USER MOD reduce.3.24.130724 H: found=0, std=0, add=1110, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1110 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: B 41 ASN : amide:sc= -0.055 K(o=-4.4,f=-9.7) USER MOD Set 1.2: B 46 MET CE :methyl 145:sc= -4.39! (180deg=-3.86!) USER MOD Set 2.1: B 26 TYR OH : rot -15:sc= 0.853 USER MOD Set 2.2: B 39 HIS : no HE2:sc= 0.708 K(o=1.6,f=-8.7!) USER MOD Set 3.1: B 17 HIS : no HD1:sc= -0.528 K(o=-0.25,f=-4.7!) USER MOD Set 3.2: B 20 THR OG1 : rot 160:sc= 0.279 USER MOD Set 4.1: A 41 ASN : amide:sc= -0.126 K(o=-4.4,f=-9.5) USER MOD Set 4.2: A 46 MET CE :methyl 149:sc= -4.22! (180deg=-3.87!) USER MOD Set 5.1: A 26 TYR OH : rot -15:sc= 0.912 USER MOD Set 5.2: A 39 HIS : no HE2:sc= 0.687 K(o=1.6,f=-8.8!) USER MOD Set 6.1: A 17 HIS : no HD1:sc= -0.394 K(o=-0.1,f=-4.8!) USER MOD Set 6.2: A 20 THR OG1 : rot 162:sc= 0.292 USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0.855 (180deg=0.799) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 6 HIS : no HD1:sc= -1.99 K(o=-2,f=-1.2) USER MOD Single : A 18 THR OG1 : rot 180:sc= -2.4! USER MOD Single : A 19 SER OG : rot 180:sc= 0.00256 USER MOD Single : A 24 ASN : amide:sc= 0.719 K(o=0.72,f=-0.74) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 28 THR OG1 : rot -76:sc= 1.19 USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 0.172 (180deg=-1.07) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.562 X(o=-0.56,f=-0.16) USER MOD Single : A 49 GLN : amide:sc= 0.0786 X(o=0.079,f=0) USER MOD Single : A 50 HIS : no HE2:sc= -0.314 K(o=-0.31,f=-4.8!) USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= 1.21 (180deg=0.869) USER MOD Single : A 56 THR OG1 : rot 91:sc= -0.485 USER MOD Single : A 64 TYR OH : rot -138:sc= -1.13! USER MOD Single : A 66 THR OG1 : rot 28:sc= 0.554 USER MOD Single : B 1 GLY N :NH3+ 179:sc= 0.758 (180deg=0.734) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 180:sc= -1.08 USER MOD Single : B 6 HIS : no HD1:sc= -2.02 K(o=-2,f=-1.3) USER MOD Single : B 18 THR OG1 : rot 180:sc= -2.38! USER MOD Single : B 19 SER OG : rot 180:sc= 0.00285 USER MOD Single : B 24 ASN : amide:sc= 0.563 K(o=0.56,f=-0.71) USER MOD Single : B 27 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 28 THR OG1 : rot -73:sc= 1.2 USER MOD Single : B 33 LYS NZ :NH3+ 149:sc= 0.212 (180deg=-1.01!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.1) USER MOD Single : B 49 GLN : amide:sc= 0.0831 X(o=0.083,f=0) USER MOD Single : B 50 HIS : no HE2:sc= -0.265 K(o=-0.27,f=-4.9!) USER MOD Single : B 53 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.845) USER MOD Single : B 56 THR OG1 : rot 75:sc= -0.415 USER MOD Single : B 64 TYR OH : rot -136:sc= -1.16! USER MOD Single : B 66 THR OG1 : rot 28:sc= 0.465 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.728 12.138 -7.944 1.00 0.00 N ATOM 2 CA GLY A 1 -3.356 11.285 -8.979 1.00 0.00 C ATOM 3 C GLY A 1 -4.734 10.818 -8.564 1.00 0.00 C ATOM 4 O GLY A 1 -5.718 11.508 -8.825 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.793 12.451 -8.273 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.329 12.968 -7.767 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.621 11.594 -7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.427 11.841 -9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.722 10.420 -9.170 1.00 0.00 H new ATOM 10 N PRO A 2 -4.848 9.653 -7.901 1.00 0.00 N ATOM 11 CA PRO A 2 -6.137 9.130 -7.459 1.00 0.00 C ATOM 12 C PRO A 2 -6.751 9.981 -6.359 1.00 0.00 C ATOM 13 O PRO A 2 -6.332 9.928 -5.207 1.00 0.00 O ATOM 14 CB PRO A 2 -5.817 7.728 -6.927 1.00 0.00 C ATOM 15 CG PRO A 2 -4.437 7.428 -7.398 1.00 0.00 C ATOM 16 CD PRO A 2 -3.747 8.754 -7.530 1.00 0.00 C ATOM 0 HA PRO A 2 -6.864 9.126 -8.271 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.875 7.699 -5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.529 6.993 -7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.914 6.785 -6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.456 6.902 -8.352 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -3.272 9.058 -6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.968 8.731 -8.292 1.00 0.00 H new ATOM 24 N LYS A 3 -7.731 10.782 -6.733 1.00 0.00 N ATOM 25 CA LYS A 3 -8.463 11.585 -5.770 1.00 0.00 C ATOM 26 C LYS A 3 -9.616 10.779 -5.203 1.00 0.00 C ATOM 27 O LYS A 3 -10.158 11.097 -4.146 1.00 0.00 O ATOM 28 CB LYS A 3 -8.998 12.852 -6.430 1.00 0.00 C ATOM 29 CG LYS A 3 -7.919 13.727 -7.052 1.00 0.00 C ATOM 30 CD LYS A 3 -6.985 14.322 -6.008 1.00 0.00 C ATOM 31 CE LYS A 3 -7.715 15.271 -5.069 1.00 0.00 C ATOM 32 NZ LYS A 3 -6.789 15.915 -4.101 1.00 0.00 N ATOM 0 H LYS A 3 -8.039 10.894 -7.699 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.786 11.868 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.715 12.573 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.541 13.435 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.339 13.136 -7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.388 14.532 -7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.528 13.519 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.176 14.856 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.222 16.039 -5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.485 14.723 -4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.325 16.554 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.323 15.184 -3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.069 16.459 -4.618 1.00 0.00 H new ATOM 46 N THR A 4 -9.981 9.726 -5.912 1.00 0.00 N ATOM 47 CA THR A 4 -11.097 8.903 -5.511 1.00 0.00 C ATOM 48 C THR A 4 -10.695 7.444 -5.350 1.00 0.00 C ATOM 49 O THR A 4 -9.632 7.027 -5.819 1.00 0.00 O ATOM 50 CB THR A 4 -12.263 9.013 -6.507 1.00 0.00 C ATOM 51 OG1 THR A 4 -11.775 8.894 -7.847 1.00 0.00 O ATOM 52 CG2 THR A 4 -12.989 10.335 -6.342 1.00 0.00 C ATOM 0 H THR A 4 -9.517 9.424 -6.769 1.00 0.00 H new ATOM 0 HA THR A 4 -11.427 9.278 -4.542 1.00 0.00 H new ATOM 0 HB THR A 4 -12.964 8.204 -6.304 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.524 8.963 -8.475 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.810 10.391 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.384 10.409 -5.329 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.295 11.156 -6.522 1.00 0.00 H new ATOM 60 N LEU A 5 -11.551 6.680 -4.700 1.00 0.00 N ATOM 61 CA LEU A 5 -11.277 5.286 -4.394 1.00 0.00 C ATOM 62 C LEU A 5 -11.054 4.481 -5.675 1.00 0.00 C ATOM 63 O LEU A 5 -10.079 3.738 -5.791 1.00 0.00 O ATOM 64 CB LEU A 5 -12.445 4.726 -3.570 1.00 0.00 C ATOM 65 CG LEU A 5 -12.254 3.339 -2.958 1.00 0.00 C ATOM 66 CD1 LEU A 5 -12.692 2.250 -3.924 1.00 0.00 C ATOM 67 CD2 LEU A 5 -10.808 3.147 -2.538 1.00 0.00 C ATOM 0 H LEU A 5 -12.458 7.007 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.360 5.208 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.658 5.427 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.328 4.697 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.884 3.263 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.545 1.274 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.746 2.382 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.099 2.313 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.684 2.155 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.160 3.245 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.540 3.903 -1.800 1.00 0.00 H new ATOM 79 N HIS A 6 -11.946 4.669 -6.638 1.00 0.00 N ATOM 80 CA HIS A 6 -11.891 3.956 -7.913 1.00 0.00 C ATOM 81 C HIS A 6 -10.513 4.090 -8.557 1.00 0.00 C ATOM 82 O HIS A 6 -9.962 3.124 -9.084 1.00 0.00 O ATOM 83 CB HIS A 6 -12.959 4.518 -8.854 1.00 0.00 C ATOM 84 CG HIS A 6 -13.306 3.631 -10.017 1.00 0.00 C ATOM 85 ND1 HIS A 6 -14.592 3.495 -10.495 1.00 0.00 N ATOM 86 CD2 HIS A 6 -12.534 2.844 -10.805 1.00 0.00 C ATOM 87 CE1 HIS A 6 -14.594 2.664 -11.519 1.00 0.00 C ATOM 88 NE2 HIS A 6 -13.358 2.257 -11.727 1.00 0.00 N ATOM 0 H HIS A 6 -12.728 5.319 -6.560 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.078 2.898 -7.728 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.865 4.710 -8.279 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.616 5.479 -9.238 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.466 2.706 -10.721 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -15.461 2.367 -12.090 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -13.063 1.609 -12.457 1.00 0.00 H new ATOM 97 N GLU A 7 -9.958 5.288 -8.485 1.00 0.00 N ATOM 98 CA GLU A 7 -8.682 5.581 -9.116 1.00 0.00 C ATOM 99 C GLU A 7 -7.543 4.899 -8.367 1.00 0.00 C ATOM 100 O GLU A 7 -6.540 4.493 -8.957 1.00 0.00 O ATOM 101 CB GLU A 7 -8.449 7.088 -9.144 1.00 0.00 C ATOM 102 CG GLU A 7 -9.575 7.872 -9.793 1.00 0.00 C ATOM 103 CD GLU A 7 -9.807 7.491 -11.236 1.00 0.00 C ATOM 104 OE1 GLU A 7 -8.908 7.728 -12.069 1.00 0.00 O ATOM 105 OE2 GLU A 7 -10.896 6.969 -11.546 1.00 0.00 O ATOM 0 H GLU A 7 -10.374 6.078 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.707 5.199 -10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.313 7.444 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.522 7.293 -9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.494 7.711 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.348 8.937 -9.736 1.00 0.00 H new ATOM 112 N LEU A 8 -7.714 4.769 -7.060 1.00 0.00 N ATOM 113 CA LEU A 8 -6.701 4.179 -6.205 1.00 0.00 C ATOM 114 C LEU A 8 -6.584 2.682 -6.469 1.00 0.00 C ATOM 115 O LEU A 8 -5.487 2.122 -6.471 1.00 0.00 O ATOM 116 CB LEU A 8 -7.047 4.456 -4.739 1.00 0.00 C ATOM 117 CG LEU A 8 -5.943 4.169 -3.717 1.00 0.00 C ATOM 118 CD1 LEU A 8 -5.917 2.699 -3.336 1.00 0.00 C ATOM 119 CD2 LEU A 8 -4.592 4.602 -4.259 1.00 0.00 C ATOM 0 H LEU A 8 -8.555 5.068 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.734 4.629 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.335 5.503 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.921 3.861 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.159 4.745 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.123 2.525 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.876 2.419 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.733 2.096 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.819 4.391 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.376 4.055 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.610 5.671 -4.470 1.00 0.00 H new ATOM 131 N LEU A 9 -7.718 2.040 -6.707 1.00 0.00 N ATOM 132 CA LEU A 9 -7.734 0.618 -7.022 1.00 0.00 C ATOM 133 C LEU A 9 -6.965 0.340 -8.302 1.00 0.00 C ATOM 134 O LEU A 9 -6.279 -0.674 -8.415 1.00 0.00 O ATOM 135 CB LEU A 9 -9.169 0.104 -7.147 1.00 0.00 C ATOM 136 CG LEU A 9 -9.841 -0.309 -5.834 1.00 0.00 C ATOM 137 CD1 LEU A 9 -9.183 -1.549 -5.265 1.00 0.00 C ATOM 138 CD2 LEU A 9 -9.787 0.810 -4.818 1.00 0.00 C ATOM 0 H LEU A 9 -8.638 2.480 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.247 0.089 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.774 0.880 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.172 -0.753 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.886 -0.528 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.675 -1.826 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.271 -2.368 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.129 -1.346 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.272 0.488 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.747 1.064 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.303 1.685 -5.213 1.00 0.00 H new ATOM 150 N GLU A 10 -7.066 1.250 -9.258 1.00 0.00 N ATOM 151 CA GLU A 10 -6.321 1.124 -10.503 1.00 0.00 C ATOM 152 C GLU A 10 -4.830 1.320 -10.252 1.00 0.00 C ATOM 153 O GLU A 10 -3.993 0.714 -10.916 1.00 0.00 O ATOM 154 CB GLU A 10 -6.812 2.137 -11.533 1.00 0.00 C ATOM 155 CG GLU A 10 -8.272 1.968 -11.903 1.00 0.00 C ATOM 156 CD GLU A 10 -8.683 2.855 -13.059 1.00 0.00 C ATOM 157 OE1 GLU A 10 -8.813 2.343 -14.191 1.00 0.00 O ATOM 158 OE2 GLU A 10 -8.872 4.067 -12.847 1.00 0.00 O ATOM 0 H GLU A 10 -7.654 2.081 -9.197 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.486 0.121 -10.896 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.659 3.143 -11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.205 2.049 -12.434 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.459 0.926 -12.164 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.892 2.196 -11.036 1.00 0.00 H new ATOM 165 N ARG A 11 -4.514 2.158 -9.272 1.00 0.00 N ATOM 166 CA ARG A 11 -3.133 2.452 -8.919 1.00 0.00 C ATOM 167 C ARG A 11 -2.421 1.204 -8.421 1.00 0.00 C ATOM 168 O ARG A 11 -1.253 0.982 -8.725 1.00 0.00 O ATOM 169 CB ARG A 11 -3.085 3.530 -7.837 1.00 0.00 C ATOM 170 CG ARG A 11 -2.275 4.750 -8.226 1.00 0.00 C ATOM 171 CD ARG A 11 -0.804 4.417 -8.396 1.00 0.00 C ATOM 172 NE ARG A 11 -0.080 5.499 -9.054 1.00 0.00 N ATOM 173 CZ ARG A 11 1.038 5.337 -9.758 1.00 0.00 C ATOM 174 NH1 ARG A 11 1.622 4.147 -9.830 1.00 0.00 N ATOM 175 NH2 ARG A 11 1.582 6.376 -10.378 1.00 0.00 N ATOM 0 H ARG A 11 -5.204 2.649 -8.704 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.626 2.810 -9.815 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.103 3.841 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.664 3.101 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.664 5.164 -9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.388 5.520 -7.463 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.360 4.222 -7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.703 3.503 -8.981 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.456 6.443 -8.969 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.214 3.348 -9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.479 4.031 -10.372 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.144 7.295 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.439 6.256 -10.918 1.00 0.00 H new ATOM 189 N ILE A 12 -3.138 0.394 -7.659 1.00 0.00 N ATOM 190 CA ILE A 12 -2.552 -0.791 -7.055 1.00 0.00 C ATOM 191 C ILE A 12 -2.850 -2.048 -7.864 1.00 0.00 C ATOM 192 O ILE A 12 -2.243 -3.098 -7.648 1.00 0.00 O ATOM 193 CB ILE A 12 -3.040 -0.957 -5.607 1.00 0.00 C ATOM 194 CG1 ILE A 12 -4.556 -1.161 -5.547 1.00 0.00 C ATOM 195 CG2 ILE A 12 -2.649 0.273 -4.814 1.00 0.00 C ATOM 196 CD1 ILE A 12 -5.073 -1.394 -4.144 1.00 0.00 C ATOM 0 H ILE A 12 -4.125 0.535 -7.444 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.471 -0.653 -7.050 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.573 -1.844 -5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.050 -0.286 -5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.826 -2.012 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.991 0.166 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.565 0.385 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.110 1.155 -5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.154 -1.531 -4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.605 -2.286 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.833 -0.533 -3.520 1.00 0.00 H new ATOM 208 N GLY A 13 -3.781 -1.933 -8.798 1.00 0.00 N ATOM 209 CA GLY A 13 -4.079 -3.037 -9.686 1.00 0.00 C ATOM 210 C GLY A 13 -5.148 -3.956 -9.137 1.00 0.00 C ATOM 211 O GLY A 13 -5.129 -5.161 -9.386 1.00 0.00 O ATOM 0 H GLY A 13 -4.337 -1.093 -8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.403 -2.645 -10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.169 -3.610 -9.864 1.00 0.00 H new ATOM 215 N LEU A 14 -6.079 -3.390 -8.382 1.00 0.00 N ATOM 216 CA LEU A 14 -7.181 -4.157 -7.828 1.00 0.00 C ATOM 217 C LEU A 14 -8.509 -3.579 -8.264 1.00 0.00 C ATOM 218 O LEU A 14 -9.504 -3.671 -7.544 1.00 0.00 O ATOM 219 CB LEU A 14 -7.123 -4.216 -6.302 1.00 0.00 C ATOM 220 CG LEU A 14 -6.142 -5.231 -5.720 1.00 0.00 C ATOM 221 CD1 LEU A 14 -6.233 -6.545 -6.465 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.722 -4.711 -5.747 1.00 0.00 C ATOM 0 H LEU A 14 -6.091 -2.399 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.086 -5.173 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.860 -3.227 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.120 -4.444 -5.926 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.418 -5.395 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.527 -7.256 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.244 -6.942 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.993 -6.385 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.052 -5.460 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.431 -4.502 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.659 -3.795 -5.159 1.00 0.00 H new ATOM 234 N GLU A 15 -8.524 -3.006 -9.456 1.00 0.00 N ATOM 235 CA GLU A 15 -9.744 -2.451 -10.024 1.00 0.00 C ATOM 236 C GLU A 15 -10.802 -3.544 -10.194 1.00 0.00 C ATOM 237 O GLU A 15 -11.992 -3.262 -10.341 1.00 0.00 O ATOM 238 CB GLU A 15 -9.441 -1.779 -11.359 1.00 0.00 C ATOM 239 CG GLU A 15 -8.857 -2.721 -12.392 1.00 0.00 C ATOM 240 CD GLU A 15 -8.540 -2.033 -13.697 1.00 0.00 C ATOM 241 OE1 GLU A 15 -9.485 -1.638 -14.415 1.00 0.00 O ATOM 242 OE2 GLU A 15 -7.343 -1.888 -14.013 1.00 0.00 O ATOM 0 H GLU A 15 -7.702 -2.912 -10.052 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.140 -1.700 -9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.359 -1.344 -11.754 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.744 -0.957 -11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.948 -3.171 -11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.561 -3.533 -12.576 1.00 0.00 H new ATOM 249 N GLU A 16 -10.347 -4.793 -10.151 1.00 0.00 N ATOM 250 CA GLU A 16 -11.227 -5.953 -10.175 1.00 0.00 C ATOM 251 C GLU A 16 -12.163 -5.955 -8.965 1.00 0.00 C ATOM 252 O GLU A 16 -13.228 -6.568 -8.991 1.00 0.00 O ATOM 253 CB GLU A 16 -10.394 -7.236 -10.178 1.00 0.00 C ATOM 254 CG GLU A 16 -9.483 -7.360 -8.967 1.00 0.00 C ATOM 255 CD GLU A 16 -8.687 -8.646 -8.950 1.00 0.00 C ATOM 256 OE1 GLU A 16 -7.882 -8.862 -9.876 1.00 0.00 O ATOM 257 OE2 GLU A 16 -8.840 -9.432 -7.988 1.00 0.00 O ATOM 0 H GLU A 16 -9.356 -5.028 -10.098 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.831 -5.904 -11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.063 -8.096 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.789 -7.267 -11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.795 -6.514 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.085 -7.301 -8.060 1.00 0.00 H new ATOM 264 N HIS A 17 -11.758 -5.263 -7.906 1.00 0.00 N ATOM 265 CA HIS A 17 -12.529 -5.239 -6.674 1.00 0.00 C ATOM 266 C HIS A 17 -13.010 -3.837 -6.341 1.00 0.00 C ATOM 267 O HIS A 17 -13.484 -3.600 -5.234 1.00 0.00 O ATOM 268 CB HIS A 17 -11.708 -5.786 -5.504 1.00 0.00 C ATOM 269 CG HIS A 17 -11.542 -7.275 -5.516 1.00 0.00 C ATOM 270 ND1 HIS A 17 -12.596 -8.154 -5.377 1.00 0.00 N ATOM 271 CD2 HIS A 17 -10.432 -8.040 -5.648 1.00 0.00 C ATOM 272 CE1 HIS A 17 -12.141 -9.394 -5.422 1.00 0.00 C ATOM 273 NE2 HIS A 17 -10.833 -9.354 -5.586 1.00 0.00 N ATOM 0 H HIS A 17 -10.900 -4.712 -7.878 1.00 0.00 H new ATOM 0 HA HIS A 17 -13.399 -5.876 -6.832 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.722 -5.321 -5.517 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.186 -5.492 -4.570 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.421 -7.684 -5.778 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.739 -10.289 -5.339 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.219 -10.165 -5.656 1.00 0.00 H new ATOM 282 N THR A 18 -12.889 -2.910 -7.286 1.00 0.00 N ATOM 283 CA THR A 18 -13.349 -1.546 -7.061 1.00 0.00 C ATOM 284 C THR A 18 -14.811 -1.532 -6.640 1.00 0.00 C ATOM 285 O THR A 18 -15.180 -0.883 -5.663 1.00 0.00 O ATOM 286 CB THR A 18 -13.195 -0.670 -8.312 1.00 0.00 C ATOM 287 OG1 THR A 18 -11.863 -0.758 -8.821 1.00 0.00 O ATOM 288 CG2 THR A 18 -13.524 0.775 -7.985 1.00 0.00 C ATOM 0 H THR A 18 -12.480 -3.076 -8.206 1.00 0.00 H new ATOM 0 HA THR A 18 -12.724 -1.137 -6.267 1.00 0.00 H new ATOM 0 HB THR A 18 -13.888 -1.030 -9.072 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.780 -0.196 -9.619 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.411 1.386 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 18 -14.551 0.842 -7.627 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.846 1.136 -7.212 1.00 0.00 H new ATOM 296 N SER A 19 -15.632 -2.269 -7.375 1.00 0.00 N ATOM 297 CA SER A 19 -17.048 -2.365 -7.078 1.00 0.00 C ATOM 298 C SER A 19 -17.267 -2.973 -5.698 1.00 0.00 C ATOM 299 O SER A 19 -18.163 -2.562 -4.969 1.00 0.00 O ATOM 300 CB SER A 19 -17.739 -3.204 -8.145 1.00 0.00 C ATOM 301 OG SER A 19 -17.037 -4.417 -8.365 1.00 0.00 O ATOM 0 H SER A 19 -15.336 -2.812 -8.186 1.00 0.00 H new ATOM 0 HA SER A 19 -17.478 -1.363 -7.078 1.00 0.00 H new ATOM 0 HB2 SER A 19 -18.762 -3.421 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 19 -17.799 -2.639 -9.075 1.00 0.00 H new ATOM 0 HG SER A 19 -17.498 -4.942 -9.052 1.00 0.00 H new ATOM 307 N THR A 20 -16.425 -3.934 -5.340 1.00 0.00 N ATOM 308 CA THR A 20 -16.505 -4.573 -4.040 1.00 0.00 C ATOM 309 C THR A 20 -16.393 -3.533 -2.932 1.00 0.00 C ATOM 310 O THR A 20 -17.250 -3.452 -2.054 1.00 0.00 O ATOM 311 CB THR A 20 -15.385 -5.615 -3.868 1.00 0.00 C ATOM 312 OG1 THR A 20 -15.359 -6.510 -4.991 1.00 0.00 O ATOM 313 CG2 THR A 20 -15.586 -6.404 -2.585 1.00 0.00 C ATOM 0 H THR A 20 -15.677 -4.287 -5.937 1.00 0.00 H new ATOM 0 HA THR A 20 -17.470 -5.076 -3.976 1.00 0.00 H new ATOM 0 HB THR A 20 -14.432 -5.088 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.495 -6.972 -5.021 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.786 -7.136 -2.479 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.571 -5.724 -1.733 1.00 0.00 H new ATOM 0 HG23 THR A 20 -16.546 -6.919 -2.621 1.00 0.00 H new ATOM 321 N LEU A 21 -15.344 -2.727 -2.994 1.00 0.00 N ATOM 322 CA LEU A 21 -15.152 -1.662 -2.027 1.00 0.00 C ATOM 323 C LEU A 21 -16.288 -0.652 -2.125 1.00 0.00 C ATOM 324 O LEU A 21 -16.954 -0.354 -1.134 1.00 0.00 O ATOM 325 CB LEU A 21 -13.805 -0.959 -2.253 1.00 0.00 C ATOM 326 CG LEU A 21 -12.560 -1.695 -1.740 1.00 0.00 C ATOM 327 CD1 LEU A 21 -12.826 -2.341 -0.395 1.00 0.00 C ATOM 328 CD2 LEU A 21 -12.073 -2.726 -2.741 1.00 0.00 C ATOM 0 H LEU A 21 -14.614 -2.792 -3.704 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.151 -2.102 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.684 -0.787 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.845 0.020 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.771 -0.953 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.928 -2.856 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.101 -1.574 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.641 -3.059 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.190 -3.228 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.859 -3.460 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.820 -2.231 -3.679 1.00 0.00 H new ATOM 340 N LEU A 22 -16.519 -0.176 -3.341 1.00 0.00 N ATOM 341 CA LEU A 22 -17.502 0.865 -3.618 1.00 0.00 C ATOM 342 C LEU A 22 -18.883 0.507 -3.062 1.00 0.00 C ATOM 343 O LEU A 22 -19.527 1.323 -2.399 1.00 0.00 O ATOM 344 CB LEU A 22 -17.586 1.069 -5.131 1.00 0.00 C ATOM 345 CG LEU A 22 -18.274 2.348 -5.594 1.00 0.00 C ATOM 346 CD1 LEU A 22 -17.492 3.569 -5.140 1.00 0.00 C ATOM 347 CD2 LEU A 22 -18.425 2.343 -7.106 1.00 0.00 C ATOM 0 H LEU A 22 -16.025 -0.504 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 22 -17.183 1.784 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.574 1.057 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -18.113 0.219 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 22 -19.266 2.392 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.998 4.472 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.428 3.576 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -16.488 3.535 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -18.918 3.261 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -17.441 2.279 -7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -19.025 1.485 -7.409 1.00 0.00 H new ATOM 359 N LEU A 23 -19.323 -0.718 -3.322 1.00 0.00 N ATOM 360 CA LEU A 23 -20.645 -1.168 -2.905 1.00 0.00 C ATOM 361 C LEU A 23 -20.719 -1.376 -1.398 1.00 0.00 C ATOM 362 O LEU A 23 -21.779 -1.217 -0.791 1.00 0.00 O ATOM 363 CB LEU A 23 -21.009 -2.470 -3.617 1.00 0.00 C ATOM 364 CG LEU A 23 -21.132 -2.367 -5.139 1.00 0.00 C ATOM 365 CD1 LEU A 23 -21.473 -3.721 -5.736 1.00 0.00 C ATOM 366 CD2 LEU A 23 -22.177 -1.333 -5.523 1.00 0.00 C ATOM 0 H LEU A 23 -18.780 -1.421 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.356 -0.388 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.254 -3.219 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.955 -2.833 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 23 -20.171 -2.046 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -21.557 -3.630 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -20.687 -4.435 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -22.421 -4.071 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -22.249 -1.275 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -23.143 -1.622 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -21.889 -0.360 -5.126 1.00 0.00 H new ATOM 378 N ASN A 24 -19.593 -1.723 -0.794 1.00 0.00 N ATOM 379 CA ASN A 24 -19.562 -2.007 0.632 1.00 0.00 C ATOM 380 C ASN A 24 -19.278 -0.753 1.446 1.00 0.00 C ATOM 381 O ASN A 24 -19.034 -0.821 2.651 1.00 0.00 O ATOM 382 CB ASN A 24 -18.546 -3.102 0.946 1.00 0.00 C ATOM 383 CG ASN A 24 -19.093 -4.485 0.648 1.00 0.00 C ATOM 384 OD1 ASN A 24 -19.740 -5.107 1.490 1.00 0.00 O ATOM 385 ND2 ASN A 24 -18.827 -4.984 -0.545 1.00 0.00 N ATOM 0 H ASN A 24 -18.693 -1.814 -1.266 1.00 0.00 H new ATOM 0 HA ASN A 24 -20.551 -2.366 0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -17.641 -2.936 0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.262 -3.043 1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -19.161 -5.915 -0.794 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -18.287 -4.439 -1.217 1.00 0.00 H new ATOM 392 N GLY A 25 -19.308 0.390 0.778 1.00 0.00 N ATOM 393 CA GLY A 25 -19.234 1.656 1.477 1.00 0.00 C ATOM 394 C GLY A 25 -17.897 2.340 1.322 1.00 0.00 C ATOM 395 O GLY A 25 -17.728 3.488 1.733 1.00 0.00 O ATOM 0 H GLY A 25 -19.382 0.464 -0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.018 2.316 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -19.431 1.492 2.536 1.00 0.00 H new ATOM 399 N TYR A 26 -16.950 1.649 0.718 1.00 0.00 N ATOM 400 CA TYR A 26 -15.629 2.201 0.502 1.00 0.00 C ATOM 401 C TYR A 26 -15.605 2.975 -0.800 1.00 0.00 C ATOM 402 O TYR A 26 -15.162 2.477 -1.831 1.00 0.00 O ATOM 403 CB TYR A 26 -14.594 1.087 0.491 1.00 0.00 C ATOM 404 CG TYR A 26 -14.510 0.356 1.804 1.00 0.00 C ATOM 405 CD1 TYR A 26 -15.019 -0.927 1.941 1.00 0.00 C ATOM 406 CD2 TYR A 26 -13.938 0.960 2.909 1.00 0.00 C ATOM 407 CE1 TYR A 26 -14.954 -1.590 3.149 1.00 0.00 C ATOM 408 CE2 TYR A 26 -13.866 0.305 4.119 1.00 0.00 C ATOM 409 CZ TYR A 26 -14.374 -0.968 4.234 1.00 0.00 C ATOM 410 OH TYR A 26 -14.307 -1.616 5.441 1.00 0.00 O ATOM 0 H TYR A 26 -17.073 0.699 0.367 1.00 0.00 H new ATOM 0 HA TYR A 26 -15.384 2.884 1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -14.839 0.378 -0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.617 1.507 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -15.472 -1.414 1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -13.542 1.961 2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -15.354 -2.589 3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.413 0.788 4.972 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.912 -2.387 5.433 1.00 0.00 H new ATOM 420 N GLN A 27 -16.103 4.194 -0.740 1.00 0.00 N ATOM 421 CA GLN A 27 -16.271 5.001 -1.929 1.00 0.00 C ATOM 422 C GLN A 27 -15.199 6.065 -2.019 1.00 0.00 C ATOM 423 O GLN A 27 -14.910 6.583 -3.101 1.00 0.00 O ATOM 424 CB GLN A 27 -17.650 5.644 -1.921 1.00 0.00 C ATOM 425 CG GLN A 27 -18.763 4.638 -1.700 1.00 0.00 C ATOM 426 CD GLN A 27 -20.144 5.235 -1.859 1.00 0.00 C ATOM 427 OE1 GLN A 27 -20.363 6.418 -1.594 1.00 0.00 O ATOM 428 NE2 GLN A 27 -21.085 4.414 -2.293 1.00 0.00 N ATOM 0 H GLN A 27 -16.399 4.648 0.124 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.178 4.355 -2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -17.689 6.401 -1.138 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.813 6.157 -2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -18.646 3.815 -2.405 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -18.669 4.216 -0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -20.858 3.441 -2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -22.038 4.753 -2.421 1.00 0.00 H new ATOM 437 N THR A 28 -14.615 6.400 -0.885 1.00 0.00 N ATOM 438 CA THR A 28 -13.554 7.380 -0.854 1.00 0.00 C ATOM 439 C THR A 28 -12.300 6.783 -0.242 1.00 0.00 C ATOM 440 O THR A 28 -12.340 5.696 0.343 1.00 0.00 O ATOM 441 CB THR A 28 -13.957 8.636 -0.058 1.00 0.00 C ATOM 442 OG1 THR A 28 -14.136 8.307 1.325 1.00 0.00 O ATOM 443 CG2 THR A 28 -15.240 9.234 -0.613 1.00 0.00 C ATOM 0 H THR A 28 -14.859 6.007 0.024 1.00 0.00 H new ATOM 0 HA THR A 28 -13.359 7.674 -1.885 1.00 0.00 H new ATOM 0 HB THR A 28 -13.158 9.372 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.986 7.834 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.507 10.120 -0.037 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.091 9.511 -1.657 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.043 8.500 -0.544 1.00 0.00 H new ATOM 451 N LEU A 29 -11.196 7.490 -0.372 1.00 0.00 N ATOM 452 CA LEU A 29 -9.946 7.072 0.236 1.00 0.00 C ATOM 453 C LEU A 29 -10.072 7.122 1.753 1.00 0.00 C ATOM 454 O LEU A 29 -9.433 6.357 2.476 1.00 0.00 O ATOM 455 CB LEU A 29 -8.820 7.984 -0.243 1.00 0.00 C ATOM 456 CG LEU A 29 -8.674 8.065 -1.764 1.00 0.00 C ATOM 457 CD1 LEU A 29 -7.593 9.060 -2.147 1.00 0.00 C ATOM 458 CD2 LEU A 29 -8.372 6.694 -2.342 1.00 0.00 C ATOM 0 H LEU A 29 -11.138 8.363 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.716 6.048 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.991 8.987 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.879 7.633 0.182 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.618 8.413 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.505 9.102 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.855 10.047 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.641 8.746 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.271 6.770 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.442 6.317 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.186 6.010 -2.100 1.00 0.00 H new ATOM 470 N GLU A 30 -10.932 8.019 2.216 1.00 0.00 N ATOM 471 CA GLU A 30 -11.218 8.170 3.632 1.00 0.00 C ATOM 472 C GLU A 30 -11.995 6.969 4.161 1.00 0.00 C ATOM 473 O GLU A 30 -11.935 6.653 5.347 1.00 0.00 O ATOM 474 CB GLU A 30 -12.000 9.458 3.864 1.00 0.00 C ATOM 475 CG GLU A 30 -11.199 10.705 3.536 1.00 0.00 C ATOM 476 CD GLU A 30 -12.065 11.938 3.426 1.00 0.00 C ATOM 477 OE1 GLU A 30 -12.575 12.206 2.318 1.00 0.00 O ATOM 478 OE2 GLU A 30 -12.242 12.642 4.439 1.00 0.00 O ATOM 0 H GLU A 30 -11.450 8.662 1.618 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.275 8.223 4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.904 9.443 3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.318 9.501 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.446 10.862 4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.667 10.554 2.597 1.00 0.00 H new ATOM 485 N ASP A 31 -12.733 6.306 3.280 1.00 0.00 N ATOM 486 CA ASP A 31 -13.415 5.072 3.650 1.00 0.00 C ATOM 487 C ASP A 31 -12.435 3.917 3.605 1.00 0.00 C ATOM 488 O ASP A 31 -12.340 3.124 4.543 1.00 0.00 O ATOM 489 CB ASP A 31 -14.579 4.758 2.706 1.00 0.00 C ATOM 490 CG ASP A 31 -15.690 5.784 2.735 1.00 0.00 C ATOM 491 OD1 ASP A 31 -15.873 6.483 1.716 1.00 0.00 O ATOM 492 OD2 ASP A 31 -16.392 5.887 3.761 1.00 0.00 O ATOM 0 H ASP A 31 -12.874 6.598 2.313 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.811 5.207 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.197 4.680 1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.992 3.783 2.967 1.00 0.00 H new ATOM 497 N PHE A 32 -11.689 3.851 2.509 1.00 0.00 N ATOM 498 CA PHE A 32 -10.797 2.733 2.234 1.00 0.00 C ATOM 499 C PHE A 32 -9.687 2.617 3.275 1.00 0.00 C ATOM 500 O PHE A 32 -9.183 1.531 3.524 1.00 0.00 O ATOM 501 CB PHE A 32 -10.195 2.880 0.838 1.00 0.00 C ATOM 502 CG PHE A 32 -9.424 1.674 0.373 1.00 0.00 C ATOM 503 CD1 PHE A 32 -8.080 1.545 0.660 1.00 0.00 C ATOM 504 CD2 PHE A 32 -10.045 0.673 -0.360 1.00 0.00 C ATOM 505 CE1 PHE A 32 -7.367 0.448 0.232 1.00 0.00 C ATOM 506 CE2 PHE A 32 -9.334 -0.431 -0.792 1.00 0.00 C ATOM 507 CZ PHE A 32 -7.993 -0.541 -0.494 1.00 0.00 C ATOM 0 H PHE A 32 -11.686 4.571 1.787 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.388 1.818 2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.997 3.082 0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.534 3.747 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.581 2.316 1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.096 0.757 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.316 0.363 0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.828 -1.205 -1.361 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.434 -1.402 -0.829 1.00 0.00 H new ATOM 517 N LYS A 33 -9.308 3.724 3.893 1.00 0.00 N ATOM 518 CA LYS A 33 -8.272 3.688 4.920 1.00 0.00 C ATOM 519 C LYS A 33 -8.739 2.919 6.160 1.00 0.00 C ATOM 520 O LYS A 33 -7.955 2.646 7.069 1.00 0.00 O ATOM 521 CB LYS A 33 -7.832 5.101 5.303 1.00 0.00 C ATOM 522 CG LYS A 33 -8.975 6.012 5.712 1.00 0.00 C ATOM 523 CD LYS A 33 -8.472 7.285 6.378 1.00 0.00 C ATOM 524 CE LYS A 33 -7.569 8.102 5.466 1.00 0.00 C ATOM 525 NZ LYS A 33 -6.853 9.176 6.215 1.00 0.00 N ATOM 0 H LYS A 33 -9.695 4.649 3.707 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.415 3.161 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.118 5.038 6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.308 5.549 4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.566 6.270 4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.636 5.481 6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.324 7.894 6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.927 7.025 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.842 7.444 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.164 8.549 4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.915 9.329 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.402 10.058 6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.742 8.891 7.209 1.00 0.00 H new ATOM 539 N GLU A 34 -10.022 2.575 6.192 1.00 0.00 N ATOM 540 CA GLU A 34 -10.569 1.771 7.273 1.00 0.00 C ATOM 541 C GLU A 34 -10.834 0.351 6.789 1.00 0.00 C ATOM 542 O GLU A 34 -11.386 -0.478 7.510 1.00 0.00 O ATOM 543 CB GLU A 34 -11.853 2.393 7.806 1.00 0.00 C ATOM 544 CG GLU A 34 -11.691 3.842 8.227 1.00 0.00 C ATOM 545 CD GLU A 34 -12.855 4.334 9.057 1.00 0.00 C ATOM 546 OE1 GLU A 34 -12.697 4.460 10.291 1.00 0.00 O ATOM 547 OE2 GLU A 34 -13.933 4.588 8.484 1.00 0.00 O ATOM 0 H GLU A 34 -10.701 2.842 5.480 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.840 1.738 8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.625 2.329 7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.203 1.811 8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.769 3.951 8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.591 4.467 7.339 1.00 0.00 H new ATOM 554 N LEU A 35 -10.434 0.087 5.558 1.00 0.00 N ATOM 555 CA LEU A 35 -10.566 -1.229 4.964 1.00 0.00 C ATOM 556 C LEU A 35 -9.511 -2.152 5.562 1.00 0.00 C ATOM 557 O LEU A 35 -8.313 -1.926 5.411 1.00 0.00 O ATOM 558 CB LEU A 35 -10.434 -1.090 3.437 1.00 0.00 C ATOM 559 CG LEU A 35 -10.511 -2.360 2.588 1.00 0.00 C ATOM 560 CD1 LEU A 35 -9.150 -3.023 2.486 1.00 0.00 C ATOM 561 CD2 LEU A 35 -11.546 -3.323 3.149 1.00 0.00 C ATOM 0 H LEU A 35 -10.008 0.780 4.943 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.540 -1.669 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.217 -0.413 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.480 -0.606 3.228 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.824 -2.079 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.229 -3.924 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.443 -2.334 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.799 -3.288 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.583 -4.219 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.273 -3.598 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.525 -2.843 3.153 1.00 0.00 H new ATOM 573 N ARG A 36 -9.963 -3.175 6.272 1.00 0.00 N ATOM 574 CA ARG A 36 -9.052 -4.060 6.982 1.00 0.00 C ATOM 575 C ARG A 36 -9.181 -5.489 6.484 1.00 0.00 C ATOM 576 O ARG A 36 -10.152 -5.818 5.810 1.00 0.00 O ATOM 577 CB ARG A 36 -9.311 -4.006 8.487 1.00 0.00 C ATOM 578 CG ARG A 36 -9.283 -2.600 9.069 1.00 0.00 C ATOM 579 CD ARG A 36 -8.021 -1.847 8.669 1.00 0.00 C ATOM 580 NE ARG A 36 -6.803 -2.517 9.115 1.00 0.00 N ATOM 581 CZ ARG A 36 -5.575 -2.125 8.777 1.00 0.00 C ATOM 582 NH1 ARG A 36 -5.406 -1.074 7.985 1.00 0.00 N ATOM 583 NH2 ARG A 36 -4.518 -2.788 9.229 1.00 0.00 N ATOM 0 H ARG A 36 -10.950 -3.412 6.372 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.036 -3.717 6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.282 -4.455 8.695 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.563 -4.614 8.996 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.159 -2.048 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.344 -2.655 10.156 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.995 -1.738 7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.053 -0.842 9.089 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.897 -3.332 9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.217 -0.564 7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.465 -0.776 7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.645 -3.598 9.835 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.578 -2.487 8.970 1.00 0.00 H new ATOM 597 N GLU A 37 -8.230 -6.337 6.835 1.00 0.00 N ATOM 598 CA GLU A 37 -8.172 -7.691 6.297 1.00 0.00 C ATOM 599 C GLU A 37 -9.420 -8.481 6.667 1.00 0.00 C ATOM 600 O GLU A 37 -9.982 -9.203 5.838 1.00 0.00 O ATOM 601 CB GLU A 37 -6.914 -8.395 6.794 1.00 0.00 C ATOM 602 CG GLU A 37 -6.665 -9.732 6.131 1.00 0.00 C ATOM 603 CD GLU A 37 -5.312 -10.307 6.489 1.00 0.00 C ATOM 604 OE1 GLU A 37 -5.233 -11.104 7.444 1.00 0.00 O ATOM 605 OE2 GLU A 37 -4.318 -9.958 5.823 1.00 0.00 O ATOM 0 H GLU A 37 -7.483 -6.113 7.493 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.132 -7.631 5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.054 -7.748 6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.992 -8.542 7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.445 -10.433 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.734 -9.617 5.049 1.00 0.00 H new ATOM 612 N THR A 38 -9.869 -8.304 7.899 1.00 0.00 N ATOM 613 CA THR A 38 -11.086 -8.941 8.373 1.00 0.00 C ATOM 614 C THR A 38 -12.279 -8.515 7.520 1.00 0.00 C ATOM 615 O THR A 38 -13.248 -9.255 7.361 1.00 0.00 O ATOM 616 CB THR A 38 -11.339 -8.573 9.846 1.00 0.00 C ATOM 617 OG1 THR A 38 -10.188 -8.911 10.628 1.00 0.00 O ATOM 618 CG2 THR A 38 -12.560 -9.293 10.396 1.00 0.00 C ATOM 0 H THR A 38 -9.404 -7.719 8.594 1.00 0.00 H new ATOM 0 HA THR A 38 -10.964 -10.021 8.291 1.00 0.00 H new ATOM 0 HB THR A 38 -11.526 -7.501 9.902 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.349 -8.675 11.565 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.710 -9.011 11.438 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.439 -9.015 9.814 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.407 -10.370 10.330 1.00 0.00 H new ATOM 626 N HIS A 39 -12.176 -7.327 6.938 1.00 0.00 N ATOM 627 CA HIS A 39 -13.246 -6.782 6.121 1.00 0.00 C ATOM 628 C HIS A 39 -13.246 -7.455 4.759 1.00 0.00 C ATOM 629 O HIS A 39 -14.296 -7.690 4.183 1.00 0.00 O ATOM 630 CB HIS A 39 -13.104 -5.264 5.960 1.00 0.00 C ATOM 631 CG HIS A 39 -13.144 -4.503 7.252 1.00 0.00 C ATOM 632 ND1 HIS A 39 -13.223 -3.132 7.314 1.00 0.00 N ATOM 633 CD2 HIS A 39 -13.078 -4.928 8.536 1.00 0.00 C ATOM 634 CE1 HIS A 39 -13.197 -2.746 8.574 1.00 0.00 C ATOM 635 NE2 HIS A 39 -13.111 -3.817 9.337 1.00 0.00 N ATOM 0 H HIS A 39 -11.358 -6.723 7.019 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.194 -6.978 6.623 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -12.163 -5.050 5.454 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -13.903 -4.902 5.313 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -13.291 -2.509 6.509 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -13.012 -5.954 8.868 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.239 -1.725 8.922 1.00 0.00 H new ATOM 644 N LEU A 40 -12.056 -7.784 4.260 1.00 0.00 N ATOM 645 CA LEU A 40 -11.929 -8.491 2.985 1.00 0.00 C ATOM 646 C LEU A 40 -12.562 -9.866 3.072 1.00 0.00 C ATOM 647 O LEU A 40 -13.080 -10.385 2.085 1.00 0.00 O ATOM 648 CB LEU A 40 -10.469 -8.632 2.563 1.00 0.00 C ATOM 649 CG LEU A 40 -9.865 -7.407 1.888 1.00 0.00 C ATOM 650 CD1 LEU A 40 -9.611 -6.314 2.894 1.00 0.00 C ATOM 651 CD2 LEU A 40 -8.587 -7.770 1.167 1.00 0.00 C ATOM 0 H LEU A 40 -11.168 -7.574 4.716 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.450 -7.897 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.875 -8.871 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.385 -9.480 1.883 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.581 -7.037 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.180 -5.449 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.551 -6.028 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.918 -6.674 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.172 -6.881 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.867 -8.169 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.799 -8.522 0.407 1.00 0.00 H new ATOM 663 N ASN A 41 -12.511 -10.451 4.257 1.00 0.00 N ATOM 664 CA ASN A 41 -13.179 -11.720 4.508 1.00 0.00 C ATOM 665 C ASN A 41 -14.680 -11.564 4.307 1.00 0.00 C ATOM 666 O ASN A 41 -15.360 -12.472 3.831 1.00 0.00 O ATOM 667 CB ASN A 41 -12.885 -12.216 5.924 1.00 0.00 C ATOM 668 CG ASN A 41 -11.438 -12.624 6.110 1.00 0.00 C ATOM 669 OD1 ASN A 41 -10.767 -13.036 5.166 1.00 0.00 O ATOM 670 ND2 ASN A 41 -10.948 -12.529 7.334 1.00 0.00 N ATOM 0 H ASN A 41 -12.014 -10.068 5.061 1.00 0.00 H new ATOM 0 HA ASN A 41 -12.799 -12.458 3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.132 -11.431 6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.530 -13.066 6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.983 -12.802 7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.535 -12.182 8.093 1.00 0.00 H new ATOM 677 N GLU A 42 -15.178 -10.385 4.648 1.00 0.00 N ATOM 678 CA GLU A 42 -16.580 -10.053 4.470 1.00 0.00 C ATOM 679 C GLU A 42 -16.863 -9.717 3.011 1.00 0.00 C ATOM 680 O GLU A 42 -17.911 -10.069 2.467 1.00 0.00 O ATOM 681 CB GLU A 42 -16.936 -8.867 5.360 1.00 0.00 C ATOM 682 CG GLU A 42 -16.708 -9.133 6.837 1.00 0.00 C ATOM 683 CD GLU A 42 -17.535 -10.292 7.348 1.00 0.00 C ATOM 684 OE1 GLU A 42 -17.070 -11.446 7.257 1.00 0.00 O ATOM 685 OE2 GLU A 42 -18.658 -10.059 7.841 1.00 0.00 O ATOM 0 H GLU A 42 -14.621 -9.634 5.055 1.00 0.00 H new ATOM 0 HA GLU A 42 -17.190 -10.912 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -16.342 -8.004 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -17.982 -8.605 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.652 -9.341 7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.952 -8.237 7.407 1.00 0.00 H new ATOM 692 N LEU A 43 -15.901 -9.052 2.384 1.00 0.00 N ATOM 693 CA LEU A 43 -16.013 -8.621 0.996 1.00 0.00 C ATOM 694 C LEU A 43 -15.806 -9.790 0.039 1.00 0.00 C ATOM 695 O LEU A 43 -15.986 -9.655 -1.171 1.00 0.00 O ATOM 696 CB LEU A 43 -14.968 -7.546 0.709 1.00 0.00 C ATOM 697 CG LEU A 43 -14.952 -6.374 1.686 1.00 0.00 C ATOM 698 CD1 LEU A 43 -13.822 -5.424 1.360 1.00 0.00 C ATOM 699 CD2 LEU A 43 -16.274 -5.643 1.674 1.00 0.00 C ATOM 0 H LEU A 43 -15.018 -8.795 2.825 1.00 0.00 H new ATOM 0 HA LEU A 43 -17.015 -8.221 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.982 -8.011 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -15.137 -7.158 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.792 -6.773 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.828 -4.595 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.871 -5.953 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.951 -5.038 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.237 -4.812 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.469 -5.261 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.071 -6.328 1.963 1.00 0.00 H new ATOM 711 N ASN A 44 -15.397 -10.923 0.604 1.00 0.00 N ATOM 712 CA ASN A 44 -15.159 -12.155 -0.148 1.00 0.00 C ATOM 713 C ASN A 44 -13.939 -11.999 -1.051 1.00 0.00 C ATOM 714 O ASN A 44 -13.792 -12.685 -2.059 1.00 0.00 O ATOM 715 CB ASN A 44 -16.400 -12.547 -0.958 1.00 0.00 C ATOM 716 CG ASN A 44 -16.397 -14.008 -1.382 1.00 0.00 C ATOM 717 OD1 ASN A 44 -16.829 -14.882 -0.631 1.00 0.00 O ATOM 718 ND2 ASN A 44 -15.922 -14.286 -2.584 1.00 0.00 N ATOM 0 H ASN A 44 -15.220 -11.014 1.604 1.00 0.00 H new ATOM 0 HA ASN A 44 -14.957 -12.959 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -17.292 -12.349 -0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -16.462 -11.917 -1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -15.906 -15.251 -2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -15.572 -13.536 -3.180 1.00 0.00 H new ATOM 725 N ILE A 45 -13.054 -11.093 -0.669 1.00 0.00 N ATOM 726 CA ILE A 45 -11.811 -10.895 -1.391 1.00 0.00 C ATOM 727 C ILE A 45 -10.778 -11.888 -0.895 1.00 0.00 C ATOM 728 O ILE A 45 -9.965 -11.586 -0.027 1.00 0.00 O ATOM 729 CB ILE A 45 -11.280 -9.456 -1.255 1.00 0.00 C ATOM 730 CG1 ILE A 45 -12.342 -8.470 -1.742 1.00 0.00 C ATOM 731 CG2 ILE A 45 -9.988 -9.291 -2.052 1.00 0.00 C ATOM 732 CD1 ILE A 45 -11.971 -7.021 -1.536 1.00 0.00 C ATOM 0 H ILE A 45 -13.175 -10.482 0.139 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.008 -11.061 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.062 -9.251 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.523 -8.641 -2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.278 -8.673 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.624 -8.269 -1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.237 -9.985 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.180 -9.501 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.774 -6.384 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.819 -6.832 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -11.052 -6.800 -2.079 1.00 0.00 H new ATOM 744 N MET A 46 -10.856 -13.095 -1.421 1.00 0.00 N ATOM 745 CA MET A 46 -10.011 -14.190 -0.975 1.00 0.00 C ATOM 746 C MET A 46 -8.760 -14.304 -1.831 1.00 0.00 C ATOM 747 O MET A 46 -8.030 -15.290 -1.750 1.00 0.00 O ATOM 748 CB MET A 46 -10.791 -15.501 -1.012 1.00 0.00 C ATOM 749 CG MET A 46 -12.014 -15.525 -0.106 1.00 0.00 C ATOM 750 SD MET A 46 -11.598 -15.513 1.652 1.00 0.00 S ATOM 751 CE MET A 46 -11.566 -13.757 2.005 1.00 0.00 C ATOM 0 H MET A 46 -11.504 -13.346 -2.167 1.00 0.00 H new ATOM 0 HA MET A 46 -9.702 -13.983 0.050 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.108 -15.693 -2.037 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.125 -16.315 -0.726 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.641 -14.662 -0.330 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.604 -16.414 -0.327 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.870 -13.588 3.038 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.556 -13.374 1.857 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.252 -13.239 1.335 1.00 0.00 H new ATOM 761 N ASP A 47 -8.523 -13.294 -2.654 1.00 0.00 N ATOM 762 CA ASP A 47 -7.320 -13.230 -3.475 1.00 0.00 C ATOM 763 C ASP A 47 -6.132 -12.807 -2.618 1.00 0.00 C ATOM 764 O ASP A 47 -5.982 -11.630 -2.322 1.00 0.00 O ATOM 765 CB ASP A 47 -7.504 -12.221 -4.608 1.00 0.00 C ATOM 766 CG ASP A 47 -8.537 -12.630 -5.632 1.00 0.00 C ATOM 767 OD1 ASP A 47 -9.601 -11.978 -5.692 1.00 0.00 O ATOM 768 OD2 ASP A 47 -8.285 -13.585 -6.394 1.00 0.00 O ATOM 0 H ASP A 47 -9.153 -12.500 -2.773 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.136 -14.217 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.790 -11.260 -4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.548 -12.075 -5.110 1.00 0.00 H new ATOM 773 N PRO A 48 -5.273 -13.758 -2.219 1.00 0.00 N ATOM 774 CA PRO A 48 -4.268 -13.548 -1.161 1.00 0.00 C ATOM 775 C PRO A 48 -3.384 -12.322 -1.371 1.00 0.00 C ATOM 776 O PRO A 48 -3.313 -11.446 -0.505 1.00 0.00 O ATOM 777 CB PRO A 48 -3.424 -14.818 -1.208 1.00 0.00 C ATOM 778 CG PRO A 48 -4.311 -15.843 -1.813 1.00 0.00 C ATOM 779 CD PRO A 48 -5.193 -15.113 -2.783 1.00 0.00 C ATOM 0 HA PRO A 48 -4.755 -13.363 -0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.524 -14.672 -1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.100 -15.115 -0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.728 -16.612 -2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.904 -16.345 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.767 -15.106 -3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.177 -15.576 -2.858 1.00 0.00 H new ATOM 787 N GLN A 49 -2.714 -12.260 -2.513 1.00 0.00 N ATOM 788 CA GLN A 49 -1.824 -11.147 -2.815 1.00 0.00 C ATOM 789 C GLN A 49 -2.624 -9.876 -3.026 1.00 0.00 C ATOM 790 O GLN A 49 -2.188 -8.785 -2.676 1.00 0.00 O ATOM 791 CB GLN A 49 -0.976 -11.455 -4.050 1.00 0.00 C ATOM 792 CG GLN A 49 0.134 -12.458 -3.783 1.00 0.00 C ATOM 793 CD GLN A 49 0.865 -12.879 -5.041 1.00 0.00 C ATOM 794 OE1 GLN A 49 0.483 -13.841 -5.703 1.00 0.00 O ATOM 795 NE2 GLN A 49 1.930 -12.169 -5.370 1.00 0.00 N ATOM 0 H GLN A 49 -2.770 -12.967 -3.246 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.154 -11.001 -1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.622 -11.840 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.537 -10.529 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.848 -12.024 -3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.289 -13.340 -3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.213 -11.377 -4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.469 -12.413 -6.201 1.00 0.00 H new ATOM 804 N HIS A 50 -3.815 -10.033 -3.569 1.00 0.00 N ATOM 805 CA HIS A 50 -4.689 -8.900 -3.829 1.00 0.00 C ATOM 806 C HIS A 50 -5.173 -8.309 -2.515 1.00 0.00 C ATOM 807 O HIS A 50 -5.314 -7.095 -2.381 1.00 0.00 O ATOM 808 CB HIS A 50 -5.866 -9.333 -4.698 1.00 0.00 C ATOM 809 CG HIS A 50 -5.459 -9.786 -6.073 1.00 0.00 C ATOM 810 ND1 HIS A 50 -6.347 -9.972 -7.112 1.00 0.00 N ATOM 811 CD2 HIS A 50 -4.238 -10.095 -6.573 1.00 0.00 C ATOM 812 CE1 HIS A 50 -5.689 -10.378 -8.182 1.00 0.00 C ATOM 813 NE2 HIS A 50 -4.410 -10.459 -7.881 1.00 0.00 N ATOM 0 H HIS A 50 -4.203 -10.936 -3.840 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.133 -8.133 -4.368 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.397 -10.143 -4.199 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.565 -8.502 -4.790 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.354 -9.820 -7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.301 -10.060 -6.037 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.126 -10.605 -9.143 1.00 0.00 H new ATOM 822 N ARG A 51 -5.414 -9.187 -1.548 1.00 0.00 N ATOM 823 CA ARG A 51 -5.712 -8.782 -0.183 1.00 0.00 C ATOM 824 C ARG A 51 -4.578 -7.940 0.354 1.00 0.00 C ATOM 825 O ARG A 51 -4.777 -6.820 0.822 1.00 0.00 O ATOM 826 CB ARG A 51 -5.882 -10.008 0.717 1.00 0.00 C ATOM 827 CG ARG A 51 -7.079 -10.867 0.373 1.00 0.00 C ATOM 828 CD ARG A 51 -7.089 -12.159 1.174 1.00 0.00 C ATOM 829 NE ARG A 51 -7.197 -11.923 2.614 1.00 0.00 N ATOM 830 CZ ARG A 51 -7.614 -12.840 3.489 1.00 0.00 C ATOM 831 NH1 ARG A 51 -7.919 -14.065 3.078 1.00 0.00 N ATOM 832 NH2 ARG A 51 -7.707 -12.536 4.776 1.00 0.00 N ATOM 0 H ARG A 51 -5.408 -10.197 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.639 -8.209 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.981 -10.618 0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.972 -9.676 1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.995 -10.310 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.067 -11.099 -0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.923 -12.779 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.176 -12.718 0.968 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.938 -11.003 2.970 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.835 -14.307 2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.237 -14.764 3.749 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.460 -11.600 5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.026 -13.238 5.444 1.00 0.00 H new ATOM 846 N ALA A 52 -3.382 -8.495 0.250 1.00 0.00 N ATOM 847 CA ALA A 52 -2.180 -7.860 0.744 1.00 0.00 C ATOM 848 C ALA A 52 -2.020 -6.451 0.179 1.00 0.00 C ATOM 849 O ALA A 52 -1.654 -5.521 0.900 1.00 0.00 O ATOM 850 CB ALA A 52 -0.988 -8.729 0.395 1.00 0.00 C ATOM 0 H ALA A 52 -3.221 -9.404 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.249 -7.757 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.076 -8.260 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.104 -9.709 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.926 -8.844 -0.687 1.00 0.00 H new ATOM 856 N LYS A 53 -2.311 -6.297 -1.108 1.00 0.00 N ATOM 857 CA LYS A 53 -2.245 -4.992 -1.752 1.00 0.00 C ATOM 858 C LYS A 53 -3.291 -4.051 -1.171 1.00 0.00 C ATOM 859 O LYS A 53 -2.971 -2.943 -0.746 1.00 0.00 O ATOM 860 CB LYS A 53 -2.434 -5.117 -3.267 1.00 0.00 C ATOM 861 CG LYS A 53 -1.468 -6.097 -3.911 1.00 0.00 C ATOM 862 CD LYS A 53 -1.312 -5.881 -5.411 1.00 0.00 C ATOM 863 CE LYS A 53 -0.267 -4.820 -5.719 1.00 0.00 C ATOM 864 NZ LYS A 53 -0.021 -4.687 -7.180 1.00 0.00 N ATOM 0 H LYS A 53 -2.594 -7.059 -1.724 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.256 -4.577 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.456 -5.435 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.306 -4.136 -3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.493 -6.005 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.816 -7.114 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.029 -6.820 -5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.270 -5.584 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.595 -3.861 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.666 -5.074 -5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.940 -4.322 -7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.117 -5.618 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.713 -4.028 -7.590 1.00 0.00 H new ATOM 878 N LEU A 54 -4.536 -4.512 -1.136 1.00 0.00 N ATOM 879 CA LEU A 54 -5.643 -3.715 -0.618 1.00 0.00 C ATOM 880 C LEU A 54 -5.354 -3.206 0.790 1.00 0.00 C ATOM 881 O LEU A 54 -5.555 -2.028 1.086 1.00 0.00 O ATOM 882 CB LEU A 54 -6.923 -4.543 -0.623 1.00 0.00 C ATOM 883 CG LEU A 54 -7.460 -4.889 -2.011 1.00 0.00 C ATOM 884 CD1 LEU A 54 -8.536 -5.947 -1.913 1.00 0.00 C ATOM 885 CD2 LEU A 54 -8.002 -3.647 -2.692 1.00 0.00 C ATOM 0 H LEU A 54 -4.806 -5.440 -1.462 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.768 -2.848 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.741 -5.470 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.693 -3.998 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.640 -5.284 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.908 -6.182 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.121 -6.847 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.356 -5.576 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.381 -3.910 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.810 -3.227 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.205 -2.910 -2.793 1.00 0.00 H new ATOM 897 N LEU A 55 -4.867 -4.092 1.649 1.00 0.00 N ATOM 898 CA LEU A 55 -4.531 -3.719 3.015 1.00 0.00 C ATOM 899 C LEU A 55 -3.453 -2.655 3.046 1.00 0.00 C ATOM 900 O LEU A 55 -3.563 -1.676 3.774 1.00 0.00 O ATOM 901 CB LEU A 55 -4.068 -4.931 3.825 1.00 0.00 C ATOM 902 CG LEU A 55 -5.174 -5.707 4.533 1.00 0.00 C ATOM 903 CD1 LEU A 55 -6.049 -4.752 5.322 1.00 0.00 C ATOM 904 CD2 LEU A 55 -6.002 -6.510 3.545 1.00 0.00 C ATOM 0 H LEU A 55 -4.696 -5.072 1.424 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.439 -3.318 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.540 -5.612 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.349 -4.594 4.572 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.713 -6.414 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.837 -5.312 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.443 -4.232 6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.497 -4.025 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.782 -7.052 4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.460 -5.836 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.359 -7.219 3.024 1.00 0.00 H new ATOM 916 N THR A 56 -2.423 -2.845 2.242 1.00 0.00 N ATOM 917 CA THR A 56 -1.307 -1.916 2.194 1.00 0.00 C ATOM 918 C THR A 56 -1.765 -0.539 1.748 1.00 0.00 C ATOM 919 O THR A 56 -1.327 0.480 2.284 1.00 0.00 O ATOM 920 CB THR A 56 -0.232 -2.425 1.239 1.00 0.00 C ATOM 921 OG1 THR A 56 0.138 -3.745 1.623 1.00 0.00 O ATOM 922 CG2 THR A 56 0.988 -1.524 1.262 1.00 0.00 C ATOM 0 H THR A 56 -2.335 -3.640 1.609 1.00 0.00 H new ATOM 0 HA THR A 56 -0.893 -1.841 3.200 1.00 0.00 H new ATOM 0 HB THR A 56 -0.632 -2.426 0.225 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.427 -4.393 1.153 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.739 -1.910 0.572 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.702 -0.516 0.960 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.401 -1.497 2.270 1.00 0.00 H new ATOM 930 N ALA A 57 -2.653 -0.520 0.767 1.00 0.00 N ATOM 931 CA ALA A 57 -3.221 0.719 0.293 1.00 0.00 C ATOM 932 C ALA A 57 -3.954 1.424 1.427 1.00 0.00 C ATOM 933 O ALA A 57 -3.795 2.624 1.626 1.00 0.00 O ATOM 934 CB ALA A 57 -4.143 0.463 -0.885 1.00 0.00 C ATOM 0 H ALA A 57 -2.993 -1.353 0.287 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.418 1.371 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.563 1.408 -1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.579 -0.001 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.950 -0.202 -0.578 1.00 0.00 H new ATOM 940 N ALA A 58 -4.723 0.662 2.190 1.00 0.00 N ATOM 941 CA ALA A 58 -5.442 1.204 3.331 1.00 0.00 C ATOM 942 C ALA A 58 -4.477 1.703 4.402 1.00 0.00 C ATOM 943 O ALA A 58 -4.677 2.775 4.977 1.00 0.00 O ATOM 944 CB ALA A 58 -6.375 0.157 3.910 1.00 0.00 C ATOM 0 H ALA A 58 -4.865 -0.337 2.038 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.033 2.053 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.907 0.576 4.764 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.093 -0.150 3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.796 -0.708 4.233 1.00 0.00 H new ATOM 950 N GLU A 59 -3.428 0.921 4.649 1.00 0.00 N ATOM 951 CA GLU A 59 -2.409 1.273 5.632 1.00 0.00 C ATOM 952 C GLU A 59 -1.788 2.622 5.301 1.00 0.00 C ATOM 953 O GLU A 59 -1.666 3.496 6.163 1.00 0.00 O ATOM 954 CB GLU A 59 -1.315 0.200 5.675 1.00 0.00 C ATOM 955 CG GLU A 59 -1.794 -1.162 6.156 1.00 0.00 C ATOM 956 CD GLU A 59 -2.204 -1.179 7.618 1.00 0.00 C ATOM 957 OE1 GLU A 59 -1.884 -2.164 8.318 1.00 0.00 O ATOM 958 OE2 GLU A 59 -2.861 -0.225 8.074 1.00 0.00 O ATOM 0 H GLU A 59 -3.262 0.032 4.177 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.888 1.335 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.889 0.091 4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.512 0.542 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.641 -1.477 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.000 -1.893 6.001 1.00 0.00 H new ATOM 965 N LEU A 60 -1.402 2.790 4.044 1.00 0.00 N ATOM 966 CA LEU A 60 -0.791 4.030 3.607 1.00 0.00 C ATOM 967 C LEU A 60 -1.802 5.161 3.544 1.00 0.00 C ATOM 968 O LEU A 60 -1.549 6.221 4.080 1.00 0.00 O ATOM 969 CB LEU A 60 -0.102 3.863 2.257 1.00 0.00 C ATOM 970 CG LEU A 60 1.382 3.512 2.331 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.594 2.199 3.060 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.972 3.457 0.938 1.00 0.00 C ATOM 0 H LEU A 60 -1.502 2.084 3.314 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.037 4.291 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.617 3.083 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.214 4.788 1.692 1.00 0.00 H new ATOM 0 HG LEU A 60 1.894 4.290 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.659 1.972 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.203 2.279 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.072 1.401 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.031 3.206 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.453 2.698 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.857 4.428 0.456 1.00 0.00 H new ATOM 984 N LEU A 61 -2.951 4.934 2.915 1.00 0.00 N ATOM 985 CA LEU A 61 -3.970 5.980 2.786 1.00 0.00 C ATOM 986 C LEU A 61 -4.392 6.520 4.144 1.00 0.00 C ATOM 987 O LEU A 61 -4.806 7.672 4.264 1.00 0.00 O ATOM 988 CB LEU A 61 -5.200 5.453 2.051 1.00 0.00 C ATOM 989 CG LEU A 61 -4.998 5.146 0.571 1.00 0.00 C ATOM 990 CD1 LEU A 61 -6.267 4.561 -0.009 1.00 0.00 C ATOM 991 CD2 LEU A 61 -4.589 6.398 -0.189 1.00 0.00 C ATOM 0 H LEU A 61 -3.203 4.043 2.488 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.523 6.791 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.539 4.545 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.001 6.186 2.146 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.195 4.416 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.117 4.344 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.518 3.641 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.082 5.277 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.450 6.155 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.368 7.154 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.655 6.783 0.220 1.00 0.00 H new ATOM 1003 N LEU A 62 -4.289 5.679 5.162 1.00 0.00 N ATOM 1004 CA LEU A 62 -4.620 6.065 6.522 1.00 0.00 C ATOM 1005 C LEU A 62 -3.733 7.217 6.987 1.00 0.00 C ATOM 1006 O LEU A 62 -4.185 8.116 7.696 1.00 0.00 O ATOM 1007 CB LEU A 62 -4.465 4.856 7.447 1.00 0.00 C ATOM 1008 CG LEU A 62 -4.887 5.069 8.900 1.00 0.00 C ATOM 1009 CD1 LEU A 62 -6.334 5.525 8.980 1.00 0.00 C ATOM 1010 CD2 LEU A 62 -4.691 3.788 9.692 1.00 0.00 C ATOM 0 H LEU A 62 -3.975 4.713 5.068 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.654 6.407 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.048 4.032 7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.420 4.545 7.434 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.261 5.850 9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.613 5.670 10.024 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.450 6.464 8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.979 4.768 8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.994 3.950 10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.297 2.994 9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.640 3.499 9.663 1.00 0.00 H new ATOM 1022 N ASP A 63 -2.483 7.197 6.553 1.00 0.00 N ATOM 1023 CA ASP A 63 -1.504 8.187 6.983 1.00 0.00 C ATOM 1024 C ASP A 63 -1.161 9.164 5.858 1.00 0.00 C ATOM 1025 O ASP A 63 -0.904 10.345 6.092 1.00 0.00 O ATOM 1026 CB ASP A 63 -0.236 7.471 7.446 1.00 0.00 C ATOM 1027 CG ASP A 63 0.679 8.364 8.254 1.00 0.00 C ATOM 1028 OD1 ASP A 63 0.548 8.377 9.494 1.00 0.00 O ATOM 1029 OD2 ASP A 63 1.544 9.044 7.663 1.00 0.00 O ATOM 0 H ASP A 63 -2.119 6.503 5.900 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.935 8.761 7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.512 6.604 8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.304 7.098 6.576 1.00 0.00 H new ATOM 1034 N TYR A 64 -1.183 8.659 4.636 1.00 0.00 N ATOM 1035 CA TYR A 64 -0.717 9.394 3.468 1.00 0.00 C ATOM 1036 C TYR A 64 -1.869 9.878 2.597 1.00 0.00 C ATOM 1037 O TYR A 64 -1.763 9.867 1.374 1.00 0.00 O ATOM 1038 CB TYR A 64 0.183 8.499 2.614 1.00 0.00 C ATOM 1039 CG TYR A 64 1.463 8.073 3.283 1.00 0.00 C ATOM 1040 CD1 TYR A 64 1.527 6.898 4.013 1.00 0.00 C ATOM 1041 CD2 TYR A 64 2.612 8.840 3.170 1.00 0.00 C ATOM 1042 CE1 TYR A 64 2.699 6.497 4.611 1.00 0.00 C ATOM 1043 CE2 TYR A 64 3.790 8.450 3.769 1.00 0.00 C ATOM 1044 CZ TYR A 64 3.829 7.277 4.489 1.00 0.00 C ATOM 1045 OH TYR A 64 5.003 6.871 5.075 1.00 0.00 O ATOM 0 H TYR A 64 -1.526 7.722 4.423 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.169 10.261 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.377 7.608 2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.429 9.027 1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.642 6.287 4.114 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.583 9.759 2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.734 5.576 5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.676 9.060 3.674 1.00 0.00 H new ATOM 0 HH TYR A 64 5.442 7.640 5.495 1.00 0.00 H new ATOM 1055 N ASP A 65 -2.958 10.319 3.205 1.00 0.00 N ATOM 1056 CA ASP A 65 -4.097 10.825 2.439 1.00 0.00 C ATOM 1057 C ASP A 65 -3.844 12.255 1.959 1.00 0.00 C ATOM 1058 O ASP A 65 -4.729 13.107 1.992 1.00 0.00 O ATOM 1059 CB ASP A 65 -5.390 10.751 3.260 1.00 0.00 C ATOM 1060 CG ASP A 65 -5.329 11.552 4.545 1.00 0.00 C ATOM 1061 OD1 ASP A 65 -4.686 11.079 5.505 1.00 0.00 O ATOM 1062 OD2 ASP A 65 -5.944 12.635 4.612 1.00 0.00 O ATOM 0 H ASP A 65 -3.082 10.339 4.217 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.216 10.189 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.219 11.114 2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.602 9.709 3.499 1.00 0.00 H new ATOM 1067 N THR A 66 -2.622 12.486 1.481 1.00 0.00 N ATOM 1068 CA THR A 66 -2.175 13.782 0.972 1.00 0.00 C ATOM 1069 C THR A 66 -2.484 14.941 1.923 1.00 0.00 C ATOM 1070 O THR A 66 -2.764 16.052 1.489 1.00 0.00 O ATOM 1071 CB THR A 66 -2.743 14.081 -0.438 1.00 0.00 C ATOM 1072 OG1 THR A 66 -4.147 13.800 -0.503 1.00 0.00 O ATOM 1073 CG2 THR A 66 -2.012 13.266 -1.492 1.00 0.00 C ATOM 0 H THR A 66 -1.902 11.765 1.436 1.00 0.00 H new ATOM 0 HA THR A 66 -1.090 13.703 0.899 1.00 0.00 H new ATOM 0 HB THR A 66 -2.592 15.142 -0.634 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.543 13.905 0.387 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.425 13.489 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.952 13.519 -1.477 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.134 12.204 -1.280 1.00 0.00 H new ATOM 1081 N GLY A 67 -2.389 14.688 3.221 1.00 0.00 N ATOM 1082 CA GLY A 67 -2.630 15.734 4.199 1.00 0.00 C ATOM 1083 C GLY A 67 -1.394 16.569 4.466 1.00 0.00 C ATOM 1084 O GLY A 67 -1.140 16.969 5.603 1.00 0.00 O ATOM 0 H GLY A 67 -2.150 13.778 3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.433 16.381 3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.970 15.284 5.132 1.00 0.00 H new ATOM 1088 N CYS A 68 -0.629 16.824 3.403 1.00 0.00 N ATOM 1089 CA CYS A 68 0.621 17.581 3.479 1.00 0.00 C ATOM 1090 C CYS A 68 1.668 16.872 4.341 1.00 0.00 C ATOM 1091 O CYS A 68 1.360 15.946 5.094 1.00 0.00 O ATOM 1092 CB CYS A 68 0.363 18.998 3.987 1.00 0.00 C ATOM 1093 SG CYS A 68 -0.572 20.037 2.814 1.00 0.00 S ATOM 0 H CYS A 68 -0.861 16.509 2.461 1.00 0.00 H new ATOM 0 HA CYS A 68 1.027 17.644 2.469 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.185 18.943 4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.318 19.477 4.202 1.00 0.00 H new ATOM 1098 N GLU A 69 2.915 17.292 4.206 1.00 0.00 N ATOM 1099 CA GLU A 69 4.009 16.668 4.928 1.00 0.00 C ATOM 1100 C GLU A 69 4.401 17.506 6.139 1.00 0.00 C ATOM 1101 O GLU A 69 4.851 18.655 5.959 1.00 0.00 O ATOM 1102 CB GLU A 69 5.208 16.436 4.001 1.00 0.00 C ATOM 1103 CG GLU A 69 5.701 17.684 3.287 1.00 0.00 C ATOM 1104 CD GLU A 69 6.849 17.391 2.346 1.00 0.00 C ATOM 1105 OE1 GLU A 69 7.926 16.984 2.828 1.00 0.00 O ATOM 1106 OE2 GLU A 69 6.682 17.571 1.122 1.00 0.00 O ATOM 1107 OXT GLU A 69 4.253 17.010 7.272 1.00 0.00 O ATOM 0 H GLU A 69 3.194 18.064 3.601 1.00 0.00 H new ATOM 0 HA GLU A 69 3.674 15.696 5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.028 16.019 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.936 15.689 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.879 18.128 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.018 18.421 4.025 1.00 0.00 H new TER 1114 GLU A 69 ATOM 1115 N GLY B 1 2.774 10.057 9.892 1.00 0.00 N ATOM 1116 CA GLY B 1 3.389 8.979 10.700 1.00 0.00 C ATOM 1117 C GLY B 1 4.763 8.604 10.189 1.00 0.00 C ATOM 1118 O GLY B 1 5.753 9.201 10.607 1.00 0.00 O ATOM 0 H1 GLY B 1 1.827 10.273 10.264 1.00 0.00 H new ATOM 0 H2 GLY B 1 3.368 10.909 9.941 1.00 0.00 H new ATOM 0 H3 GLY B 1 2.695 9.747 8.902 1.00 0.00 H new ATOM 0 HA2 GLY B 1 3.464 9.301 11.739 1.00 0.00 H new ATOM 0 HA3 GLY B 1 2.744 8.101 10.684 1.00 0.00 H new ATOM 1124 N PRO B 2 4.867 7.621 9.275 1.00 0.00 N ATOM 1125 CA PRO B 2 6.151 7.204 8.722 1.00 0.00 C ATOM 1126 C PRO B 2 6.768 8.283 7.845 1.00 0.00 C ATOM 1127 O PRO B 2 6.332 8.511 6.716 1.00 0.00 O ATOM 1128 CB PRO B 2 5.821 5.964 7.883 1.00 0.00 C ATOM 1129 CG PRO B 2 4.437 5.574 8.273 1.00 0.00 C ATOM 1130 CD PRO B 2 3.759 6.839 8.709 1.00 0.00 C ATOM 0 HA PRO B 2 6.880 7.007 9.509 1.00 0.00 H new ATOM 0 HB2 PRO B 2 5.881 6.184 6.817 1.00 0.00 H new ATOM 0 HB3 PRO B 2 6.526 5.157 8.082 1.00 0.00 H new ATOM 0 HG2 PRO B 2 3.910 5.117 7.436 1.00 0.00 H new ATOM 0 HG3 PRO B 2 4.451 4.841 9.079 1.00 0.00 H new ATOM 0 HD2 PRO B 2 3.286 7.354 7.873 1.00 0.00 H new ATOM 0 HD3 PRO B 2 2.980 6.647 9.447 1.00 0.00 H new ATOM 1138 N LYS B 3 7.759 8.965 8.386 1.00 0.00 N ATOM 1139 CA LYS B 3 8.501 9.962 7.636 1.00 0.00 C ATOM 1140 C LYS B 3 9.648 9.300 6.897 1.00 0.00 C ATOM 1141 O LYS B 3 10.195 9.853 5.944 1.00 0.00 O ATOM 1142 CB LYS B 3 9.048 11.039 8.570 1.00 0.00 C ATOM 1143 CG LYS B 3 7.977 11.753 9.380 1.00 0.00 C ATOM 1144 CD LYS B 3 7.048 12.581 8.502 1.00 0.00 C ATOM 1145 CE LYS B 3 7.786 13.712 7.800 1.00 0.00 C ATOM 1146 NZ LYS B 3 6.865 14.567 7.007 1.00 0.00 N ATOM 0 H LYS B 3 8.071 8.846 9.350 1.00 0.00 H new ATOM 0 HA LYS B 3 7.826 10.430 6.919 1.00 0.00 H new ATOM 0 HB2 LYS B 3 9.764 10.584 9.254 1.00 0.00 H new ATOM 0 HB3 LYS B 3 9.594 11.775 7.980 1.00 0.00 H new ATOM 0 HG2 LYS B 3 7.392 11.018 9.933 1.00 0.00 H new ATOM 0 HG3 LYS B 3 8.452 12.402 10.116 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.581 11.936 7.758 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.246 12.995 9.113 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.302 14.323 8.540 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.550 13.295 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 7.407 15.325 6.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 6.391 13.989 6.283 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 6.151 14.986 7.637 1.00 0.00 H new ATOM 1160 N THR B 4 10.002 8.107 7.344 1.00 0.00 N ATOM 1161 CA THR B 4 11.113 7.387 6.767 1.00 0.00 C ATOM 1162 C THR B 4 10.699 6.006 6.277 1.00 0.00 C ATOM 1163 O THR B 4 9.631 5.504 6.638 1.00 0.00 O ATOM 1164 CB THR B 4 12.276 7.259 7.764 1.00 0.00 C ATOM 1165 OG1 THR B 4 11.783 6.848 9.046 1.00 0.00 O ATOM 1166 CG2 THR B 4 13.016 8.577 7.900 1.00 0.00 C ATOM 0 H THR B 4 9.532 7.620 8.107 1.00 0.00 H new ATOM 0 HA THR B 4 11.449 7.968 5.908 1.00 0.00 H new ATOM 0 HB THR B 4 12.969 6.507 7.385 1.00 0.00 H new ATOM 0 HG1 THR B 4 12.531 6.768 9.674 1.00 0.00 H new ATOM 0 HG21 THR B 4 13.835 8.463 8.610 1.00 0.00 H new ATOM 0 HG22 THR B 4 13.416 8.872 6.930 1.00 0.00 H new ATOM 0 HG23 THR B 4 12.330 9.344 8.258 1.00 0.00 H new ATOM 1174 N LEU B 5 11.549 5.400 5.470 1.00 0.00 N ATOM 1175 CA LEU B 5 11.259 4.117 4.851 1.00 0.00 C ATOM 1176 C LEU B 5 11.029 3.041 5.912 1.00 0.00 C ATOM 1177 O LEU B 5 10.048 2.298 5.857 1.00 0.00 O ATOM 1178 CB LEU B 5 12.423 3.751 3.916 1.00 0.00 C ATOM 1179 CG LEU B 5 12.221 2.546 3.002 1.00 0.00 C ATOM 1180 CD1 LEU B 5 12.648 1.260 3.693 1.00 0.00 C ATOM 1181 CD2 LEU B 5 10.773 2.467 2.553 1.00 0.00 C ATOM 0 H LEU B 5 12.462 5.783 5.224 1.00 0.00 H new ATOM 0 HA LEU B 5 10.340 4.185 4.268 1.00 0.00 H new ATOM 0 HB2 LEU B 5 12.642 4.617 3.292 1.00 0.00 H new ATOM 0 HB3 LEU B 5 13.306 3.568 4.529 1.00 0.00 H new ATOM 0 HG LEU B 5 12.850 2.671 2.121 1.00 0.00 H new ATOM 0 HD11 LEU B 5 12.494 0.417 3.020 1.00 0.00 H new ATOM 0 HD12 LEU B 5 13.703 1.323 3.960 1.00 0.00 H new ATOM 0 HD13 LEU B 5 12.054 1.117 4.596 1.00 0.00 H new ATOM 0 HD21 LEU B 5 10.641 1.603 1.901 1.00 0.00 H new ATOM 0 HD22 LEU B 5 10.127 2.366 3.425 1.00 0.00 H new ATOM 0 HD23 LEU B 5 10.510 3.375 2.010 1.00 0.00 H new ATOM 1193 N HIS B 6 11.922 2.997 6.892 1.00 0.00 N ATOM 1194 CA HIS B 6 11.862 2.009 7.967 1.00 0.00 C ATOM 1195 C HIS B 6 10.486 2.003 8.628 1.00 0.00 C ATOM 1196 O HIS B 6 9.930 0.945 8.924 1.00 0.00 O ATOM 1197 CB HIS B 6 12.935 2.330 9.009 1.00 0.00 C ATOM 1198 CG HIS B 6 13.271 1.198 9.937 1.00 0.00 C ATOM 1199 ND1 HIS B 6 14.556 0.945 10.368 1.00 0.00 N ATOM 1200 CD2 HIS B 6 12.493 0.255 10.523 1.00 0.00 C ATOM 1201 CE1 HIS B 6 14.553 -0.096 11.173 1.00 0.00 C ATOM 1202 NE2 HIS B 6 13.315 -0.536 11.286 1.00 0.00 N ATOM 0 H HIS B 6 12.708 3.643 6.966 1.00 0.00 H new ATOM 0 HA HIS B 6 12.040 1.021 7.543 1.00 0.00 H new ATOM 0 HB2 HIS B 6 13.843 2.639 8.491 1.00 0.00 H new ATOM 0 HB3 HIS B 6 12.602 3.181 9.603 1.00 0.00 H new ATOM 0 HD2 HIS B 6 11.424 0.146 10.410 1.00 0.00 H new ATOM 0 HE1 HIS B 6 15.419 -0.519 11.660 1.00 0.00 H new ATOM 0 HE2 HIS B 6 13.017 -1.333 11.848 1.00 0.00 H new ATOM 1211 N GLU B 7 9.941 3.190 8.831 1.00 0.00 N ATOM 1212 CA GLU B 7 8.667 3.342 9.517 1.00 0.00 C ATOM 1213 C GLU B 7 7.523 2.858 8.634 1.00 0.00 C ATOM 1214 O GLU B 7 6.521 2.333 9.117 1.00 0.00 O ATOM 1215 CB GLU B 7 8.451 4.805 9.891 1.00 0.00 C ATOM 1216 CG GLU B 7 9.586 5.409 10.694 1.00 0.00 C ATOM 1217 CD GLU B 7 9.826 4.707 12.010 1.00 0.00 C ATOM 1218 OE1 GLU B 7 8.945 4.769 12.893 1.00 0.00 O ATOM 1219 OE2 GLU B 7 10.910 4.109 12.174 1.00 0.00 O ATOM 0 H GLU B 7 10.363 4.068 8.529 1.00 0.00 H new ATOM 0 HA GLU B 7 8.686 2.738 10.424 1.00 0.00 H new ATOM 0 HB2 GLU B 7 8.315 5.386 8.979 1.00 0.00 H new ATOM 0 HB3 GLU B 7 7.528 4.891 10.464 1.00 0.00 H new ATOM 0 HG2 GLU B 7 10.500 5.376 10.100 1.00 0.00 H new ATOM 0 HG3 GLU B 7 9.368 6.460 10.885 1.00 0.00 H new ATOM 1226 N LEU B 8 7.691 3.034 7.332 1.00 0.00 N ATOM 1227 CA LEU B 8 6.672 2.664 6.366 1.00 0.00 C ATOM 1228 C LEU B 8 6.542 1.148 6.283 1.00 0.00 C ATOM 1229 O LEU B 8 5.440 0.611 6.158 1.00 0.00 O ATOM 1230 CB LEU B 8 7.023 3.267 5.003 1.00 0.00 C ATOM 1231 CG LEU B 8 5.918 3.233 3.943 1.00 0.00 C ATOM 1232 CD1 LEU B 8 5.878 1.891 3.234 1.00 0.00 C ATOM 1233 CD2 LEU B 8 4.569 3.543 4.570 1.00 0.00 C ATOM 0 H LEU B 8 8.533 3.435 6.919 1.00 0.00 H new ATOM 0 HA LEU B 8 5.707 3.059 6.685 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.321 4.305 5.154 1.00 0.00 H new ATOM 0 HB3 LEU B 8 7.892 2.740 4.609 1.00 0.00 H new ATOM 0 HG LEU B 8 6.142 3.999 3.200 1.00 0.00 H new ATOM 0 HD11 LEU B 8 5.084 1.897 2.488 1.00 0.00 H new ATOM 0 HD12 LEU B 8 6.835 1.710 2.744 1.00 0.00 H new ATOM 0 HD13 LEU B 8 5.687 1.101 3.960 1.00 0.00 H new ATOM 0 HD21 LEU B 8 3.796 3.514 3.802 1.00 0.00 H new ATOM 0 HD22 LEU B 8 4.346 2.802 5.338 1.00 0.00 H new ATOM 0 HD23 LEU B 8 4.597 4.535 5.020 1.00 0.00 H new ATOM 1245 N LEU B 9 7.671 0.461 6.365 1.00 0.00 N ATOM 1246 CA LEU B 9 7.676 -0.995 6.344 1.00 0.00 C ATOM 1247 C LEU B 9 6.903 -1.553 7.527 1.00 0.00 C ATOM 1248 O LEU B 9 6.210 -2.560 7.405 1.00 0.00 O ATOM 1249 CB LEU B 9 9.105 -1.536 6.345 1.00 0.00 C ATOM 1250 CG LEU B 9 9.773 -1.644 4.971 1.00 0.00 C ATOM 1251 CD1 LEU B 9 9.105 -2.715 4.134 1.00 0.00 C ATOM 1252 CD2 LEU B 9 9.730 -0.321 4.239 1.00 0.00 C ATOM 0 H LEU B 9 8.594 0.887 6.447 1.00 0.00 H new ATOM 0 HA LEU B 9 7.186 -1.317 5.425 1.00 0.00 H new ATOM 0 HB2 LEU B 9 9.717 -0.893 6.977 1.00 0.00 H new ATOM 0 HB3 LEU B 9 9.100 -2.524 6.805 1.00 0.00 H new ATOM 0 HG LEU B 9 10.816 -1.918 5.132 1.00 0.00 H new ATOM 0 HD11 LEU B 9 9.595 -2.775 3.162 1.00 0.00 H new ATOM 0 HD12 LEU B 9 9.186 -3.676 4.641 1.00 0.00 H new ATOM 0 HD13 LEU B 9 8.053 -2.465 3.995 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.211 -0.427 3.267 1.00 0.00 H new ATOM 0 HD22 LEU B 9 8.693 -0.016 4.099 1.00 0.00 H new ATOM 0 HD23 LEU B 9 10.255 0.435 4.823 1.00 0.00 H new ATOM 1264 N GLU B 10 7.010 -0.887 8.667 1.00 0.00 N ATOM 1265 CA GLU B 10 6.263 -1.290 9.848 1.00 0.00 C ATOM 1266 C GLU B 10 4.775 -1.030 9.652 1.00 0.00 C ATOM 1267 O GLU B 10 3.932 -1.764 10.163 1.00 0.00 O ATOM 1268 CB GLU B 10 6.761 -0.544 11.083 1.00 0.00 C ATOM 1269 CG GLU B 10 8.220 -0.802 11.401 1.00 0.00 C ATOM 1270 CD GLU B 10 8.634 -0.203 12.726 1.00 0.00 C ATOM 1271 OE1 GLU B 10 8.768 -0.959 13.710 1.00 0.00 O ATOM 1272 OE2 GLU B 10 8.820 1.027 12.799 1.00 0.00 O ATOM 0 H GLU B 10 7.604 -0.069 8.799 1.00 0.00 H new ATOM 0 HA GLU B 10 6.419 -2.358 9.998 1.00 0.00 H new ATOM 0 HB2 GLU B 10 6.614 0.526 10.935 1.00 0.00 H new ATOM 0 HB3 GLU B 10 6.154 -0.833 11.941 1.00 0.00 H new ATOM 0 HG2 GLU B 10 8.401 -1.877 11.418 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.841 -0.387 10.607 1.00 0.00 H new ATOM 1279 N ARG B 11 4.466 0.015 8.892 1.00 0.00 N ATOM 1280 CA ARG B 11 3.088 0.394 8.616 1.00 0.00 C ATOM 1281 C ARG B 11 2.369 -0.699 7.845 1.00 0.00 C ATOM 1282 O ARG B 11 1.197 -0.974 8.085 1.00 0.00 O ATOM 1283 CB ARG B 11 3.051 1.692 7.809 1.00 0.00 C ATOM 1284 CG ARG B 11 2.254 2.796 8.468 1.00 0.00 C ATOM 1285 CD ARG B 11 0.779 2.448 8.559 1.00 0.00 C ATOM 1286 NE ARG B 11 0.068 3.360 9.452 1.00 0.00 N ATOM 1287 CZ ARG B 11 -1.054 3.052 10.096 1.00 0.00 C ATOM 1288 NH1 ARG B 11 -1.645 1.882 9.895 1.00 0.00 N ATOM 1289 NH2 ARG B 11 -1.593 3.925 10.939 1.00 0.00 N ATOM 0 H ARG B 11 5.161 0.619 8.453 1.00 0.00 H new ATOM 0 HA ARG B 11 2.582 0.542 9.570 1.00 0.00 H new ATOM 0 HB2 ARG B 11 4.072 2.039 7.649 1.00 0.00 H new ATOM 0 HB3 ARG B 11 2.626 1.486 6.826 1.00 0.00 H new ATOM 0 HG2 ARG B 11 2.646 2.981 9.468 1.00 0.00 H new ATOM 0 HG3 ARG B 11 2.376 3.720 7.902 1.00 0.00 H new ATOM 0 HD2 ARG B 11 0.333 2.488 7.565 1.00 0.00 H new ATOM 0 HD3 ARG B 11 0.667 1.425 8.918 1.00 0.00 H new ATOM 0 HE ARG B 11 0.457 4.293 9.590 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -1.239 1.211 9.243 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -2.505 1.653 10.393 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -1.146 4.829 11.091 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -2.454 3.691 11.434 1.00 0.00 H new ATOM 1303 N ILE B 12 3.078 -1.319 6.918 1.00 0.00 N ATOM 1304 CA ILE B 12 2.484 -2.328 6.058 1.00 0.00 C ATOM 1305 C ILE B 12 2.769 -3.740 6.558 1.00 0.00 C ATOM 1306 O ILE B 12 2.156 -4.707 6.104 1.00 0.00 O ATOM 1307 CB ILE B 12 2.971 -2.164 4.612 1.00 0.00 C ATOM 1308 CG1 ILE B 12 4.484 -2.363 4.504 1.00 0.00 C ATOM 1309 CG2 ILE B 12 2.590 -0.783 4.121 1.00 0.00 C ATOM 1310 CD1 ILE B 12 4.998 -2.272 3.084 1.00 0.00 C ATOM 0 H ILE B 12 4.067 -1.141 6.741 1.00 0.00 H new ATOM 0 HA ILE B 12 1.404 -2.181 6.084 1.00 0.00 H new ATOM 0 HB ILE B 12 2.497 -2.926 3.994 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.987 -1.613 5.114 1.00 0.00 H new ATOM 0 HG13 ILE B 12 4.746 -3.337 4.917 1.00 0.00 H new ATOM 0 HG21 ILE B 12 2.931 -0.655 3.094 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.507 -0.669 4.160 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.057 -0.030 4.755 1.00 0.00 H new ATOM 0 HD11 ILE B 12 6.078 -2.422 3.078 1.00 0.00 H new ATOM 0 HD12 ILE B 12 4.521 -3.040 2.475 1.00 0.00 H new ATOM 0 HD13 ILE B 12 4.766 -1.288 2.675 1.00 0.00 H new ATOM 1322 N GLY B 13 3.700 -3.850 7.492 1.00 0.00 N ATOM 1323 CA GLY B 13 3.987 -5.131 8.101 1.00 0.00 C ATOM 1324 C GLY B 13 5.048 -5.907 7.356 1.00 0.00 C ATOM 1325 O GLY B 13 5.019 -7.137 7.327 1.00 0.00 O ATOM 0 H GLY B 13 4.263 -3.074 7.840 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.312 -4.975 9.130 1.00 0.00 H new ATOM 0 HA3 GLY B 13 3.072 -5.722 8.142 1.00 0.00 H new ATOM 1329 N LEU B 14 5.983 -5.192 6.750 1.00 0.00 N ATOM 1330 CA LEU B 14 7.080 -5.822 6.032 1.00 0.00 C ATOM 1331 C LEU B 14 8.413 -5.367 6.586 1.00 0.00 C ATOM 1332 O LEU B 14 9.408 -5.298 5.863 1.00 0.00 O ATOM 1333 CB LEU B 14 7.022 -5.532 4.532 1.00 0.00 C ATOM 1334 CG LEU B 14 6.030 -6.378 3.735 1.00 0.00 C ATOM 1335 CD1 LEU B 14 6.111 -7.827 4.160 1.00 0.00 C ATOM 1336 CD2 LEU B 14 4.616 -5.866 3.882 1.00 0.00 C ATOM 0 H LEU B 14 6.004 -4.172 6.741 1.00 0.00 H new ATOM 0 HA LEU B 14 6.977 -6.898 6.174 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.770 -4.481 4.393 1.00 0.00 H new ATOM 0 HB3 LEU B 14 8.017 -5.679 4.113 1.00 0.00 H new ATOM 0 HG LEU B 14 6.303 -6.301 2.682 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.398 -8.416 3.583 1.00 0.00 H new ATOM 0 HD12 LEU B 14 7.119 -8.202 3.983 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.874 -7.909 5.221 1.00 0.00 H new ATOM 0 HD21 LEU B 14 3.940 -6.493 3.301 1.00 0.00 H new ATOM 0 HD22 LEU B 14 4.326 -5.895 4.932 1.00 0.00 H new ATOM 0 HD23 LEU B 14 4.561 -4.840 3.519 1.00 0.00 H new ATOM 1348 N GLU B 15 8.430 -5.083 7.879 1.00 0.00 N ATOM 1349 CA GLU B 15 9.651 -4.686 8.561 1.00 0.00 C ATOM 1350 C GLU B 15 10.699 -5.797 8.473 1.00 0.00 C ATOM 1351 O GLU B 15 11.888 -5.564 8.687 1.00 0.00 O ATOM 1352 CB GLU B 15 9.352 -4.340 10.016 1.00 0.00 C ATOM 1353 CG GLU B 15 8.757 -5.491 10.805 1.00 0.00 C ATOM 1354 CD GLU B 15 8.446 -5.120 12.234 1.00 0.00 C ATOM 1355 OE1 GLU B 15 9.393 -4.907 13.016 1.00 0.00 O ATOM 1356 OE2 GLU B 15 7.253 -5.042 12.587 1.00 0.00 O ATOM 0 H GLU B 15 7.607 -5.121 8.480 1.00 0.00 H new ATOM 0 HA GLU B 15 10.054 -3.800 8.071 1.00 0.00 H new ATOM 0 HB2 GLU B 15 10.273 -4.017 10.500 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.663 -3.496 10.046 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.844 -5.828 10.315 1.00 0.00 H new ATOM 0 HG3 GLU B 15 9.452 -6.330 10.795 1.00 0.00 H new ATOM 1363 N GLU B 16 10.236 -6.998 8.138 1.00 0.00 N ATOM 1364 CA GLU B 16 11.107 -8.141 7.895 1.00 0.00 C ATOM 1365 C GLU B 16 12.039 -7.881 6.713 1.00 0.00 C ATOM 1366 O GLU B 16 13.087 -8.510 6.583 1.00 0.00 O ATOM 1367 CB GLU B 16 10.262 -9.385 7.609 1.00 0.00 C ATOM 1368 CG GLU B 16 9.353 -9.228 6.398 1.00 0.00 C ATOM 1369 CD GLU B 16 8.549 -10.472 6.090 1.00 0.00 C ATOM 1370 OE1 GLU B 16 7.748 -10.892 6.944 1.00 0.00 O ATOM 1371 OE2 GLU B 16 8.696 -11.024 4.974 1.00 0.00 O ATOM 0 H GLU B 16 9.243 -7.205 8.027 1.00 0.00 H new ATOM 0 HA GLU B 16 11.713 -8.300 8.787 1.00 0.00 H new ATOM 0 HB2 GLU B 16 10.923 -10.237 7.451 1.00 0.00 H new ATOM 0 HB3 GLU B 16 9.654 -9.612 8.485 1.00 0.00 H new ATOM 0 HG2 GLU B 16 8.671 -8.396 6.570 1.00 0.00 H new ATOM 0 HG3 GLU B 16 9.958 -8.970 5.529 1.00 0.00 H new ATOM 1378 N HIS B 17 11.647 -6.958 5.848 1.00 0.00 N ATOM 1379 CA HIS B 17 12.420 -6.659 4.653 1.00 0.00 C ATOM 1380 C HIS B 17 12.914 -5.223 4.652 1.00 0.00 C ATOM 1381 O HIS B 17 13.394 -4.743 3.628 1.00 0.00 O ATOM 1382 CB HIS B 17 11.594 -6.914 3.391 1.00 0.00 C ATOM 1383 CG HIS B 17 11.414 -8.365 3.061 1.00 0.00 C ATOM 1384 ND1 HIS B 17 12.459 -9.198 2.719 1.00 0.00 N ATOM 1385 CD2 HIS B 17 10.298 -9.130 3.021 1.00 0.00 C ATOM 1386 CE1 HIS B 17 11.993 -10.412 2.485 1.00 0.00 C ATOM 1387 NE2 HIS B 17 10.685 -10.399 2.661 1.00 0.00 N ATOM 0 H HIS B 17 10.798 -6.403 5.952 1.00 0.00 H new ATOM 0 HA HIS B 17 13.284 -7.323 4.658 1.00 0.00 H new ATOM 0 HB2 HIS B 17 10.613 -6.456 3.513 1.00 0.00 H new ATOM 0 HB3 HIS B 17 12.075 -6.418 2.548 1.00 0.00 H new ATOM 0 HD2 HIS B 17 9.290 -8.804 3.233 1.00 0.00 H new ATOM 0 HE1 HIS B 17 12.583 -11.270 2.198 1.00 0.00 H new ATOM 0 HE2 HIS B 17 10.063 -11.200 2.548 1.00 0.00 H new ATOM 1396 N THR B 18 12.798 -4.537 5.784 1.00 0.00 N ATOM 1397 CA THR B 18 13.270 -3.162 5.878 1.00 0.00 C ATOM 1398 C THR B 18 14.734 -3.064 5.470 1.00 0.00 C ATOM 1399 O THR B 18 15.109 -2.207 4.670 1.00 0.00 O ATOM 1400 CB THR B 18 13.125 -2.595 7.298 1.00 0.00 C ATOM 1401 OG1 THR B 18 11.793 -2.786 7.780 1.00 0.00 O ATOM 1402 CG2 THR B 18 13.467 -1.117 7.309 1.00 0.00 C ATOM 0 H THR B 18 12.386 -4.906 6.641 1.00 0.00 H new ATOM 0 HA THR B 18 12.648 -2.578 5.200 1.00 0.00 H new ATOM 0 HB THR B 18 13.816 -3.127 7.952 1.00 0.00 H new ATOM 0 HG1 THR B 18 11.718 -2.421 8.686 1.00 0.00 H new ATOM 0 HG21 THR B 18 13.360 -0.726 8.321 1.00 0.00 H new ATOM 0 HG22 THR B 18 14.495 -0.979 6.973 1.00 0.00 H new ATOM 0 HG23 THR B 18 12.792 -0.582 6.641 1.00 0.00 H new ATOM 1410 N SER B 19 15.548 -3.961 6.012 1.00 0.00 N ATOM 1411 CA SER B 19 16.963 -3.995 5.700 1.00 0.00 C ATOM 1412 C SER B 19 17.179 -4.270 4.219 1.00 0.00 C ATOM 1413 O SER B 19 18.081 -3.712 3.606 1.00 0.00 O ATOM 1414 CB SER B 19 17.655 -5.058 6.545 1.00 0.00 C ATOM 1415 OG SER B 19 16.969 -6.297 6.468 1.00 0.00 O ATOM 0 H SER B 19 15.246 -4.677 6.673 1.00 0.00 H new ATOM 0 HA SER B 19 17.396 -3.022 5.932 1.00 0.00 H new ATOM 0 HB2 SER B 19 18.683 -5.186 6.204 1.00 0.00 H new ATOM 0 HB3 SER B 19 17.702 -4.728 7.583 1.00 0.00 H new ATOM 0 HG SER B 19 17.433 -6.963 7.017 1.00 0.00 H new ATOM 1421 N THR B 20 16.328 -5.113 3.650 1.00 0.00 N ATOM 1422 CA THR B 20 16.402 -5.439 2.239 1.00 0.00 C ATOM 1423 C THR B 20 16.301 -4.173 1.397 1.00 0.00 C ATOM 1424 O THR B 20 17.157 -3.901 0.558 1.00 0.00 O ATOM 1425 CB THR B 20 15.274 -6.403 1.834 1.00 0.00 C ATOM 1426 OG1 THR B 20 15.238 -7.528 2.724 1.00 0.00 O ATOM 1427 CG2 THR B 20 15.469 -6.880 0.406 1.00 0.00 C ATOM 0 H THR B 20 15.575 -5.584 4.151 1.00 0.00 H new ATOM 0 HA THR B 20 17.362 -5.923 2.062 1.00 0.00 H new ATOM 0 HB THR B 20 14.326 -5.869 1.899 1.00 0.00 H new ATOM 0 HG1 THR B 20 14.360 -7.960 2.670 1.00 0.00 H new ATOM 0 HG21 THR B 20 14.662 -7.561 0.136 1.00 0.00 H new ATOM 0 HG22 THR B 20 15.461 -6.023 -0.268 1.00 0.00 H new ATOM 0 HG23 THR B 20 16.424 -7.398 0.323 1.00 0.00 H new ATOM 1435 N LEU B 21 15.258 -3.395 1.643 1.00 0.00 N ATOM 1436 CA LEU B 21 15.075 -2.135 0.947 1.00 0.00 C ATOM 1437 C LEU B 21 16.217 -1.183 1.273 1.00 0.00 C ATOM 1438 O LEU B 21 16.884 -0.667 0.376 1.00 0.00 O ATOM 1439 CB LEU B 21 13.732 -1.491 1.329 1.00 0.00 C ATOM 1440 CG LEU B 21 12.482 -2.080 0.664 1.00 0.00 C ATOM 1441 CD1 LEU B 21 12.745 -2.402 -0.794 1.00 0.00 C ATOM 1442 CD2 LEU B 21 11.986 -3.308 1.402 1.00 0.00 C ATOM 0 H LEU B 21 14.527 -3.616 2.319 1.00 0.00 H new ATOM 0 HA LEU B 21 15.072 -2.335 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU B 21 13.612 -1.566 2.410 1.00 0.00 H new ATOM 0 HB3 LEU B 21 13.780 -0.429 1.086 1.00 0.00 H new ATOM 0 HG LEU B 21 11.698 -1.324 0.713 1.00 0.00 H new ATOM 0 HD11 LEU B 21 11.843 -2.818 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU B 21 13.026 -1.491 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU B 21 13.555 -3.128 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU B 21 11.099 -3.699 0.903 1.00 0.00 H new ATOM 0 HD22 LEU B 21 12.766 -4.070 1.406 1.00 0.00 H new ATOM 0 HD23 LEU B 21 11.736 -3.039 2.428 1.00 0.00 H new ATOM 1454 N LEU B 22 16.455 -1.002 2.565 1.00 0.00 N ATOM 1455 CA LEU B 22 17.446 -0.060 3.072 1.00 0.00 C ATOM 1456 C LEU B 22 18.824 -0.293 2.446 1.00 0.00 C ATOM 1457 O LEU B 22 19.474 0.648 1.988 1.00 0.00 O ATOM 1458 CB LEU B 22 17.532 -0.209 4.591 1.00 0.00 C ATOM 1459 CG LEU B 22 18.234 0.924 5.333 1.00 0.00 C ATOM 1460 CD1 LEU B 22 17.460 2.222 5.174 1.00 0.00 C ATOM 1461 CD2 LEU B 22 18.386 0.570 6.802 1.00 0.00 C ATOM 0 H LEU B 22 15.961 -1.510 3.299 1.00 0.00 H new ATOM 0 HA LEU B 22 17.134 0.950 2.805 1.00 0.00 H new ATOM 0 HB2 LEU B 22 16.520 -0.303 4.985 1.00 0.00 H new ATOM 0 HB3 LEU B 22 18.050 -1.141 4.816 1.00 0.00 H new ATOM 0 HG LEU B 22 19.226 1.063 4.904 1.00 0.00 H new ATOM 0 HD11 LEU B 22 17.974 3.020 5.709 1.00 0.00 H new ATOM 0 HD12 LEU B 22 17.393 2.479 4.117 1.00 0.00 H new ATOM 0 HD13 LEU B 22 16.457 2.100 5.582 1.00 0.00 H new ATOM 0 HD21 LEU B 22 18.888 1.385 7.323 1.00 0.00 H new ATOM 0 HD22 LEU B 22 17.401 0.411 7.242 1.00 0.00 H new ATOM 0 HD23 LEU B 22 18.978 -0.340 6.898 1.00 0.00 H new ATOM 1473 N LEU B 23 19.252 -1.548 2.416 1.00 0.00 N ATOM 1474 CA LEU B 23 20.570 -1.901 1.905 1.00 0.00 C ATOM 1475 C LEU B 23 20.641 -1.757 0.392 1.00 0.00 C ATOM 1476 O LEU B 23 21.698 -1.463 -0.164 1.00 0.00 O ATOM 1477 CB LEU B 23 20.923 -3.334 2.301 1.00 0.00 C ATOM 1478 CG LEU B 23 21.048 -3.583 3.804 1.00 0.00 C ATOM 1479 CD1 LEU B 23 21.379 -5.040 4.075 1.00 0.00 C ATOM 1480 CD2 LEU B 23 22.101 -2.674 4.415 1.00 0.00 C ATOM 0 H LEU B 23 18.702 -2.343 2.742 1.00 0.00 H new ATOM 0 HA LEU B 23 21.290 -1.211 2.346 1.00 0.00 H new ATOM 0 HB2 LEU B 23 20.161 -4.003 1.901 1.00 0.00 H new ATOM 0 HB3 LEU B 23 21.866 -3.604 1.825 1.00 0.00 H new ATOM 0 HG LEU B 23 20.089 -3.354 4.269 1.00 0.00 H new ATOM 0 HD11 LEU B 23 21.464 -5.200 5.150 1.00 0.00 H new ATOM 0 HD12 LEU B 23 20.587 -5.673 3.676 1.00 0.00 H new ATOM 0 HD13 LEU B 23 22.324 -5.294 3.594 1.00 0.00 H new ATOM 0 HD21 LEU B 23 22.173 -2.868 5.485 1.00 0.00 H new ATOM 0 HD22 LEU B 23 23.065 -2.867 3.945 1.00 0.00 H new ATOM 0 HD23 LEU B 23 21.821 -1.633 4.253 1.00 0.00 H new ATOM 1492 N ASN B 24 19.514 -1.952 -0.274 1.00 0.00 N ATOM 1493 CA ASN B 24 19.483 -1.901 -1.727 1.00 0.00 C ATOM 1494 C ASN B 24 19.211 -0.491 -2.230 1.00 0.00 C ATOM 1495 O ASN B 24 18.966 -0.278 -3.419 1.00 0.00 O ATOM 1496 CB ASN B 24 18.458 -2.884 -2.284 1.00 0.00 C ATOM 1497 CG ASN B 24 18.993 -4.303 -2.323 1.00 0.00 C ATOM 1498 OD1 ASN B 24 19.623 -4.716 -3.299 1.00 0.00 O ATOM 1499 ND2 ASN B 24 18.729 -5.064 -1.276 1.00 0.00 N ATOM 0 H ASN B 24 18.614 -2.146 0.165 1.00 0.00 H new ATOM 0 HA ASN B 24 20.469 -2.195 -2.088 1.00 0.00 H new ATOM 0 HB2 ASN B 24 17.557 -2.853 -1.672 1.00 0.00 H new ATOM 0 HB3 ASN B 24 18.171 -2.577 -3.290 1.00 0.00 H new ATOM 0 HD21 ASN B 24 19.050 -6.032 -1.255 1.00 0.00 H new ATOM 0 HD22 ASN B 24 18.204 -4.684 -0.488 1.00 0.00 H new ATOM 1506 N GLY B 25 19.248 0.468 -1.319 1.00 0.00 N ATOM 1507 CA GLY B 25 19.188 1.861 -1.709 1.00 0.00 C ATOM 1508 C GLY B 25 17.858 2.504 -1.403 1.00 0.00 C ATOM 1509 O GLY B 25 17.700 3.715 -1.548 1.00 0.00 O ATOM 0 H GLY B 25 19.319 0.307 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY B 25 19.977 2.410 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY B 25 19.387 1.942 -2.778 1.00 0.00 H new ATOM 1513 N TYR B 26 16.906 1.703 -0.969 1.00 0.00 N ATOM 1514 CA TYR B 26 15.589 2.202 -0.629 1.00 0.00 C ATOM 1515 C TYR B 26 15.572 2.655 0.815 1.00 0.00 C ATOM 1516 O TYR B 26 15.125 1.936 1.705 1.00 0.00 O ATOM 1517 CB TYR B 26 14.543 1.125 -0.874 1.00 0.00 C ATOM 1518 CG TYR B 26 14.455 0.715 -2.319 1.00 0.00 C ATOM 1519 CD1 TYR B 26 14.952 -0.508 -2.748 1.00 0.00 C ATOM 1520 CD2 TYR B 26 13.888 1.560 -3.256 1.00 0.00 C ATOM 1521 CE1 TYR B 26 14.883 -0.874 -4.076 1.00 0.00 C ATOM 1522 CE2 TYR B 26 13.812 1.202 -4.583 1.00 0.00 C ATOM 1523 CZ TYR B 26 14.310 -0.015 -4.990 1.00 0.00 C ATOM 1524 OH TYR B 26 14.242 -0.363 -6.316 1.00 0.00 O ATOM 0 H TYR B 26 17.021 0.697 -0.843 1.00 0.00 H new ATOM 0 HA TYR B 26 15.351 3.056 -1.262 1.00 0.00 H new ATOM 0 HB2 TYR B 26 14.779 0.251 -0.267 1.00 0.00 H new ATOM 0 HB3 TYR B 26 13.570 1.489 -0.544 1.00 0.00 H new ATOM 0 HD1 TYR B 26 15.399 -1.182 -2.032 1.00 0.00 H new ATOM 0 HD2 TYR B 26 13.498 2.517 -2.941 1.00 0.00 H new ATOM 0 HE1 TYR B 26 15.275 -1.827 -4.398 1.00 0.00 H new ATOM 0 HE2 TYR B 26 13.364 1.873 -5.301 1.00 0.00 H new ATOM 0 HH TYR B 26 14.843 -1.118 -6.487 1.00 0.00 H new ATOM 1534 N GLN B 27 16.079 3.852 1.037 1.00 0.00 N ATOM 1535 CA GLN B 27 16.253 4.366 2.379 1.00 0.00 C ATOM 1536 C GLN B 27 15.188 5.390 2.711 1.00 0.00 C ATOM 1537 O GLN B 27 14.890 5.638 3.881 1.00 0.00 O ATOM 1538 CB GLN B 27 17.640 4.982 2.516 1.00 0.00 C ATOM 1539 CG GLN B 27 18.743 4.043 2.068 1.00 0.00 C ATOM 1540 CD GLN B 27 20.132 4.573 2.354 1.00 0.00 C ATOM 1541 OE1 GLN B 27 20.365 5.783 2.364 1.00 0.00 O ATOM 1542 NE2 GLN B 27 21.064 3.666 2.587 1.00 0.00 N ATOM 0 H GLN B 27 16.379 4.489 0.299 1.00 0.00 H new ATOM 0 HA GLN B 27 16.154 3.540 3.083 1.00 0.00 H new ATOM 0 HB2 GLN B 27 17.686 5.898 1.927 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.807 5.263 3.556 1.00 0.00 H new ATOM 0 HG2 GLN B 27 18.618 3.082 2.567 1.00 0.00 H new ATOM 0 HG3 GLN B 27 18.644 3.861 0.998 1.00 0.00 H new ATOM 0 HE21 GLN B 27 20.826 2.674 2.569 1.00 0.00 H new ATOM 0 HE22 GLN B 27 22.021 3.958 2.785 1.00 0.00 H new ATOM 1551 N THR B 28 14.612 5.982 1.683 1.00 0.00 N ATOM 1552 CA THR B 28 13.560 6.953 1.876 1.00 0.00 C ATOM 1553 C THR B 28 12.302 6.522 1.145 1.00 0.00 C ATOM 1554 O THR B 28 12.333 5.601 0.325 1.00 0.00 O ATOM 1555 CB THR B 28 13.979 8.356 1.393 1.00 0.00 C ATOM 1556 OG1 THR B 28 14.164 8.360 -0.027 1.00 0.00 O ATOM 1557 CG2 THR B 28 15.265 8.797 2.074 1.00 0.00 C ATOM 0 H THR B 28 14.856 5.806 0.708 1.00 0.00 H new ATOM 0 HA THR B 28 13.363 7.006 2.947 1.00 0.00 H new ATOM 0 HB THR B 28 13.184 9.054 1.654 1.00 0.00 H new ATOM 0 HG1 THR B 28 14.988 7.880 -0.251 1.00 0.00 H new ATOM 0 HG21 THR B 28 15.543 9.789 1.719 1.00 0.00 H new ATOM 0 HG22 THR B 28 15.114 8.827 3.153 1.00 0.00 H new ATOM 0 HG23 THR B 28 16.062 8.091 1.839 1.00 0.00 H new ATOM 1565 N LEU B 29 11.202 7.186 1.440 1.00 0.00 N ATOM 1566 CA LEU B 29 9.948 6.930 0.755 1.00 0.00 C ATOM 1567 C LEU B 29 10.074 7.324 -0.710 1.00 0.00 C ATOM 1568 O LEU B 29 9.428 6.750 -1.588 1.00 0.00 O ATOM 1569 CB LEU B 29 8.829 7.718 1.431 1.00 0.00 C ATOM 1570 CG LEU B 29 8.683 7.450 2.931 1.00 0.00 C ATOM 1571 CD1 LEU B 29 7.610 8.339 3.534 1.00 0.00 C ATOM 1572 CD2 LEU B 29 8.369 5.985 3.179 1.00 0.00 C ATOM 0 H LEU B 29 11.150 7.912 2.155 1.00 0.00 H new ATOM 0 HA LEU B 29 9.710 5.868 0.808 1.00 0.00 H new ATOM 0 HB2 LEU B 29 9.009 8.782 1.280 1.00 0.00 H new ATOM 0 HB3 LEU B 29 7.886 7.481 0.939 1.00 0.00 H new ATOM 0 HG LEU B 29 9.630 7.686 3.417 1.00 0.00 H new ATOM 0 HD11 LEU B 29 7.523 8.132 4.601 1.00 0.00 H new ATOM 0 HD12 LEU B 29 7.880 9.385 3.388 1.00 0.00 H new ATOM 0 HD13 LEU B 29 6.656 8.139 3.047 1.00 0.00 H new ATOM 0 HD21 LEU B 29 8.268 5.811 4.250 1.00 0.00 H new ATOM 0 HD22 LEU B 29 7.436 5.723 2.679 1.00 0.00 H new ATOM 0 HD23 LEU B 29 9.177 5.368 2.785 1.00 0.00 H new ATOM 1584 N GLU B 30 10.942 8.296 -0.957 1.00 0.00 N ATOM 1585 CA GLU B 30 11.229 8.768 -2.302 1.00 0.00 C ATOM 1586 C GLU B 30 11.994 7.715 -3.096 1.00 0.00 C ATOM 1587 O GLU B 30 11.927 7.682 -4.323 1.00 0.00 O ATOM 1588 CB GLU B 30 12.023 10.069 -2.233 1.00 0.00 C ATOM 1589 CG GLU B 30 11.235 11.214 -1.622 1.00 0.00 C ATOM 1590 CD GLU B 30 12.112 12.383 -1.231 1.00 0.00 C ATOM 1591 OE1 GLU B 30 12.603 12.400 -0.084 1.00 0.00 O ATOM 1592 OE2 GLU B 30 12.320 13.286 -2.066 1.00 0.00 O ATOM 0 H GLU B 30 11.467 8.779 -0.228 1.00 0.00 H new ATOM 0 HA GLU B 30 10.286 8.954 -2.816 1.00 0.00 H new ATOM 0 HB2 GLU B 30 12.928 9.905 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU B 30 12.339 10.349 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU B 30 10.482 11.552 -2.334 1.00 0.00 H new ATOM 0 HG3 GLU B 30 10.702 10.854 -0.742 1.00 0.00 H new ATOM 1599 N ASP B 31 12.726 6.859 -2.394 1.00 0.00 N ATOM 1600 CA ASP B 31 13.395 5.736 -3.036 1.00 0.00 C ATOM 1601 C ASP B 31 12.403 4.610 -3.252 1.00 0.00 C ATOM 1602 O ASP B 31 12.294 4.054 -4.343 1.00 0.00 O ATOM 1603 CB ASP B 31 14.556 5.201 -2.188 1.00 0.00 C ATOM 1604 CG ASP B 31 15.674 6.195 -1.978 1.00 0.00 C ATOM 1605 OD1 ASP B 31 15.868 6.633 -0.825 1.00 0.00 O ATOM 1606 OD2 ASP B 31 16.374 6.532 -2.954 1.00 0.00 O ATOM 0 H ASP B 31 12.871 6.920 -1.386 1.00 0.00 H new ATOM 0 HA ASP B 31 13.793 6.093 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP B 31 14.170 4.893 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP B 31 14.961 4.310 -2.667 1.00 0.00 H new ATOM 1611 N PHE B 32 11.661 4.301 -2.197 1.00 0.00 N ATOM 1612 CA PHE B 32 10.759 3.159 -2.183 1.00 0.00 C ATOM 1613 C PHE B 32 9.649 3.294 -3.221 1.00 0.00 C ATOM 1614 O PHE B 32 9.134 2.298 -3.710 1.00 0.00 O ATOM 1615 CB PHE B 32 10.159 2.987 -0.790 1.00 0.00 C ATOM 1616 CG PHE B 32 9.379 1.712 -0.614 1.00 0.00 C ATOM 1617 CD1 PHE B 32 8.034 1.664 -0.923 1.00 0.00 C ATOM 1618 CD2 PHE B 32 9.990 0.564 -0.132 1.00 0.00 C ATOM 1619 CE1 PHE B 32 7.312 0.505 -0.758 1.00 0.00 C ATOM 1620 CE2 PHE B 32 9.269 -0.603 0.035 1.00 0.00 C ATOM 1621 CZ PHE B 32 7.928 -0.630 -0.279 1.00 0.00 C ATOM 0 H PHE B 32 11.668 4.835 -1.328 1.00 0.00 H new ATOM 0 HA PHE B 32 11.341 2.275 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE B 32 10.962 3.014 -0.054 1.00 0.00 H new ATOM 0 HB3 PHE B 32 9.505 3.833 -0.580 1.00 0.00 H new ATOM 0 HD1 PHE B 32 7.542 2.549 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE B 32 11.041 0.582 0.116 1.00 0.00 H new ATOM 0 HE1 PHE B 32 6.261 0.485 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE B 32 9.755 -1.491 0.411 1.00 0.00 H new ATOM 0 HZ PHE B 32 7.361 -1.540 -0.150 1.00 0.00 H new ATOM 1631 N LYS B 33 9.283 4.517 -3.570 1.00 0.00 N ATOM 1632 CA LYS B 33 8.246 4.725 -4.574 1.00 0.00 C ATOM 1633 C LYS B 33 8.706 4.254 -5.957 1.00 0.00 C ATOM 1634 O LYS B 33 7.915 4.194 -6.899 1.00 0.00 O ATOM 1635 CB LYS B 33 7.820 6.191 -4.627 1.00 0.00 C ATOM 1636 CG LYS B 33 8.969 7.164 -4.818 1.00 0.00 C ATOM 1637 CD LYS B 33 8.476 8.562 -5.171 1.00 0.00 C ATOM 1638 CE LYS B 33 7.578 9.152 -4.091 1.00 0.00 C ATOM 1639 NZ LYS B 33 6.864 10.369 -4.572 1.00 0.00 N ATOM 0 H LYS B 33 9.681 5.372 -3.181 1.00 0.00 H new ATOM 0 HA LYS B 33 7.384 4.125 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS B 33 7.108 6.322 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS B 33 7.297 6.440 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS B 33 9.563 7.208 -3.905 1.00 0.00 H new ATOM 0 HG3 LYS B 33 9.626 6.800 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS B 33 9.333 9.218 -5.325 1.00 0.00 H new ATOM 0 HD3 LYS B 33 7.929 8.524 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS B 33 6.851 8.405 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS B 33 8.178 9.404 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 5.942 10.442 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 7.433 11.213 -4.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 6.718 10.303 -5.600 1.00 0.00 H new ATOM 1653 N GLU B 34 9.986 3.922 -6.071 1.00 0.00 N ATOM 1654 CA GLU B 34 10.527 3.380 -7.308 1.00 0.00 C ATOM 1655 C GLU B 34 10.781 1.886 -7.163 1.00 0.00 C ATOM 1656 O GLU B 34 11.331 1.239 -8.054 1.00 0.00 O ATOM 1657 CB GLU B 34 11.818 4.095 -7.686 1.00 0.00 C ATOM 1658 CG GLU B 34 11.671 5.603 -7.767 1.00 0.00 C ATOM 1659 CD GLU B 34 12.843 6.260 -8.461 1.00 0.00 C ATOM 1660 OE1 GLU B 34 12.690 6.669 -9.632 1.00 0.00 O ATOM 1661 OE2 GLU B 34 13.924 6.362 -7.848 1.00 0.00 O ATOM 0 H GLU B 34 10.669 4.019 -5.319 1.00 0.00 H new ATOM 0 HA GLU B 34 9.796 3.539 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU B 34 12.587 3.851 -6.953 1.00 0.00 H new ATOM 0 HB3 GLU B 34 12.164 3.719 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU B 34 10.753 5.848 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU B 34 11.573 6.010 -6.761 1.00 0.00 H new ATOM 1668 N LEU B 35 10.377 1.350 -6.027 1.00 0.00 N ATOM 1669 CA LEU B 35 10.498 -0.069 -5.753 1.00 0.00 C ATOM 1670 C LEU B 35 9.434 -0.818 -6.544 1.00 0.00 C ATOM 1671 O LEU B 35 8.239 -0.620 -6.344 1.00 0.00 O ATOM 1672 CB LEU B 35 10.367 -0.283 -4.234 1.00 0.00 C ATOM 1673 CG LEU B 35 10.432 -1.715 -3.700 1.00 0.00 C ATOM 1674 CD1 LEU B 35 9.063 -2.372 -3.747 1.00 0.00 C ATOM 1675 CD2 LEU B 35 11.457 -2.534 -4.467 1.00 0.00 C ATOM 0 H LEU B 35 9.956 1.886 -5.268 1.00 0.00 H new ATOM 0 HA LEU B 35 11.468 -0.458 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU B 35 11.156 0.291 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU B 35 9.417 0.148 -3.917 1.00 0.00 H new ATOM 0 HG LEU B 35 10.749 -1.674 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.134 -3.389 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.364 -1.801 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU B 35 8.707 -2.398 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.484 -3.548 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.182 -2.566 -5.521 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.441 -2.076 -4.362 1.00 0.00 H new ATOM 1687 N ARG B 36 9.876 -1.658 -7.469 1.00 0.00 N ATOM 1688 CA ARG B 36 8.958 -2.348 -8.362 1.00 0.00 C ATOM 1689 C ARG B 36 9.076 -3.854 -8.207 1.00 0.00 C ATOM 1690 O ARG B 36 10.043 -4.335 -7.623 1.00 0.00 O ATOM 1691 CB ARG B 36 9.217 -1.951 -9.814 1.00 0.00 C ATOM 1692 CG ARG B 36 9.203 -0.449 -10.057 1.00 0.00 C ATOM 1693 CD ARG B 36 7.947 0.203 -9.497 1.00 0.00 C ATOM 1694 NE ARG B 36 6.725 -0.339 -10.085 1.00 0.00 N ATOM 1695 CZ ARG B 36 5.500 -0.030 -9.662 1.00 0.00 C ATOM 1696 NH1 ARG B 36 5.339 0.816 -8.652 1.00 0.00 N ATOM 1697 NH2 ARG B 36 4.439 -0.569 -10.249 1.00 0.00 N ATOM 0 H ARG B 36 10.861 -1.877 -7.620 1.00 0.00 H new ATOM 0 HA ARG B 36 7.945 -2.051 -8.091 1.00 0.00 H new ATOM 0 HB2 ARG B 36 10.184 -2.349 -10.122 1.00 0.00 H new ATOM 0 HB3 ARG B 36 8.463 -2.418 -10.448 1.00 0.00 H new ATOM 0 HG2 ARG B 36 10.082 0.002 -9.597 1.00 0.00 H new ATOM 0 HG3 ARG B 36 9.268 -0.253 -11.127 1.00 0.00 H new ATOM 0 HD2 ARG B 36 7.920 0.062 -8.416 1.00 0.00 H new ATOM 0 HD3 ARG B 36 7.988 1.277 -9.678 1.00 0.00 H new ATOM 0 HE ARG B 36 6.814 -0.991 -10.864 1.00 0.00 H new ATOM 0 HH11 ARG B 36 6.154 1.230 -8.199 1.00 0.00 H new ATOM 0 HH12 ARG B 36 4.401 1.052 -8.329 1.00 0.00 H new ATOM 0 HH21 ARG B 36 4.561 -1.220 -11.024 1.00 0.00 H new ATOM 0 HH22 ARG B 36 3.501 -0.332 -9.925 1.00 0.00 H new ATOM 1711 N GLU B 37 8.118 -4.592 -8.742 1.00 0.00 N ATOM 1712 CA GLU B 37 8.050 -6.033 -8.528 1.00 0.00 C ATOM 1713 C GLU B 37 9.292 -6.727 -9.070 1.00 0.00 C ATOM 1714 O GLU B 37 9.850 -7.625 -8.427 1.00 0.00 O ATOM 1715 CB GLU B 37 6.788 -6.594 -9.172 1.00 0.00 C ATOM 1716 CG GLU B 37 6.531 -8.046 -8.832 1.00 0.00 C ATOM 1717 CD GLU B 37 5.177 -8.515 -9.313 1.00 0.00 C ATOM 1718 OE1 GLU B 37 5.099 -9.091 -10.418 1.00 0.00 O ATOM 1719 OE2 GLU B 37 4.184 -8.307 -8.586 1.00 0.00 O ATOM 0 H GLU B 37 7.373 -4.218 -9.330 1.00 0.00 H new ATOM 0 HA GLU B 37 8.010 -6.223 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU B 37 5.932 -5.998 -8.855 1.00 0.00 H new ATOM 0 HB3 GLU B 37 6.865 -6.491 -10.254 1.00 0.00 H new ATOM 0 HG2 GLU B 37 7.308 -8.665 -9.280 1.00 0.00 H new ATOM 0 HG3 GLU B 37 6.598 -8.182 -7.753 1.00 0.00 H new ATOM 1726 N THR B 38 9.742 -6.278 -10.231 1.00 0.00 N ATOM 1727 CA THR B 38 10.952 -6.799 -10.842 1.00 0.00 C ATOM 1728 C THR B 38 12.151 -6.589 -9.917 1.00 0.00 C ATOM 1729 O THR B 38 13.116 -7.355 -9.937 1.00 0.00 O ATOM 1730 CB THR B 38 11.211 -6.106 -12.194 1.00 0.00 C ATOM 1731 OG1 THR B 38 10.059 -6.246 -13.036 1.00 0.00 O ATOM 1732 CG2 THR B 38 12.426 -6.692 -12.892 1.00 0.00 C ATOM 0 H THR B 38 9.281 -5.547 -10.773 1.00 0.00 H new ATOM 0 HA THR B 38 10.817 -7.868 -11.010 1.00 0.00 H new ATOM 0 HB THR B 38 11.405 -5.051 -12.002 1.00 0.00 H new ATOM 0 HG1 THR B 38 10.225 -5.803 -13.894 1.00 0.00 H new ATOM 0 HG21 THR B 38 12.581 -6.181 -13.842 1.00 0.00 H new ATOM 0 HG22 THR B 38 13.306 -6.561 -12.262 1.00 0.00 H new ATOM 0 HG23 THR B 38 12.264 -7.755 -13.073 1.00 0.00 H new ATOM 1740 N HIS B 39 12.057 -5.569 -9.074 1.00 0.00 N ATOM 1741 CA HIS B 39 13.132 -5.235 -8.154 1.00 0.00 C ATOM 1742 C HIS B 39 13.123 -6.203 -6.983 1.00 0.00 C ATOM 1743 O HIS B 39 14.169 -6.579 -6.479 1.00 0.00 O ATOM 1744 CB HIS B 39 13.002 -3.794 -7.650 1.00 0.00 C ATOM 1745 CG HIS B 39 13.051 -2.757 -8.734 1.00 0.00 C ATOM 1746 ND1 HIS B 39 13.141 -1.409 -8.478 1.00 0.00 N ATOM 1747 CD2 HIS B 39 12.980 -2.875 -10.080 1.00 0.00 C ATOM 1748 CE1 HIS B 39 13.114 -0.743 -9.616 1.00 0.00 C ATOM 1749 NE2 HIS B 39 13.020 -1.609 -10.605 1.00 0.00 N ATOM 0 H HIS B 39 11.243 -4.957 -9.010 1.00 0.00 H new ATOM 0 HA HIS B 39 14.079 -5.319 -8.687 1.00 0.00 H new ATOM 0 HB2 HIS B 39 12.061 -3.694 -7.109 1.00 0.00 H new ATOM 0 HB3 HIS B 39 13.803 -3.597 -6.937 1.00 0.00 H new ATOM 0 HD1 HIS B 39 13.217 -0.989 -7.552 1.00 0.00 H new ATOM 0 HD2 HIS B 39 12.906 -3.797 -10.638 1.00 0.00 H new ATOM 0 HE1 HIS B 39 13.161 0.331 -9.720 1.00 0.00 H new ATOM 1758 N LEU B 40 11.930 -6.625 -6.569 1.00 0.00 N ATOM 1759 CA LEU B 40 11.796 -7.604 -5.491 1.00 0.00 C ATOM 1760 C LEU B 40 12.416 -8.928 -5.890 1.00 0.00 C ATOM 1761 O LEU B 40 12.924 -9.664 -5.048 1.00 0.00 O ATOM 1762 CB LEU B 40 10.333 -7.825 -5.111 1.00 0.00 C ATOM 1763 CG LEU B 40 9.740 -6.783 -4.172 1.00 0.00 C ATOM 1764 CD1 LEU B 40 9.494 -5.487 -4.901 1.00 0.00 C ATOM 1765 CD2 LEU B 40 8.459 -7.291 -3.550 1.00 0.00 C ATOM 0 H LEU B 40 11.044 -6.306 -6.962 1.00 0.00 H new ATOM 0 HA LEU B 40 12.322 -7.202 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.737 -7.849 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU B 40 10.240 -8.806 -4.644 1.00 0.00 H new ATOM 0 HG LEU B 40 10.459 -6.597 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.070 -4.757 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU B 40 10.436 -5.108 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU B 40 8.798 -5.658 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU B 40 8.052 -6.531 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU B 40 7.735 -7.510 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.665 -8.199 -2.983 1.00 0.00 H new ATOM 1777 N ASN B 41 12.361 -9.226 -7.179 1.00 0.00 N ATOM 1778 CA ASN B 41 13.015 -10.411 -7.715 1.00 0.00 C ATOM 1779 C ASN B 41 14.517 -10.320 -7.486 1.00 0.00 C ATOM 1780 O ASN B 41 15.187 -11.323 -7.231 1.00 0.00 O ATOM 1781 CB ASN B 41 12.717 -10.567 -9.208 1.00 0.00 C ATOM 1782 CG ASN B 41 11.265 -10.907 -9.481 1.00 0.00 C ATOM 1783 OD1 ASN B 41 10.592 -11.516 -8.653 1.00 0.00 O ATOM 1784 ND2 ASN B 41 10.777 -10.533 -10.653 1.00 0.00 N ATOM 0 H ASN B 41 11.870 -8.664 -7.874 1.00 0.00 H new ATOM 0 HA ASN B 41 12.626 -11.287 -7.196 1.00 0.00 H new ATOM 0 HB2 ASN B 41 12.973 -9.642 -9.724 1.00 0.00 H new ATOM 0 HB3 ASN B 41 13.353 -11.349 -9.622 1.00 0.00 H new ATOM 0 HD21 ASN B 41 9.810 -10.749 -10.895 1.00 0.00 H new ATOM 0 HD22 ASN B 41 11.368 -10.029 -11.314 1.00 0.00 H new ATOM 1791 N GLU B 42 15.026 -9.100 -7.549 1.00 0.00 N ATOM 1792 CA GLU B 42 16.431 -8.828 -7.301 1.00 0.00 C ATOM 1793 C GLU B 42 16.713 -8.834 -5.804 1.00 0.00 C ATOM 1794 O GLU B 42 17.758 -9.301 -5.354 1.00 0.00 O ATOM 1795 CB GLU B 42 16.798 -7.472 -7.896 1.00 0.00 C ATOM 1796 CG GLU B 42 16.567 -7.389 -9.391 1.00 0.00 C ATOM 1797 CD GLU B 42 17.390 -8.399 -10.161 1.00 0.00 C ATOM 1798 OE1 GLU B 42 16.914 -9.539 -10.350 1.00 0.00 O ATOM 1799 OE2 GLU B 42 18.517 -8.060 -10.573 1.00 0.00 O ATOM 0 H GLU B 42 14.476 -8.271 -7.774 1.00 0.00 H new ATOM 0 HA GLU B 42 17.034 -9.605 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU B 42 16.213 -6.696 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU B 42 17.847 -7.263 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU B 42 15.510 -7.550 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU B 42 16.812 -6.385 -9.738 1.00 0.00 H new ATOM 1806 N LEU B 43 15.756 -8.323 -5.041 1.00 0.00 N ATOM 1807 CA LEU B 43 15.873 -8.223 -3.591 1.00 0.00 C ATOM 1808 C LEU B 43 15.655 -9.579 -2.924 1.00 0.00 C ATOM 1809 O LEU B 43 15.832 -9.725 -1.714 1.00 0.00 O ATOM 1810 CB LEU B 43 14.840 -7.232 -3.062 1.00 0.00 C ATOM 1811 CG LEU B 43 14.834 -5.869 -3.748 1.00 0.00 C ATOM 1812 CD1 LEU B 43 13.712 -5.007 -3.211 1.00 0.00 C ATOM 1813 CD2 LEU B 43 16.164 -5.172 -3.570 1.00 0.00 C ATOM 0 H LEU B 43 14.875 -7.965 -5.410 1.00 0.00 H new ATOM 0 HA LEU B 43 16.880 -7.879 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU B 43 13.850 -7.676 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU B 43 15.015 -7.084 -1.996 1.00 0.00 H new ATOM 0 HG LEU B 43 14.670 -6.028 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU B 43 13.725 -4.039 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU B 43 12.756 -5.498 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU B 43 13.846 -4.862 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU B 43 16.136 -4.202 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU B 43 16.361 -5.029 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU B 43 16.955 -5.781 -4.007 1.00 0.00 H new ATOM 1825 N ASN B 44 15.237 -10.549 -3.735 1.00 0.00 N ATOM 1826 CA ASN B 44 14.989 -11.918 -3.285 1.00 0.00 C ATOM 1827 C ASN B 44 13.770 -11.963 -2.366 1.00 0.00 C ATOM 1828 O ASN B 44 13.618 -12.857 -1.537 1.00 0.00 O ATOM 1829 CB ASN B 44 16.228 -12.498 -2.594 1.00 0.00 C ATOM 1830 CG ASN B 44 16.215 -14.018 -2.523 1.00 0.00 C ATOM 1831 OD1 ASN B 44 16.641 -14.696 -3.459 1.00 0.00 O ATOM 1832 ND2 ASN B 44 15.738 -14.565 -1.418 1.00 0.00 N ATOM 0 H ASN B 44 15.060 -10.407 -4.729 1.00 0.00 H new ATOM 0 HA ASN B 44 14.778 -12.537 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN B 44 17.120 -12.173 -3.129 1.00 0.00 H new ATOM 0 HB3 ASN B 44 16.296 -12.094 -1.584 1.00 0.00 H new ATOM 0 HD21 ASN B 44 15.715 -15.580 -1.320 1.00 0.00 H new ATOM 0 HD22 ASN B 44 15.394 -13.972 -0.663 1.00 0.00 H new ATOM 1839 N ILE B 45 12.893 -10.988 -2.529 1.00 0.00 N ATOM 1840 CA ILE B 45 11.652 -10.950 -1.778 1.00 0.00 C ATOM 1841 C ILE B 45 10.610 -11.794 -2.490 1.00 0.00 C ATOM 1842 O ILE B 45 9.802 -11.291 -3.265 1.00 0.00 O ATOM 1843 CB ILE B 45 11.133 -9.513 -1.582 1.00 0.00 C ATOM 1844 CG1 ILE B 45 12.205 -8.672 -0.887 1.00 0.00 C ATOM 1845 CG2 ILE B 45 9.842 -9.522 -0.768 1.00 0.00 C ATOM 1846 CD1 ILE B 45 11.847 -7.210 -0.753 1.00 0.00 C ATOM 0 H ILE B 45 13.019 -10.210 -3.177 1.00 0.00 H new ATOM 0 HA ILE B 45 11.846 -11.355 -0.785 1.00 0.00 H new ATOM 0 HB ILE B 45 10.916 -9.073 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE B 45 12.388 -9.083 0.106 1.00 0.00 H new ATOM 0 HG13 ILE B 45 13.138 -8.758 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE B 45 9.487 -8.500 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE B 45 9.085 -10.105 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE B 45 10.031 -9.968 0.209 1.00 0.00 H new ATOM 0 HD11 ILE B 45 12.657 -6.682 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE B 45 11.693 -6.781 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE B 45 10.932 -7.112 -0.169 1.00 0.00 H new ATOM 1858 N MET B 46 10.676 -13.090 -2.256 1.00 0.00 N ATOM 1859 CA MET B 46 9.821 -14.043 -2.944 1.00 0.00 C ATOM 1860 C MET B 46 8.566 -14.336 -2.138 1.00 0.00 C ATOM 1861 O MET B 46 7.815 -15.254 -2.457 1.00 0.00 O ATOM 1862 CB MET B 46 10.589 -15.335 -3.211 1.00 0.00 C ATOM 1863 CG MET B 46 11.814 -15.160 -4.098 1.00 0.00 C ATOM 1864 SD MET B 46 11.409 -14.740 -5.809 1.00 0.00 S ATOM 1865 CE MET B 46 11.385 -12.951 -5.745 1.00 0.00 C ATOM 0 H MET B 46 11.320 -13.513 -1.587 1.00 0.00 H new ATOM 0 HA MET B 46 9.516 -13.604 -3.894 1.00 0.00 H new ATOM 0 HB2 MET B 46 10.902 -15.762 -2.258 1.00 0.00 H new ATOM 0 HB3 MET B 46 9.916 -16.055 -3.677 1.00 0.00 H new ATOM 0 HG2 MET B 46 12.447 -14.377 -3.680 1.00 0.00 H new ATOM 0 HG3 MET B 46 12.396 -16.081 -4.086 1.00 0.00 H new ATOM 0 HE1 MET B 46 11.764 -12.548 -6.684 1.00 0.00 H new ATOM 0 HE2 MET B 46 10.363 -12.606 -5.588 1.00 0.00 H new ATOM 0 HE3 MET B 46 12.014 -12.608 -4.923 1.00 0.00 H new ATOM 1875 N ASP B 47 8.343 -13.543 -1.100 1.00 0.00 N ATOM 1876 CA ASP B 47 7.143 -13.657 -0.282 1.00 0.00 C ATOM 1877 C ASP B 47 5.956 -13.042 -1.017 1.00 0.00 C ATOM 1878 O ASP B 47 5.814 -11.827 -1.032 1.00 0.00 O ATOM 1879 CB ASP B 47 7.340 -12.933 1.051 1.00 0.00 C ATOM 1880 CG ASP B 47 8.372 -13.573 1.954 1.00 0.00 C ATOM 1881 OD1 ASP B 47 9.459 -12.978 2.135 1.00 0.00 O ATOM 1882 OD2 ASP B 47 8.098 -14.660 2.502 1.00 0.00 O ATOM 0 H ASP B 47 8.983 -12.807 -0.802 1.00 0.00 H new ATOM 0 HA ASP B 47 6.950 -14.713 -0.092 1.00 0.00 H new ATOM 0 HB2 ASP B 47 7.635 -11.903 0.853 1.00 0.00 H new ATOM 0 HB3 ASP B 47 6.386 -12.896 1.577 1.00 0.00 H new ATOM 1887 N PRO B 48 5.090 -13.869 -1.622 1.00 0.00 N ATOM 1888 CA PRO B 48 4.086 -13.413 -2.602 1.00 0.00 C ATOM 1889 C PRO B 48 3.213 -12.259 -2.116 1.00 0.00 C ATOM 1890 O PRO B 48 3.151 -11.209 -2.759 1.00 0.00 O ATOM 1891 CB PRO B 48 3.230 -14.651 -2.845 1.00 0.00 C ATOM 1892 CG PRO B 48 4.109 -15.796 -2.496 1.00 0.00 C ATOM 1893 CD PRO B 48 4.997 -15.318 -1.385 1.00 0.00 C ATOM 0 HA PRO B 48 4.576 -13.018 -3.492 1.00 0.00 H new ATOM 0 HB2 PRO B 48 2.333 -14.639 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO B 48 2.901 -14.707 -3.883 1.00 0.00 H new ATOM 0 HG2 PRO B 48 3.520 -16.657 -2.180 1.00 0.00 H new ATOM 0 HG3 PRO B 48 4.698 -16.111 -3.357 1.00 0.00 H new ATOM 0 HD2 PRO B 48 4.570 -15.538 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO B 48 5.977 -15.795 -1.420 1.00 0.00 H new ATOM 1901 N GLN B 49 2.546 -12.452 -0.985 1.00 0.00 N ATOM 1902 CA GLN B 49 1.662 -11.429 -0.439 1.00 0.00 C ATOM 1903 C GLN B 49 2.472 -10.247 0.057 1.00 0.00 C ATOM 1904 O GLN B 49 2.047 -9.101 -0.035 1.00 0.00 O ATOM 1905 CB GLN B 49 0.811 -12.005 0.691 1.00 0.00 C ATOM 1906 CG GLN B 49 -0.305 -12.912 0.202 1.00 0.00 C ATOM 1907 CD GLN B 49 -1.037 -13.610 1.329 1.00 0.00 C ATOM 1908 OE1 GLN B 49 -0.658 -14.704 1.750 1.00 0.00 O ATOM 1909 NE2 GLN B 49 -2.100 -12.988 1.815 1.00 0.00 N ATOM 0 H GLN B 49 2.600 -13.305 -0.429 1.00 0.00 H new ATOM 0 HA GLN B 49 0.995 -11.087 -1.231 1.00 0.00 H new ATOM 0 HB2 GLN B 49 1.453 -12.565 1.371 1.00 0.00 H new ATOM 0 HB3 GLN B 49 0.378 -11.185 1.264 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -1.017 -12.323 -0.377 1.00 0.00 H new ATOM 0 HG3 GLN B 49 0.112 -13.661 -0.472 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -2.379 -12.083 1.437 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -2.640 -13.414 2.568 1.00 0.00 H new ATOM 1918 N HIS B 50 3.662 -10.534 0.547 1.00 0.00 N ATOM 1919 CA HIS B 50 4.547 -9.499 1.059 1.00 0.00 C ATOM 1920 C HIS B 50 5.036 -8.627 -0.085 1.00 0.00 C ATOM 1921 O HIS B 50 5.188 -7.416 0.063 1.00 0.00 O ATOM 1922 CB HIS B 50 5.719 -10.130 1.802 1.00 0.00 C ATOM 1923 CG HIS B 50 5.309 -10.881 3.040 1.00 0.00 C ATOM 1924 ND1 HIS B 50 6.196 -11.305 4.006 1.00 0.00 N ATOM 1925 CD2 HIS B 50 4.087 -11.286 3.459 1.00 0.00 C ATOM 1926 CE1 HIS B 50 5.535 -11.937 4.957 1.00 0.00 C ATOM 1927 NE2 HIS B 50 4.255 -11.938 4.649 1.00 0.00 N ATOM 0 H HIS B 50 4.042 -11.479 0.603 1.00 0.00 H new ATOM 0 HA HIS B 50 3.998 -8.872 1.761 1.00 0.00 H new ATOM 0 HB2 HIS B 50 6.241 -10.811 1.130 1.00 0.00 H new ATOM 0 HB3 HIS B 50 6.427 -9.349 2.078 1.00 0.00 H new ATOM 0 HD1 HIS B 50 7.205 -11.154 3.988 1.00 0.00 H new ATOM 0 HD2 HIS B 50 3.150 -11.124 2.947 1.00 0.00 H new ATOM 0 HE1 HIS B 50 5.971 -12.380 5.840 1.00 0.00 H new ATOM 1936 N ARG B 51 5.272 -9.263 -1.227 1.00 0.00 N ATOM 1937 CA ARG B 51 5.573 -8.559 -2.465 1.00 0.00 C ATOM 1938 C ARG B 51 4.447 -7.607 -2.794 1.00 0.00 C ATOM 1939 O ARG B 51 4.656 -6.413 -2.997 1.00 0.00 O ATOM 1940 CB ARG B 51 5.734 -9.549 -3.622 1.00 0.00 C ATOM 1941 CG ARG B 51 6.924 -10.474 -3.485 1.00 0.00 C ATOM 1942 CD ARG B 51 6.925 -11.548 -4.561 1.00 0.00 C ATOM 1943 NE ARG B 51 7.038 -10.987 -5.907 1.00 0.00 N ATOM 1944 CZ ARG B 51 7.441 -11.686 -6.971 1.00 0.00 C ATOM 1945 NH1 ARG B 51 7.734 -12.974 -6.852 1.00 0.00 N ATOM 1946 NH2 ARG B 51 7.534 -11.099 -8.155 1.00 0.00 N ATOM 0 H ARG B 51 5.260 -10.279 -1.319 1.00 0.00 H new ATOM 0 HA ARG B 51 6.504 -8.009 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG B 51 4.828 -10.150 -3.700 1.00 0.00 H new ATOM 0 HB3 ARG B 51 5.827 -8.990 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG B 51 7.845 -9.895 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG B 51 6.909 -10.944 -2.501 1.00 0.00 H new ATOM 0 HD2 ARG B 51 7.754 -12.234 -4.385 1.00 0.00 H new ATOM 0 HD3 ARG B 51 6.007 -12.132 -4.489 1.00 0.00 H new ATOM 0 HE ARG B 51 6.795 -10.005 -6.041 1.00 0.00 H new ATOM 0 HH11 ARG B 51 7.652 -13.434 -5.945 1.00 0.00 H new ATOM 0 HH12 ARG B 51 8.041 -13.505 -7.667 1.00 0.00 H new ATOM 0 HH21 ARG B 51 7.298 -10.112 -8.255 1.00 0.00 H new ATOM 0 HH22 ARG B 51 7.842 -11.634 -8.967 1.00 0.00 H new ATOM 1960 N ALA B 52 3.246 -8.161 -2.817 1.00 0.00 N ATOM 1961 CA ALA B 52 2.050 -7.421 -3.152 1.00 0.00 C ATOM 1962 C ALA B 52 1.903 -6.178 -2.279 1.00 0.00 C ATOM 1963 O ALA B 52 1.549 -5.103 -2.768 1.00 0.00 O ATOM 1964 CB ALA B 52 0.851 -8.336 -3.006 1.00 0.00 C ATOM 0 H ALA B 52 3.077 -9.144 -2.602 1.00 0.00 H new ATOM 0 HA ALA B 52 2.119 -7.076 -4.184 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -0.057 -7.788 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA B 52 0.959 -9.187 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA B 52 0.788 -8.692 -1.978 1.00 0.00 H new ATOM 1970 N LYS B 53 2.193 -6.324 -0.991 1.00 0.00 N ATOM 1971 CA LYS B 53 2.139 -5.201 -0.065 1.00 0.00 C ATOM 1972 C LYS B 53 3.195 -4.159 -0.416 1.00 0.00 C ATOM 1973 O LYS B 53 2.884 -2.979 -0.575 1.00 0.00 O ATOM 1974 CB LYS B 53 2.327 -5.671 1.380 1.00 0.00 C ATOM 1975 CG LYS B 53 1.352 -6.764 1.785 1.00 0.00 C ATOM 1976 CD LYS B 53 1.198 -6.899 3.295 1.00 0.00 C ATOM 1977 CE LYS B 53 0.163 -5.930 3.843 1.00 0.00 C ATOM 1978 NZ LYS B 53 -0.082 -6.138 5.295 1.00 0.00 N ATOM 0 H LYS B 53 2.468 -7.209 -0.565 1.00 0.00 H new ATOM 0 HA LYS B 53 1.153 -4.745 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS B 53 3.346 -6.037 1.507 1.00 0.00 H new ATOM 0 HB3 LYS B 53 2.208 -4.820 2.051 1.00 0.00 H new ATOM 0 HG2 LYS B 53 0.377 -6.555 1.344 1.00 0.00 H new ATOM 0 HG3 LYS B 53 1.691 -7.715 1.374 1.00 0.00 H new ATOM 0 HD2 LYS B 53 0.907 -7.920 3.541 1.00 0.00 H new ATOM 0 HD3 LYS B 53 2.159 -6.716 3.777 1.00 0.00 H new ATOM 0 HE2 LYS B 53 0.500 -4.907 3.675 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -0.772 -6.051 3.297 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -1.005 -5.735 5.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -0.078 -7.157 5.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 0.666 -5.668 5.844 1.00 0.00 H new ATOM 1992 N LEU B 54 4.435 -4.609 -0.558 1.00 0.00 N ATOM 1993 CA LEU B 54 5.549 -3.725 -0.880 1.00 0.00 C ATOM 1994 C LEU B 54 5.267 -2.904 -2.133 1.00 0.00 C ATOM 1995 O LEU B 54 5.478 -1.692 -2.153 1.00 0.00 O ATOM 1996 CB LEU B 54 6.823 -4.544 -1.068 1.00 0.00 C ATOM 1997 CG LEU B 54 7.354 -5.204 0.203 1.00 0.00 C ATOM 1998 CD1 LEU B 54 8.421 -6.223 -0.138 1.00 0.00 C ATOM 1999 CD2 LEU B 54 7.909 -4.157 1.150 1.00 0.00 C ATOM 0 H LEU B 54 4.696 -5.589 -0.454 1.00 0.00 H new ATOM 0 HA LEU B 54 5.680 -3.032 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU B 54 6.634 -5.319 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU B 54 7.599 -3.895 -1.475 1.00 0.00 H new ATOM 0 HG LEU B 54 6.529 -5.717 0.697 1.00 0.00 H new ATOM 0 HD11 LEU B 54 8.789 -6.685 0.778 1.00 0.00 H new ATOM 0 HD12 LEU B 54 7.997 -6.990 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU B 54 9.245 -5.729 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU B 54 8.283 -4.643 2.051 1.00 0.00 H new ATOM 0 HD22 LEU B 54 8.723 -3.620 0.662 1.00 0.00 H new ATOM 0 HD23 LEU B 54 7.120 -3.454 1.418 1.00 0.00 H new ATOM 2011 N LEU B 55 4.771 -3.567 -3.172 1.00 0.00 N ATOM 2012 CA LEU B 55 4.440 -2.889 -4.418 1.00 0.00 C ATOM 2013 C LEU B 55 3.371 -1.836 -4.202 1.00 0.00 C ATOM 2014 O LEU B 55 3.489 -0.720 -4.691 1.00 0.00 O ATOM 2015 CB LEU B 55 3.968 -3.878 -5.482 1.00 0.00 C ATOM 2016 CG LEU B 55 5.066 -4.481 -6.351 1.00 0.00 C ATOM 2017 CD1 LEU B 55 5.951 -3.378 -6.900 1.00 0.00 C ATOM 2018 CD2 LEU B 55 5.884 -5.497 -5.574 1.00 0.00 C ATOM 0 H LEU B 55 4.590 -4.571 -3.175 1.00 0.00 H new ATOM 0 HA LEU B 55 5.352 -2.404 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU B 55 3.434 -4.689 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU B 55 3.252 -3.373 -6.130 1.00 0.00 H new ATOM 0 HG LEU B 55 4.600 -5.006 -7.185 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.734 -3.814 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU B 55 5.351 -2.695 -7.501 1.00 0.00 H new ATOM 0 HD13 LEU B 55 6.405 -2.831 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU B 55 6.659 -5.910 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU B 55 6.347 -5.011 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU B 55 5.233 -6.300 -5.229 1.00 0.00 H new ATOM 2030 N THR B 56 2.339 -2.197 -3.460 1.00 0.00 N ATOM 2031 CA THR B 56 1.231 -1.295 -3.200 1.00 0.00 C ATOM 2032 C THR B 56 1.700 -0.061 -2.452 1.00 0.00 C ATOM 2033 O THR B 56 1.272 1.059 -2.740 1.00 0.00 O ATOM 2034 CB THR B 56 0.150 -2.002 -2.386 1.00 0.00 C ATOM 2035 OG1 THR B 56 -0.230 -3.197 -3.060 1.00 0.00 O ATOM 2036 CG2 THR B 56 -1.060 -1.109 -2.197 1.00 0.00 C ATOM 0 H THR B 56 2.245 -3.115 -3.024 1.00 0.00 H new ATOM 0 HA THR B 56 0.818 -0.988 -4.161 1.00 0.00 H new ATOM 0 HB THR B 56 0.549 -2.240 -1.400 1.00 0.00 H new ATOM 0 HG1 THR B 56 0.467 -3.875 -2.941 1.00 0.00 H new ATOM 0 HG21 THR B 56 -1.814 -1.637 -1.614 1.00 0.00 H new ATOM 0 HG22 THR B 56 -0.764 -0.202 -1.670 1.00 0.00 H new ATOM 0 HG23 THR B 56 -1.473 -0.845 -3.171 1.00 0.00 H new ATOM 2044 N ALA B 57 2.588 -0.274 -1.494 1.00 0.00 N ATOM 2045 CA ALA B 57 3.166 0.818 -0.748 1.00 0.00 C ATOM 2046 C ALA B 57 3.907 1.758 -1.690 1.00 0.00 C ATOM 2047 O ALA B 57 3.760 2.972 -1.608 1.00 0.00 O ATOM 2048 CB ALA B 57 4.085 0.289 0.337 1.00 0.00 C ATOM 0 H ALA B 57 2.921 -1.198 -1.219 1.00 0.00 H new ATOM 0 HA ALA B 57 2.368 1.381 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA B 57 4.513 1.125 0.891 1.00 0.00 H new ATOM 0 HB2 ALA B 57 3.517 -0.345 1.018 1.00 0.00 H new ATOM 0 HB3 ALA B 57 4.886 -0.294 -0.117 1.00 0.00 H new ATOM 2054 N ALA B 58 4.671 1.183 -2.609 1.00 0.00 N ATOM 2055 CA ALA B 58 5.396 1.968 -3.597 1.00 0.00 C ATOM 2056 C ALA B 58 4.434 2.707 -4.520 1.00 0.00 C ATOM 2057 O ALA B 58 4.638 3.883 -4.828 1.00 0.00 O ATOM 2058 CB ALA B 58 6.319 1.072 -4.403 1.00 0.00 C ATOM 0 H ALA B 58 4.804 0.175 -2.690 1.00 0.00 H new ATOM 0 HA ALA B 58 5.996 2.710 -3.070 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.856 1.671 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.034 0.591 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA B 58 5.731 0.310 -4.915 1.00 0.00 H new ATOM 2064 N GLU B 59 3.379 2.011 -4.943 1.00 0.00 N ATOM 2065 CA GLU B 59 2.362 2.586 -5.816 1.00 0.00 C ATOM 2066 C GLU B 59 1.755 3.830 -5.182 1.00 0.00 C ATOM 2067 O GLU B 59 1.644 4.880 -5.820 1.00 0.00 O ATOM 2068 CB GLU B 59 1.257 1.561 -6.098 1.00 0.00 C ATOM 2069 CG GLU B 59 1.725 0.341 -6.878 1.00 0.00 C ATOM 2070 CD GLU B 59 2.122 0.654 -8.308 1.00 0.00 C ATOM 2071 OE1 GLU B 59 1.764 -0.128 -9.213 1.00 0.00 O ATOM 2072 OE2 GLU B 59 2.803 1.672 -8.540 1.00 0.00 O ATOM 0 H GLU B 59 3.208 1.038 -4.690 1.00 0.00 H new ATOM 0 HA GLU B 59 2.839 2.864 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.832 1.232 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU B 59 0.457 2.049 -6.654 1.00 0.00 H new ATOM 0 HG2 GLU B 59 2.575 -0.106 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.929 -0.404 -6.885 1.00 0.00 H new ATOM 2079 N LEU B 60 1.368 3.710 -3.921 1.00 0.00 N ATOM 2080 CA LEU B 60 0.768 4.821 -3.211 1.00 0.00 C ATOM 2081 C LEU B 60 1.789 5.900 -2.894 1.00 0.00 C ATOM 2082 O LEU B 60 1.546 7.056 -3.173 1.00 0.00 O ATOM 2083 CB LEU B 60 0.077 4.355 -1.934 1.00 0.00 C ATOM 2084 CG LEU B 60 -1.409 4.042 -2.084 1.00 0.00 C ATOM 2085 CD1 LEU B 60 -1.632 2.934 -3.094 1.00 0.00 C ATOM 2086 CD2 LEU B 60 -2.001 3.676 -0.741 1.00 0.00 C ATOM 0 H LEU B 60 1.460 2.855 -3.372 1.00 0.00 H new ATOM 0 HA LEU B 60 0.015 5.251 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU B 60 0.586 3.463 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU B 60 0.196 5.125 -1.172 1.00 0.00 H new ATOM 0 HG LEU B 60 -1.914 4.934 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -2.699 2.731 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -1.240 3.241 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -1.117 2.032 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -3.062 3.455 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -1.489 2.799 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -1.879 4.510 -0.050 1.00 0.00 H new ATOM 2098 N LEU B 61 2.936 5.524 -2.334 1.00 0.00 N ATOM 2099 CA LEU B 61 3.964 6.504 -1.969 1.00 0.00 C ATOM 2100 C LEU B 61 4.393 7.337 -3.169 1.00 0.00 C ATOM 2101 O LEU B 61 4.819 8.480 -3.021 1.00 0.00 O ATOM 2102 CB LEU B 61 5.187 5.811 -1.377 1.00 0.00 C ATOM 2103 CG LEU B 61 4.983 5.175 -0.006 1.00 0.00 C ATOM 2104 CD1 LEU B 61 6.248 4.462 0.422 1.00 0.00 C ATOM 2105 CD2 LEU B 61 4.585 6.224 1.020 1.00 0.00 C ATOM 0 H LEU B 61 3.179 4.556 -2.123 1.00 0.00 H new ATOM 0 HA LEU B 61 3.524 7.166 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU B 61 5.516 5.038 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU B 61 5.995 6.539 -1.304 1.00 0.00 H new ATOM 0 HG LEU B 61 4.174 4.448 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU B 61 6.097 4.009 1.402 1.00 0.00 H new ATOM 0 HD12 LEU B 61 6.491 3.685 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU B 61 7.069 5.177 0.475 1.00 0.00 H new ATOM 0 HD21 LEU B 61 4.445 5.749 1.991 1.00 0.00 H new ATOM 0 HD22 LEU B 61 5.370 6.976 1.095 1.00 0.00 H new ATOM 0 HD23 LEU B 61 3.654 6.700 0.711 1.00 0.00 H new ATOM 2117 N LEU B 62 4.282 6.752 -4.352 1.00 0.00 N ATOM 2118 CA LEU B 62 4.618 7.438 -5.587 1.00 0.00 C ATOM 2119 C LEU B 62 3.740 8.672 -5.775 1.00 0.00 C ATOM 2120 O LEU B 62 4.201 9.706 -6.259 1.00 0.00 O ATOM 2121 CB LEU B 62 4.452 6.476 -6.765 1.00 0.00 C ATOM 2122 CG LEU B 62 4.875 7.012 -8.132 1.00 0.00 C ATOM 2123 CD1 LEU B 62 6.327 7.465 -8.107 1.00 0.00 C ATOM 2124 CD2 LEU B 62 4.670 5.947 -9.193 1.00 0.00 C ATOM 0 H LEU B 62 3.958 5.793 -4.481 1.00 0.00 H new ATOM 0 HA LEU B 62 5.655 7.770 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU B 62 5.028 5.574 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU B 62 3.405 6.179 -6.821 1.00 0.00 H new ATOM 0 HG LEU B 62 4.255 7.875 -8.374 1.00 0.00 H new ATOM 0 HD11 LEU B 62 6.607 7.843 -9.090 1.00 0.00 H new ATOM 0 HD12 LEU B 62 6.449 8.255 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU B 62 6.967 6.622 -7.847 1.00 0.00 H new ATOM 0 HD21 LEU B 62 4.974 6.338 -10.164 1.00 0.00 H new ATOM 0 HD22 LEU B 62 5.271 5.071 -8.950 1.00 0.00 H new ATOM 0 HD23 LEU B 62 3.617 5.666 -9.228 1.00 0.00 H new ATOM 2136 N ASP B 63 2.490 8.564 -5.356 1.00 0.00 N ATOM 2137 CA ASP B 63 1.520 9.637 -5.545 1.00 0.00 C ATOM 2138 C ASP B 63 1.187 10.334 -4.225 1.00 0.00 C ATOM 2139 O ASP B 63 0.943 11.541 -4.185 1.00 0.00 O ATOM 2140 CB ASP B 63 0.245 9.064 -6.159 1.00 0.00 C ATOM 2141 CG ASP B 63 -0.654 10.131 -6.745 1.00 0.00 C ATOM 2142 OD1 ASP B 63 -0.515 10.426 -7.951 1.00 0.00 O ATOM 2143 OD2 ASP B 63 -1.520 10.665 -6.019 1.00 0.00 O ATOM 0 H ASP B 63 2.119 7.741 -4.880 1.00 0.00 H new ATOM 0 HA ASP B 63 1.959 10.378 -6.213 1.00 0.00 H new ATOM 0 HB2 ASP B 63 0.511 8.351 -6.939 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -0.304 8.512 -5.396 1.00 0.00 H new ATOM 2148 N TYR B 64 1.201 9.561 -3.151 1.00 0.00 N ATOM 2149 CA TYR B 64 0.741 10.011 -1.845 1.00 0.00 C ATOM 2150 C TYR B 64 1.897 10.274 -0.888 1.00 0.00 C ATOM 2151 O TYR B 64 1.792 9.983 0.301 1.00 0.00 O ATOM 2152 CB TYR B 64 -0.167 8.952 -1.218 1.00 0.00 C ATOM 2153 CG TYR B 64 -1.451 8.702 -1.965 1.00 0.00 C ATOM 2154 CD1 TYR B 64 -1.525 7.725 -2.943 1.00 0.00 C ATOM 2155 CD2 TYR B 64 -2.592 9.433 -1.677 1.00 0.00 C ATOM 2156 CE1 TYR B 64 -2.700 7.484 -3.618 1.00 0.00 C ATOM 2157 CE2 TYR B 64 -3.772 9.203 -2.349 1.00 0.00 C ATOM 2158 CZ TYR B 64 -3.822 8.225 -3.318 1.00 0.00 C ATOM 2159 OH TYR B 64 -5.000 7.979 -3.981 1.00 0.00 O ATOM 0 H TYR B 64 1.534 8.597 -3.160 1.00 0.00 H new ATOM 0 HA TYR B 64 0.200 10.944 -2.004 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.385 8.015 -1.148 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.408 9.257 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -0.647 7.143 -3.180 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -2.556 10.196 -0.913 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -2.742 6.718 -4.379 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -4.652 9.785 -2.118 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.413 8.829 -4.241 1.00 0.00 H new ATOM 2169 N ASP B 65 2.990 10.833 -1.381 1.00 0.00 N ATOM 2170 CA ASP B 65 4.136 11.138 -0.522 1.00 0.00 C ATOM 2171 C ASP B 65 3.898 12.422 0.277 1.00 0.00 C ATOM 2172 O ASP B 65 4.797 13.246 0.447 1.00 0.00 O ATOM 2173 CB ASP B 65 5.428 11.241 -1.341 1.00 0.00 C ATOM 2174 CG ASP B 65 5.378 12.315 -2.408 1.00 0.00 C ATOM 2175 OD1 ASP B 65 4.756 12.076 -3.463 1.00 0.00 O ATOM 2176 OD2 ASP B 65 5.983 13.386 -2.214 1.00 0.00 O ATOM 0 H ASP B 65 3.114 11.085 -2.362 1.00 0.00 H new ATOM 0 HA ASP B 65 4.248 10.315 0.184 1.00 0.00 H new ATOM 0 HB2 ASP B 65 6.261 11.446 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP B 65 5.628 10.279 -1.813 1.00 0.00 H new ATOM 2181 N THR B 66 2.678 12.551 0.794 1.00 0.00 N ATOM 2182 CA THR B 66 2.240 13.698 1.589 1.00 0.00 C ATOM 2183 C THR B 66 2.561 15.041 0.929 1.00 0.00 C ATOM 2184 O THR B 66 2.852 16.021 1.607 1.00 0.00 O ATOM 2185 CB THR B 66 2.812 13.660 3.027 1.00 0.00 C ATOM 2186 OG1 THR B 66 4.217 13.370 3.018 1.00 0.00 O ATOM 2187 CG2 THR B 66 2.076 12.627 3.864 1.00 0.00 C ATOM 0 H THR B 66 1.951 11.847 0.670 1.00 0.00 H new ATOM 0 HA THR B 66 1.155 13.613 1.646 1.00 0.00 H new ATOM 0 HB THR B 66 2.668 14.646 3.469 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.611 13.685 2.177 1.00 0.00 H new ATOM 0 HG21 THR B 66 2.491 12.613 4.872 1.00 0.00 H new ATOM 0 HG22 THR B 66 1.018 12.883 3.910 1.00 0.00 H new ATOM 0 HG23 THR B 66 2.191 11.642 3.411 1.00 0.00 H new ATOM 2195 N GLY B 67 2.463 15.094 -0.391 1.00 0.00 N ATOM 2196 CA GLY B 67 2.715 16.333 -1.105 1.00 0.00 C ATOM 2197 C GLY B 67 1.487 17.218 -1.175 1.00 0.00 C ATOM 2198 O GLY B 67 1.245 17.876 -2.188 1.00 0.00 O ATOM 0 H GLY B 67 2.213 14.302 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY B 67 3.523 16.875 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY B 67 3.053 16.105 -2.116 1.00 0.00 H new ATOM 2202 N CYS B 68 0.721 17.227 -0.082 1.00 0.00 N ATOM 2203 CA CYS B 68 -0.525 17.991 0.019 1.00 0.00 C ATOM 2204 C CYS B 68 -1.577 17.501 -0.976 1.00 0.00 C ATOM 2205 O CYS B 68 -1.277 16.759 -1.912 1.00 0.00 O ATOM 2206 CB CYS B 68 -0.257 19.484 -0.157 1.00 0.00 C ATOM 2207 SG CYS B 68 0.677 20.226 1.222 1.00 0.00 S ATOM 0 H CYS B 68 0.949 16.702 0.762 1.00 0.00 H new ATOM 0 HA CYS B 68 -0.929 17.829 1.018 1.00 0.00 H new ATOM 0 HB2 CYS B 68 0.296 19.639 -1.084 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -1.208 20.005 -0.262 1.00 0.00 H new ATOM 2212 N GLU B 69 -2.820 17.890 -0.747 1.00 0.00 N ATOM 2213 CA GLU B 69 -3.916 17.464 -1.593 1.00 0.00 C ATOM 2214 C GLU B 69 -4.290 18.567 -2.575 1.00 0.00 C ATOM 2215 O GLU B 69 -4.672 19.667 -2.129 1.00 0.00 O ATOM 2216 CB GLU B 69 -5.123 17.036 -0.744 1.00 0.00 C ATOM 2217 CG GLU B 69 -5.613 18.092 0.235 1.00 0.00 C ATOM 2218 CD GLU B 69 -6.770 17.608 1.081 1.00 0.00 C ATOM 2219 OE1 GLU B 69 -7.840 17.300 0.516 1.00 0.00 O ATOM 2220 OE2 GLU B 69 -6.622 17.547 2.319 1.00 0.00 O ATOM 2221 OXT GLU B 69 -4.183 18.333 -3.793 1.00 0.00 O ATOM 0 H GLU B 69 -3.093 18.503 0.021 1.00 0.00 H new ATOM 0 HA GLU B 69 -3.594 16.597 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU B 69 -5.943 16.768 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -4.859 16.137 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU B 69 -4.791 18.388 0.886 1.00 0.00 H new ATOM 0 HG3 GLU B 69 -5.918 18.981 -0.317 1.00 0.00 H new TER 2228 GLU B 69