL A 8 -0.985 -6.088 -21.337 1.00 0.00 N ATOM 140 CA VAL A 8 -2.272 -5.831 -21.974 1.00 0.00 C ATOM 141 C VAL A 8 -2.101 -5.725 -23.487 1.00 0.00 C ATOM 142 O VAL A 8 -1.091 -5.210 -23.967 1.00 0.00 O ATOM 143 CB VAL A 8 -2.902 -4.534 -21.412 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.598 -4.803 -20.079 1.00 0.00 C ATOM 145 CG2 VAL A 8 -1.922 -3.362 -21.227 1.00 0.00 C ATOM 0 H VAL A 8 -0.207 -5.621 -21.804 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.941 -6.664 -21.756 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.616 -4.227 -22.176 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.033 -3.877 -19.703 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.386 -5.543 -20.223 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.872 -5.181 -19.359 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.457 -2.500 -20.829 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.134 -3.653 -20.532 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.480 -3.102 -22.189 1.00 0.00 H new ATOM 155 N ASP A 9 -3.113 -6.137 -24.243 1.00 0.00 N ATOM 156 CA ASP A 9 -3.209 -5.917 -25.684 1.00 0.00 C ATOM 157 C ASP A 9 -4.650 -5.524 -26.003 1.00 0.00 C ATOM 158 O ASP A 9 -5.558 -5.811 -25.221 1.00 0.00 O ATOM 159 CB ASP A 9 -2.776 -7.167 -26.465 1.00 0.00 C ATOM 160 CG ASP A 9 -2.911 -6.973 -27.984 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.491 -5.913 -28.499 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.426 -7.885 -28.667 1.00 0.00 O ATOM 0 H ASP A 9 -3.910 -6.646 -23.862 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.534 -5.117 -25.989 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.741 -7.407 -26.221 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.382 -8.017 -26.153 1.00 0.00 H new ATOM 167 N GLY A 10 -4.854 -4.816 -27.109 1.00 0.00 N ATOM 168 CA GLY A 10 -6.090 -4.147 -27.472 1.00 0.00 C ATOM 169 C GLY A 10 -5.721 -2.910 -28.279 1.00 0.00 C ATOM 170 O GLY A 10 -4.599 -2.820 -28.793 1.00 0.00 O ATOM 0 H GLY A 10 -4.123 -4.689 -27.809 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.727 -4.810 -28.057 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.652 -3.869 -26.580 1.00 0.00 H new ATOM 174 N ARG A 11 -6.611 -1.914 -28.351 1.00 0.00 N ATOM 175 CA ARG A 11 -6.157 -0.568 -28.694 1.00 0.00 C ATOM 176 C ARG A 11 -5.539 -0.007 -27.424 1.00 0.00 C ATOM 177 O ARG A 11 -6.248 0.568 -26.602 1.00 0.00 O ATOM 178 CB ARG A 11 -7.276 0.315 -29.273 1.00 0.00 C ATOM 179 CG ARG A 11 -6.714 1.690 -29.686 1.00 0.00 C ATOM 180 CD ARG A 11 -7.708 2.478 -30.550 1.00 0.00 C ATOM 181 NE ARG A 11 -8.948 2.827 -29.826 1.00 0.00 N ATOM 182 CZ ARG A 11 -10.149 3.035 -30.382 1.00 0.00 C ATOM 183 NH1 ARG A 11 -10.331 2.915 -31.695 1.00 0.00 N ATOM 184 NH2 ARG A 11 -11.168 3.365 -29.599 1.00 0.00 N ATOM 0 H ARG A 11 -7.613 -2.009 -28.183 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.424 -0.594 -29.500 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.726 -0.176 -30.136 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.066 0.445 -28.533 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.472 2.267 -28.793 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.784 1.551 -30.237 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.230 3.392 -30.903 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.961 1.890 -31.432 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.884 2.918 -28.812 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.548 2.660 -32.297 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.253 3.078 -32.099 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.029 3.456 -28.593 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.090 3.527 -30.003 1.00 0.00 H new ATOM 198 N VAL A 12 -4.239 -0.228 -27.256 1.00 0.00 N ATOM 199 CA VAL A 12 -3.468 0.184 -26.086 1.00 0.00 C ATOM 200 C VAL A 12 -2.199 0.935 -26.520 1.00 0.00 C ATOM 201 O VAL A 12 -1.305 1.138 -25.700 1.00 0.00 O ATOM 202 CB VAL A 12 -3.158 -1.047 -25.192 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.439 -1.698 -24.648 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.326 -2.134 -25.900 1.00 0.00 C ATOM 0 H VAL A 12 -3.674 -0.714 -27.952 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.056 0.878 -25.485 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.564 -0.642 -24.372 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.176 -2.555 -24.028 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.990 -0.972 -24.050 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.061 -2.029 -25.480 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.149 -2.962 -25.213 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.868 -2.496 -26.773 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.371 -1.714 -26.215 1.00 0.00 H new ATOM 214 N GLN A 13 -2.070 1.296 -27.806 1.00 0.00 N ATOM 215 CA GLN A 13 -0.810 1.754 -28.374 1.00 0.00 C ATOM 216 C GLN A 13 -1.034 2.821 -29.443 1.00 0.00 C ATOM 217 O GLN A 13 -1.998 2.752 -30.208 1.00 0.00 O ATOM 218 CB GLN A 13 -0.054 0.534 -28.938 1.00 0.00 C ATOM 219 CG GLN A 13 1.380 0.841 -29.404 1.00 0.00 C ATOM 220 CD GLN A 13 2.194 1.514 -28.307 1.00 0.00 C ATOM 221 OE1 GLN A 13 2.507 2.699 -28.380 1.00 0.00 O ATOM 222 NE2 GLN A 13 2.490 0.806 -27.231 1.00 0.00 N ATOM 0 H GLN A 13 -2.840 1.276 -28.474 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.209 2.223 -27.595 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.017 -0.242 -28.173 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.618 0.128 -29.778 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.871 -0.084 -29.706 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.348 1.486 -30.282 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.226 -0.178 -27.179 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.982 1.243 -26.452 1.00 0.00 H new ATOM 231 N GLY A 14 -0.127 3.798 -29.472 1.00 0.00 N ATOM 232 CA GLY A 14 -0.159 4.987 -30.312 1.00 0.00 C ATOM 233 C GLY A 14 0.093 6.218 -29.442 1.00 0.00 C ATOM 234 O GLY A 14 0.085 6.125 -28.209 1.00 0.00 O ATOM 0 H GLY A 14 0.698 3.775 -28.872 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.598 4.917 -31.093 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.125 5.070 -30.811 1.00 0.00 H new ATOM 238 N VAL A 15 0.288 7.380 -30.067 1.00 0.00 N ATOM 239 CA VAL A 15 0.377 8.655 -29.356 1.00 0.00 C ATOM 240 C VAL A 15 -0.964 8.867 -28.640 1.00 0.00 C ATOM 241 O VAL A 15 -2.023 8.726 -29.256 1.00 0.00 O ATOM 242 CB VAL A 15 0.723 9.797 -30.339 1.00 0.00 C ATOM 243 CG1 VAL A 15 0.887 11.140 -29.611 1.00 0.00 C ATOM 244 CG2 VAL A 15 2.028 9.507 -31.103 1.00 0.00 C ATOM 0 H VAL A 15 0.388 7.463 -31.079 1.00 0.00 H new ATOM 0 HA VAL A 15 1.178 8.649 -28.617 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.110 9.857 -31.039 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.130 11.919 -30.334 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.043 11.394 -29.103 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.691 11.061 -28.879 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.241 10.330 -31.785 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.849 9.402 -30.394 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.919 8.584 -31.672 1.00 0.00 H new ATOM 254 N GLY A 16 -0.934 9.132 -27.330 1.00 0.00 N ATOM 255 CA GLY A 16 -2.121 9.199 -26.478 1.00 0.00 C ATOM 256 C GLY A 16 -2.642 7.803 -26.124 1.00 0.00 C ATOM 257 O GLY A 16 -2.884 7.498 -24.953 1.00 0.00 O ATOM 0 H GLY A 16 -0.066 9.309 -26.824 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.882 9.741 -25.563 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.904 9.761 -26.987 1.00 0.00 H new ATOM 261 N PHE A 17 -2.740 6.921 -27.118 1.00 0.00 N ATOM 262 CA PHE A 17 -3.281 5.581 -26.963 1.00 0.00 C ATOM 263 C PHE A 17 -2.441 4.668 -26.063 1.00 0.00 C ATOM 264 O PHE A 17 -3.035 3.753 -25.497 1.00 0.00 O ATOM 265 CB PHE A 17 -3.531 4.950 -28.336 1.00 0.00 C ATOM 266 CG PHE A 17 -4.668 5.579 -29.119 1.00 0.00 C ATOM 267 CD1 PHE A 17 -6.001 5.260 -28.795 1.00 0.00 C ATOM 268 CD2 PHE A 17 -4.403 6.475 -30.173 1.00 0.00 C ATOM 269 CE1 PHE A 17 -7.061 5.836 -29.516 1.00 0.00 C ATOM 270 CE2 PHE A 17 -5.464 7.052 -30.893 1.00 0.00 C ATOM 271 CZ PHE A 17 -6.793 6.733 -30.566 1.00 0.00 C ATOM 0 H PHE A 17 -2.438 7.127 -28.070 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.232 5.689 -26.441 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.617 5.021 -28.926 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.742 3.889 -28.201 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.209 4.571 -27.990 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.383 6.719 -30.429 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.082 5.590 -29.264 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.257 7.741 -31.698 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.607 7.176 -31.120 1.00 0.00 H new ATOM 281 N ARG A 18 -1.128 4.900 -25.860 1.00 0.00 N ATOM 282 CA ARG A 18 -0.399 4.297 -24.722 1.00 0.00 C ATOM 283 C ARG A 18 -0.397 5.200 -23.484 1.00 0.00 C ATOM 284 O ARG A 18 -0.210 4.712 -22.375 1.00 0.00 O ATOM 285 CB ARG A 18 1.034 3.828 -25.082 1.00 0.00 C ATOM 286 CG ARG A 18 2.155 4.893 -25.061 1.00 0.00 C ATOM 287 CD ARG A 18 3.563 4.288 -24.948 1.00 0.00 C ATOM 288 NE ARG A 18 4.008 3.579 -26.158 1.00 0.00 N ATOM 289 CZ ARG A 18 5.156 2.897 -26.275 1.00 0.00 C ATOM 290 NH1 ARG A 18 5.992 2.780 -25.251 1.00 0.00 N ATOM 291 NH2 ARG A 18 5.451 2.306 -27.422 1.00 0.00 N ATOM 0 H ARG A 18 -0.555 5.493 -26.460 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.961 3.397 -24.471 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.312 3.032 -24.391 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.005 3.389 -26.079 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.096 5.491 -25.970 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.989 5.569 -24.223 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.273 5.084 -24.724 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.584 3.597 -24.106 1.00 0.00 H new ATOM 0 HE ARG A 18 3.394 3.609 -26.972 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.766 3.213 -24.356 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.861 2.257 -25.359 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.806 2.371 -28.210 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.323 1.785 -27.518 1.00 0.00 H new ATOM 305 N TYR A 19 -0.576 6.511 -23.653 1.00 0.00 N ATOM 306 CA TYR A 19 -0.527 7.491 -22.568 1.00 0.00 C ATOM 307 C TYR A 19 -1.707 7.325 -21.603 1.00 0.00 C ATOM 308 O TYR A 19 -1.591 7.704 -20.437 1.00 0.00 O ATOM 309 CB TYR A 19 -0.519 8.909 -23.159 1.00 0.00 C ATOM 310 CG TYR A 19 -0.061 9.997 -22.206 1.00 0.00 C ATOM 311 CD1 TYR A 19 -0.995 10.643 -21.377 1.00 0.00 C ATOM 312 CD2 TYR A 19 1.292 10.383 -22.169 1.00 0.00 C ATOM 313 CE1 TYR A 19 -0.581 11.660 -20.497 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.717 11.396 -21.290 1.00 0.00 C ATOM 315 CZ TYR A 19 0.782 12.039 -20.448 1.00 0.00 C ATOM 316 OH TYR A 19 1.201 13.029 -19.610 1.00 0.00 O ATOM 0 H TYR A 19 -0.762 6.929 -24.565 1.00 0.00 H new ATOM 0 HA TYR A 19 0.387 7.325 -21.998 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.129 8.918 -24.035 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.525 9.149 -23.504 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.036 10.357 -21.416 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.007 9.900 -22.818 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.302 12.151 -19.860 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.758 11.682 -21.259 1.00 0.00 H new ATOM 0 HH TYR A 19 1.761 12.644 -18.903 1.00 0.00 H new ATOM 326 N PHE A 20 -2.836 6.766 -22.060 1.00 0.00 N ATOM 327 CA PHE A 20 -4.047 6.645 -21.242 1.00 0.00 C ATOM 328 C PHE A 20 -3.801 6.064 -19.845 1.00 0.00 C ATOM 329 O PHE A 20 -4.307 6.595 -18.852 1.00 0.00 O ATOM 330 CB PHE A 20 -5.133 5.831 -21.967 1.00 0.00 C ATOM 331 CG PHE A 20 -4.980 4.312 -21.926 1.00 0.00 C ATOM 332 CD1 PHE A 20 -3.931 3.687 -22.622 1.00 0.00 C ATOM 333 CD2 PHE A 20 -5.893 3.509 -21.209 1.00 0.00 C ATOM 334 CE1 PHE A 20 -3.830 2.286 -22.667 1.00 0.00 C ATOM 335 CE2 PHE A 20 -5.806 2.105 -21.264 1.00 0.00 C ATOM 336 CZ PHE A 20 -4.780 1.490 -22.004 1.00 0.00 C ATOM 0 H PHE A 20 -2.934 6.387 -23.002 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.395 7.668 -21.096 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.100 6.089 -21.535 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.156 6.145 -23.011 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.193 4.291 -23.129 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.664 3.975 -20.614 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.022 1.821 -23.211 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.528 1.499 -20.737 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.723 0.413 -22.062 1.00 0.00 H new ATOM 346 N VAL A 21 -2.993 5.007 -19.748 1.00 0.00 N ATOM 347 CA VAL A 21 -2.674 4.408 -18.466 1.00 0.00 C ATOM 348 C VAL A 21 -1.911 5.401 -17.601 1.00 0.00 C ATOM 349 O VAL A 21 -2.208 5.508 -16.420 1.00 0.00 O ATOM 350 CB VAL A 21 -1.936 3.069 -18.644 1.00 0.00 C ATOM 351 CG1 VAL A 21 -2.974 1.979 -18.924 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.875 3.036 -19.749 1.00 0.00 C ATOM 0 H VAL A 21 -2.551 4.553 -20.547 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.600 4.170 -17.942 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.388 2.908 -17.715 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.470 1.021 -19.053 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.668 1.914 -18.086 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.524 2.225 -19.832 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.419 2.047 -19.786 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.342 3.257 -20.709 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.108 3.781 -19.539 1.00 0.00 H new ATOM 362 N GLN A 22 -1.010 6.208 -18.156 1.00 0.00 N ATOM 363 CA GLN A 22 -0.283 7.178 -17.355 1.00 0.00 C ATOM 364 C GLN A 22 -1.177 8.362 -16.958 1.00 0.00 C ATOM 365 O GLN A 22 -0.937 8.956 -15.906 1.00 0.00 O ATOM 366 CB GLN A 22 1.032 7.569 -18.039 1.00 0.00 C ATOM 367 CG GLN A 22 1.918 6.368 -18.449 1.00 0.00 C ATOM 368 CD GLN A 22 2.216 5.329 -17.348 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.325 4.709 -16.778 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.475 5.069 -17.036 1.00 0.00 N ATOM 0 H GLN A 22 -0.770 6.207 -19.147 1.00 0.00 H new ATOM 0 HA GLN A 22 0.005 6.719 -16.409 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.805 8.158 -18.928 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.600 8.212 -17.367 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.435 5.855 -19.281 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.867 6.754 -18.820 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.230 5.574 -17.499 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.691 4.363 -16.332 1.00 0.00 H new ATOM 379 N MET A 23 -2.256 8.649 -17.703 1.00 0.00 N ATOM 380 CA MET A 23 -3.319 9.532 -17.199 1.00 0.00 C ATOM 381 C MET A 23 -3.958 8.924 -15.949 1.00 0.00 C ATOM 382 O MET A 23 -4.028 9.588 -14.917 1.00 0.00 O ATOM 383 CB MET A 23 -4.457 9.800 -18.202 1.00 0.00 C ATOM 384 CG MET A 23 -4.042 10.281 -19.587 1.00 0.00 C ATOM 385 SD MET A 23 -5.417 10.926 -20.591 1.00 0.00 S ATOM 386 CE MET A 23 -6.496 9.473 -20.788 1.00 0.00 C ATOM 0 H MET A 23 -2.415 8.288 -18.644 1.00 0.00 H new ATOM 0 HA MET A 23 -2.820 10.480 -16.996 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.033 8.882 -18.318 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.126 10.544 -17.769 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.288 11.061 -19.479 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.572 9.455 -20.121 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.532 9.799 -20.880 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.207 8.924 -21.684 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.396 8.825 -19.917 1.00 0.00 H new ATOM 396 N GLU A 24 -4.423 7.670 -16.025 1.00 0.00 N ATOM 397 CA GLU A 24 -5.067 6.994 -14.898 1.00 0.00 C ATOM 398 C GLU A 24 -4.097 6.887 -13.716 1.00 0.00 C ATOM 399 O GLU A 24 -4.513 7.068 -12.573 1.00 0.00 O ATOM 400 CB GLU A 24 -5.558 5.595 -15.336 1.00 0.00 C ATOM 401 CG GLU A 24 -6.795 5.647 -16.250 1.00 0.00 C ATOM 402 CD GLU A 24 -8.048 6.099 -15.489 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.290 5.609 -14.362 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.777 6.988 -15.983 1.00 0.00 O ATOM 0 H GLU A 24 -4.362 7.099 -16.868 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.929 7.579 -14.576 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.751 5.080 -15.857 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.793 5.005 -14.450 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.607 6.330 -17.078 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.969 4.662 -16.683 1.00 0.00 H new ATOM 411 N ALA A 25 -2.809 6.653 -13.982 1.00 0.00 N ATOM 412 CA ALA A 25 -1.761 6.581 -12.980 1.00 0.00 C ATOM 413 C ALA A 25 -1.660 7.906 -12.238 1.00 0.00 C ATOM 414 O ALA A 25 -1.753 7.932 -11.014 1.00 0.00 O ATOM 415 CB ALA A 25 -0.417 6.249 -13.644 1.00 0.00 C ATOM 0 H ALA A 25 -2.464 6.505 -14.931 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.007 5.793 -12.269 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.362 6.198 -12.883 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.490 5.288 -14.154 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.167 7.025 -14.367 1.00 0.00 H new ATOM 421 N ASP A 26 -1.509 9.004 -12.979 1.00 0.00 N ATOM 422 CA ASP A 26 -1.377 10.347 -12.417 1.00 0.00 C ATOM 423 C ASP A 26 -2.607 10.699 -11.588 1.00 0.00 C ATOM 424 O ASP A 26 -2.500 11.116 -10.436 1.00 0.00 O ATOM 425 CB ASP A 26 -1.208 11.377 -13.536 1.00 0.00 C ATOM 426 CG ASP A 26 -1.184 12.802 -12.958 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.187 13.178 -12.305 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.160 13.557 -13.165 1.00 0.00 O ATOM 0 H ASP A 26 -1.475 8.985 -13.998 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.495 10.363 -11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.283 11.183 -14.080 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.025 11.282 -14.252 1.00 0.00 H new ATOM 433 N LYS A 27 -3.787 10.444 -12.154 1.00 0.00 N ATOM 434 CA LYS A 27 -5.083 10.657 -11.525 1.00 0.00 C ATOM 435 C LYS A 27 -5.216 9.868 -10.219 1.00 0.00 C ATOM 436 O LYS A 27 -5.868 10.335 -9.284 1.00 0.00 O ATOM 437 CB LYS A 27 -6.136 10.311 -12.592 1.00 0.00 C ATOM 438 CG LYS A 27 -7.601 10.514 -12.189 1.00 0.00 C ATOM 439 CD LYS A 27 -8.291 9.235 -11.689 1.00 0.00 C ATOM 440 CE LYS A 27 -8.496 8.192 -12.794 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.426 8.636 -13.864 1.00 0.00 N ATOM 0 H LYS A 27 -3.865 10.069 -13.099 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.221 11.690 -11.207 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.938 10.915 -13.477 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.001 9.269 -12.881 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.651 11.272 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.153 10.902 -13.045 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.694 8.796 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.258 9.495 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.531 7.952 -13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.879 7.274 -12.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.467 7.913 -14.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.376 8.774 -13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.088 9.533 -14.268 1.00 0.00 H new ATOM 455 N ARG A 28 -4.562 8.710 -10.109 1.00 0.00 N ATOM 456 CA ARG A 28 -4.597 7.833 -8.933 1.00 0.00 C ATOM 457 C ARG A 28 -3.326 7.982 -8.086 1.00 0.00 C ATOM 458 O ARG A 28 -3.127 7.201 -7.158 1.00 0.00 O ATOM 459 CB ARG A 28 -4.850 6.385 -9.404 1.00 0.00 C ATOM 460 CG ARG A 28 -6.271 6.236 -9.972 1.00 0.00 C ATOM 461 CD ARG A 28 -6.463 4.955 -10.785 1.00 0.00 C ATOM 462 NE ARG A 28 -7.672 4.995 -11.633 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.955 4.957 -11.256 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.305 4.925 -9.973 1.00 0.00 N ATOM 465 NH2 ARG A 28 -9.876 4.992 -12.206 1.00 0.00 N ATOM 0 H ARG A 28 -3.975 8.344 -10.858 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.415 8.122 -8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.119 6.112 -10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.713 5.697 -8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.987 6.248 -9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.495 7.096 -10.603 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.588 4.794 -11.414 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.528 4.105 -10.106 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.507 5.060 -12.637 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.587 4.929 -9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.291 4.896 -9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.597 5.046 -13.185 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.865 4.965 -11.959 1.00 0.00 H new ATOM 479 N LYS A 29 -2.486 8.990 -8.363 1.00 0.00 N ATOM 480 CA LYS A 29 -1.210 9.257 -7.691 1.00 0.00 C ATOM 481 C LYS A 29 -0.315 8.003 -7.626 1.00 0.00 C ATOM 482 O LYS A 29 0.444 7.814 -6.674 1.00 0.00 O ATOM 483 CB LYS A 29 -1.438 9.950 -6.326 1.00 0.00 C ATOM 484 CG LYS A 29 -1.911 11.419 -6.394 1.00 0.00 C ATOM 485 CD LYS A 29 -3.331 11.696 -6.918 1.00 0.00 C ATOM 486 CE LYS A 29 -4.421 10.987 -6.099 1.00 0.00 C ATOM 487 NZ LYS A 29 -5.785 11.297 -6.599 1.00 0.00 N ATOM 0 H LYS A 29 -2.689 9.671 -9.095 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.644 9.966 -8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.175 9.375 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.507 9.913 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.837 11.841 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.210 11.967 -7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.515 12.770 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.398 11.375 -7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.258 9.910 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.341 11.287 -5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.491 10.826 -5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.939 12.325 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.882 10.957 -7.577 1.00 0.00 H new ATOM 501 N LEU A 30 -0.404 7.135 -8.637 1.00 0.00 N ATOM 502 CA LEU A 30 0.514 6.021 -8.847 1.00 0.00 C ATOM 503 C LEU A 30 1.817 6.552 -9.453 1.00 0.00 C ATOM 504 O LEU A 30 1.858 7.671 -9.971 1.00 0.00 O ATOM 505 CB LEU A 30 -0.119 4.991 -9.801 1.00 0.00 C ATOM 506 CG LEU A 30 -1.400 4.312 -9.284 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.842 3.248 -10.288 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.196 3.659 -7.917 1.00 0.00 C ATOM 0 H LEU A 30 -1.134 7.192 -9.347 1.00 0.00 H new ATOM 0 HA LEU A 30 0.722 5.537 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.346 5.487 -10.745 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.620 4.219 -10.017 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.163 5.082 -9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.749 2.763 -9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.039 3.717 -11.252 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.053 2.504 -10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.127 3.193 -7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.416 2.901 -7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.899 4.417 -7.192 1.00 0.00 H new ATOM 520 N ALA A 31 2.867 5.730 -9.445 1.00 0.00 N ATOM 521 CA ALA A 31 4.153 6.036 -10.061 1.00 0.00 C ATOM 522 C ALA A 31 4.728 4.739 -10.630 1.00 0.00 C ATOM 523 O ALA A 31 4.713 3.726 -9.931 1.00 0.00 O ATOM 524 CB ALA A 31 5.075 6.629 -8.993 1.00 0.00 C ATOM 0 H ALA A 31 2.844 4.813 -8.999 1.00 0.00 H new ATOM 0 HA ALA A 31 4.048 6.760 -10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.042 6.864 -9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.629 7.539 -8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.211 5.907 -8.188 1.00 0.00 H new ATOM 530 N GLY A 32 5.207 4.746 -11.877 1.00 0.00 N ATOM 531 CA GLY A 32 5.568 3.532 -12.602 1.00 0.00 C ATOM 532 C GLY A 32 5.811 3.784 -14.087 1.00 0.00 C ATOM 533 O GLY A 32 5.541 4.884 -14.570 1.00 0.00 O ATOM 0 H GLY A 32 5.355 5.601 -12.412 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.466 3.102 -12.159 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.773 2.795 -12.488 1.00 0.00 H new ATOM 537 N TRP A 33 6.268 2.775 -14.836 1.00 0.00 N ATOM 538 CA TRP A 33 6.501 2.896 -16.272 1.00 0.00 C ATOM 539 C TRP A 33 5.367 2.274 -17.087 1.00 0.00 C ATOM 540 O TRP A 33 4.651 1.393 -16.599 1.00 0.00 O ATOM 541 CB TRP A 33 7.878 2.334 -16.679 1.00 0.00 C ATOM 542 CG TRP A 33 8.159 0.852 -16.606 1.00 0.00 C ATOM 543 CD1 TRP A 33 7.414 -0.154 -17.130 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.354 0.196 -16.072 1.00 0.00 C ATOM 545 NE1 TRP A 33 8.039 -1.367 -16.925 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.240 -1.212 -16.274 1.00 0.00 C ATOM 547 CE3 TRP A 33 10.543 0.656 -15.464 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.233 -2.116 -15.865 1.00 0.00 C ATOM 549 CZ3 TRP A 33 11.546 -0.241 -15.045 1.00 0.00 C ATOM 550 CH2 TRP A 33 11.390 -1.625 -15.238 1.00 0.00 C ATOM 0 H TRP A 33 6.486 1.852 -14.460 1.00 0.00 H new ATOM 0 HA TRP A 33 6.511 3.961 -16.505 1.00 0.00 H new ATOM 0 HB2 TRP A 33 8.059 2.644 -17.708 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.624 2.833 -16.060 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.468 -0.024 -17.635 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.658 -2.266 -17.220 1.00 0.00 H new ATOM 0 HE3 TRP A 33 10.686 1.716 -15.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.109 -3.176 -16.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.440 0.137 -14.572 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.157 -2.308 -14.905 1.00 0.00 H new ATOM 561 N VAL A 34 5.286 2.672 -18.361 1.00 0.00 N ATOM 562 CA VAL A 34 4.607 1.934 -19.427 1.00 0.00 C ATOM 563 C VAL A 34 5.620 1.707 -20.557 1.00 0.00 C ATOM 564 O VAL A 34 6.473 2.561 -20.815 1.00 0.00 O ATOM 565 CB VAL A 34 3.313 2.657 -19.862 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.571 4.011 -20.534 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.474 1.800 -20.816 1.00 0.00 C ATOM 0 H VAL A 34 5.704 3.543 -18.687 1.00 0.00 H new ATOM 0 HA VAL A 34 4.267 0.957 -19.084 1.00 0.00 H new ATOM 0 HB VAL A 34 2.767 2.829 -18.934 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.621 4.465 -20.814 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.096 4.667 -19.840 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.180 3.864 -21.426 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.573 2.345 -21.098 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.056 1.574 -21.710 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.195 0.870 -20.320 1.00 0.00 H new ATOM 577 N LYS A 35 5.541 0.552 -21.218 1.00 0.00 N ATOM 578 CA LYS A 35 6.501 0.060 -22.207 1.00 0.00 C ATOM 579 C LYS A 35 5.734 -0.793 -23.214 1.00 0.00 C ATOM 580 O LYS A 35 4.667 -1.308 -22.879 1.00 0.00 O ATOM 581 CB LYS A 35 7.532 -0.786 -21.435 1.00 0.00 C ATOM 582 CG LYS A 35 8.676 -1.399 -22.268 1.00 0.00 C ATOM 583 CD LYS A 35 9.643 -2.226 -21.400 1.00 0.00 C ATOM 584 CE LYS A 35 8.928 -3.457 -20.819 1.00 0.00 C ATOM 585 NZ LYS A 35 9.777 -4.278 -19.925 1.00 0.00 N ATOM 0 H LYS A 35 4.768 -0.098 -21.071 1.00 0.00 H new ATOM 0 HA LYS A 35 7.009 0.861 -22.744 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.972 -0.162 -20.657 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.003 -1.596 -20.933 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.256 -2.034 -23.048 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.228 -0.603 -22.767 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.497 -2.543 -21.998 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.033 -1.609 -20.590 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.048 -3.127 -20.266 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.573 -4.080 -21.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.191 -4.997 -19.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.518 -4.747 -20.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.218 -3.667 -19.208 1.00 0.00 H new ATOM 599 N ASN A 36 6.269 -1.014 -24.411 1.00 0.00 N ATOM 600 CA ASN A 36 5.716 -1.974 -25.367 1.00 0.00 C ATOM 601 C ASN A 36 6.688 -3.137 -25.532 1.00 0.00 C ATOM 602 O ASN A 36 7.846 -2.925 -25.901 1.00 0.00 O ATOM 603 CB ASN A 36 5.428 -1.290 -26.707 1.00 0.00 C ATOM 604 CG ASN A 36 4.738 -2.239 -27.680 1.00 0.00 C ATOM 605 OD1 ASN A 36 5.265 -2.556 -28.741 1.00 0.00 O ATOM 606 ND2 ASN A 36 3.543 -2.702 -27.342 1.00 0.00 N ATOM 0 H ASN A 36 7.102 -0.531 -24.749 1.00 0.00 H new ATOM 0 HA ASN A 36 4.770 -2.363 -24.990 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.799 -0.415 -26.543 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.361 -0.934 -27.144 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.045 -3.334 -27.969 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.122 -2.427 -26.455 1.00 0.00 H new ATOM 613 N ARG A 37 6.237 -4.359 -25.231 1.00 0.00 N ATOM 614 CA ARG A 37 7.026 -5.571 -25.443 1.00 0.00 C ATOM 615 C ARG A 37 7.007 -5.891 -26.934 1.00 0.00 C ATOM 616 O ARG A 37 5.992 -5.678 -27.599 1.00 0.00 O ATOM 617 CB ARG A 37 6.447 -6.744 -24.627 1.00 0.00 C ATOM 618 CG ARG A 37 6.667 -6.561 -23.116 1.00 0.00 C ATOM 619 CD ARG A 37 6.104 -7.742 -22.314 1.00 0.00 C ATOM 620 NE ARG A 37 6.538 -7.688 -20.907 1.00 0.00 N ATOM 621 CZ ARG A 37 6.544 -8.697 -20.031 1.00 0.00 C ATOM 622 NH1 ARG A 37 6.085 -9.903 -20.355 1.00 0.00 N ATOM 623 NH2 ARG A 37 7.023 -8.457 -18.818 1.00 0.00 N ATOM 0 H ARG A 37 5.314 -4.533 -24.833 1.00 0.00 H new ATOM 0 HA ARG A 37 8.051 -5.415 -25.108 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.380 -6.834 -24.829 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.912 -7.675 -24.951 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.733 -6.458 -22.913 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.190 -5.638 -22.788 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.015 -7.731 -22.362 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.433 -8.679 -22.763 1.00 0.00 H new ATOM 0 HE ARG A 37 6.869 -6.785 -20.566 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.717 -10.074 -21.291 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.101 -10.656 -19.668 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.370 -7.528 -18.581 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.044 -9.202 -18.121 1.00 0.00 H new ATOM 637 N ASP A 38 8.105 -6.450 -27.443 1.00 0.00 N ATOM 638 CA ASP A 38 8.282 -6.743 -28.868 1.00 0.00 C ATOM 639 C ASP A 38 7.216 -7.707 -29.402 1.00 0.00 C ATOM 640 O ASP A 38 6.852 -7.636 -30.576 1.00 0.00 O ATOM 641 CB ASP A 38 9.680 -7.327 -29.104 1.00 0.00 C ATOM 642 CG ASP A 38 9.904 -7.676 -30.585 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.069 -6.751 -31.411 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.963 -8.879 -30.926 1.00 0.00 O ATOM 0 H ASP A 38 8.907 -6.716 -26.872 1.00 0.00 H new ATOM 0 HA ASP A 38 8.171 -5.805 -29.412 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.434 -6.610 -28.780 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.809 -8.222 -28.495 1.00 0.00 H new ATOM 649 N ASP A 39 6.684 -8.580 -28.538 1.00 0.00 N ATOM 650 CA ASP A 39 5.617 -9.519 -28.892 1.00 0.00 C ATOM 651 C ASP A 39 4.318 -8.806 -29.299 1.00 0.00 C ATOM 652 O ASP A 39 3.557 -9.338 -30.109 1.00 0.00 O ATOM 653 CB ASP A 39 5.345 -10.467 -27.719 1.00 0.00 C ATOM 654 CG ASP A 39 4.275 -11.506 -28.085 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.587 -12.467 -28.826 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.128 -11.380 -27.603 1.00 0.00 O ATOM 0 H ASP A 39 6.986 -8.654 -27.566 1.00 0.00 H new ATOM 0 HA ASP A 39 5.960 -10.086 -29.757 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.267 -10.974 -27.436 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.018 -9.893 -26.852 1.00 0.00 H new ATOM 661 N GLY A 40 4.079 -7.592 -28.784 1.00 0.00 N ATOM 662 CA GLY A 40 3.002 -6.709 -29.215 1.00 0.00 C ATOM 663 C GLY A 40 2.293 -6.043 -28.039 1.00 0.00 C ATOM 664 O GLY A 40 1.917 -4.874 -28.139 1.00 0.00 O ATOM 0 H GLY A 40 4.648 -7.193 -28.037 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.407 -5.941 -29.874 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.278 -7.280 -29.797 1.00 0.00 H new ATOM 668 N ARG A 41 2.114 -6.763 -26.922 1.00 0.00 N ATOM 669 CA ARG A 41 1.423 -6.234 -25.743 1.00 0.00 C ATOM 670 C ARG A 41 2.201 -5.080 -25.115 1.00 0.00 C ATOM 671 O ARG A 41 3.431 -5.030 -25.152 1.00 0.00 O ATOM 672 CB ARG A 41 1.074 -7.316 -24.693 1.00 0.00 C ATOM 673 CG ARG A 41 2.051 -8.488 -24.482 1.00 0.00 C ATOM 674 CD ARG A 41 1.753 -9.702 -25.375 1.00 0.00 C ATOM 675 NE ARG A 41 0.422 -10.289 -25.114 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.134 -11.283 -25.818 1.00 0.00 C ATOM 677 NH1 ARG A 41 0.533 -11.873 -26.805 1.00 0.00 N ATOM 678 NH2 ARG A 41 -1.368 -11.685 -25.528 1.00 0.00 N ATOM 0 H ARG A 41 2.443 -7.722 -26.813 1.00 0.00 H new ATOM 0 HA ARG A 41 0.469 -5.850 -26.103 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.947 -6.815 -23.733 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.106 -7.738 -24.963 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.067 -8.144 -24.677 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.015 -8.798 -23.437 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.815 -9.402 -26.421 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.518 -10.462 -25.216 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.116 -9.907 -24.336 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.480 -11.570 -27.034 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.098 -12.629 -27.334 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.886 -11.237 -24.772 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.796 -12.442 -26.061 1.00 0.00 H new ATOM 692 N VAL A 42 1.469 -4.157 -24.503 1.00 0.00 N ATOM 693 CA VAL A 42 2.004 -3.135 -23.624 1.00 0.00 C ATOM 694 C VAL A 42 2.198 -3.776 -22.251 1.00 0.00 C ATOM 695 O VAL A 42 1.457 -4.681 -21.872 1.00 0.00 O ATOM 696 CB VAL A 42 1.031 -1.934 -23.631 1.00 0.00 C ATOM 697 CG1 VAL A 42 1.178 -0.963 -22.454 1.00 0.00 C ATOM 698 CG2 VAL A 42 1.257 -1.155 -24.933 1.00 0.00 C ATOM 0 H VAL A 42 0.456 -4.101 -24.611 1.00 0.00 H new ATOM 0 HA VAL A 42 2.972 -2.749 -23.944 1.00 0.00 H new ATOM 0 HB VAL A 42 0.028 -2.352 -23.543 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.450 -0.158 -22.554 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.004 -1.496 -21.519 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.184 -0.544 -22.451 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.583 -0.299 -24.967 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.289 -0.806 -24.974 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.060 -1.806 -25.785 1.00 0.00 H new ATOM 708 N GLU A 43 3.181 -3.288 -21.506 1.00 0.00 N ATOM 709 CA GLU A 43 3.496 -3.681 -20.147 1.00 0.00 C ATOM 710 C GLU A 43 3.468 -2.405 -19.309 1.00 0.00 C ATOM 711 O GLU A 43 3.861 -1.335 -19.784 1.00 0.00 O ATOM 712 CB GLU A 43 4.887 -4.337 -20.124 1.00 0.00 C ATOM 713 CG GLU A 43 5.304 -4.899 -18.753 1.00 0.00 C ATOM 714 CD GLU A 43 6.823 -4.846 -18.584 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.522 -5.749 -19.104 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.330 -3.875 -17.983 1.00 0.00 O ATOM 0 H GLU A 43 3.812 -2.568 -21.857 1.00 0.00 H new ATOM 0 HA GLU A 43 2.785 -4.405 -19.749 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.906 -5.145 -20.855 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.627 -3.602 -20.442 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.825 -4.326 -17.959 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.958 -5.928 -18.656 1.00 0.00 H new ATOM 723 N ILE A 44 3.018 -2.517 -18.065 1.00 0.00 N ATOM 724 CA ILE A 44 2.889 -1.426 -17.123 1.00 0.00 C ATOM 725 C ILE A 44 3.434 -1.961 -15.799 1.00 0.00 C ATOM 726 O ILE A 44 3.167 -3.117 -15.452 1.00 0.00 O ATOM 727 CB ILE A 44 1.407 -1.005 -16.968 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.510 -1.233 -18.213 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.363 0.465 -16.513 1.00 0.00 C ATOM 730 CD1 ILE A 44 -0.972 -0.968 -17.937 1.00 0.00 C ATOM 0 H ILE A 44 2.722 -3.411 -17.674 1.00 0.00 H new ATOM 0 HA ILE A 44 3.432 -0.542 -17.458 1.00 0.00 H new ATOM 0 HB ILE A 44 0.974 -1.667 -16.218 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.846 -0.582 -19.020 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.632 -2.259 -18.559 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.326 0.780 -16.398 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.880 0.566 -15.559 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.852 1.092 -17.259 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.548 -1.144 -18.845 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.321 -1.637 -17.150 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.104 0.066 -17.619 1.00 0.00 H new ATOM 742 N LEU A 45 4.163 -1.143 -15.042 1.00 0.00 N ATOM 743 CA LEU A 45 4.720 -1.564 -13.757 1.00 0.00 C ATOM 744 C LEU A 45 4.760 -0.339 -12.867 1.00 0.00 C ATOM 745 O LEU A 45 5.426 0.627 -13.232 1.00 0.00 O ATOM 746 CB LEU A 45 6.118 -2.168 -13.983 1.00 0.00 C ATOM 747 CG LEU A 45 6.769 -2.780 -12.727 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.933 -3.682 -13.160 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.316 -1.741 -11.740 1.00 0.00 C ATOM 0 H LEU A 45 4.383 -0.180 -15.298 1.00 0.00 H new ATOM 0 HA LEU A 45 4.115 -2.334 -13.278 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.045 -2.939 -14.750 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.775 -1.391 -14.374 1.00 0.00 H new ATOM 0 HG LEU A 45 5.983 -3.332 -12.212 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.401 -4.120 -12.279 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.557 -4.477 -13.804 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.669 -3.090 -13.705 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.758 -2.250 -10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.076 -1.135 -12.234 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.504 -1.098 -11.401 1.00 0.00 H new ATOM 761 N ALA A 46 4.050 -0.353 -11.736 1.00 0.00 N ATOM 762 CA ALA A 46 3.906 0.806 -10.865 1.00 0.00 C ATOM 763 C ALA A 46 3.773 0.382 -9.411 1.00 0.00 C ATOM 764 O ALA A 46 3.426 -0.765 -9.131 1.00 0.00 O ATOM 765 CB ALA A 46 2.652 1.598 -11.264 1.00 0.00 C ATOM 0 H ALA A 46 3.556 -1.180 -11.400 1.00 0.00 H new ATOM 0 HA ALA A 46 4.797 1.424 -10.974 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.546 2.465 -10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.746 1.931 -12.297 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.773 0.961 -11.167 1.00 0.00 H new ATOM 771 N GLU A 47 3.964 1.336 -8.501 1.00 0.00 N ATOM 772 CA GLU A 47 3.703 1.209 -7.076 1.00 0.00 C ATOM 773 C GLU A 47 2.651 2.242 -6.660 1.00 0.00 C ATOM 774 O GLU A 47 2.467 3.266 -7.330 1.00 0.00 O ATOM 775 CB GLU A 47 5.004 1.321 -6.255 1.00 0.00 C ATOM 776 CG GLU A 47 5.737 2.665 -6.415 1.00 0.00 C ATOM 777 CD GLU A 47 6.910 2.791 -5.427 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.847 1.965 -5.491 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.886 3.713 -4.579 1.00 0.00 O ATOM 0 H GLU A 47 4.321 2.258 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 47 3.303 0.217 -6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.769 1.171 -5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.677 0.516 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.108 2.758 -7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.036 3.484 -6.255 1.00 0.00 H new ATOM 786 N GLY A 48 1.956 1.968 -5.553 1.00 0.00 N ATOM 787 CA GLY A 48 0.935 2.855 -5.001 1.00 0.00 C ATOM 788 C GLY A 48 0.164 2.197 -3.859 1.00 0.00 C ATOM 789 O GLY A 48 0.496 1.074 -3.463 1.00 0.00 O ATOM 0 H GLY A 48 2.090 1.114 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.405 3.770 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.240 3.143 -5.790 1.00 0.00 H new ATOM 793 N PRO A 49 -0.838 2.879 -3.283 1.00 0.00 N ATOM 794 CA PRO A 49 -1.743 2.265 -2.325 1.00 0.00 C ATOM 795 C PRO A 49 -2.670 1.270 -3.027 1.00 0.00 C ATOM 796 O PRO A 49 -3.004 1.427 -4.205 1.00 0.00 O ATOM 797 CB PRO A 49 -2.489 3.424 -1.659 1.00 0.00 C ATOM 798 CG PRO A 49 -2.464 4.533 -2.709 1.00 0.00 C ATOM 799 CD PRO A 49 -1.179 4.278 -3.502 1.00 0.00 C ATOM 0 HA PRO A 49 -1.222 1.678 -1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.510 3.144 -1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.999 3.737 -0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.343 4.491 -3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.456 5.519 -2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.329 4.481 -4.562 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.376 4.932 -3.163 1.00 0.00 H new ATOM 807 N GLU A 50 -3.106 0.251 -2.284 1.00 0.00 N ATOM 808 CA GLU A 50 -3.866 -0.880 -2.807 1.00 0.00 C ATOM 809 C GLU A 50 -5.087 -0.417 -3.597 1.00 0.00 C ATOM 810 O GLU A 50 -5.268 -0.832 -4.740 1.00 0.00 O ATOM 811 CB GLU A 50 -4.309 -1.822 -1.669 1.00 0.00 C ATOM 812 CG GLU A 50 -3.150 -2.483 -0.913 1.00 0.00 C ATOM 813 CD GLU A 50 -2.568 -1.608 0.209 1.00 0.00 C ATOM 814 OE1 GLU A 50 -1.662 -0.792 -0.077 1.00 0.00 O ATOM 815 OE2 GLU A 50 -3.001 -1.740 1.376 1.00 0.00 O ATOM 0 H GLU A 50 -2.935 0.190 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.206 -1.425 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.915 -1.258 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.948 -2.601 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.496 -3.424 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.357 -2.726 -1.621 1.00 0.00 H new ATOM 822 N ASN A 51 -5.900 0.479 -3.027 1.00 0.00 N ATOM 823 CA ASN A 51 -7.126 0.936 -3.680 1.00 0.00 C ATOM 824 C ASN A 51 -6.831 1.653 -4.997 1.00 0.00 C ATOM 825 O ASN A 51 -7.583 1.485 -5.957 1.00 0.00 O ATOM 826 CB ASN A 51 -7.923 1.859 -2.747 1.00 0.00 C ATOM 827 CG ASN A 51 -9.148 2.429 -3.461 1.00 0.00 C ATOM 828 OD1 ASN A 51 -9.160 3.588 -3.867 1.00 0.00 O ATOM 829 ND2 ASN A 51 -10.191 1.635 -3.642 1.00 0.00 N ATOM 0 H ASN A 51 -5.729 0.901 -2.114 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.723 0.052 -3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.238 1.305 -1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.286 2.674 -2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.020 1.983 -4.124 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.166 0.675 -3.299 1.00 0.00 H new ATOM 836 N ALA A 52 -5.738 2.419 -5.066 1.00 0.00 N ATOM 837 CA ALA A 52 -5.349 3.126 -6.281 1.00 0.00 C ATOM 838 C ALA A 52 -4.943 2.115 -7.351 1.00 0.00 C ATOM 839 O ALA A 52 -5.389 2.220 -8.494 1.00 0.00 O ATOM 840 CB ALA A 52 -4.194 4.082 -5.970 1.00 0.00 C ATOM 0 H ALA A 52 -5.102 2.564 -4.281 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.190 3.709 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.904 4.610 -6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.511 4.803 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.343 3.514 -5.593 1.00 0.00 H new ATOM 846 N LEU A 53 -4.130 1.122 -6.977 1.00 0.00 N ATOM 847 CA LEU A 53 -3.641 0.101 -7.899 1.00 0.00 C ATOM 848 C LEU A 53 -4.798 -0.746 -8.422 1.00 0.00 C ATOM 849 O LEU A 53 -4.906 -0.965 -9.625 1.00 0.00 O ATOM 850 CB LEU A 53 -2.588 -0.781 -7.205 1.00 0.00 C ATOM 851 CG LEU A 53 -1.273 -0.045 -6.881 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.477 -0.889 -5.897 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.390 0.188 -8.110 1.00 0.00 C ATOM 0 H LEU A 53 -3.793 1.006 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.171 0.594 -8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.010 -1.174 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.367 -1.636 -7.844 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.546 0.929 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.458 -0.383 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.058 -1.030 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.260 -1.860 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.519 0.710 -7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.127 -0.771 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.932 0.791 -8.838 1.00 0.00 H new ATOM 865 N GLN A 54 -5.689 -1.200 -7.545 1.00 0.00 N ATOM 866 CA GLN A 54 -6.818 -2.033 -7.936 1.00 0.00 C ATOM 867 C GLN A 54 -7.808 -1.250 -8.801 1.00 0.00 C ATOM 868 O GLN A 54 -8.268 -1.761 -9.819 1.00 0.00 O ATOM 869 CB GLN A 54 -7.514 -2.636 -6.703 1.00 0.00 C ATOM 870 CG GLN A 54 -6.648 -3.634 -5.911 1.00 0.00 C ATOM 871 CD GLN A 54 -6.130 -4.820 -6.731 1.00 0.00 C ATOM 872 OE1 GLN A 54 -6.811 -5.355 -7.603 1.00 0.00 O ATOM 873 NE2 GLN A 54 -4.906 -5.258 -6.474 1.00 0.00 N ATOM 0 H GLN A 54 -5.647 -1.000 -6.546 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.432 -2.857 -8.537 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.815 -1.826 -6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.426 -3.140 -7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.796 -3.101 -5.490 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.231 -4.016 -5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.346 -4.810 -5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.524 -6.043 -7.001 1.00 0.00 H new ATOM 882 N SER A 55 -8.113 -0.004 -8.445 1.00 0.00 N ATOM 883 CA SER A 55 -9.038 0.812 -9.229 1.00 0.00 C ATOM 884 C SER A 55 -8.432 1.170 -10.594 1.00 0.00 C ATOM 885 O SER A 55 -9.155 1.222 -11.587 1.00 0.00 O ATOM 886 CB SER A 55 -9.449 2.063 -8.452 1.00 0.00 C ATOM 887 OG SER A 55 -9.949 1.730 -7.171 1.00 0.00 O ATOM 0 H SER A 55 -7.734 0.462 -7.621 1.00 0.00 H new ATOM 0 HA SER A 55 -9.939 0.227 -9.414 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.591 2.728 -8.349 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.209 2.608 -9.011 1.00 0.00 H new ATOM 0 HG SER A 55 -9.225 1.362 -6.623 1.00 0.00 H new ATOM 893 N PHE A 56 -7.110 1.356 -10.673 1.00 0.00 N ATOM 894 CA PHE A 56 -6.390 1.455 -11.933 1.00 0.00 C ATOM 895 C PHE A 56 -6.602 0.176 -12.746 1.00 0.00 C ATOM 896 O PHE A 56 -6.993 0.277 -13.904 1.00 0.00 O ATOM 897 CB PHE A 56 -4.903 1.740 -11.663 1.00 0.00 C ATOM 898 CG PHE A 56 -4.014 1.707 -12.887 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.643 0.466 -13.445 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.519 2.900 -13.447 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.851 0.418 -14.599 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.677 2.837 -14.565 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.371 1.606 -15.162 1.00 0.00 C ATOM 0 H PHE A 56 -6.510 1.442 -9.852 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.776 2.286 -12.523 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.815 2.721 -11.195 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.533 1.009 -10.944 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.971 -0.452 -12.980 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.786 3.855 -13.019 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.612 -0.532 -15.053 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.259 3.746 -14.971 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.765 1.574 -16.056 1.00 0.00 H new ATOM 913 N VAL A 57 -6.394 -1.015 -12.170 1.00 0.00 N ATOM 914 CA VAL A 57 -6.570 -2.278 -12.891 1.00 0.00 C ATOM 915 C VAL A 57 -7.997 -2.351 -13.452 1.00 0.00 C ATOM 916 O VAL A 57 -8.167 -2.686 -14.625 1.00 0.00 O ATOM 917 CB VAL A 57 -6.213 -3.476 -11.978 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.624 -4.829 -12.578 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.704 -3.541 -11.696 1.00 0.00 C ATOM 0 H VAL A 57 -6.102 -1.128 -11.199 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.886 -2.326 -13.738 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.772 -3.304 -11.058 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.348 -5.630 -11.892 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.702 -4.844 -12.738 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.114 -4.975 -13.530 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.491 -4.394 -11.052 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.163 -3.651 -12.636 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.387 -2.624 -11.200 1.00 0.00 H new ATOM 929 N GLU A 58 -9.008 -1.977 -12.663 1.00 0.00 N ATOM 930 CA GLU A 58 -10.390 -1.934 -13.121 1.00 0.00 C ATOM 931 C GLU A 58 -10.559 -0.949 -14.278 1.00 0.00 C ATOM 932 O GLU A 58 -11.258 -1.261 -15.240 1.00 0.00 O ATOM 933 CB GLU A 58 -11.337 -1.575 -11.965 1.00 0.00 C ATOM 934 CG GLU A 58 -11.447 -2.672 -10.897 1.00 0.00 C ATOM 935 CD GLU A 58 -12.180 -3.924 -11.413 1.00 0.00 C ATOM 936 OE1 GLU A 58 -13.432 -3.948 -11.405 1.00 0.00 O ATOM 937 OE2 GLU A 58 -11.514 -4.905 -11.812 1.00 0.00 O ATOM 0 H GLU A 58 -8.886 -1.697 -11.690 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.650 -2.928 -13.484 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.990 -0.655 -11.494 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.329 -1.372 -12.369 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.448 -2.951 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.975 -2.278 -10.028 1.00 0.00 H new ATOM 944 N ALA A 59 -9.903 0.213 -14.224 1.00 0.00 N ATOM 945 CA ALA A 59 -9.971 1.220 -15.273 1.00 0.00 C ATOM 946 C ALA A 59 -9.387 0.691 -16.589 1.00 0.00 C ATOM 947 O ALA A 59 -9.995 0.882 -17.646 1.00 0.00 O ATOM 948 CB ALA A 59 -9.252 2.491 -14.808 1.00 0.00 C ATOM 0 H ALA A 59 -9.305 0.479 -13.441 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.016 1.462 -15.467 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.303 3.245 -15.593 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.733 2.872 -13.907 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.209 2.261 -14.593 1.00 0.00 H new ATOM 954 N VAL A 60 -8.243 -0.005 -16.539 1.00 0.00 N ATOM 955 CA VAL A 60 -7.654 -0.623 -17.726 1.00 0.00 C ATOM 956 C VAL A 60 -8.603 -1.709 -18.243 1.00 0.00 C ATOM 957 O VAL A 60 -8.978 -1.686 -19.415 1.00 0.00 O ATOM 958 CB VAL A 60 -6.239 -1.182 -17.447 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.563 -1.609 -18.757 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.313 -0.157 -16.779 1.00 0.00 C ATOM 0 H VAL A 60 -7.708 -0.152 -15.683 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.528 0.138 -18.496 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.384 -2.027 -16.774 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.568 -2.000 -18.543 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.161 -2.382 -19.240 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.479 -0.748 -19.421 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.335 -0.607 -16.608 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.204 0.712 -17.428 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.741 0.153 -15.826 1.00 0.00 H new ATOM 970 N LYS A 61 -9.038 -2.630 -17.373 1.00 0.00 N ATOM 971 CA LYS A 61 -9.882 -3.763 -17.747 1.00 0.00 C ATOM 972 C LYS A 61 -11.188 -3.291 -18.388 1.00 0.00 C ATOM 973 O LYS A 61 -11.624 -3.866 -19.384 1.00 0.00 O ATOM 974 CB LYS A 61 -10.129 -4.629 -16.501 1.00 0.00 C ATOM 975 CG LYS A 61 -10.853 -5.944 -16.834 1.00 0.00 C ATOM 976 CD LYS A 61 -10.980 -6.830 -15.589 1.00 0.00 C ATOM 977 CE LYS A 61 -11.709 -8.135 -15.943 1.00 0.00 C ATOM 978 NZ LYS A 61 -11.868 -9.027 -14.767 1.00 0.00 N ATOM 0 H LYS A 61 -8.809 -2.605 -16.379 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.374 -4.368 -18.499 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.175 -4.854 -16.023 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.721 -4.064 -15.781 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.844 -5.727 -17.233 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.306 -6.478 -17.611 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.991 -7.054 -15.190 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.526 -6.299 -14.809 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.691 -7.900 -16.354 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.155 -8.659 -16.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.365 -9.894 -15.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.931 -9.274 -14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.420 -8.539 -14.033 1.00 0.00 H new ATOM 992 N ASN A 62 -11.798 -2.236 -17.842 1.00 0.00 N ATOM 993 CA ASN A 62 -13.018 -1.643 -18.379 1.00 0.00 C ATOM 994 C ASN A 62 -12.773 -0.939 -19.717 1.00 0.00 C ATOM 995 O ASN A 62 -13.711 -0.795 -20.501 1.00 0.00 O ATOM 996 CB ASN A 62 -13.599 -0.640 -17.373 1.00 0.00 C ATOM 997 CG ASN A 62 -14.923 -0.063 -17.868 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.899 -0.787 -18.053 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.997 1.239 -18.086 1.00 0.00 N ATOM 0 H ASN A 62 -11.452 -1.767 -17.005 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.726 -2.453 -18.551 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.751 -1.132 -16.412 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.886 0.168 -17.209 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.871 1.653 -18.411 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.180 1.830 -17.929 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.539 -0.498 -19.994 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.231 0.333 -21.148 1.00 0.00 C ATOM 1008 C GLY A 63 -12.066 1.613 -21.136 1.00 0.00 C ATOM 1009 O GLY A 63 -12.726 1.924 -22.128 1.00 0.00 O ATOM 0 H GLY A 63 -10.727 -0.713 -19.416 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.171 0.586 -21.147 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.425 -0.224 -22.065 1.00 0.00 H new ATOM 1013 N SER A 64 -12.111 2.303 -19.991 1.00 0.00 N ATOM 1014 CA SER A 64 -12.909 3.511 -19.808 1.00 0.00 C ATOM 1015 C SER A 64 -12.626 4.621 -20.850 1.00 0.00 C ATOM 1016 O SER A 64 -13.601 5.169 -21.375 1.00 0.00 O ATOM 1017 CB SER A 64 -12.745 4.026 -18.371 1.00 0.00 C ATOM 1018 OG SER A 64 -12.795 2.950 -17.443 1.00 0.00 O ATOM 0 H SER A 64 -11.587 2.032 -19.159 1.00 0.00 H new ATOM 0 HA SER A 64 -13.949 3.232 -19.979 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.796 4.552 -18.274 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.533 4.745 -18.145 1.00 0.00 H new ATOM 0 HG SER A 64 -12.687 3.298 -16.533 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.363 4.986 -21.169 1.00 0.00 N ATOM 1025 CA PRO A 65 -11.064 6.025 -22.155 1.00 0.00 C ATOM 1026 C PRO A 65 -11.117 5.469 -23.594 1.00 0.00 C ATOM 1027 O PRO A 65 -11.682 4.406 -23.858 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.682 6.553 -21.744 1.00 0.00 C ATOM 1029 CG PRO A 65 -8.990 5.305 -21.216 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.121 4.520 -20.559 1.00 0.00 C ATOM 0 HA PRO A 65 -11.798 6.831 -22.165 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.146 6.986 -22.589 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.755 7.329 -20.982 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.521 4.736 -22.019 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.206 5.553 -20.501 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.991 3.449 -20.715 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.133 4.686 -19.482 1.00 0.00 H new ATOM 1038 N PHE A 66 -10.542 6.211 -24.546 1.00 0.00 N ATOM 1039 CA PHE A 66 -10.430 5.834 -25.954 1.00 0.00 C ATOM 1040 C PHE A 66 -9.653 4.522 -26.169 1.00 0.00 C ATOM 1041 O PHE A 66 -9.947 3.795 -27.121 1.00 0.00 O ATOM 1042 CB PHE A 66 -9.799 7.004 -26.735 1.00 0.00 C ATOM 1043 CG PHE A 66 -8.646 7.708 -26.028 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -7.374 7.109 -25.963 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -8.863 8.940 -25.380 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -6.338 7.724 -25.241 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -7.821 9.561 -24.665 1.00 0.00 C ATOM 1048 CZ PHE A 66 -6.557 8.950 -24.593 1.00 0.00 C ATOM 0 H PHE A 66 -10.128 7.122 -24.348 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.433 5.637 -26.334 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.442 6.629 -27.694 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.576 7.738 -26.949 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.194 6.173 -26.470 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -9.834 9.411 -25.432 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.368 7.252 -25.184 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.993 10.506 -24.172 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.757 9.422 -24.041 1.00 0.00 H new ATOM 1058 N SER A 67 -8.675 4.200 -25.322 1.00 0.00 N ATOM 1059 CA SER A 67 -7.970 2.924 -25.366 1.00 0.00 C ATOM 1060 C SER A 67 -8.787 1.858 -24.629 1.00 0.00 C ATOM 1061 O SER A 67 -9.416 2.156 -23.609 1.00 0.00 O ATOM 1062 CB SER A 67 -6.600 3.091 -24.710 1.00 0.00 C ATOM 1063 OG SER A 67 -5.833 4.051 -25.412 1.00 0.00 O ATOM 0 H SER A 67 -8.350 4.823 -24.583 1.00 0.00 H new ATOM 0 HA SER A 67 -7.838 2.607 -26.400 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.722 3.401 -23.672 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.076 2.135 -24.698 1.00 0.00 H new ATOM 0 HG SER A 67 -4.882 3.826 -25.340 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.755 0.607 -25.105 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.422 -0.517 -24.445 1.00 0.00 C ATOM 1071 C LYS A 68 -8.646 -1.800 -24.691 1.00 0.00 C ATOM 1072 O LYS A 68 -8.029 -1.963 -25.747 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.907 -0.634 -24.857 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.248 -1.350 -26.177 1.00 0.00 C ATOM 1075 CD LYS A 68 -10.673 -0.691 -27.439 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.172 -1.357 -28.734 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.621 -1.143 -28.984 1.00 0.00 N ATOM 0 H LYS A 68 -8.264 0.348 -25.961 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.429 -0.331 -23.371 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.434 -1.149 -24.054 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.317 0.375 -24.911 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.882 -2.375 -26.122 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.332 -1.403 -26.275 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.945 0.364 -27.449 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.585 -0.739 -27.406 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.603 -0.966 -29.578 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.973 -2.428 -28.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.873 -1.527 -29.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.175 -1.627 -28.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.831 -0.125 -28.961 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.692 -2.713 -23.726 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.038 -4.006 -23.834 1.00 0.00 C ATOM 1093 C VAL A 69 -8.956 -5.005 -24.540 1.00 0.00 C ATOM 1094 O VAL A 69 -10.183 -4.885 -24.498 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.598 -4.511 -22.444 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.577 -3.544 -21.837 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.745 -4.713 -21.441 1.00 0.00 C ATOM 0 H VAL A 69 -9.187 -2.573 -22.845 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.137 -3.899 -24.439 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.164 -5.495 -22.620 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.271 -3.907 -20.856 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.705 -3.479 -22.488 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.027 -2.557 -21.734 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.341 -5.069 -20.493 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.261 -3.766 -21.283 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.447 -5.448 -21.835 1.00 0.00 H new ATOM 1107 N THR A 70 -8.344 -6.030 -25.120 1.00 0.00 N ATOM 1108 CA THR A 70 -8.976 -7.259 -25.573 1.00 0.00 C ATOM 1109 C THR A 70 -8.262 -8.479 -24.949 1.00 0.00 C ATOM 1110 O THR A 70 -8.771 -9.598 -25.033 1.00 0.00 O ATOM 1111 CB THR A 70 -9.010 -7.275 -27.117 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.716 -7.086 -27.663 1.00 0.00 O ATOM 1113 CG2 THR A 70 -9.900 -6.157 -27.682 1.00 0.00 C ATOM 0 H THR A 70 -7.339 -6.024 -25.296 1.00 0.00 H new ATOM 0 HA THR A 70 -10.011 -7.312 -25.236 1.00 0.00 H new ATOM 0 HB THR A 70 -9.409 -8.251 -27.393 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.768 -7.102 -28.641 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.896 -6.204 -28.771 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.919 -6.284 -27.317 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.517 -5.189 -27.359 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.122 -8.275 -24.271 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.385 -9.265 -23.487 1.00 0.00 C ATOM 1123 C ASP A 71 -5.681 -8.520 -22.350 1.00 0.00 C ATOM 1124 O ASP A 71 -5.201 -7.402 -22.556 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.347 -9.965 -24.374 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.372 -10.828 -23.557 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.835 -11.732 -22.826 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.143 -10.629 -23.683 1.00 0.00 O ATOM 0 H ASP A 71 -6.668 -7.362 -24.258 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.061 -10.022 -23.090 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.859 -10.591 -25.105 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.786 -9.217 -24.933 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.636 -9.109 -21.153 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.070 -8.499 -19.954 1.00 0.00 C ATOM 1135 C ILE A 72 -4.576 -9.609 -19.017 1.00 0.00 C ATOM 1136 O ILE A 72 -5.231 -10.649 -18.881 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.111 -7.550 -19.293 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.552 -6.925 -17.991 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.483 -8.207 -19.038 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.294 -5.657 -17.541 1.00 0.00 C ATOM 0 H ILE A 72 -6.002 -10.047 -20.990 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.210 -7.877 -20.204 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.287 -6.758 -20.021 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.602 -7.666 -17.193 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.499 -6.685 -18.138 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.153 -7.482 -18.576 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.908 -8.542 -19.984 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.359 -9.062 -18.373 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.844 -5.279 -16.623 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.222 -4.898 -18.320 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.343 -5.894 -17.361 1.00 0.00 H new ATOM 1152 N SER A 73 -3.448 -9.365 -18.350 1.00 0.00 N ATOM 1153 CA SER A 73 -2.861 -10.210 -17.318 1.00 0.00 C ATOM 1154 C SER A 73 -2.262 -9.286 -16.252 1.00 0.00 C ATOM 1155 O SER A 73 -1.752 -8.213 -16.587 1.00 0.00 O ATOM 1156 CB SER A 73 -1.769 -11.101 -17.933 1.00 0.00 C ATOM 1157 OG SER A 73 -2.254 -11.876 -19.022 1.00 0.00 O ATOM 0 H SER A 73 -2.892 -8.528 -18.527 1.00 0.00 H new ATOM 0 HA SER A 73 -3.614 -10.861 -16.873 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.943 -10.477 -18.274 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.371 -11.765 -17.166 1.00 0.00 H new ATOM 0 HG SER A 73 -1.527 -12.425 -19.382 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.331 -9.686 -14.979 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.962 -8.861 -13.831 1.00 0.00 C ATOM 1165 C VAL A 74 -1.243 -9.751 -12.809 1.00 0.00 C ATOM 1166 O VAL A 74 -1.651 -10.892 -12.577 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.231 -8.215 -13.217 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.897 -7.273 -12.047 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.062 -7.437 -14.253 1.00 0.00 C ATOM 0 H VAL A 74 -2.654 -10.617 -14.714 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.295 -8.055 -14.137 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.823 -9.053 -12.848 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.818 -6.845 -11.650 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.390 -7.834 -11.262 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.247 -6.472 -12.399 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.938 -7.006 -13.768 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.455 -6.639 -14.681 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.382 -8.114 -15.045 1.00 0.00 H new ATOM 1179 N THR A 75 -0.200 -9.209 -12.182 1.00 0.00 N ATOM 1180 CA THR A 75 0.519 -9.771 -11.043 1.00 0.00 C ATOM 1181 C THR A 75 0.754 -8.609 -10.061 1.00 0.00 C ATOM 1182 O THR A 75 0.750 -7.444 -10.472 1.00 0.00 O ATOM 1183 CB THR A 75 1.836 -10.415 -11.535 1.00 0.00 C ATOM 1184 OG1 THR A 75 1.627 -11.228 -12.679 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.510 -11.294 -10.475 1.00 0.00 C ATOM 0 H THR A 75 0.188 -8.312 -12.474 1.00 0.00 H new ATOM 0 HA THR A 75 -0.039 -10.561 -10.540 1.00 0.00 H new ATOM 0 HB THR A 75 2.483 -9.570 -11.770 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.480 -11.618 -12.964 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.429 -11.716 -10.883 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.746 -10.691 -9.598 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.835 -12.101 -10.189 1.00 0.00 H new ATOM 1193 N GLU A 76 0.969 -8.885 -8.774 1.00 0.00 N ATOM 1194 CA GLU A 76 1.226 -7.864 -7.763 1.00 0.00 C ATOM 1195 C GLU A 76 2.241 -8.375 -6.738 1.00 0.00 C ATOM 1196 O GLU A 76 2.433 -9.589 -6.609 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.103 -7.398 -7.136 1.00 0.00 C ATOM 1198 CG GLU A 76 -0.956 -8.472 -6.430 1.00 0.00 C ATOM 1199 CD GLU A 76 -0.422 -8.948 -5.066 1.00 0.00 C ATOM 1200 OE1 GLU A 76 0.235 -8.171 -4.340 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -0.726 -10.094 -4.661 1.00 0.00 O ATOM 0 H GLU A 76 0.969 -9.835 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 76 1.677 -6.985 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.120 -6.613 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.709 -6.946 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.963 -8.078 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.041 -9.336 -7.089 1.00 0.00 H new ATOM 1208 N SER A 77 2.883 -7.447 -6.027 1.00 0.00 N ATOM 1209 CA SER A 77 3.835 -7.720 -4.957 1.00 0.00 C ATOM 1210 C SER A 77 3.673 -6.657 -3.872 1.00 0.00 C ATOM 1211 O SER A 77 3.329 -5.507 -4.155 1.00 0.00 O ATOM 1212 CB SER A 77 5.272 -7.690 -5.501 1.00 0.00 C ATOM 1213 OG SER A 77 5.473 -8.663 -6.513 1.00 0.00 O ATOM 0 H SER A 77 2.747 -6.449 -6.189 1.00 0.00 H new ATOM 0 HA SER A 77 3.642 -8.710 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.488 -6.699 -5.901 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.973 -7.864 -4.685 1.00 0.00 H new ATOM 0 HG SER A 77 6.181 -9.282 -6.236 1.00 0.00 H new ATOM 1219 N ARG A 78 3.990 -7.009 -2.625 1.00 0.00 N ATOM 1220 CA ARG A 78 3.902 -6.114 -1.465 1.00 0.00 C ATOM 1221 C ARG A 78 5.211 -5.324 -1.311 1.00 0.00 C ATOM 1222 O ARG A 78 5.669 -5.090 -0.190 1.00 0.00 O ATOM 1223 CB ARG A 78 3.540 -6.930 -0.197 1.00 0.00 C ATOM 1224 CG ARG A 78 2.483 -8.040 -0.378 1.00 0.00 C ATOM 1225 CD ARG A 78 1.132 -7.520 -0.886 1.00 0.00 C ATOM 1226 NE ARG A 78 0.366 -8.553 -1.598 1.00 0.00 N ATOM 1227 CZ ARG A 78 -0.342 -9.560 -1.080 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -0.449 -9.719 0.238 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -0.940 -10.410 -1.905 1.00 0.00 N ATOM 0 H ARG A 78 4.322 -7.943 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 78 3.106 -5.384 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.452 -7.385 0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.182 -6.238 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.864 -8.783 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.333 -8.547 0.575 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.546 -7.154 -0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.299 -6.672 -1.551 1.00 0.00 H new ATOM 0 HE ARG A 78 0.377 -8.493 -2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.014 -9.066 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.994 -10.494 0.616 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.854 -10.287 -2.914 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.486 -11.186 -1.530 1.00 0.00 H new ATOM 1243 N SER A 79 5.842 -4.962 -2.431 1.00 0.00 N ATOM 1244 CA SER A 79 7.246 -4.612 -2.501 1.00 0.00 C ATOM 1245 C SER A 79 7.410 -3.420 -3.439 1.00 0.00 C ATOM 1246 O SER A 79 7.260 -3.549 -4.655 1.00 0.00 O ATOM 1247 CB SER A 79 8.060 -5.828 -2.974 1.00 0.00 C ATOM 1248 OG SER A 79 7.762 -6.979 -2.194 1.00 0.00 O ATOM 0 H SER A 79 5.370 -4.906 -3.333 1.00 0.00 H new ATOM 0 HA SER A 79 7.620 -4.329 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.842 -6.029 -4.023 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.125 -5.605 -2.907 1.00 0.00 H new ATOM 0 HG SER A 79 8.291 -7.738 -2.516 1.00 0.00 H new ATOM 1254 N LEU A 80 7.677 -2.250 -2.861 1.00 0.00 N ATOM 1255 CA LEU A 80 7.985 -1.018 -3.585 1.00 0.00 C ATOM 1256 C LEU A 80 9.252 -1.205 -4.427 1.00 0.00 C ATOM 1257 O LEU A 80 10.060 -2.103 -4.169 1.00 0.00 O ATOM 1258 CB LEU A 80 8.163 0.145 -2.590 1.00 0.00 C ATOM 1259 CG LEU A 80 6.839 0.768 -2.110 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.901 -0.240 -1.429 1.00 0.00 C ATOM 1261 CD2 LEU A 80 7.140 1.912 -1.135 1.00 0.00 C ATOM 0 H LEU A 80 7.685 -2.130 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 80 7.158 -0.781 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.719 -0.214 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.769 0.921 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 80 6.323 1.132 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.988 0.267 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.652 -1.036 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.397 -0.666 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.204 2.355 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.692 1.524 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.738 2.671 -1.639 1.00 0.00 H new ATOM 1273 N GLU A 81 9.438 -0.339 -5.423 1.00 0.00 N ATOM 1274 CA GLU A 81 10.475 -0.478 -6.441 1.00 0.00 C ATOM 1275 C GLU A 81 11.099 0.864 -6.862 1.00 0.00 C ATOM 1276 O GLU A 81 12.195 0.858 -7.428 1.00 0.00 O ATOM 1277 CB GLU A 81 9.929 -1.306 -7.616 1.00 0.00 C ATOM 1278 CG GLU A 81 8.707 -0.711 -8.333 1.00 0.00 C ATOM 1279 CD GLU A 81 9.081 0.470 -9.239 1.00 0.00 C ATOM 1280 OE1 GLU A 81 9.806 0.282 -10.239 1.00 0.00 O ATOM 1281 OE2 GLU A 81 8.654 1.610 -8.964 1.00 0.00 O ATOM 0 H GLU A 81 8.861 0.493 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 81 11.314 -1.023 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.727 -1.439 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.665 -2.297 -7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.226 -1.486 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.979 -0.381 -7.592 1.00 0.00 H new ATOM 1288 N GLY A 82 10.487 2.007 -6.526 1.00 0.00 N ATOM 1289 CA GLY A 82 11.187 3.280 -6.399 1.00 0.00 C ATOM 1290 C GLY A 82 10.731 4.399 -7.337 1.00 0.00 C ATOM 1291 O GLY A 82 11.280 5.498 -7.224 1.00 0.00 O ATOM 0 H GLY A 82 9.487 2.069 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.079 3.629 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.250 3.105 -6.566 1.00 0.00 H new ATOM 1295 N HIS A 83 9.777 4.185 -8.255 1.00 0.00 N ATOM 1296 CA HIS A 83 9.262 5.284 -9.078 1.00 0.00 C ATOM 1297 C HIS A 83 8.620 6.358 -8.189 1.00 0.00 C ATOM 1298 O HIS A 83 7.979 6.043 -7.182 1.00 0.00 O ATOM 1299 CB HIS A 83 8.236 4.797 -10.112 1.00 0.00 C ATOM 1300 CG HIS A 83 8.835 4.152 -11.332 1.00 0.00 C ATOM 1301 ND1 HIS A 83 9.276 2.857 -11.430 1.00 0.00 N ATOM 1302 CD2 HIS A 83 8.972 4.718 -12.575 1.00 0.00 C ATOM 1303 CE1 HIS A 83 9.673 2.641 -12.690 1.00 0.00 C ATOM 1304 NE2 HIS A 83 9.515 3.753 -13.434 1.00 0.00 N ATOM 0 H HIS A 83 9.354 3.276 -8.443 1.00 0.00 H new ATOM 0 HA HIS A 83 10.110 5.707 -9.617 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.566 4.084 -9.632 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.627 5.644 -10.427 1.00 0.00 H new ATOM 0 HD1 HIS A 83 9.298 2.175 -10.672 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.708 5.730 -12.844 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.066 1.705 -13.059 1.00 0.00 H new ATOM 1312 N HIS A 84 8.736 7.625 -8.602 1.00 0.00 N ATOM 1313 CA HIS A 84 8.088 8.784 -7.972 1.00 0.00 C ATOM 1314 C HIS A 84 7.343 9.640 -9.020 1.00 0.00 C ATOM 1315 O HIS A 84 6.886 10.744 -8.718 1.00 0.00 O ATOM 1316 CB HIS A 84 9.133 9.614 -7.197 1.00 0.00 C ATOM 1317 CG HIS A 84 9.769 8.946 -5.996 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.427 7.740 -5.422 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.788 9.467 -5.240 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.227 7.532 -4.365 1.00 0.00 C ATOM 1321 NE2 HIS A 84 11.076 8.565 -4.205 1.00 0.00 N ATOM 0 H HIS A 84 9.302 7.882 -9.411 1.00 0.00 H new ATOM 0 HA HIS A 84 7.342 8.428 -7.262 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.926 9.897 -7.890 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.657 10.536 -6.863 1.00 0.00 H new ATOM 0 HD1 HIS A 84 8.691 7.113 -5.746 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.284 10.411 -5.412 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.195 6.658 -3.731 1.00 0.00 H new ATOM 1329 N ARG A 85 7.216 9.142 -10.256 1.00 0.00 N ATOM 1330 CA ARG A 85 6.501 9.757 -11.374 1.00 0.00 C ATOM 1331 C ARG A 85 5.954 8.635 -12.259 1.00 0.00 C ATOM 1332 O ARG A 85 6.382 7.486 -12.112 1.00 0.00 O ATOM 1333 CB ARG A 85 7.447 10.683 -12.168 1.00 0.00 C ATOM 1334 CG ARG A 85 8.778 10.018 -12.588 1.00 0.00 C ATOM 1335 CD ARG A 85 9.498 10.802 -13.691 1.00 0.00 C ATOM 1336 NE ARG A 85 8.742 10.718 -14.947 1.00 0.00 N ATOM 1337 CZ ARG A 85 8.730 11.591 -15.955 1.00 0.00 C ATOM 1338 NH1 ARG A 85 9.606 12.591 -16.011 1.00 0.00 N ATOM 1339 NH2 ARG A 85 7.809 11.439 -16.898 1.00 0.00 N ATOM 0 H ARG A 85 7.634 8.248 -10.514 1.00 0.00 H new ATOM 0 HA ARG A 85 5.677 10.370 -11.010 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.930 11.032 -13.062 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.668 11.563 -11.564 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.431 9.936 -11.719 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.581 9.004 -12.936 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.609 11.845 -13.393 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.502 10.403 -13.835 1.00 0.00 H new ATOM 0 HE ARG A 85 8.155 9.892 -15.062 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.303 12.700 -15.274 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.580 13.248 -16.791 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.139 10.672 -16.838 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.771 12.089 -17.683 1.00 0.00 H new ATOM 1353 N PHE A 86 5.042 8.942 -13.182 1.00 0.00 N ATOM 1354 CA PHE A 86 4.769 8.038 -14.293 1.00 0.00 C ATOM 1355 C PHE A 86 5.862 8.237 -15.347 1.00 0.00 C ATOM 1356 O PHE A 86 6.349 9.356 -15.531 1.00 0.00 O ATOM 1357 CB PHE A 86 3.365 8.261 -14.876 1.00 0.00 C ATOM 1358 CG PHE A 86 3.091 9.657 -15.402 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.524 10.039 -16.688 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.398 10.579 -14.597 1.00 0.00 C ATOM 1361 CE1 PHE A 86 3.286 11.343 -17.155 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.179 11.890 -15.058 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.622 12.273 -16.336 1.00 0.00 C ATOM 0 H PHE A 86 4.488 9.798 -13.181 1.00 0.00 H new ATOM 0 HA PHE A 86 4.784 7.007 -13.941 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.210 7.549 -15.687 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.630 8.031 -14.105 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.040 9.328 -17.316 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.034 10.281 -13.625 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.613 11.631 -18.143 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.669 12.604 -14.428 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.453 13.280 -16.688 1.00 0.00 H new ATOM 1373 N SER A 87 6.214 7.182 -16.076 1.00 0.00 N ATOM 1374 CA SER A 87 7.292 7.194 -17.058 1.00 0.00 C ATOM 1375 C SER A 87 6.889 6.365 -18.279 1.00 0.00 C ATOM 1376 O SER A 87 6.010 5.500 -18.197 1.00 0.00 O ATOM 1377 CB SER A 87 8.575 6.667 -16.400 1.00 0.00 C ATOM 1378 OG SER A 87 8.926 7.472 -15.284 1.00 0.00 O ATOM 0 H SER A 87 5.749 6.278 -15.999 1.00 0.00 H new ATOM 0 HA SER A 87 7.482 8.210 -17.404 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.430 5.635 -16.081 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.389 6.665 -17.125 1.00 0.00 H new ATOM 0 HG SER A 87 9.745 7.123 -14.874 1.00 0.00 H new ATOM 1384 N ILE A 88 7.504 6.641 -19.427 1.00 0.00 N ATOM 1385 CA ILE A 88 7.113 6.079 -20.714 1.00 0.00 C ATOM 1386 C ILE A 88 8.415 5.670 -21.398 1.00 0.00 C ATOM 1387 O ILE A 88 9.269 6.513 -21.682 1.00 0.00 O ATOM 1388 CB ILE A 88 6.268 7.097 -21.526 1.00 0.00 C ATOM 1389 CG1 ILE A 88 5.090 7.639 -20.677 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.754 6.424 -22.810 1.00 0.00 C ATOM 1391 CD1 ILE A 88 4.025 8.462 -21.410 1.00 0.00 C ATOM 0 H ILE A 88 8.302 7.273 -19.488 1.00 0.00 H new ATOM 0 HA ILE A 88 6.464 5.209 -20.615 1.00 0.00 H new ATOM 0 HB ILE A 88 6.896 7.946 -21.796 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.596 6.791 -20.203 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.503 8.255 -19.878 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.160 7.137 -23.382 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.601 6.092 -23.411 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.136 5.565 -22.548 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.259 8.780 -20.702 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.489 9.339 -21.860 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.568 7.853 -22.190 1.00 0.00 H new ATOM 1403 N VAL A 89 8.596 4.363 -21.586 1.00 0.00 N ATOM 1404 CA VAL A 89 9.799 3.797 -22.184 1.00 0.00 C ATOM 1405 C VAL A 89 9.728 4.043 -23.699 1.00 0.00 C ATOM 1406 O VAL A 89 8.639 4.083 -24.278 1.00 0.00 O ATOM 1407 CB VAL A 89 9.915 2.301 -21.803 1.00 0.00 C ATOM 1408 CG1 VAL A 89 11.215 1.664 -22.315 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.888 2.110 -20.275 1.00 0.00 C ATOM 0 H VAL A 89 7.903 3.662 -21.324 1.00 0.00 H new ATOM 0 HA VAL A 89 10.705 4.273 -21.809 1.00 0.00 H new ATOM 0 HB VAL A 89 9.059 1.816 -22.271 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.247 0.615 -22.021 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.253 1.737 -23.402 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.070 2.187 -21.886 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.971 1.049 -20.039 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.723 2.648 -19.826 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.951 2.498 -19.876 1.00 0.00 H new ATOM 1419 N TYR A 90 10.886 4.227 -24.343 1.00 0.00 N ATOM 1420 CA TYR A 90 10.966 4.496 -25.778 1.00 0.00 C ATOM 1421 C TYR A 90 10.446 3.315 -26.609 1.00 0.00 C ATOM 1422 O TYR A 90 9.870 3.527 -27.678 1.00 0.00 O ATOM 1423 CB TYR A 90 12.413 4.830 -26.169 1.00 0.00 C ATOM 1424 CG TYR A 90 13.015 5.998 -25.405 1.00 0.00 C ATOM 1425 CD1 TYR A 90 12.564 7.310 -25.656 1.00 0.00 C ATOM 1426 CD2 TYR A 90 14.014 5.777 -24.437 1.00 0.00 C ATOM 1427 CE1 TYR A 90 13.105 8.394 -24.944 1.00 0.00 C ATOM 1428 CE2 TYR A 90 14.559 6.857 -23.720 1.00 0.00 C ATOM 1429 CZ TYR A 90 14.106 8.173 -23.970 1.00 0.00 C ATOM 1430 OH TYR A 90 14.623 9.233 -23.285 1.00 0.00 O ATOM 0 H TYR A 90 11.794 4.193 -23.880 1.00 0.00 H new ATOM 0 HA TYR A 90 10.327 5.353 -25.994 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.033 3.948 -26.008 1.00 0.00 H new ATOM 0 HB3 TYR A 90 12.446 5.053 -27.235 1.00 0.00 H new ATOM 0 HD1 TYR A 90 11.799 7.483 -26.399 1.00 0.00 H new ATOM 0 HD2 TYR A 90 14.363 4.773 -24.244 1.00 0.00 H new ATOM 0 HE1 TYR A 90 12.756 9.397 -25.141 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.324 6.681 -22.978 1.00 0.00 H new ATOM 0 HH TYR A 90 15.299 8.915 -22.651 1.00 0.00 H new ATOM 1440 N SER A 91 10.652 2.088 -26.123 1.00 0.00 N ATOM 1441 CA SER A 91 10.087 0.867 -26.682 1.00 0.00 C ATOM 1442 C SER A 91 8.570 0.949 -26.579 1.00 0.00 C ATOM 1443 O SER A 91 8.050 0.959 -25.442 1.00 0.00 O ATOM 1444 CB SER A 91 10.633 -0.356 -25.934 1.00 0.00 C ATOM 1445 OG SER A 91 12.055 -0.308 -25.871 1.00 0.00 O ATOM 1446 OXT SER A 91 7.901 1.054 -27.627 1.00 0.00 O ATOM 0 H SER A 91 11.235 1.917 -25.304 1.00 0.00 H new ATOM 0 HA SER A 91 10.369 0.761 -27.730 1.00 0.00 H new ATOM 0 HB2 SER A 91 10.219 -0.388 -24.926 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.316 -1.269 -26.438 1.00 0.00 H new ATOM 0 HG SER A 91 12.388 -1.094 -25.389 1.00 0.00 H new TER 1452 SER A 91