USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1153 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 39 GLN : amide:sc= 0.716 K(o=1.5,f=-2.3) USER MOD Set 1.2: B 40 LYS NZ :NH3+ -133:sc= 0.814 (180deg=-0.0621) USER MOD Set 2.1: B 30 SER OG : rot 22:sc= 0.72 USER MOD Set 2.2: B 63 ASN : amide:sc= 0.69 K(o=1.4,f=-0.39) USER MOD Set 3.1: B 18 LYS NZ :NH3+ -145:sc= 0.409 (180deg=-0.0365) USER MOD Set 3.2: B 19 TYR OH : rot 25:sc= 1.21 USER MOD Set 4.1: A 71 GLN : amide:sc= -0.351 K(o=1.4,f=-3.4!) USER MOD Set 4.2: B 71 GLN : amide:sc= 0.483 K(o=1.4,f=-3.4) USER MOD Set 4.3: B 75 THR OG1 : rot 70:sc= 1.23 USER MOD Set 5.1: A 39 GLN : amide:sc= 0.291 K(o=0.98,f=-1) USER MOD Set 5.2: A 40 LYS NZ :NH3+ -171:sc= 0.686 (180deg=-0.12) USER MOD Set 6.1: A 17 HIS : no HE2:sc= 0.134 K(o=1.7,f=-3.7!) USER MOD Set 6.2: A 20 SER OG : rot -172:sc= 1.61 USER MOD Set 7.1: A 18 LYS NZ :NH3+ 167:sc= 0.775 (180deg=0.577) USER MOD Set 7.2: A 19 TYR OH : rot 1:sc= 1.24 USER MOD Single : A 3 SER OG : rot 168:sc= 1.68 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot -28:sc= 0.0565 USER MOD Single : A 30 SER OG : rot 180:sc= -0.389 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -130:sc=-0.00139 (180deg=-0.15) USER MOD Single : A 57 MET CE :methyl -178:sc= -0.694 (180deg=-0.704) USER MOD Single : A 69 ASN : amide:sc= -0.304 K(o=-0.3,f=-8.8!) USER MOD Single : A 73 TYR OH : rot 154:sc= 0.984 USER MOD Single : A 75 THR OG1 : rot 71:sc= 1.17 USER MOD Single : A 82 MET CE :methyl 174:sc= 0 (180deg=-0.0789) USER MOD Single : A 84 TYR OH : rot 20:sc= 0.973 USER MOD Single : A 85 ASN : amide:sc= 0.986 K(o=0.99,f=-0.11) USER MOD Single : B 3 SER OG : rot -160:sc= 0.0867 USER MOD Single : B 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 HIS : no HE2:sc= 0.554 K(o=0.55,f=-2!) USER MOD Single : B 20 SER OG : rot -162:sc= 0.48 USER MOD Single : B 27 HIS : no HE2:sc= -0.275 K(o=-0.27,f=-1.4) USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0177) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 143:sc= -0.133 (180deg=-0.759) USER MOD Single : B 55 LYS NZ :NH3+ -138:sc= -0.0922 (180deg=-0.331) USER MOD Single : B 57 MET CE :methyl 155:sc= -0.0738 (180deg=-1.41) USER MOD Single : B 69 ASN : amide:sc= 0.525 K(o=0.53,f=-4.2!) USER MOD Single : B 73 TYR OH : rot 153:sc= 1.06 USER MOD Single : B 82 MET CE :methyl -174:sc= 0 (180deg=-0.0509) USER MOD Single : B 84 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= 0.821 K(o=0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -6.537 -7.769 -8.667 1.00 0.00 N ATOM 21 CA ALA A 2 -6.548 -6.445 -8.063 1.00 0.00 C ATOM 22 C ALA A 2 -7.690 -6.300 -7.054 1.00 0.00 C ATOM 23 O ALA A 2 -8.739 -5.734 -7.355 1.00 0.00 O ATOM 24 CB ALA A 2 -6.610 -5.374 -9.155 1.00 0.00 C ATOM 0 HA ALA A 2 -5.622 -6.308 -7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.618 -4.386 -8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.739 -5.465 -9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.517 -5.507 -9.744 1.00 0.00 H new ATOM 30 N SER A 3 -7.470 -6.813 -5.845 1.00 0.00 N ATOM 31 CA SER A 3 -8.387 -6.696 -4.724 1.00 0.00 C ATOM 32 C SER A 3 -8.637 -5.233 -4.329 1.00 0.00 C ATOM 33 O SER A 3 -7.878 -4.347 -4.725 1.00 0.00 O ATOM 34 CB SER A 3 -7.752 -7.431 -3.543 1.00 0.00 C ATOM 35 OG SER A 3 -6.496 -6.861 -3.223 1.00 0.00 O ATOM 0 H SER A 3 -6.624 -7.335 -5.617 1.00 0.00 H new ATOM 0 HA SER A 3 -9.350 -7.122 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.412 -7.380 -2.677 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.628 -8.486 -3.788 1.00 0.00 H new ATOM 0 HG SER A 3 -6.191 -7.207 -2.358 1.00 0.00 H new ATOM 41 N PRO A 4 -9.652 -4.967 -3.487 1.00 0.00 N ATOM 42 CA PRO A 4 -9.826 -3.669 -2.854 1.00 0.00 C ATOM 43 C PRO A 4 -8.530 -3.201 -2.183 1.00 0.00 C ATOM 44 O PRO A 4 -8.134 -2.052 -2.351 1.00 0.00 O ATOM 45 CB PRO A 4 -10.971 -3.846 -1.853 1.00 0.00 C ATOM 46 CG PRO A 4 -11.807 -4.953 -2.494 1.00 0.00 C ATOM 47 CD PRO A 4 -10.743 -5.858 -3.114 1.00 0.00 C ATOM 0 HA PRO A 4 -10.066 -2.892 -3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.606 -4.133 -0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.544 -2.927 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.411 -5.483 -1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.493 -4.560 -3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.408 -6.615 -2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.134 -6.387 -3.983 1.00 0.00 H new ATOM 55 N LEU A 5 -7.843 -4.097 -1.458 1.00 0.00 N ATOM 56 CA LEU A 5 -6.508 -3.815 -0.943 1.00 0.00 C ATOM 57 C LEU A 5 -5.560 -3.365 -2.051 1.00 0.00 C ATOM 58 O LEU A 5 -4.976 -2.291 -1.946 1.00 0.00 O ATOM 59 CB LEU A 5 -5.898 -5.026 -0.216 1.00 0.00 C ATOM 60 CG LEU A 5 -5.910 -4.996 1.319 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.968 -6.110 1.798 1.00 0.00 C ATOM 62 CD2 LEU A 5 -5.401 -3.670 1.907 1.00 0.00 C ATOM 0 H LEU A 5 -8.197 -5.023 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.629 -3.004 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.430 -5.920 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.864 -5.133 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.941 -5.123 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.946 -6.125 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.325 -7.072 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.963 -5.926 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.436 -3.717 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.374 -3.499 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.031 -2.852 1.559 1.00 0.00 H new ATOM 74 N ASP A 6 -5.377 -4.185 -3.091 1.00 0.00 N ATOM 75 CA ASP A 6 -4.454 -3.863 -4.174 1.00 0.00 C ATOM 76 C ASP A 6 -4.756 -2.470 -4.735 1.00 0.00 C ATOM 77 O ASP A 6 -3.858 -1.646 -4.893 1.00 0.00 O ATOM 78 CB ASP A 6 -4.555 -4.918 -5.276 1.00 0.00 C ATOM 79 CG ASP A 6 -3.546 -4.658 -6.388 1.00 0.00 C ATOM 80 OD1 ASP A 6 -2.379 -5.068 -6.202 1.00 0.00 O ATOM 81 OD2 ASP A 6 -3.965 -4.071 -7.408 1.00 0.00 O ATOM 0 H ASP A 6 -5.859 -5.077 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.437 -3.861 -3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.384 -5.907 -4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.563 -4.919 -5.690 1.00 0.00 H new ATOM 86 N GLN A 7 -6.035 -2.205 -5.007 1.00 0.00 N ATOM 87 CA GLN A 7 -6.509 -0.927 -5.511 1.00 0.00 C ATOM 88 C GLN A 7 -6.169 0.206 -4.536 1.00 0.00 C ATOM 89 O GLN A 7 -5.639 1.237 -4.941 1.00 0.00 O ATOM 90 CB GLN A 7 -8.017 -1.032 -5.772 1.00 0.00 C ATOM 91 CG GLN A 7 -8.561 0.191 -6.519 1.00 0.00 C ATOM 92 CD GLN A 7 -10.066 0.086 -6.743 1.00 0.00 C ATOM 93 OE1 GLN A 7 -10.828 0.931 -6.287 1.00 0.00 O ATOM 94 NE2 GLN A 7 -10.513 -0.950 -7.445 1.00 0.00 N ATOM 0 H GLN A 7 -6.780 -2.890 -4.879 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.007 -0.686 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.222 -1.931 -6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.542 -1.139 -4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.339 1.094 -5.951 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.055 0.287 -7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.856 -1.638 -7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.513 -1.057 -7.616 1.00 0.00 H new ATOM 103 N ALA A 8 -6.483 0.028 -3.252 1.00 0.00 N ATOM 104 CA ALA A 8 -6.260 1.028 -2.215 1.00 0.00 C ATOM 105 C ALA A 8 -4.767 1.350 -2.069 1.00 0.00 C ATOM 106 O ALA A 8 -4.365 2.514 -2.030 1.00 0.00 O ATOM 107 CB ALA A 8 -6.858 0.522 -0.907 1.00 0.00 C ATOM 0 H ALA A 8 -6.906 -0.831 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.753 1.959 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.697 1.262 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.928 0.356 -1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.377 -0.415 -0.626 1.00 0.00 H new ATOM 113 N ILE A 9 -3.934 0.310 -2.016 1.00 0.00 N ATOM 114 CA ILE A 9 -2.485 0.439 -2.047 1.00 0.00 C ATOM 115 C ILE A 9 -2.101 1.243 -3.294 1.00 0.00 C ATOM 116 O ILE A 9 -1.396 2.246 -3.192 1.00 0.00 O ATOM 117 CB ILE A 9 -1.834 -0.959 -1.991 1.00 0.00 C ATOM 118 CG1 ILE A 9 -2.069 -1.596 -0.607 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.333 -0.884 -2.290 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.774 -3.100 -0.590 1.00 0.00 C ATOM 0 H ILE A 9 -4.255 -0.656 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.113 0.980 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.299 -1.581 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.438 -1.098 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.103 -1.429 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.098 -1.884 -2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.181 -0.470 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.153 -0.245 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.957 -3.495 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.423 -3.606 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.732 -3.270 -0.863 1.00 0.00 H new ATOM 132 N GLY A 10 -2.607 0.831 -4.460 1.00 0.00 N ATOM 133 CA GLY A 10 -2.455 1.539 -5.722 1.00 0.00 C ATOM 134 C GLY A 10 -2.746 3.034 -5.578 1.00 0.00 C ATOM 135 O GLY A 10 -1.938 3.859 -5.993 1.00 0.00 O ATOM 0 H GLY A 10 -3.148 -0.029 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.440 1.401 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.128 1.108 -6.463 1.00 0.00 H new ATOM 139 N LEU A 11 -3.883 3.390 -4.977 1.00 0.00 N ATOM 140 CA LEU A 11 -4.241 4.771 -4.684 1.00 0.00 C ATOM 141 C LEU A 11 -3.141 5.461 -3.871 1.00 0.00 C ATOM 142 O LEU A 11 -2.651 6.511 -4.284 1.00 0.00 O ATOM 143 CB LEU A 11 -5.608 4.830 -3.978 1.00 0.00 C ATOM 144 CG LEU A 11 -6.769 4.975 -4.975 1.00 0.00 C ATOM 145 CD1 LEU A 11 -8.038 4.284 -4.464 1.00 0.00 C ATOM 146 CD2 LEU A 11 -7.069 6.462 -5.194 1.00 0.00 C ATOM 0 H LEU A 11 -4.587 2.715 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.331 5.318 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.749 3.925 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.621 5.670 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.470 4.501 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.838 4.407 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.840 3.222 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.339 4.731 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.892 6.567 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.345 6.921 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.183 6.957 -5.592 1.00 0.00 H new ATOM 158 N LEU A 12 -2.732 4.895 -2.730 1.00 0.00 N ATOM 159 CA LEU A 12 -1.700 5.514 -1.894 1.00 0.00 C ATOM 160 C LEU A 12 -0.384 5.704 -2.664 1.00 0.00 C ATOM 161 O LEU A 12 0.243 6.762 -2.558 1.00 0.00 O ATOM 162 CB LEU A 12 -1.483 4.726 -0.591 1.00 0.00 C ATOM 163 CG LEU A 12 -2.381 5.224 0.558 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.867 5.051 0.250 1.00 0.00 C ATOM 165 CD2 LEU A 12 -2.061 4.458 1.843 1.00 0.00 C ATOM 0 H LEU A 12 -3.098 4.015 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.059 6.506 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.683 3.670 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.438 4.806 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.176 6.288 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.458 5.417 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.121 5.617 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.084 3.996 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.701 4.817 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.238 3.394 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.016 4.617 2.111 1.00 0.00 H new ATOM 177 N ILE A 13 0.037 4.692 -3.429 1.00 0.00 N ATOM 178 CA ILE A 13 1.212 4.779 -4.300 1.00 0.00 C ATOM 179 C ILE A 13 1.043 5.916 -5.315 1.00 0.00 C ATOM 180 O ILE A 13 1.927 6.759 -5.464 1.00 0.00 O ATOM 181 CB ILE A 13 1.470 3.435 -5.011 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.833 2.342 -3.990 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.597 3.573 -6.053 1.00 0.00 C ATOM 184 CD1 ILE A 13 1.894 0.957 -4.641 1.00 0.00 C ATOM 0 H ILE A 13 -0.430 3.786 -3.461 1.00 0.00 H new ATOM 0 HA ILE A 13 2.082 5.000 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 13 0.553 3.147 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.797 2.574 -3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.096 2.335 -3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.761 2.612 -6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.314 4.316 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.515 3.889 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.153 0.212 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.923 0.715 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.650 0.957 -5.426 1.00 0.00 H new ATOM 196 N GLY A 14 -0.078 5.926 -6.037 1.00 0.00 N ATOM 197 CA GLY A 14 -0.363 6.917 -7.060 1.00 0.00 C ATOM 198 C GLY A 14 -0.279 8.317 -6.465 1.00 0.00 C ATOM 199 O GLY A 14 0.484 9.155 -6.943 1.00 0.00 O ATOM 0 H GLY A 14 -0.819 5.235 -5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.347 6.819 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.357 6.748 -7.475 1.00 0.00 H new ATOM 203 N ILE A 15 -1.036 8.546 -5.390 1.00 0.00 N ATOM 204 CA ILE A 15 -1.007 9.784 -4.628 1.00 0.00 C ATOM 205 C ILE A 15 0.435 10.148 -4.282 1.00 0.00 C ATOM 206 O ILE A 15 0.846 11.283 -4.511 1.00 0.00 O ATOM 207 CB ILE A 15 -1.876 9.645 -3.365 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.375 9.584 -3.716 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.577 10.780 -2.379 1.00 0.00 C ATOM 210 CD1 ILE A 15 -4.023 10.952 -3.945 1.00 0.00 C ATOM 0 H ILE A 15 -1.696 7.861 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.421 10.593 -5.230 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.622 8.702 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.502 8.980 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.904 9.074 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.201 10.665 -1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.526 10.744 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.791 11.739 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.077 10.819 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.931 11.554 -3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.522 11.458 -4.770 1.00 0.00 H new ATOM 222 N PHE A 16 1.198 9.199 -3.730 1.00 0.00 N ATOM 223 CA PHE A 16 2.590 9.441 -3.383 1.00 0.00 C ATOM 224 C PHE A 16 3.344 9.991 -4.590 1.00 0.00 C ATOM 225 O PHE A 16 3.824 11.124 -4.560 1.00 0.00 O ATOM 226 CB PHE A 16 3.253 8.160 -2.861 1.00 0.00 C ATOM 227 CG PHE A 16 4.679 8.340 -2.384 1.00 0.00 C ATOM 228 CD1 PHE A 16 4.967 9.279 -1.378 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.713 7.544 -2.916 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.276 9.408 -0.888 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.025 7.688 -2.437 1.00 0.00 C ATOM 232 CZ PHE A 16 7.309 8.635 -1.437 1.00 0.00 C ATOM 0 H PHE A 16 0.869 8.258 -3.516 1.00 0.00 H new ATOM 0 HA PHE A 16 2.625 10.183 -2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.655 7.766 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.240 7.411 -3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.179 9.902 -0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.497 6.824 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.487 10.102 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.816 7.071 -2.837 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.324 8.767 -1.092 1.00 0.00 H new ATOM 242 N HIS A 17 3.432 9.201 -5.662 1.00 0.00 N ATOM 243 CA HIS A 17 4.208 9.578 -6.832 1.00 0.00 C ATOM 244 C HIS A 17 3.682 10.826 -7.530 1.00 0.00 C ATOM 245 O HIS A 17 4.476 11.531 -8.148 1.00 0.00 O ATOM 246 CB HIS A 17 4.432 8.386 -7.763 1.00 0.00 C ATOM 247 CG HIS A 17 5.545 7.472 -7.301 1.00 0.00 C ATOM 248 ND1 HIS A 17 6.649 7.832 -6.549 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.739 6.182 -7.720 1.00 0.00 C ATOM 250 CE1 HIS A 17 7.482 6.779 -6.531 1.00 0.00 C ATOM 251 NE2 HIS A 17 6.970 5.748 -7.221 1.00 0.00 N ATOM 0 H HIS A 17 2.971 8.294 -5.738 1.00 0.00 H new ATOM 0 HA HIS A 17 5.196 9.874 -6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.508 7.813 -7.839 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.663 8.752 -8.763 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.802 8.731 -6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.060 5.603 -8.329 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.438 6.764 -6.028 1.00 0.00 H new ATOM 259 N LYS A 18 2.401 11.163 -7.365 1.00 0.00 N ATOM 260 CA LYS A 18 1.872 12.439 -7.826 1.00 0.00 C ATOM 261 C LYS A 18 2.680 13.630 -7.277 1.00 0.00 C ATOM 262 O LYS A 18 2.681 14.690 -7.900 1.00 0.00 O ATOM 263 CB LYS A 18 0.376 12.535 -7.483 1.00 0.00 C ATOM 264 CG LYS A 18 -0.381 13.451 -8.454 1.00 0.00 C ATOM 265 CD LYS A 18 -1.902 13.354 -8.252 1.00 0.00 C ATOM 266 CE LYS A 18 -2.392 13.992 -6.948 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.114 15.439 -6.908 1.00 0.00 N ATOM 0 H LYS A 18 1.711 10.563 -6.912 1.00 0.00 H new ATOM 0 HA LYS A 18 1.975 12.488 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.066 11.539 -7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.261 12.911 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.059 14.482 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.131 13.181 -9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.403 13.835 -9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.195 12.304 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.464 13.825 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.908 13.505 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.645 15.873 -6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.096 15.593 -6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.404 15.873 -7.807 1.00 0.00 H new ATOM 281 N TYR A 19 3.367 13.467 -6.135 1.00 0.00 N ATOM 282 CA TYR A 19 4.243 14.483 -5.555 1.00 0.00 C ATOM 283 C TYR A 19 5.710 14.034 -5.485 1.00 0.00 C ATOM 284 O TYR A 19 6.600 14.861 -5.674 1.00 0.00 O ATOM 285 CB TYR A 19 3.717 14.895 -4.174 1.00 0.00 C ATOM 286 CG TYR A 19 2.380 15.614 -4.212 1.00 0.00 C ATOM 287 CD1 TYR A 19 1.186 14.875 -4.284 1.00 0.00 C ATOM 288 CD2 TYR A 19 2.324 17.022 -4.200 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.057 15.531 -4.288 1.00 0.00 C ATOM 290 CE2 TYR A 19 1.082 17.678 -4.261 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.109 16.935 -4.287 1.00 0.00 C ATOM 292 OH TYR A 19 -1.304 17.586 -4.347 1.00 0.00 O ATOM 0 H TYR A 19 3.325 12.610 -5.584 1.00 0.00 H new ATOM 0 HA TYR A 19 4.227 15.349 -6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.622 14.005 -3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.452 15.541 -3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.224 13.797 -4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.236 17.598 -4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.971 14.956 -4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.044 18.757 -4.288 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.033 16.931 -4.368 1.00 0.00 H new ATOM 302 N SER A 20 5.996 12.761 -5.193 1.00 0.00 N ATOM 303 CA SER A 20 7.368 12.277 -5.072 1.00 0.00 C ATOM 304 C SER A 20 8.006 12.006 -6.434 1.00 0.00 C ATOM 305 O SER A 20 9.214 12.180 -6.588 1.00 0.00 O ATOM 306 CB SER A 20 7.430 11.046 -4.167 1.00 0.00 C ATOM 307 OG SER A 20 6.616 9.999 -4.648 1.00 0.00 O ATOM 0 H SER A 20 5.287 12.045 -5.036 1.00 0.00 H new ATOM 0 HA SER A 20 7.954 13.069 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.461 10.700 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.114 11.319 -3.160 1.00 0.00 H new ATOM 0 HG SER A 20 6.576 9.283 -3.980 1.00 0.00 H new ATOM 415 N THR A 28 11.338 9.526 -2.665 1.00 0.00 N ATOM 416 CA THR A 28 11.371 10.436 -1.524 1.00 0.00 C ATOM 417 C THR A 28 10.627 11.735 -1.828 1.00 0.00 C ATOM 418 O THR A 28 10.331 12.042 -2.982 1.00 0.00 O ATOM 419 CB THR A 28 12.817 10.728 -1.089 1.00 0.00 C ATOM 420 OG1 THR A 28 13.563 11.298 -2.142 1.00 0.00 O ATOM 421 CG2 THR A 28 13.538 9.483 -0.568 1.00 0.00 C ATOM 0 HA THR A 28 10.861 9.942 -0.697 1.00 0.00 H new ATOM 0 HB THR A 28 12.746 11.442 -0.269 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.202 10.993 -3.001 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.554 9.747 -0.275 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.003 9.087 0.295 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.571 8.727 -1.352 1.00 0.00 H new ATOM 429 N LEU A 29 10.324 12.489 -0.771 1.00 0.00 N ATOM 430 CA LEU A 29 9.819 13.851 -0.830 1.00 0.00 C ATOM 431 C LEU A 29 10.090 14.501 0.532 1.00 0.00 C ATOM 432 O LEU A 29 10.921 13.994 1.290 1.00 0.00 O ATOM 433 CB LEU A 29 8.358 13.891 -1.315 1.00 0.00 C ATOM 434 CG LEU A 29 7.401 12.856 -0.708 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.396 12.856 0.820 1.00 0.00 C ATOM 436 CD2 LEU A 29 5.980 13.132 -1.208 1.00 0.00 C ATOM 0 H LEU A 29 10.430 12.149 0.185 1.00 0.00 H new ATOM 0 HA LEU A 29 10.338 14.447 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.959 14.884 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.355 13.763 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 29 7.754 11.875 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.698 12.101 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.397 12.630 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.089 13.837 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.295 12.400 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.676 14.134 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.956 13.059 -2.295 1.00 0.00 H new ATOM 448 N SER A 30 9.466 15.639 0.851 1.00 0.00 N ATOM 449 CA SER A 30 9.794 16.412 2.042 1.00 0.00 C ATOM 450 C SER A 30 8.625 17.301 2.478 1.00 0.00 C ATOM 451 O SER A 30 7.573 17.319 1.838 1.00 0.00 O ATOM 452 CB SER A 30 11.040 17.271 1.769 1.00 0.00 C ATOM 453 OG SER A 30 12.077 16.515 1.179 1.00 0.00 O ATOM 0 H SER A 30 8.720 16.046 0.287 1.00 0.00 H new ATOM 0 HA SER A 30 9.998 15.715 2.855 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.774 18.099 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.394 17.707 2.704 1.00 0.00 H new ATOM 0 HG SER A 30 12.852 17.093 1.018 1.00 0.00 H new ATOM 459 N LYS A 31 8.860 18.048 3.561 1.00 0.00 N ATOM 460 CA LYS A 31 8.003 19.040 4.202 1.00 0.00 C ATOM 461 C LYS A 31 6.889 19.588 3.306 1.00 0.00 C ATOM 462 O LYS A 31 5.712 19.284 3.497 1.00 0.00 O ATOM 463 CB LYS A 31 8.874 20.205 4.711 1.00 0.00 C ATOM 464 CG LYS A 31 9.840 19.810 5.834 1.00 0.00 C ATOM 465 CD LYS A 31 10.693 21.002 6.285 1.00 0.00 C ATOM 466 CE LYS A 31 11.817 21.324 5.291 1.00 0.00 C ATOM 467 NZ LYS A 31 12.638 22.452 5.765 1.00 0.00 N ATOM 0 H LYS A 31 9.746 17.961 4.058 1.00 0.00 H new ATOM 0 HA LYS A 31 7.501 18.527 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.447 20.609 3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.224 21.004 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.275 19.423 6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.490 19.005 5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.055 21.878 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.126 20.787 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.447 20.445 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.388 21.566 4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.390 22.648 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.039 23.295 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.065 22.210 6.682 1.00 0.00 H new ATOM 481 N LYS A 32 7.276 20.429 2.342 1.00 0.00 N ATOM 482 CA LYS A 32 6.372 21.130 1.452 1.00 0.00 C ATOM 483 C LYS A 32 5.434 20.132 0.777 1.00 0.00 C ATOM 484 O LYS A 32 4.215 20.278 0.830 1.00 0.00 O ATOM 485 CB LYS A 32 7.233 21.914 0.453 1.00 0.00 C ATOM 486 CG LYS A 32 6.415 22.833 -0.457 1.00 0.00 C ATOM 487 CD LYS A 32 7.333 23.736 -1.289 1.00 0.00 C ATOM 488 CE LYS A 32 8.111 22.957 -2.357 1.00 0.00 C ATOM 489 NZ LYS A 32 8.897 23.864 -3.212 1.00 0.00 N ATOM 0 H LYS A 32 8.257 20.641 2.162 1.00 0.00 H new ATOM 0 HA LYS A 32 5.733 21.831 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.961 22.511 1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.795 21.211 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.790 22.234 -1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.745 23.446 0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.736 24.510 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.037 24.242 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.776 22.240 -1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.416 22.385 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.413 23.309 -3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.258 24.532 -3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.576 24.392 -2.627 1.00 0.00 H new ATOM 503 N GLU A 33 6.009 19.094 0.170 1.00 0.00 N ATOM 504 CA GLU A 33 5.255 18.056 -0.504 1.00 0.00 C ATOM 505 C GLU A 33 4.287 17.366 0.457 1.00 0.00 C ATOM 506 O GLU A 33 3.152 17.117 0.071 1.00 0.00 O ATOM 507 CB GLU A 33 6.187 17.035 -1.159 1.00 0.00 C ATOM 508 CG GLU A 33 7.223 17.669 -2.102 1.00 0.00 C ATOM 509 CD GLU A 33 8.570 17.890 -1.418 1.00 0.00 C ATOM 510 OE1 GLU A 33 8.654 18.826 -0.594 1.00 0.00 O ATOM 511 OE2 GLU A 33 9.483 17.085 -1.698 1.00 0.00 O ATOM 0 H GLU A 33 7.019 18.956 0.136 1.00 0.00 H new ATOM 0 HA GLU A 33 4.669 18.532 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.708 16.478 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.589 16.316 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.361 17.026 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.843 18.623 -2.467 1.00 0.00 H new ATOM 518 N LEU A 34 4.705 17.051 1.688 1.00 0.00 N ATOM 519 CA LEU A 34 3.796 16.459 2.671 1.00 0.00 C ATOM 520 C LEU A 34 2.629 17.399 2.993 1.00 0.00 C ATOM 521 O LEU A 34 1.472 16.977 2.973 1.00 0.00 O ATOM 522 CB LEU A 34 4.520 16.061 3.965 1.00 0.00 C ATOM 523 CG LEU A 34 5.384 14.788 3.908 1.00 0.00 C ATOM 524 CD1 LEU A 34 5.721 14.388 5.351 1.00 0.00 C ATOM 525 CD2 LEU A 34 4.678 13.600 3.244 1.00 0.00 C ATOM 0 H LEU A 34 5.657 17.195 2.023 1.00 0.00 H new ATOM 0 HA LEU A 34 3.400 15.552 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.157 16.892 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.772 15.931 4.747 1.00 0.00 H new ATOM 0 HG LEU A 34 6.266 15.017 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.334 13.487 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.269 15.197 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.799 14.196 5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.345 12.738 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.774 13.356 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.413 13.861 2.219 1.00 0.00 H new ATOM 537 N LYS A 35 2.920 18.665 3.309 1.00 0.00 N ATOM 538 CA LYS A 35 1.879 19.639 3.623 1.00 0.00 C ATOM 539 C LYS A 35 0.910 19.778 2.443 1.00 0.00 C ATOM 540 O LYS A 35 -0.307 19.732 2.625 1.00 0.00 O ATOM 541 CB LYS A 35 2.495 20.981 4.039 1.00 0.00 C ATOM 542 CG LYS A 35 3.121 20.858 5.437 1.00 0.00 C ATOM 543 CD LYS A 35 3.927 22.097 5.843 1.00 0.00 C ATOM 544 CE LYS A 35 3.037 23.331 6.017 1.00 0.00 C ATOM 545 NZ LYS A 35 3.802 24.465 6.565 1.00 0.00 N ATOM 0 H LYS A 35 3.869 19.036 3.353 1.00 0.00 H new ATOM 0 HA LYS A 35 1.302 19.282 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.254 21.282 3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.730 21.757 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.331 20.689 6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.772 19.984 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.454 21.896 6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.684 22.300 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.606 23.610 5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.207 23.093 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.175 25.287 6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.193 24.204 7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.579 24.705 5.917 1.00 0.00 H new ATOM 559 N GLU A 36 1.446 19.906 1.227 1.00 0.00 N ATOM 560 CA GLU A 36 0.649 19.914 0.010 1.00 0.00 C ATOM 561 C GLU A 36 -0.193 18.645 -0.101 1.00 0.00 C ATOM 562 O GLU A 36 -1.395 18.740 -0.312 1.00 0.00 O ATOM 563 CB GLU A 36 1.549 20.101 -1.218 1.00 0.00 C ATOM 564 CG GLU A 36 1.665 21.573 -1.631 1.00 0.00 C ATOM 565 CD GLU A 36 2.126 22.505 -0.510 1.00 0.00 C ATOM 566 OE1 GLU A 36 1.250 22.944 0.270 1.00 0.00 O ATOM 567 OE2 GLU A 36 3.340 22.793 -0.473 1.00 0.00 O ATOM 0 H GLU A 36 2.448 20.007 1.064 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.040 20.758 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.542 19.706 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.150 19.522 -2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.364 21.651 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.696 21.914 -1.996 1.00 0.00 H new ATOM 574 N LEU A 37 0.420 17.469 0.029 1.00 0.00 N ATOM 575 CA LEU A 37 -0.273 16.186 -0.004 1.00 0.00 C ATOM 576 C LEU A 37 -1.515 16.225 0.881 1.00 0.00 C ATOM 577 O LEU A 37 -2.622 16.051 0.378 1.00 0.00 O ATOM 578 CB LEU A 37 0.657 15.037 0.420 1.00 0.00 C ATOM 579 CG LEU A 37 1.368 14.375 -0.765 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.617 13.636 -0.281 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.434 13.367 -1.440 1.00 0.00 C ATOM 0 H LEU A 37 1.428 17.382 0.162 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.584 16.001 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.403 15.419 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.076 14.285 0.955 1.00 0.00 H new ATOM 0 HG LEU A 37 1.650 15.152 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.115 13.169 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.297 14.343 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.330 12.869 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.948 12.901 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.146 12.600 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.458 13.881 -1.799 1.00 0.00 H new ATOM 593 N ILE A 38 -1.352 16.458 2.189 1.00 0.00 N ATOM 594 CA ILE A 38 -2.514 16.481 3.073 1.00 0.00 C ATOM 595 C ILE A 38 -3.501 17.566 2.621 1.00 0.00 C ATOM 596 O ILE A 38 -4.671 17.273 2.385 1.00 0.00 O ATOM 597 CB ILE A 38 -2.110 16.534 4.565 1.00 0.00 C ATOM 598 CG1 ILE A 38 -3.344 16.436 5.479 1.00 0.00 C ATOM 599 CG2 ILE A 38 -1.292 17.771 4.944 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.977 16.044 6.915 1.00 0.00 C ATOM 0 H ILE A 38 -0.455 16.628 2.644 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.053 15.537 2.989 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.465 15.668 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.863 17.394 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.038 15.701 5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.048 17.735 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.372 17.791 4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.873 18.669 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.882 15.988 7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.482 15.073 6.912 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.305 16.792 7.336 1.00 0.00 H new ATOM 612 N GLN A 39 -3.031 18.802 2.442 1.00 0.00 N ATOM 613 CA GLN A 39 -3.872 19.944 2.104 1.00 0.00 C ATOM 614 C GLN A 39 -4.734 19.690 0.854 1.00 0.00 C ATOM 615 O GLN A 39 -5.934 19.949 0.868 1.00 0.00 O ATOM 616 CB GLN A 39 -2.957 21.162 1.945 1.00 0.00 C ATOM 617 CG GLN A 39 -3.693 22.489 1.714 1.00 0.00 C ATOM 618 CD GLN A 39 -2.751 23.579 1.203 1.00 0.00 C ATOM 619 OE1 GLN A 39 -3.149 24.419 0.404 1.00 0.00 O ATOM 620 NE2 GLN A 39 -1.484 23.551 1.610 1.00 0.00 N ATOM 0 H GLN A 39 -2.042 19.037 2.530 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.590 20.123 2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.339 21.255 2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.282 20.986 1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.498 22.338 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.155 22.815 2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.178 22.842 2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.819 24.239 1.256 1.00 0.00 H new ATOM 629 N LYS A 40 -4.119 19.230 -0.239 1.00 0.00 N ATOM 630 CA LYS A 40 -4.793 19.009 -1.511 1.00 0.00 C ATOM 631 C LYS A 40 -5.591 17.706 -1.468 1.00 0.00 C ATOM 632 O LYS A 40 -6.762 17.684 -1.835 1.00 0.00 O ATOM 633 CB LYS A 40 -3.790 18.920 -2.679 1.00 0.00 C ATOM 634 CG LYS A 40 -3.372 20.232 -3.369 1.00 0.00 C ATOM 635 CD LYS A 40 -2.138 20.925 -2.775 1.00 0.00 C ATOM 636 CE LYS A 40 -2.489 21.924 -1.671 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.150 23.132 -2.196 1.00 0.00 N ATOM 0 H LYS A 40 -3.126 18.999 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.456 19.859 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.887 18.434 -2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.217 18.264 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.179 20.024 -4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.211 20.926 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.462 20.170 -2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.601 21.443 -3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.143 21.443 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.580 22.211 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.230 23.841 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.588 23.523 -2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.099 22.886 -2.542 1.00 0.00 H new ATOM 651 N GLU A 41 -4.942 16.599 -1.098 1.00 0.00 N ATOM 652 CA GLU A 41 -5.518 15.273 -1.273 1.00 0.00 C ATOM 653 C GLU A 41 -6.508 14.899 -0.171 1.00 0.00 C ATOM 654 O GLU A 41 -7.367 14.052 -0.409 1.00 0.00 O ATOM 655 CB GLU A 41 -4.410 14.226 -1.423 1.00 0.00 C ATOM 656 CG GLU A 41 -3.350 14.597 -2.472 1.00 0.00 C ATOM 657 CD GLU A 41 -3.930 14.918 -3.844 1.00 0.00 C ATOM 658 OE1 GLU A 41 -4.773 14.124 -4.312 1.00 0.00 O ATOM 659 OE2 GLU A 41 -3.490 15.943 -4.411 1.00 0.00 O ATOM 0 H GLU A 41 -4.014 16.600 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.101 15.295 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.921 14.086 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.859 13.271 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.785 15.459 -2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.644 13.772 -2.570 1.00 0.00 H new ATOM 666 N LEU A 42 -6.399 15.496 1.019 1.00 0.00 N ATOM 667 CA LEU A 42 -7.403 15.395 2.071 1.00 0.00 C ATOM 668 C LEU A 42 -8.137 16.733 2.121 1.00 0.00 C ATOM 669 O LEU A 42 -7.827 17.599 2.937 1.00 0.00 O ATOM 670 CB LEU A 42 -6.762 14.965 3.401 1.00 0.00 C ATOM 671 CG LEU A 42 -6.327 13.487 3.379 1.00 0.00 C ATOM 672 CD1 LEU A 42 -5.327 13.186 4.499 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.531 12.556 3.543 1.00 0.00 C ATOM 0 H LEU A 42 -5.597 16.071 1.278 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.135 14.615 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.897 15.595 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.472 15.122 4.213 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.855 13.312 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.039 12.136 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.442 13.810 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.787 13.398 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.195 11.519 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.022 12.761 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.235 12.724 2.728 1.00 0.00 H new ATOM 794 N ASP A 50 -7.828 17.045 15.580 1.00 0.00 N ATOM 795 CA ASP A 50 -6.472 17.402 15.980 1.00 0.00 C ATOM 796 C ASP A 50 -5.466 16.851 14.978 1.00 0.00 C ATOM 797 O ASP A 50 -4.565 17.569 14.556 1.00 0.00 O ATOM 798 CB ASP A 50 -6.176 16.847 17.376 1.00 0.00 C ATOM 799 CG ASP A 50 -4.735 17.105 17.793 1.00 0.00 C ATOM 800 OD1 ASP A 50 -4.464 18.242 18.233 1.00 0.00 O ATOM 801 OD2 ASP A 50 -3.934 16.154 17.657 1.00 0.00 O ATOM 0 HA ASP A 50 -6.387 18.488 16.003 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.851 17.304 18.099 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.372 15.775 17.390 1.00 0.00 H new ATOM 806 N ALA A 51 -5.624 15.580 14.605 1.00 0.00 N ATOM 807 CA ALA A 51 -4.720 14.849 13.727 1.00 0.00 C ATOM 808 C ALA A 51 -4.129 15.712 12.606 1.00 0.00 C ATOM 809 O ALA A 51 -2.918 15.916 12.549 1.00 0.00 O ATOM 810 CB ALA A 51 -5.482 13.661 13.146 1.00 0.00 C ATOM 0 H ALA A 51 -6.413 15.015 14.919 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.867 14.516 14.318 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.826 13.096 12.484 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.822 13.016 13.956 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.343 14.021 12.583 1.00 0.00 H new ATOM 816 N GLU A 52 -4.991 16.224 11.720 1.00 0.00 N ATOM 817 CA GLU A 52 -4.594 17.040 10.579 1.00 0.00 C ATOM 818 C GLU A 52 -3.852 18.298 11.036 1.00 0.00 C ATOM 819 O GLU A 52 -2.857 18.702 10.432 1.00 0.00 O ATOM 820 CB GLU A 52 -5.850 17.398 9.766 1.00 0.00 C ATOM 821 CG GLU A 52 -5.563 18.371 8.608 1.00 0.00 C ATOM 822 CD GLU A 52 -6.802 18.676 7.771 1.00 0.00 C ATOM 823 OE1 GLU A 52 -7.913 18.391 8.265 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.617 19.218 6.661 1.00 0.00 O ATOM 0 H GLU A 52 -5.999 16.078 11.781 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.906 16.476 9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.288 16.484 9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.591 17.842 10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.165 19.302 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.792 17.946 7.966 1.00 0.00 H new ATOM 831 N ILE A 53 -4.376 18.930 12.088 1.00 0.00 N ATOM 832 CA ILE A 53 -3.893 20.203 12.585 1.00 0.00 C ATOM 833 C ILE A 53 -2.441 19.985 12.994 1.00 0.00 C ATOM 834 O ILE A 53 -1.545 20.688 12.538 1.00 0.00 O ATOM 835 CB ILE A 53 -4.726 20.702 13.787 1.00 0.00 C ATOM 836 CG1 ILE A 53 -6.237 20.898 13.552 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.146 22.050 14.239 1.00 0.00 C ATOM 838 CD1 ILE A 53 -7.008 19.690 13.011 1.00 0.00 C ATOM 0 H ILE A 53 -5.161 18.558 12.622 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.981 20.969 11.814 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.652 19.907 14.529 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.693 21.199 14.495 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.369 21.726 12.856 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.717 22.425 15.088 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.104 21.918 14.532 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.204 22.765 13.418 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.058 19.954 12.889 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.593 19.396 12.047 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.922 18.860 13.712 1.00 0.00 H new ATOM 850 N VAL A 54 -2.219 18.982 13.845 1.00 0.00 N ATOM 851 CA VAL A 54 -0.890 18.598 14.266 1.00 0.00 C ATOM 852 C VAL A 54 -0.058 18.288 13.029 1.00 0.00 C ATOM 853 O VAL A 54 0.944 18.958 12.825 1.00 0.00 O ATOM 854 CB VAL A 54 -0.958 17.455 15.291 1.00 0.00 C ATOM 855 CG1 VAL A 54 0.425 16.874 15.610 1.00 0.00 C ATOM 856 CG2 VAL A 54 -1.543 18.021 16.589 1.00 0.00 C ATOM 0 H VAL A 54 -2.963 18.419 14.257 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.391 19.414 14.789 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.570 16.658 14.870 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.323 16.070 16.339 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.874 16.482 14.698 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.063 17.657 16.021 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.603 17.230 17.336 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.902 18.821 16.958 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.541 18.415 16.397 1.00 0.00 H new ATOM 866 N LYS A 55 -0.471 17.329 12.192 1.00 0.00 N ATOM 867 CA LYS A 55 0.263 16.931 10.990 1.00 0.00 C ATOM 868 C LYS A 55 0.837 18.132 10.232 1.00 0.00 C ATOM 869 O LYS A 55 2.031 18.150 9.932 1.00 0.00 O ATOM 870 CB LYS A 55 -0.624 16.075 10.070 1.00 0.00 C ATOM 871 CG LYS A 55 -0.230 14.593 9.995 1.00 0.00 C ATOM 872 CD LYS A 55 -0.524 13.745 11.243 1.00 0.00 C ATOM 873 CE LYS A 55 0.437 13.936 12.424 1.00 0.00 C ATOM 874 NZ LYS A 55 1.846 13.732 12.038 1.00 0.00 N ATOM 0 H LYS A 55 -1.334 16.803 12.334 1.00 0.00 H new ATOM 0 HA LYS A 55 1.111 16.329 11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.656 16.145 10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.594 16.496 9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.747 14.144 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.838 14.533 9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.535 13.971 11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.511 12.694 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.316 14.940 12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.176 13.237 13.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.297 13.075 12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.889 13.334 11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.347 14.643 12.058 1.00 0.00 H new ATOM 888 N LEU A 56 0.004 19.134 9.932 1.00 0.00 N ATOM 889 CA LEU A 56 0.438 20.287 9.149 1.00 0.00 C ATOM 890 C LEU A 56 1.654 20.991 9.772 1.00 0.00 C ATOM 891 O LEU A 56 2.577 21.368 9.053 1.00 0.00 O ATOM 892 CB LEU A 56 -0.740 21.255 8.964 1.00 0.00 C ATOM 893 CG LEU A 56 -1.740 20.770 7.902 1.00 0.00 C ATOM 894 CD1 LEU A 56 -3.085 21.475 8.103 1.00 0.00 C ATOM 895 CD2 LEU A 56 -1.232 21.065 6.485 1.00 0.00 C ATOM 0 H LEU A 56 -0.974 19.166 10.221 1.00 0.00 H new ATOM 0 HA LEU A 56 0.763 19.932 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.257 21.379 9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.359 22.235 8.678 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.855 19.692 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.793 21.130 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.471 21.245 9.096 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.949 22.552 8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.961 20.710 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.092 22.139 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.282 20.555 6.326 1.00 0.00 H new ATOM 907 N MET A 57 1.646 21.188 11.093 1.00 0.00 N ATOM 908 CA MET A 57 2.723 21.849 11.826 1.00 0.00 C ATOM 909 C MET A 57 3.852 20.852 12.111 1.00 0.00 C ATOM 910 O MET A 57 4.999 21.041 11.702 1.00 0.00 O ATOM 911 CB MET A 57 2.149 22.471 13.112 1.00 0.00 C ATOM 912 CG MET A 57 1.827 23.967 12.944 1.00 0.00 C ATOM 913 SD MET A 57 0.928 24.518 11.462 1.00 0.00 S ATOM 914 CE MET A 57 -0.639 23.646 11.639 1.00 0.00 C ATOM 0 H MET A 57 0.877 20.887 11.691 1.00 0.00 H new ATOM 0 HA MET A 57 3.153 22.653 11.228 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.243 21.937 13.398 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.864 22.345 13.925 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.248 24.278 13.814 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.770 24.512 12.977 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.275 23.863 10.781 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.454 22.573 11.692 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.137 23.974 12.552 1.00 0.00 H new ATOM 924 N ASP A 58 3.499 19.771 12.810 1.00 0.00 N ATOM 925 CA ASP A 58 4.350 18.641 13.152 1.00 0.00 C ATOM 926 C ASP A 58 5.217 18.206 11.979 1.00 0.00 C ATOM 927 O ASP A 58 6.331 17.760 12.208 1.00 0.00 O ATOM 928 CB ASP A 58 3.498 17.463 13.636 1.00 0.00 C ATOM 929 CG ASP A 58 4.345 16.228 13.930 1.00 0.00 C ATOM 930 OD1 ASP A 58 5.160 16.307 14.874 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.162 15.229 13.200 1.00 0.00 O ATOM 0 H ASP A 58 2.552 19.659 13.172 1.00 0.00 H new ATOM 0 HA ASP A 58 5.014 18.964 13.954 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.956 17.753 14.536 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.752 17.220 12.879 1.00 0.00 H new ATOM 936 N ASP A 59 4.740 18.364 10.741 1.00 0.00 N ATOM 937 CA ASP A 59 5.508 18.141 9.525 1.00 0.00 C ATOM 938 C ASP A 59 6.978 18.585 9.644 1.00 0.00 C ATOM 939 O ASP A 59 7.872 17.861 9.203 1.00 0.00 O ATOM 940 CB ASP A 59 4.840 18.914 8.385 1.00 0.00 C ATOM 941 CG ASP A 59 5.674 18.821 7.120 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.744 17.697 6.578 1.00 0.00 O ATOM 943 OD2 ASP A 59 6.247 19.864 6.740 1.00 0.00 O ATOM 0 H ASP A 59 3.781 18.659 10.558 1.00 0.00 H new ATOM 0 HA ASP A 59 5.519 17.068 9.334 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.843 18.513 8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.716 19.959 8.670 1.00 0.00 H new ATOM 948 N LEU A 60 7.252 19.753 10.234 1.00 0.00 N ATOM 949 CA LEU A 60 8.634 20.192 10.412 1.00 0.00 C ATOM 950 C LEU A 60 9.418 19.152 11.228 1.00 0.00 C ATOM 951 O LEU A 60 10.422 18.603 10.767 1.00 0.00 O ATOM 952 CB LEU A 60 8.693 21.581 11.076 1.00 0.00 C ATOM 953 CG LEU A 60 8.279 22.787 10.208 1.00 0.00 C ATOM 954 CD1 LEU A 60 8.943 22.778 8.828 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.764 22.956 10.048 1.00 0.00 C ATOM 0 H LEU A 60 6.547 20.399 10.590 1.00 0.00 H new ATOM 0 HA LEU A 60 9.099 20.280 9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.054 21.563 11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.712 21.748 11.424 1.00 0.00 H new ATOM 0 HG LEU A 60 8.643 23.647 10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.615 23.649 8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.026 22.808 8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.661 21.871 8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.559 23.826 9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.346 22.066 9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.308 23.097 11.028 1.00 0.00 H new ATOM 967 N ASP A 61 8.936 18.858 12.438 1.00 0.00 N ATOM 968 CA ASP A 61 9.540 17.897 13.354 1.00 0.00 C ATOM 969 C ASP A 61 9.618 16.518 12.702 1.00 0.00 C ATOM 970 O ASP A 61 10.641 15.850 12.767 1.00 0.00 O ATOM 971 CB ASP A 61 8.722 17.818 14.651 1.00 0.00 C ATOM 972 CG ASP A 61 8.536 19.182 15.305 1.00 0.00 C ATOM 973 OD1 ASP A 61 7.651 19.921 14.821 1.00 0.00 O ATOM 974 OD2 ASP A 61 9.286 19.463 16.265 1.00 0.00 O ATOM 0 H ASP A 61 8.094 19.294 12.814 1.00 0.00 H new ATOM 0 HA ASP A 61 10.550 18.230 13.591 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.745 17.385 14.435 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.220 17.147 15.351 1.00 0.00 H new ATOM 979 N ARG A 62 8.526 16.102 12.064 1.00 0.00 N ATOM 980 CA ARG A 62 8.387 14.858 11.330 1.00 0.00 C ATOM 981 C ARG A 62 9.542 14.676 10.349 1.00 0.00 C ATOM 982 O ARG A 62 10.088 13.578 10.244 1.00 0.00 O ATOM 983 CB ARG A 62 7.044 14.898 10.585 1.00 0.00 C ATOM 984 CG ARG A 62 6.785 13.700 9.674 1.00 0.00 C ATOM 985 CD ARG A 62 6.398 12.484 10.509 1.00 0.00 C ATOM 986 NE ARG A 62 6.441 11.272 9.692 1.00 0.00 N ATOM 987 CZ ARG A 62 7.567 10.606 9.405 1.00 0.00 C ATOM 988 NH1 ARG A 62 8.780 11.049 9.766 1.00 0.00 N ATOM 989 NH2 ARG A 62 7.484 9.465 8.730 1.00 0.00 N ATOM 0 H ARG A 62 7.671 16.658 12.048 1.00 0.00 H new ATOM 0 HA ARG A 62 8.411 14.013 12.018 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.239 14.961 11.317 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.003 15.808 9.987 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.989 13.935 8.968 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.677 13.480 9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.078 12.384 11.355 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.397 12.619 10.918 1.00 0.00 H new ATOM 0 HE ARG A 62 5.562 10.913 9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.871 11.925 10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.612 10.510 9.527 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.573 9.110 8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.331 8.944 8.503 1.00 0.00 H new ATOM 1068 N GLU A 67 14.735 14.733 4.115 1.00 0.00 N ATOM 1069 CA GLU A 67 13.812 14.058 3.215 1.00 0.00 C ATOM 1070 C GLU A 67 13.169 12.850 3.906 1.00 0.00 C ATOM 1071 O GLU A 67 13.772 12.242 4.788 1.00 0.00 O ATOM 1072 CB GLU A 67 14.538 13.618 1.937 1.00 0.00 C ATOM 1073 CG GLU A 67 15.214 14.788 1.207 1.00 0.00 C ATOM 1074 CD GLU A 67 15.804 14.343 -0.128 1.00 0.00 C ATOM 1075 OE1 GLU A 67 16.660 13.433 -0.091 1.00 0.00 O ATOM 1076 OE2 GLU A 67 15.394 14.923 -1.157 1.00 0.00 O ATOM 0 HA GLU A 67 13.023 14.759 2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.289 12.870 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.825 13.139 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.487 15.583 1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.002 15.204 1.835 1.00 0.00 H new ATOM 1083 N VAL A 68 11.962 12.490 3.467 1.00 0.00 N ATOM 1084 CA VAL A 68 11.227 11.318 3.919 1.00 0.00 C ATOM 1085 C VAL A 68 10.918 10.436 2.706 1.00 0.00 C ATOM 1086 O VAL A 68 10.677 10.943 1.610 1.00 0.00 O ATOM 1087 CB VAL A 68 9.949 11.728 4.677 1.00 0.00 C ATOM 1088 CG1 VAL A 68 10.211 11.930 6.172 1.00 0.00 C ATOM 1089 CG2 VAL A 68 9.302 13.005 4.145 1.00 0.00 C ATOM 0 H VAL A 68 11.456 13.028 2.763 1.00 0.00 H new ATOM 0 HA VAL A 68 11.833 10.747 4.623 1.00 0.00 H new ATOM 0 HB VAL A 68 9.265 10.895 4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.284 12.218 6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.581 11.001 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.955 12.715 6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.409 13.230 4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.007 13.832 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.028 12.866 3.099 1.00 0.00 H new ATOM 1099 N ASN A 69 10.962 9.114 2.911 1.00 0.00 N ATOM 1100 CA ASN A 69 10.701 8.096 1.896 1.00 0.00 C ATOM 1101 C ASN A 69 9.233 7.662 1.898 1.00 0.00 C ATOM 1102 O ASN A 69 8.427 8.163 2.681 1.00 0.00 O ATOM 1103 CB ASN A 69 11.653 6.903 2.089 1.00 0.00 C ATOM 1104 CG ASN A 69 11.377 6.102 3.364 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.252 5.686 3.628 1.00 0.00 O ATOM 1106 ND2 ASN A 69 12.400 5.888 4.185 1.00 0.00 N ATOM 0 H ASN A 69 11.189 8.714 3.821 1.00 0.00 H new ATOM 0 HA ASN A 69 10.894 8.529 0.914 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.571 6.240 1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.680 7.268 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.258 5.370 5.052 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.327 6.242 3.948 1.00 0.00 H new ATOM 1113 N PHE A 70 8.897 6.695 1.038 1.00 0.00 N ATOM 1114 CA PHE A 70 7.569 6.100 0.970 1.00 0.00 C ATOM 1115 C PHE A 70 7.022 5.711 2.348 1.00 0.00 C ATOM 1116 O PHE A 70 5.988 6.232 2.751 1.00 0.00 O ATOM 1117 CB PHE A 70 7.574 4.906 0.010 1.00 0.00 C ATOM 1118 CG PHE A 70 6.226 4.224 -0.149 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.123 4.948 -0.641 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.074 2.862 0.171 1.00 0.00 C ATOM 1121 CE1 PHE A 70 3.899 4.301 -0.878 1.00 0.00 C ATOM 1122 CE2 PHE A 70 4.843 2.222 -0.043 1.00 0.00 C ATOM 1123 CZ PHE A 70 3.757 2.936 -0.578 1.00 0.00 C ATOM 0 H PHE A 70 9.553 6.302 0.363 1.00 0.00 H new ATOM 0 HA PHE A 70 6.890 6.860 0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.915 5.244 -0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.299 4.173 0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.219 6.006 -0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.905 2.308 0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.067 4.853 -1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.730 1.177 0.204 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.816 2.437 -0.758 1.00 0.00 H new ATOM 1133 N GLN A 71 7.683 4.816 3.090 1.00 0.00 N ATOM 1134 CA GLN A 71 7.127 4.360 4.362 1.00 0.00 C ATOM 1135 C GLN A 71 7.015 5.523 5.347 1.00 0.00 C ATOM 1136 O GLN A 71 6.073 5.578 6.133 1.00 0.00 O ATOM 1137 CB GLN A 71 7.917 3.191 4.968 1.00 0.00 C ATOM 1138 CG GLN A 71 7.067 2.432 6.011 1.00 0.00 C ATOM 1139 CD GLN A 71 5.887 1.706 5.370 1.00 0.00 C ATOM 1140 OE1 GLN A 71 6.016 1.164 4.277 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.724 1.687 6.014 1.00 0.00 N ATOM 0 H GLN A 71 8.581 4.403 2.838 1.00 0.00 H new ATOM 0 HA GLN A 71 6.126 3.980 4.157 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.226 2.507 4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.826 3.566 5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.695 1.711 6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.698 3.135 6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.636 2.143 6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.919 1.216 5.600 1.00 0.00 H new ATOM 1150 N GLU A 72 7.956 6.469 5.305 1.00 0.00 N ATOM 1151 CA GLU A 72 7.852 7.674 6.114 1.00 0.00 C ATOM 1152 C GLU A 72 6.554 8.431 5.788 1.00 0.00 C ATOM 1153 O GLU A 72 5.788 8.766 6.695 1.00 0.00 O ATOM 1154 CB GLU A 72 9.096 8.547 5.934 1.00 0.00 C ATOM 1155 CG GLU A 72 10.388 7.879 6.433 1.00 0.00 C ATOM 1156 CD GLU A 72 10.403 7.675 7.945 1.00 0.00 C ATOM 1157 OE1 GLU A 72 10.149 8.674 8.653 1.00 0.00 O ATOM 1158 OE2 GLU A 72 10.651 6.525 8.363 1.00 0.00 O ATOM 0 H GLU A 72 8.791 6.420 4.722 1.00 0.00 H new ATOM 0 HA GLU A 72 7.804 7.395 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.208 8.794 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.952 9.486 6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.507 6.914 5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.243 8.491 6.145 1.00 0.00 H new ATOM 1165 N TYR A 73 6.284 8.669 4.503 1.00 0.00 N ATOM 1166 CA TYR A 73 5.028 9.261 4.052 1.00 0.00 C ATOM 1167 C TYR A 73 3.833 8.443 4.564 1.00 0.00 C ATOM 1168 O TYR A 73 2.904 8.991 5.162 1.00 0.00 O ATOM 1169 CB TYR A 73 5.041 9.402 2.517 1.00 0.00 C ATOM 1170 CG TYR A 73 3.716 9.181 1.807 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.779 10.223 1.693 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.449 7.939 1.199 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.613 10.040 0.927 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.251 7.736 0.496 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.356 8.801 0.313 1.00 0.00 C ATOM 1176 OH TYR A 73 0.269 8.652 -0.497 1.00 0.00 O ATOM 0 H TYR A 73 6.933 8.455 3.746 1.00 0.00 H new ATOM 0 HA TYR A 73 4.921 10.262 4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.399 10.401 2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.766 8.694 2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.954 11.164 2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.170 7.138 1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.913 10.854 0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.018 6.760 0.096 1.00 0.00 H new ATOM 0 HH TYR A 73 0.440 7.937 -1.145 1.00 0.00 H new ATOM 1186 N ILE A 74 3.865 7.124 4.363 1.00 0.00 N ATOM 1187 CA ILE A 74 2.829 6.218 4.843 1.00 0.00 C ATOM 1188 C ILE A 74 2.668 6.342 6.364 1.00 0.00 C ATOM 1189 O ILE A 74 1.558 6.221 6.869 1.00 0.00 O ATOM 1190 CB ILE A 74 3.131 4.768 4.419 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.152 4.545 2.895 1.00 0.00 C ATOM 1192 CG2 ILE A 74 2.136 3.791 5.041 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.776 4.626 2.226 1.00 0.00 C ATOM 0 H ILE A 74 4.617 6.655 3.859 1.00 0.00 H new ATOM 0 HA ILE A 74 1.881 6.500 4.386 1.00 0.00 H new ATOM 0 HB ILE A 74 4.138 4.579 4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.808 5.287 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.586 3.567 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.375 2.776 4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.195 3.854 6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.127 4.044 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.882 4.457 1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.120 3.866 2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.346 5.613 2.397 1.00 0.00 H new ATOM 1205 N THR A 75 3.749 6.593 7.105 1.00 0.00 N ATOM 1206 CA THR A 75 3.690 6.811 8.543 1.00 0.00 C ATOM 1207 C THR A 75 3.043 8.162 8.859 1.00 0.00 C ATOM 1208 O THR A 75 2.251 8.246 9.792 1.00 0.00 O ATOM 1209 CB THR A 75 5.079 6.640 9.172 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.577 5.358 8.845 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.041 6.761 10.698 1.00 0.00 C ATOM 0 H THR A 75 4.691 6.650 6.719 1.00 0.00 H new ATOM 0 HA THR A 75 3.052 6.053 8.996 1.00 0.00 H new ATOM 0 HB THR A 75 5.717 7.431 8.779 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.803 5.328 7.892 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.047 6.633 11.098 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.662 7.745 10.976 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.387 5.992 11.108 1.00 0.00 H new ATOM 1219 N PHE A 76 3.331 9.214 8.084 1.00 0.00 N ATOM 1220 CA PHE A 76 2.646 10.500 8.230 1.00 0.00 C ATOM 1221 C PHE A 76 1.130 10.308 8.069 1.00 0.00 C ATOM 1222 O PHE A 76 0.349 10.661 8.957 1.00 0.00 O ATOM 1223 CB PHE A 76 3.217 11.516 7.229 1.00 0.00 C ATOM 1224 CG PHE A 76 2.699 12.936 7.365 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.192 13.763 8.393 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.878 13.492 6.364 1.00 0.00 C ATOM 1227 CE1 PHE A 76 2.938 15.146 8.375 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.590 14.869 6.368 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.133 15.699 7.364 1.00 0.00 C ATOM 0 H PHE A 76 4.036 9.198 7.347 1.00 0.00 H new ATOM 0 HA PHE A 76 2.818 10.899 9.230 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.302 11.533 7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.001 11.165 6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.768 13.333 9.199 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.468 12.859 5.591 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.361 15.783 9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.951 15.289 5.605 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.932 16.760 7.353 1.00 0.00 H new ATOM 1239 N LEU A 77 0.715 9.691 6.955 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.690 9.354 6.740 1.00 0.00 C ATOM 1241 C LEU A 77 -1.209 8.442 7.856 1.00 0.00 C ATOM 1242 O LEU A 77 -2.320 8.620 8.348 1.00 0.00 O ATOM 1243 CB LEU A 77 -0.897 8.678 5.377 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.568 9.552 4.156 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -0.979 8.778 2.898 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.298 10.901 4.180 1.00 0.00 C ATOM 0 H LEU A 77 1.334 9.417 6.192 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.255 10.286 6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.281 7.780 5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.936 8.355 5.303 1.00 0.00 H new ATOM 0 HG LEU A 77 0.500 9.768 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.757 9.376 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.425 7.840 2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.048 8.567 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.028 11.476 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.375 10.732 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.010 11.455 5.074 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.406 7.459 8.254 1.00 0.00 N ATOM 1259 CA GLY A 78 -0.732 6.514 9.303 1.00 0.00 C ATOM 1260 C GLY A 78 -1.063 7.233 10.605 1.00 0.00 C ATOM 1261 O GLY A 78 -2.049 6.909 11.259 1.00 0.00 O ATOM 0 H GLY A 78 0.513 7.299 7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.581 5.903 8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.108 5.837 9.461 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.242 8.213 10.983 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.461 9.026 12.164 1.00 0.00 C ATOM 1267 C ALA A 79 -1.753 9.824 12.016 1.00 0.00 C ATOM 1268 O ALA A 79 -2.581 9.796 12.917 1.00 0.00 O ATOM 1269 CB ALA A 79 0.747 9.938 12.399 1.00 0.00 C ATOM 0 H ALA A 79 0.602 8.462 10.467 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.568 8.383 13.038 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.576 10.546 13.287 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.640 9.329 12.542 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.885 10.588 11.535 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.952 10.514 10.888 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.191 11.249 10.619 1.00 0.00 C ATOM 1277 C LEU A 80 -4.403 10.343 10.881 1.00 0.00 C ATOM 1278 O LEU A 80 -5.257 10.605 11.743 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.122 11.778 9.172 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.332 12.542 8.607 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.448 11.625 8.093 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.886 13.559 9.600 1.00 0.00 C ATOM 0 H LEU A 80 -1.262 10.578 10.140 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.306 12.103 11.286 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.254 12.434 9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.933 10.927 8.517 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.947 13.084 7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.269 12.231 7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.060 10.992 7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.809 10.999 8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.739 14.073 9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.204 13.046 10.508 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.112 14.286 9.846 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.421 9.240 10.127 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.429 8.206 10.191 1.00 0.00 C ATOM 1296 C ALA A 81 -5.660 7.784 11.635 1.00 0.00 C ATOM 1297 O ALA A 81 -6.777 7.901 12.127 1.00 0.00 O ATOM 1298 CB ALA A 81 -4.989 7.019 9.328 1.00 0.00 C ATOM 0 H ALA A 81 -3.700 9.046 9.432 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.374 8.588 9.804 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.746 6.236 9.373 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.866 7.346 8.295 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.042 6.629 9.701 1.00 0.00 H new ATOM 1304 N MET A 82 -4.620 7.294 12.307 1.00 0.00 N ATOM 1305 CA MET A 82 -4.729 6.732 13.640 1.00 0.00 C ATOM 1306 C MET A 82 -5.168 7.774 14.666 1.00 0.00 C ATOM 1307 O MET A 82 -5.966 7.458 15.542 1.00 0.00 O ATOM 1308 CB MET A 82 -3.409 6.049 14.013 1.00 0.00 C ATOM 1309 CG MET A 82 -3.441 5.411 15.409 1.00 0.00 C ATOM 1310 SD MET A 82 -2.312 4.011 15.638 1.00 0.00 S ATOM 1311 CE MET A 82 -0.742 4.770 15.181 1.00 0.00 C ATOM 0 H MET A 82 -3.671 7.279 11.933 1.00 0.00 H new ATOM 0 HA MET A 82 -5.515 5.976 13.644 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.181 5.282 13.273 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.602 6.781 13.972 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.201 6.176 16.147 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.457 5.076 15.616 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.070 4.068 15.371 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.758 5.029 14.122 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.588 5.672 15.773 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.657 9.006 14.584 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.026 10.038 15.539 1.00 0.00 C ATOM 1323 C ILE A 83 -6.523 10.332 15.427 1.00 0.00 C ATOM 1324 O ILE A 83 -7.180 10.374 16.470 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.160 11.308 15.425 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.679 11.050 15.755 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -4.674 12.375 16.412 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -1.799 12.185 15.211 1.00 0.00 C ATOM 0 H ILE A 83 -3.993 9.305 13.870 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.823 9.657 16.540 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.235 11.642 14.390 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.550 10.968 16.834 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.365 10.100 15.323 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.060 13.272 16.330 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.709 12.621 16.176 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.616 11.988 17.429 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.755 11.985 15.454 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.914 12.248 14.129 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.102 13.129 15.663 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.082 10.555 14.222 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.530 10.813 14.174 1.00 0.00 C ATOM 1342 C TYR A 84 -9.394 9.546 14.279 1.00 0.00 C ATOM 1343 O TYR A 84 -10.462 9.578 14.890 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.977 11.878 13.156 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.689 11.744 11.671 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -9.137 10.623 10.947 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.370 12.922 10.966 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -9.192 10.659 9.539 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -8.395 12.954 9.565 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.825 11.827 8.846 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.947 11.904 7.490 1.00 0.00 O ATOM 0 H TYR A 84 -6.593 10.563 13.327 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.750 11.327 15.110 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.058 11.977 13.259 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.539 12.823 13.477 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.440 9.730 11.473 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.102 13.814 11.514 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.517 9.787 8.990 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.084 13.844 9.039 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.574 11.218 7.179 1.00 0.00 H new ATOM 1361 N ASN A 85 -8.941 8.410 13.745 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.660 7.147 13.884 1.00 0.00 C ATOM 1363 C ASN A 85 -9.377 6.544 15.255 1.00 0.00 C ATOM 1364 O ASN A 85 -8.491 5.705 15.404 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.299 6.134 12.791 1.00 0.00 C ATOM 1366 CG ASN A 85 -9.841 6.516 11.420 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -10.925 6.093 11.033 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -9.083 7.297 10.660 1.00 0.00 N ATOM 0 H ASN A 85 -8.075 8.342 13.210 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.722 7.369 13.778 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.214 6.042 12.733 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.688 5.154 13.069 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.398 7.561 9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.186 7.633 11.010 1.00 0.00 H new ATOM 1375 N GLU A 86 -10.195 6.910 16.246 1.00 0.00 N ATOM 1376 CA GLU A 86 -10.208 6.272 17.560 1.00 0.00 C ATOM 1377 C GLU A 86 -10.094 4.744 17.434 1.00 0.00 C ATOM 1378 O GLU A 86 -9.311 4.108 18.140 1.00 0.00 O ATOM 1379 CB GLU A 86 -11.482 6.661 18.320 1.00 0.00 C ATOM 1380 CG GLU A 86 -11.567 8.178 18.530 1.00 0.00 C ATOM 1381 CD GLU A 86 -12.738 8.556 19.432 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -13.881 8.238 19.038 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -12.467 9.148 20.498 1.00 0.00 O ATOM 0 H GLU A 86 -10.873 7.666 16.155 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.343 6.623 18.122 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.356 6.319 17.766 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.499 6.157 19.286 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.637 8.537 18.971 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.675 8.674 17.565 1.00 0.00 H new ATOM 1390 N ALA A 87 -10.820 4.174 16.468 1.00 0.00 N ATOM 1391 CA ALA A 87 -10.842 2.748 16.161 1.00 0.00 C ATOM 1392 C ALA A 87 -9.521 2.186 15.594 1.00 0.00 C ATOM 1393 O ALA A 87 -9.527 1.097 15.015 1.00 0.00 O ATOM 1394 CB ALA A 87 -12.002 2.481 15.195 1.00 0.00 C ATOM 0 H ALA A 87 -11.430 4.717 15.857 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.979 2.221 17.105 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.036 1.419 14.952 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.941 2.777 15.663 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.855 3.057 14.282 1.00 0.00 H new ATOM 1400 N LEU A 88 -8.401 2.903 15.741 1.00 0.00 N ATOM 1401 CA LEU A 88 -7.055 2.427 15.445 1.00 0.00 C ATOM 1402 C LEU A 88 -6.076 2.686 16.592 1.00 0.00 C ATOM 1403 O LEU A 88 -4.890 2.413 16.426 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.522 3.154 14.207 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.152 2.716 12.886 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -6.475 3.541 11.794 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -6.893 1.228 12.629 1.00 0.00 C ATOM 0 H LEU A 88 -8.413 3.864 16.082 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.127 1.351 15.285 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.684 4.224 14.334 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.445 3.000 14.148 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.231 2.868 12.905 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.888 3.268 10.823 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.650 4.601 11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.403 3.343 11.800 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.350 0.937 11.683 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.819 1.048 12.583 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.325 0.638 13.437 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.437 12.967 2.778 1.00 0.00 N ATOM 1470 CA ALA B 2 -13.866 11.686 2.391 1.00 0.00 C ATOM 1471 C ALA B 2 -13.227 11.751 1.000 1.00 0.00 C ATOM 1472 O ALA B 2 -13.686 11.103 0.061 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.903 10.568 2.507 1.00 0.00 C ATOM 0 HA ALA B 2 -13.062 11.450 3.088 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.451 9.621 2.212 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.250 10.499 3.538 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.748 10.786 1.854 1.00 0.00 H new ATOM 1479 N SER B 3 -12.156 12.536 0.873 1.00 0.00 N ATOM 1480 CA SER B 3 -11.357 12.658 -0.338 1.00 0.00 C ATOM 1481 C SER B 3 -10.772 11.300 -0.764 1.00 0.00 C ATOM 1482 O SER B 3 -10.758 10.371 0.043 1.00 0.00 O ATOM 1483 CB SER B 3 -10.226 13.639 -0.026 1.00 0.00 C ATOM 1484 OG SER B 3 -10.698 14.676 0.807 1.00 0.00 O ATOM 0 H SER B 3 -11.814 13.120 1.636 1.00 0.00 H new ATOM 0 HA SER B 3 -11.977 13.011 -1.162 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.405 13.115 0.463 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.831 14.057 -0.952 1.00 0.00 H new ATOM 0 HG SER B 3 -10.093 15.445 0.747 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.224 11.173 -1.987 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.610 9.940 -2.463 1.00 0.00 C ATOM 1492 C PRO B 4 -8.628 9.334 -1.457 1.00 0.00 C ATOM 1493 O PRO B 4 -8.710 8.143 -1.164 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.942 10.285 -3.795 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.811 11.431 -4.312 1.00 0.00 C ATOM 1496 CD PRO B 4 -10.173 12.186 -3.032 1.00 0.00 C ATOM 0 HA PRO B 4 -10.364 9.164 -2.593 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.904 10.591 -3.662 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.939 9.437 -4.480 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.270 12.064 -5.015 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.697 11.065 -4.830 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.430 12.950 -2.803 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.132 12.694 -3.134 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.722 10.146 -0.894 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.847 9.662 0.166 1.00 0.00 C ATOM 1506 C LEU B 5 -7.649 9.114 1.343 1.00 0.00 C ATOM 1507 O LEU B 5 -7.359 8.019 1.806 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.871 10.738 0.672 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.429 10.640 0.155 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.566 11.590 0.997 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.822 9.232 0.291 1.00 0.00 C ATOM 0 H LEU B 5 -7.582 11.122 -1.153 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.260 8.859 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.267 11.716 0.399 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.848 10.696 1.761 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.448 10.893 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.533 11.543 0.654 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.938 12.609 0.892 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.614 11.293 2.045 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.802 9.237 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.812 8.940 1.341 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.421 8.521 -0.278 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.634 9.860 1.848 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.409 9.420 3.002 1.00 0.00 C ATOM 1525 C ASP B 6 -10.096 8.090 2.702 1.00 0.00 C ATOM 1526 O ASP B 6 -10.132 7.209 3.553 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.431 10.474 3.419 1.00 0.00 C ATOM 1528 CG ASP B 6 -11.083 10.092 4.746 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -10.450 10.361 5.792 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -12.203 9.540 4.688 1.00 0.00 O ATOM 0 H ASP B 6 -8.911 10.768 1.475 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.722 9.278 3.837 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.944 11.444 3.513 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -11.194 10.574 2.647 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.622 7.940 1.485 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.248 6.710 1.030 1.00 0.00 C ATOM 1537 C GLN B 7 -10.230 5.562 1.000 1.00 0.00 C ATOM 1538 O GLN B 7 -10.476 4.498 1.562 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.889 6.960 -0.342 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.792 5.800 -0.774 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.403 6.047 -2.149 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -13.207 5.266 -3.072 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -14.146 7.140 -2.305 1.00 0.00 N ATOM 0 H GLN B 7 -10.622 8.681 0.784 1.00 0.00 H new ATOM 0 HA GLN B 7 -12.031 6.408 1.725 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.472 7.880 -0.307 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.106 7.107 -1.086 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -12.214 4.876 -0.792 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -13.587 5.664 -0.041 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -14.293 7.773 -1.519 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -14.569 7.344 -3.211 1.00 0.00 H new ATOM 1552 N ALA B 8 -9.088 5.765 0.341 1.00 0.00 N ATOM 1553 CA ALA B 8 -8.051 4.749 0.190 1.00 0.00 C ATOM 1554 C ALA B 8 -7.475 4.334 1.549 1.00 0.00 C ATOM 1555 O ALA B 8 -7.332 3.149 1.848 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.960 5.291 -0.726 1.00 0.00 C ATOM 0 H ALA B 8 -8.857 6.651 -0.108 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.487 3.855 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.179 4.540 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.388 5.529 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.532 6.193 -0.288 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.162 5.320 2.389 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.810 5.105 3.782 1.00 0.00 C ATOM 1564 C ILE B 9 -7.926 4.271 4.412 1.00 0.00 C ATOM 1565 O ILE B 9 -7.666 3.177 4.899 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.586 6.461 4.485 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.275 7.098 3.985 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.552 6.308 6.010 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.135 8.569 4.391 1.00 0.00 C ATOM 0 H ILE B 9 -7.147 6.302 2.112 1.00 0.00 H new ATOM 0 HA ILE B 9 -5.872 4.560 3.886 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.425 7.112 4.237 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.429 6.535 4.380 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.230 7.020 2.899 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.393 7.283 6.470 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.499 5.894 6.355 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -5.740 5.637 6.290 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.193 8.963 4.011 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -5.963 9.142 3.974 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.150 8.649 5.478 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.165 4.765 4.357 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.368 4.109 4.846 1.00 0.00 C ATOM 1583 C GLY B 10 -10.418 2.629 4.473 1.00 0.00 C ATOM 1584 O GLY B 10 -10.700 1.790 5.321 1.00 0.00 O ATOM 0 H GLY B 10 -9.360 5.679 3.949 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.418 4.209 5.930 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.244 4.613 4.439 1.00 0.00 H new ATOM 1588 N LEU B 11 -10.124 2.297 3.215 1.00 0.00 N ATOM 1589 CA LEU B 11 -9.982 0.924 2.755 1.00 0.00 C ATOM 1590 C LEU B 11 -8.951 0.167 3.608 1.00 0.00 C ATOM 1591 O LEU B 11 -9.289 -0.850 4.215 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.658 0.928 1.249 1.00 0.00 C ATOM 1593 CG LEU B 11 -10.937 0.908 0.394 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.755 1.691 -0.911 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.305 -0.541 0.061 1.00 0.00 C ATOM 0 H LEU B 11 -9.977 2.988 2.480 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.919 0.381 2.883 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.071 1.813 1.005 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -9.044 0.061 1.006 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.733 1.381 0.969 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.679 1.655 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.511 2.728 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.946 1.247 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.211 -0.556 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.490 -1.005 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.477 -1.094 0.984 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.708 0.655 3.698 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.675 0.008 4.516 1.00 0.00 C ATOM 1609 C LEU B 12 -7.102 -0.117 5.991 1.00 0.00 C ATOM 1610 O LEU B 12 -6.868 -1.158 6.613 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.319 0.729 4.377 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.474 0.218 3.195 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.173 0.415 1.852 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -3.133 0.958 3.141 1.00 0.00 C ATOM 0 H LEU B 12 -7.393 1.496 3.214 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.551 -1.006 4.136 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.495 1.798 4.253 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.753 0.604 5.300 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.325 -0.849 3.362 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.536 0.039 1.052 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.118 -0.129 1.850 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.365 1.476 1.694 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.546 0.587 2.301 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.312 2.026 3.015 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.586 0.788 4.069 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.719 0.929 6.554 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.267 0.918 7.911 1.00 0.00 C ATOM 1628 C ILE B 13 -9.288 -0.212 8.056 1.00 0.00 C ATOM 1629 O ILE B 13 -9.167 -1.047 8.948 1.00 0.00 O ATOM 1630 CB ILE B 13 -8.906 2.276 8.278 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.854 3.398 8.230 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.589 2.208 9.658 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.366 4.718 8.810 1.00 0.00 C ATOM 0 H ILE B 13 -7.852 1.818 6.071 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.444 0.746 8.604 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.676 2.504 7.541 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -6.969 3.083 8.782 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.545 3.556 7.197 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.031 3.176 9.893 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.369 1.447 9.641 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -8.850 1.952 10.417 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.580 5.471 8.749 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.234 5.052 8.242 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -8.648 4.572 9.853 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.309 -0.214 7.201 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.387 -1.186 7.229 1.00 0.00 C ATOM 1647 C GLY B 14 -10.812 -2.592 7.163 1.00 0.00 C ATOM 1648 O GLY B 14 -11.138 -3.439 7.993 1.00 0.00 O ATOM 0 H GLY B 14 -10.407 0.476 6.456 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -11.975 -1.065 8.139 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -12.062 -1.019 6.389 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.920 -2.823 6.198 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.217 -4.088 6.064 1.00 0.00 C ATOM 1654 C ILE B 15 -8.523 -4.458 7.375 1.00 0.00 C ATOM 1655 O ILE B 15 -8.644 -5.595 7.818 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.238 -4.028 4.881 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.989 -3.957 3.537 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.278 -5.223 4.913 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.554 -5.303 3.075 1.00 0.00 C ATOM 0 H ILE B 15 -9.669 -2.134 5.489 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.936 -4.879 5.851 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.649 -3.116 4.977 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.806 -3.241 3.625 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.312 -3.576 2.773 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.593 -5.162 4.067 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.709 -5.208 5.843 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.849 -6.150 4.852 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.069 -5.174 2.123 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.740 -6.017 2.954 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.257 -5.677 3.819 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.807 -3.520 8.006 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.202 -3.801 9.301 1.00 0.00 C ATOM 1673 C PHE B 16 -8.274 -4.244 10.293 1.00 0.00 C ATOM 1674 O PHE B 16 -8.265 -5.388 10.747 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.445 -2.583 9.842 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.651 -2.848 11.108 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.620 -3.803 11.114 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -5.923 -2.115 12.279 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.803 -3.954 12.247 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.096 -2.252 13.405 1.00 0.00 C ATOM 1681 CZ PHE B 16 -4.037 -3.175 13.391 1.00 0.00 C ATOM 0 H PHE B 16 -7.638 -2.581 7.646 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.481 -4.607 9.169 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.765 -2.221 9.071 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.160 -1.784 10.037 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.455 -4.423 10.245 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.770 -1.446 12.311 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.994 -4.670 12.238 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.274 -1.648 14.282 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.404 -3.285 14.259 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.209 -3.342 10.606 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.158 -3.542 11.689 1.00 0.00 C ATOM 1693 C HIS B 17 -10.982 -4.816 11.479 1.00 0.00 C ATOM 1694 O HIS B 17 -11.270 -5.515 12.450 1.00 0.00 O ATOM 1695 CB HIS B 17 -10.999 -2.279 11.932 1.00 0.00 C ATOM 1696 CG HIS B 17 -11.426 -2.132 13.377 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -10.890 -1.262 14.307 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -12.344 -2.912 14.030 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -11.480 -1.520 15.487 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -12.375 -2.514 15.370 1.00 0.00 N ATOM 0 H HIS B 17 -9.324 -2.457 10.113 1.00 0.00 H new ATOM 0 HA HIS B 17 -9.605 -3.705 12.614 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -10.424 -1.402 11.636 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -11.884 -2.309 11.297 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -10.177 -0.554 14.131 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -12.939 -3.697 13.587 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -11.263 -0.997 16.407 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.309 -5.154 10.225 1.00 0.00 N ATOM 1709 CA LYS B 18 -12.006 -6.385 9.875 1.00 0.00 C ATOM 1710 C LYS B 18 -11.344 -7.622 10.496 1.00 0.00 C ATOM 1711 O LYS B 18 -12.049 -8.557 10.871 1.00 0.00 O ATOM 1712 CB LYS B 18 -12.090 -6.494 8.343 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.831 -7.750 7.866 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.960 -7.731 6.338 1.00 0.00 C ATOM 1715 CE LYS B 18 -13.728 -8.949 5.809 1.00 0.00 C ATOM 1716 NZ LYS B 18 -13.039 -10.219 6.107 1.00 0.00 N ATOM 0 H LYS B 18 -11.091 -4.568 9.419 1.00 0.00 H new ATOM 0 HA LYS B 18 -13.014 -6.347 10.289 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.594 -5.611 7.950 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -11.081 -6.496 7.930 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.292 -8.643 8.183 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.820 -7.795 8.323 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -13.470 -6.819 6.029 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.966 -7.707 5.891 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.725 -8.967 6.250 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.858 -8.853 4.731 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.188 -10.887 5.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.021 -10.043 6.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.422 -10.624 6.985 1.00 0.00 H new ATOM 1730 N TYR B 19 -10.010 -7.646 10.583 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.265 -8.779 11.122 1.00 0.00 C ATOM 1732 C TYR B 19 -8.750 -8.488 12.535 1.00 0.00 C ATOM 1733 O TYR B 19 -8.820 -9.358 13.399 1.00 0.00 O ATOM 1734 CB TYR B 19 -8.152 -9.188 10.150 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.677 -9.849 8.885 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -9.117 -9.059 7.806 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.828 -11.247 8.819 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -9.610 -9.661 6.636 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -9.380 -11.845 7.672 1.00 0.00 C ATOM 1740 CZ TYR B 19 -9.729 -11.058 6.565 1.00 0.00 C ATOM 1741 OH TYR B 19 -10.247 -11.654 5.454 1.00 0.00 O ATOM 0 H TYR B 19 -9.417 -6.874 10.279 1.00 0.00 H new ATOM 0 HA TYR B 19 -9.937 -9.632 11.221 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.573 -8.305 9.878 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.471 -9.873 10.655 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -9.075 -7.982 7.878 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.519 -11.862 9.651 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.897 -9.050 5.793 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -9.536 -12.913 7.644 1.00 0.00 H new ATOM 0 HH TYR B 19 -10.120 -11.068 4.679 1.00 0.00 H new ATOM 1751 N SER B 20 -8.236 -7.284 12.796 1.00 0.00 N ATOM 1752 CA SER B 20 -7.672 -6.943 14.095 1.00 0.00 C ATOM 1753 C SER B 20 -8.762 -6.832 15.164 1.00 0.00 C ATOM 1754 O SER B 20 -8.540 -7.223 16.308 1.00 0.00 O ATOM 1755 CB SER B 20 -6.831 -5.665 13.982 1.00 0.00 C ATOM 1756 OG SER B 20 -7.636 -4.551 13.680 1.00 0.00 O ATOM 0 H SER B 20 -8.201 -6.526 12.115 1.00 0.00 H new ATOM 0 HA SER B 20 -7.011 -7.748 14.415 1.00 0.00 H new ATOM 0 HB2 SER B 20 -6.301 -5.491 14.919 1.00 0.00 H new ATOM 0 HB3 SER B 20 -6.075 -5.791 13.207 1.00 0.00 H new ATOM 0 HG SER B 20 -7.074 -3.823 13.341 1.00 0.00 H new ATOM 1847 N HIS B 27 -6.950 -3.030 18.028 1.00 0.00 N ATOM 1848 CA HIS B 27 -6.058 -2.228 17.206 1.00 0.00 C ATOM 1849 C HIS B 27 -4.707 -2.920 16.970 1.00 0.00 C ATOM 1850 O HIS B 27 -3.749 -2.256 16.572 1.00 0.00 O ATOM 1851 CB HIS B 27 -5.899 -0.852 17.868 1.00 0.00 C ATOM 1852 CG HIS B 27 -7.213 -0.184 18.208 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -7.457 0.602 19.311 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -8.392 -0.302 17.520 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -8.751 0.961 19.277 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -9.365 0.426 18.210 1.00 0.00 N ATOM 0 HA HIS B 27 -6.493 -2.104 16.214 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.312 -0.963 18.780 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -5.333 -0.201 17.201 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -6.778 0.865 20.025 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -8.543 -0.859 16.607 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -9.232 1.594 20.008 1.00 0.00 H new ATOM 1864 N THR B 28 -4.620 -4.236 17.199 1.00 0.00 N ATOM 1865 CA THR B 28 -3.415 -5.027 16.976 1.00 0.00 C ATOM 1866 C THR B 28 -3.787 -6.403 16.409 1.00 0.00 C ATOM 1867 O THR B 28 -4.942 -6.815 16.511 1.00 0.00 O ATOM 1868 CB THR B 28 -2.639 -5.174 18.294 1.00 0.00 C ATOM 1869 OG1 THR B 28 -3.390 -5.933 19.216 1.00 0.00 O ATOM 1870 CG2 THR B 28 -2.272 -3.840 18.950 1.00 0.00 C ATOM 0 H THR B 28 -5.403 -4.787 17.551 1.00 0.00 H new ATOM 0 HA THR B 28 -2.778 -4.518 16.252 1.00 0.00 H new ATOM 0 HB THR B 28 -1.707 -5.675 18.032 1.00 0.00 H new ATOM 0 HG1 THR B 28 -2.887 -6.023 20.052 1.00 0.00 H new ATOM 0 HG21 THR B 28 -1.726 -4.027 19.875 1.00 0.00 H new ATOM 0 HG22 THR B 28 -1.647 -3.260 18.271 1.00 0.00 H new ATOM 0 HG23 THR B 28 -3.181 -3.281 19.172 1.00 0.00 H new ATOM 1878 N LEU B 29 -2.827 -7.113 15.808 1.00 0.00 N ATOM 1879 CA LEU B 29 -2.986 -8.499 15.364 1.00 0.00 C ATOM 1880 C LEU B 29 -1.598 -9.120 15.166 1.00 0.00 C ATOM 1881 O LEU B 29 -0.617 -8.425 15.402 1.00 0.00 O ATOM 1882 CB LEU B 29 -3.885 -8.579 14.120 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.614 -7.549 13.012 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -2.176 -7.600 12.497 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.560 -7.793 11.834 1.00 0.00 C ATOM 0 H LEU B 29 -1.901 -6.732 15.613 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.500 -9.086 16.125 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.786 -9.576 13.691 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.921 -8.471 14.440 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.781 -6.566 13.452 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.042 -6.851 11.716 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.488 -7.396 13.318 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.970 -8.590 12.089 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -4.363 -7.060 11.052 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -4.399 -8.796 11.440 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.592 -7.697 12.170 1.00 0.00 H new ATOM 1897 N SER B 30 -1.475 -10.392 14.763 1.00 0.00 N ATOM 1898 CA SER B 30 -0.172 -11.041 14.593 1.00 0.00 C ATOM 1899 C SER B 30 -0.111 -11.899 13.320 1.00 0.00 C ATOM 1900 O SER B 30 -0.984 -11.828 12.454 1.00 0.00 O ATOM 1901 CB SER B 30 0.173 -11.859 15.851 1.00 0.00 C ATOM 1902 OG SER B 30 1.546 -12.219 15.860 1.00 0.00 O ATOM 0 H SER B 30 -2.270 -10.994 14.548 1.00 0.00 H new ATOM 0 HA SER B 30 0.580 -10.263 14.467 1.00 0.00 H new ATOM 0 HB2 SER B 30 -0.061 -11.278 16.743 1.00 0.00 H new ATOM 0 HB3 SER B 30 -0.443 -12.758 15.886 1.00 0.00 H new ATOM 0 HG SER B 30 2.048 -11.609 15.280 1.00 0.00 H new ATOM 1908 N LYS B 31 0.947 -12.712 13.229 1.00 0.00 N ATOM 1909 CA LYS B 31 1.355 -13.470 12.052 1.00 0.00 C ATOM 1910 C LYS B 31 0.192 -14.187 11.373 1.00 0.00 C ATOM 1911 O LYS B 31 -0.001 -14.051 10.167 1.00 0.00 O ATOM 1912 CB LYS B 31 2.510 -14.436 12.373 1.00 0.00 C ATOM 1913 CG LYS B 31 2.431 -15.150 13.729 1.00 0.00 C ATOM 1914 CD LYS B 31 3.506 -16.246 13.769 1.00 0.00 C ATOM 1915 CE LYS B 31 3.643 -16.874 15.159 1.00 0.00 C ATOM 1916 NZ LYS B 31 2.383 -17.472 15.635 1.00 0.00 N ATOM 0 H LYS B 31 1.572 -12.864 14.020 1.00 0.00 H new ATOM 0 HA LYS B 31 1.724 -12.740 11.331 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.554 -15.192 11.589 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.446 -13.879 12.332 1.00 0.00 H new ATOM 0 HG2 LYS B 31 2.585 -14.439 14.541 1.00 0.00 H new ATOM 0 HG3 LYS B 31 1.442 -15.585 13.870 1.00 0.00 H new ATOM 0 HD2 LYS B 31 3.258 -17.022 13.045 1.00 0.00 H new ATOM 0 HD3 LYS B 31 4.464 -15.823 13.467 1.00 0.00 H new ATOM 0 HE2 LYS B 31 4.418 -17.640 15.133 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.971 -16.113 15.867 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.552 -17.971 16.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.677 -16.723 15.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.029 -18.145 14.926 1.00 0.00 H new ATOM 1930 N LYS B 32 -0.589 -14.949 12.141 1.00 0.00 N ATOM 1931 CA LYS B 32 -1.729 -15.682 11.626 1.00 0.00 C ATOM 1932 C LYS B 32 -2.664 -14.743 10.862 1.00 0.00 C ATOM 1933 O LYS B 32 -3.042 -15.025 9.726 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.424 -16.355 12.812 1.00 0.00 C ATOM 1935 CG LYS B 32 -3.571 -17.269 12.371 1.00 0.00 C ATOM 1936 CD LYS B 32 -4.073 -18.097 13.559 1.00 0.00 C ATOM 1937 CE LYS B 32 -4.833 -17.247 14.584 1.00 0.00 C ATOM 1938 NZ LYS B 32 -5.427 -18.083 15.640 1.00 0.00 N ATOM 0 H LYS B 32 -0.441 -15.070 13.143 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.415 -16.447 10.916 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.695 -16.937 13.375 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.810 -15.590 13.486 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.387 -16.671 11.964 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.233 -17.931 11.574 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.725 -18.891 13.195 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.225 -18.578 14.047 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.154 -16.521 15.031 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -5.618 -16.682 14.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -5.934 -17.478 16.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.092 -18.759 15.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -4.675 -18.603 16.136 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.019 -13.616 11.478 1.00 0.00 N ATOM 1953 CA GLU B 33 -3.919 -12.654 10.871 1.00 0.00 C ATOM 1954 C GLU B 33 -3.254 -11.987 9.669 1.00 0.00 C ATOM 1955 O GLU B 33 -3.930 -11.711 8.689 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.369 -11.594 11.877 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.204 -12.153 13.041 1.00 0.00 C ATOM 1958 CD GLU B 33 -4.383 -12.963 14.038 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -3.303 -12.463 14.422 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -4.836 -14.076 14.378 1.00 0.00 O ATOM 0 H GLU B 33 -2.690 -13.351 12.406 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.803 -13.196 10.535 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.489 -11.094 12.282 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -4.953 -10.837 11.355 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -5.685 -11.326 13.564 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -5.999 -12.782 12.640 1.00 0.00 H new ATOM 1967 N LEU B 34 -1.949 -11.708 9.725 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.241 -11.126 8.586 1.00 0.00 C ATOM 1969 C LEU B 34 -1.261 -12.078 7.384 1.00 0.00 C ATOM 1970 O LEU B 34 -1.557 -11.658 6.264 1.00 0.00 O ATOM 1971 CB LEU B 34 0.186 -10.738 8.981 1.00 0.00 C ATOM 1972 CG LEU B 34 0.207 -9.559 9.968 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.564 -9.514 10.668 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.041 -8.214 9.272 1.00 0.00 C ATOM 0 H LEU B 34 -1.365 -11.876 10.544 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.759 -10.215 8.285 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.685 -11.597 9.431 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.751 -10.473 8.087 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.597 -9.716 10.687 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.584 -8.680 11.369 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.725 -10.446 11.209 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.352 -9.384 9.926 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -0.017 -7.412 10.010 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.734 -8.043 8.525 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -1.017 -8.230 8.786 1.00 0.00 H new ATOM 1986 N LYS B 35 -0.975 -13.364 7.609 1.00 0.00 N ATOM 1987 CA LYS B 35 -1.105 -14.388 6.580 1.00 0.00 C ATOM 1988 C LYS B 35 -2.543 -14.414 6.051 1.00 0.00 C ATOM 1989 O LYS B 35 -2.762 -14.358 4.843 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.691 -15.759 7.127 1.00 0.00 C ATOM 1991 CG LYS B 35 0.821 -15.857 7.368 1.00 0.00 C ATOM 1992 CD LYS B 35 1.134 -17.227 7.978 1.00 0.00 C ATOM 1993 CE LYS B 35 2.635 -17.386 8.232 1.00 0.00 C ATOM 1994 NZ LYS B 35 2.934 -18.724 8.772 1.00 0.00 N ATOM 0 H LYS B 35 -0.648 -13.719 8.508 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.437 -14.147 5.753 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -1.219 -15.949 8.062 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -0.996 -16.535 6.425 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.362 -15.728 6.431 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.149 -15.062 8.037 1.00 0.00 H new ATOM 0 HD2 LYS B 35 0.589 -17.345 8.915 1.00 0.00 H new ATOM 0 HD3 LYS B 35 0.790 -18.014 7.308 1.00 0.00 H new ATOM 0 HE2 LYS B 35 3.184 -17.232 7.303 1.00 0.00 H new ATOM 0 HE3 LYS B 35 2.973 -16.622 8.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 3.836 -19.062 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 3.003 -18.673 9.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 2.174 -19.383 8.508 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.522 -14.488 6.958 1.00 0.00 N ATOM 2009 CA GLU B 36 -4.944 -14.486 6.628 1.00 0.00 C ATOM 2010 C GLU B 36 -5.284 -13.302 5.708 1.00 0.00 C ATOM 2011 O GLU B 36 -5.857 -13.478 4.630 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.738 -14.447 7.943 1.00 0.00 C ATOM 2013 CG GLU B 36 -7.190 -14.892 7.777 1.00 0.00 C ATOM 2014 CD GLU B 36 -7.986 -14.818 9.080 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -7.414 -14.352 10.090 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -9.165 -15.229 9.034 1.00 0.00 O ATOM 0 H GLU B 36 -3.341 -14.552 7.960 1.00 0.00 H new ATOM 0 HA GLU B 36 -5.212 -15.388 6.079 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.249 -15.089 8.676 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -5.718 -13.433 8.343 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -7.673 -14.267 7.026 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -7.211 -15.915 7.402 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.902 -12.100 6.146 1.00 0.00 N ATOM 2024 CA LEU B 37 -5.057 -10.846 5.431 1.00 0.00 C ATOM 2025 C LEU B 37 -4.475 -10.975 4.031 1.00 0.00 C ATOM 2026 O LEU B 37 -5.217 -10.867 3.063 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.365 -9.698 6.185 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.244 -9.055 7.265 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.370 -8.286 8.260 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -6.219 -8.064 6.621 1.00 0.00 C ATOM 0 H LEU B 37 -4.455 -11.977 7.054 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.120 -10.617 5.360 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.453 -10.076 6.648 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -4.065 -8.933 5.469 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.793 -9.844 7.779 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.001 -7.832 9.024 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.666 -8.972 8.731 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.820 -7.506 7.734 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.840 -7.611 7.393 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.658 -7.286 6.104 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.853 -8.589 5.907 1.00 0.00 H new ATOM 2042 N ILE B 38 -3.159 -11.174 3.906 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.540 -11.152 2.587 1.00 0.00 C ATOM 2044 C ILE B 38 -3.168 -12.233 1.696 1.00 0.00 C ATOM 2045 O ILE B 38 -3.560 -11.941 0.570 1.00 0.00 O ATOM 2046 CB ILE B 38 -0.999 -11.176 2.681 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -0.358 -10.710 1.362 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.452 -12.544 3.093 1.00 0.00 C ATOM 2049 CD1 ILE B 38 1.164 -10.546 1.460 1.00 0.00 C ATOM 0 H ILE B 38 -2.520 -11.347 4.682 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.752 -10.205 2.090 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.727 -10.475 3.470 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -0.590 -11.430 0.577 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.802 -9.760 1.065 1.00 0.00 H new ATOM 0 HG21 ILE B 38 0.636 -12.501 3.143 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -0.849 -12.815 4.071 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.752 -13.292 2.359 1.00 0.00 H new ATOM 0 HD11 ILE B 38 1.557 -10.216 0.498 1.00 0.00 H new ATOM 0 HD12 ILE B 38 1.402 -9.805 2.223 1.00 0.00 H new ATOM 0 HD13 ILE B 38 1.616 -11.501 1.728 1.00 0.00 H new ATOM 2061 N GLN B 39 -3.341 -13.452 2.221 1.00 0.00 N ATOM 2062 CA GLN B 39 -3.963 -14.559 1.506 1.00 0.00 C ATOM 2063 C GLN B 39 -5.312 -14.153 0.904 1.00 0.00 C ATOM 2064 O GLN B 39 -5.516 -14.283 -0.300 1.00 0.00 O ATOM 2065 CB GLN B 39 -4.118 -15.753 2.461 1.00 0.00 C ATOM 2066 CG GLN B 39 -4.755 -16.979 1.795 1.00 0.00 C ATOM 2067 CD GLN B 39 -5.049 -18.065 2.824 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -6.205 -18.333 3.138 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -4.011 -18.690 3.370 1.00 0.00 N ATOM 0 H GLN B 39 -3.047 -13.694 3.167 1.00 0.00 H new ATOM 0 HA GLN B 39 -3.321 -14.846 0.673 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -3.138 -16.028 2.852 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -4.728 -15.452 3.313 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -5.678 -16.687 1.294 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -4.086 -17.370 1.028 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -3.062 -18.445 3.088 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -4.163 -19.415 4.071 1.00 0.00 H new ATOM 2078 N LYS B 40 -6.256 -13.724 1.745 1.00 0.00 N ATOM 2079 CA LYS B 40 -7.614 -13.455 1.286 1.00 0.00 C ATOM 2080 C LYS B 40 -7.688 -12.113 0.574 1.00 0.00 C ATOM 2081 O LYS B 40 -8.204 -12.005 -0.535 1.00 0.00 O ATOM 2082 CB LYS B 40 -8.582 -13.488 2.466 1.00 0.00 C ATOM 2083 CG LYS B 40 -8.813 -14.954 2.827 1.00 0.00 C ATOM 2084 CD LYS B 40 -9.432 -15.075 4.219 1.00 0.00 C ATOM 2085 CE LYS B 40 -8.602 -16.069 5.023 1.00 0.00 C ATOM 2086 NZ LYS B 40 -8.663 -17.435 4.472 1.00 0.00 N ATOM 0 H LYS B 40 -6.104 -13.557 2.740 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.899 -14.231 0.575 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -8.170 -12.944 3.316 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -9.523 -13.004 2.204 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -9.470 -15.416 2.090 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.867 -15.495 2.796 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -9.447 -14.104 4.714 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -10.466 -15.413 4.148 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -7.564 -15.736 5.045 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.955 -16.081 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -8.840 -18.112 5.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -9.432 -17.494 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -7.759 -17.664 4.011 1.00 0.00 H new ATOM 2100 N GLU B 41 -7.218 -11.074 1.257 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.405 -9.700 0.829 1.00 0.00 C ATOM 2102 C GLU B 41 -6.467 -9.298 -0.311 1.00 0.00 C ATOM 2103 O GLU B 41 -6.781 -8.342 -1.012 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.302 -8.739 2.022 1.00 0.00 C ATOM 2105 CG GLU B 41 -8.249 -9.097 3.179 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.721 -9.119 2.777 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -10.110 -8.261 1.956 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -10.439 -9.985 3.325 1.00 0.00 O ATOM 0 H GLU B 41 -6.694 -11.167 2.127 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.413 -9.628 0.422 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.276 -8.737 2.390 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.521 -7.726 1.683 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.974 -10.075 3.574 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.112 -8.377 3.986 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.336 -9.980 -0.526 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.513 -9.778 -1.716 1.00 0.00 C ATOM 2117 C LEU B 42 -4.540 -11.050 -2.559 1.00 0.00 C ATOM 2118 O LEU B 42 -3.667 -11.906 -2.453 1.00 0.00 O ATOM 2119 CB LEU B 42 -3.092 -9.324 -1.339 1.00 0.00 C ATOM 2120 CG LEU B 42 -3.032 -7.799 -1.148 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.829 -7.428 -0.278 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -2.898 -7.077 -2.493 1.00 0.00 C ATOM 0 H LEU B 42 -4.970 -10.682 0.117 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.922 -8.970 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.779 -9.821 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.392 -9.624 -2.119 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.960 -7.490 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.794 -6.346 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.923 -7.908 0.696 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.912 -7.765 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.858 -6.001 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -1.984 -7.401 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.757 -7.315 -3.121 1.00 0.00 H new ATOM 2243 N ASP B 50 8.973 -11.233 -5.900 1.00 0.00 N ATOM 2244 CA ASP B 50 9.418 -11.772 -4.617 1.00 0.00 C ATOM 2245 C ASP B 50 8.701 -11.175 -3.405 1.00 0.00 C ATOM 2246 O ASP B 50 8.388 -11.908 -2.472 1.00 0.00 O ATOM 2247 CB ASP B 50 10.930 -11.582 -4.451 1.00 0.00 C ATOM 2248 CG ASP B 50 11.734 -12.200 -5.592 1.00 0.00 C ATOM 2249 OD1 ASP B 50 11.584 -11.692 -6.725 1.00 0.00 O ATOM 2250 OD2 ASP B 50 12.470 -13.170 -5.312 1.00 0.00 O ATOM 0 HA ASP B 50 9.163 -12.831 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP B 50 11.153 -10.517 -4.391 1.00 0.00 H new ATOM 0 HB3 ASP B 50 11.246 -12.027 -3.508 1.00 0.00 H new ATOM 2255 N ALA B 51 8.459 -9.863 -3.409 1.00 0.00 N ATOM 2256 CA ALA B 51 7.807 -9.106 -2.346 1.00 0.00 C ATOM 2257 C ALA B 51 6.794 -9.908 -1.526 1.00 0.00 C ATOM 2258 O ALA B 51 6.904 -9.973 -0.305 1.00 0.00 O ATOM 2259 CB ALA B 51 7.097 -7.915 -2.979 1.00 0.00 C ATOM 0 H ALA B 51 8.727 -9.272 -4.196 1.00 0.00 H new ATOM 0 HA ALA B 51 8.588 -8.806 -1.648 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.601 -7.332 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.826 -7.288 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA B 51 6.356 -8.271 -3.694 1.00 0.00 H new ATOM 2265 N GLU B 52 5.795 -10.500 -2.187 1.00 0.00 N ATOM 2266 CA GLU B 52 4.716 -11.220 -1.520 1.00 0.00 C ATOM 2267 C GLU B 52 5.256 -12.444 -0.772 1.00 0.00 C ATOM 2268 O GLU B 52 4.890 -12.705 0.375 1.00 0.00 O ATOM 2269 CB GLU B 52 3.664 -11.591 -2.571 1.00 0.00 C ATOM 2270 CG GLU B 52 2.397 -12.198 -1.952 1.00 0.00 C ATOM 2271 CD GLU B 52 1.400 -12.625 -3.023 1.00 0.00 C ATOM 2272 OE1 GLU B 52 1.427 -12.000 -4.106 1.00 0.00 O ATOM 2273 OE2 GLU B 52 0.653 -13.588 -2.746 1.00 0.00 O ATOM 0 H GLU B 52 5.715 -10.491 -3.204 1.00 0.00 H new ATOM 0 HA GLU B 52 4.248 -10.589 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU B 52 3.395 -10.701 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU B 52 4.095 -12.302 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.666 -13.059 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.930 -11.470 -1.289 1.00 0.00 H new ATOM 2280 N ILE B 53 6.140 -13.189 -1.436 1.00 0.00 N ATOM 2281 CA ILE B 53 6.761 -14.381 -0.891 1.00 0.00 C ATOM 2282 C ILE B 53 7.548 -13.944 0.348 1.00 0.00 C ATOM 2283 O ILE B 53 7.382 -14.482 1.442 1.00 0.00 O ATOM 2284 CB ILE B 53 7.689 -15.038 -1.938 1.00 0.00 C ATOM 2285 CG1 ILE B 53 7.003 -15.430 -3.262 1.00 0.00 C ATOM 2286 CG2 ILE B 53 8.306 -16.314 -1.343 1.00 0.00 C ATOM 2287 CD1 ILE B 53 6.452 -14.286 -4.120 1.00 0.00 C ATOM 0 H ILE B 53 6.445 -12.971 -2.384 1.00 0.00 H new ATOM 0 HA ILE B 53 6.012 -15.126 -0.624 1.00 0.00 H new ATOM 0 HB ILE B 53 8.432 -14.277 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE B 53 7.719 -15.991 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE B 53 6.181 -16.108 -3.031 1.00 0.00 H new ATOM 0 HG21 ILE B 53 8.961 -16.779 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.883 -16.059 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE B 53 7.512 -17.010 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE B 53 5.996 -14.695 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.703 -13.734 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE B 53 7.265 -13.615 -4.397 1.00 0.00 H new ATOM 2299 N VAL B 54 8.399 -12.935 0.160 1.00 0.00 N ATOM 2300 CA VAL B 54 9.245 -12.377 1.197 1.00 0.00 C ATOM 2301 C VAL B 54 8.397 -11.917 2.379 1.00 0.00 C ATOM 2302 O VAL B 54 8.752 -12.221 3.510 1.00 0.00 O ATOM 2303 CB VAL B 54 10.135 -11.271 0.607 1.00 0.00 C ATOM 2304 CG1 VAL B 54 10.928 -10.530 1.691 1.00 0.00 C ATOM 2305 CG2 VAL B 54 11.126 -11.907 -0.377 1.00 0.00 C ATOM 0 H VAL B 54 8.517 -12.476 -0.744 1.00 0.00 H new ATOM 0 HA VAL B 54 9.918 -13.141 1.586 1.00 0.00 H new ATOM 0 HB VAL B 54 9.488 -10.549 0.109 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.543 -9.758 1.228 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.237 -10.069 2.397 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.569 -11.236 2.219 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.764 -11.132 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.743 -12.637 0.148 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.577 -12.405 -1.176 1.00 0.00 H new ATOM 2315 N LYS B 55 7.277 -11.229 2.148 1.00 0.00 N ATOM 2316 CA LYS B 55 6.333 -10.880 3.205 1.00 0.00 C ATOM 2317 C LYS B 55 5.908 -12.126 3.974 1.00 0.00 C ATOM 2318 O LYS B 55 6.051 -12.171 5.196 1.00 0.00 O ATOM 2319 CB LYS B 55 5.119 -10.132 2.629 1.00 0.00 C ATOM 2320 CG LYS B 55 5.022 -8.676 3.100 1.00 0.00 C ATOM 2321 CD LYS B 55 6.097 -7.735 2.532 1.00 0.00 C ATOM 2322 CE LYS B 55 7.485 -7.788 3.186 1.00 0.00 C ATOM 2323 NZ LYS B 55 7.420 -7.637 4.653 1.00 0.00 N ATOM 0 H LYS B 55 7.001 -10.900 1.223 1.00 0.00 H new ATOM 0 HA LYS B 55 6.830 -10.208 3.905 1.00 0.00 H new ATOM 0 HB2 LYS B 55 5.173 -10.151 1.540 1.00 0.00 H new ATOM 0 HB3 LYS B 55 4.208 -10.659 2.913 1.00 0.00 H new ATOM 0 HG2 LYS B 55 4.041 -8.287 2.829 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.083 -8.657 4.188 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.214 -7.955 1.471 1.00 0.00 H new ATOM 0 HD3 LYS B 55 5.726 -6.713 2.606 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.963 -8.737 2.942 1.00 0.00 H new ATOM 0 HE3 LYS B 55 8.111 -6.999 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 8.185 -7.009 4.972 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 6.502 -7.227 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.527 -8.569 5.103 1.00 0.00 H new ATOM 2337 N LEU B 56 5.394 -13.137 3.267 1.00 0.00 N ATOM 2338 CA LEU B 56 4.959 -14.374 3.900 1.00 0.00 C ATOM 2339 C LEU B 56 6.071 -14.987 4.761 1.00 0.00 C ATOM 2340 O LEU B 56 5.790 -15.442 5.868 1.00 0.00 O ATOM 2341 CB LEU B 56 4.435 -15.366 2.850 1.00 0.00 C ATOM 2342 CG LEU B 56 3.085 -14.942 2.245 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.847 -15.701 0.936 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.929 -15.236 3.211 1.00 0.00 C ATOM 0 H LEU B 56 5.271 -13.118 2.255 1.00 0.00 H new ATOM 0 HA LEU B 56 4.134 -14.138 4.573 1.00 0.00 H new ATOM 0 HB2 LEU B 56 5.170 -15.464 2.051 1.00 0.00 H new ATOM 0 HB3 LEU B 56 4.329 -16.349 3.308 1.00 0.00 H new ATOM 0 HG LEU B 56 3.120 -13.869 2.058 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.890 -15.399 0.509 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.647 -15.472 0.232 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.834 -16.773 1.134 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.988 -14.926 2.757 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.895 -16.305 3.423 1.00 0.00 H new ATOM 0 HD23 LEU B 56 2.082 -14.686 4.140 1.00 0.00 H new ATOM 2356 N MET B 57 7.321 -15.009 4.280 1.00 0.00 N ATOM 2357 CA MET B 57 8.423 -15.547 5.077 1.00 0.00 C ATOM 2358 C MET B 57 8.699 -14.624 6.276 1.00 0.00 C ATOM 2359 O MET B 57 8.584 -15.018 7.438 1.00 0.00 O ATOM 2360 CB MET B 57 9.702 -15.718 4.239 1.00 0.00 C ATOM 2361 CG MET B 57 9.609 -16.556 2.953 1.00 0.00 C ATOM 2362 SD MET B 57 8.822 -18.190 2.996 1.00 0.00 S ATOM 2363 CE MET B 57 7.117 -17.780 2.553 1.00 0.00 C ATOM 0 H MET B 57 7.589 -14.666 3.358 1.00 0.00 H new ATOM 0 HA MET B 57 8.127 -16.533 5.434 1.00 0.00 H new ATOM 0 HB2 MET B 57 10.059 -14.725 3.967 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.463 -16.167 4.877 1.00 0.00 H new ATOM 0 HG2 MET B 57 9.077 -15.958 2.213 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.624 -16.694 2.581 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.635 -18.653 2.113 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.572 -17.477 3.447 1.00 0.00 H new ATOM 0 HE3 MET B 57 7.115 -16.963 1.832 1.00 0.00 H new ATOM 2373 N ASP B 58 9.076 -13.379 5.964 1.00 0.00 N ATOM 2374 CA ASP B 58 9.450 -12.317 6.888 1.00 0.00 C ATOM 2375 C ASP B 58 8.493 -12.251 8.065 1.00 0.00 C ATOM 2376 O ASP B 58 8.935 -12.115 9.199 1.00 0.00 O ATOM 2377 CB ASP B 58 9.465 -10.970 6.154 1.00 0.00 C ATOM 2378 CG ASP B 58 9.682 -9.804 7.113 1.00 0.00 C ATOM 2379 OD1 ASP B 58 10.791 -9.737 7.686 1.00 0.00 O ATOM 2380 OD2 ASP B 58 8.732 -9.003 7.256 1.00 0.00 O ATOM 0 H ASP B 58 9.130 -13.072 4.993 1.00 0.00 H new ATOM 0 HA ASP B 58 10.447 -12.536 7.272 1.00 0.00 H new ATOM 0 HB2 ASP B 58 10.255 -10.974 5.403 1.00 0.00 H new ATOM 0 HB3 ASP B 58 8.522 -10.834 5.624 1.00 0.00 H new ATOM 2385 N ASP B 59 7.192 -12.359 7.789 1.00 0.00 N ATOM 2386 CA ASP B 59 6.130 -12.356 8.781 1.00 0.00 C ATOM 2387 C ASP B 59 6.509 -13.134 10.045 1.00 0.00 C ATOM 2388 O ASP B 59 6.346 -12.615 11.148 1.00 0.00 O ATOM 2389 CB ASP B 59 4.884 -12.977 8.145 1.00 0.00 C ATOM 2390 CG ASP B 59 3.686 -12.915 9.073 1.00 0.00 C ATOM 2391 OD1 ASP B 59 3.284 -11.778 9.396 1.00 0.00 O ATOM 2392 OD2 ASP B 59 3.197 -14.004 9.440 1.00 0.00 O ATOM 0 H ASP B 59 6.843 -12.454 6.835 1.00 0.00 H new ATOM 0 HA ASP B 59 5.945 -11.327 9.088 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.652 -12.455 7.217 1.00 0.00 H new ATOM 0 HB3 ASP B 59 5.088 -14.016 7.885 1.00 0.00 H new ATOM 2397 N LEU B 60 7.019 -14.362 9.904 1.00 0.00 N ATOM 2398 CA LEU B 60 7.355 -15.180 11.064 1.00 0.00 C ATOM 2399 C LEU B 60 8.407 -14.466 11.918 1.00 0.00 C ATOM 2400 O LEU B 60 8.191 -14.224 13.107 1.00 0.00 O ATOM 2401 CB LEU B 60 7.862 -16.569 10.636 1.00 0.00 C ATOM 2402 CG LEU B 60 6.807 -17.549 10.090 1.00 0.00 C ATOM 2403 CD1 LEU B 60 5.628 -17.735 11.052 1.00 0.00 C ATOM 2404 CD2 LEU B 60 6.302 -17.182 8.690 1.00 0.00 C ATOM 0 H LEU B 60 7.205 -14.805 9.004 1.00 0.00 H new ATOM 0 HA LEU B 60 6.452 -15.323 11.657 1.00 0.00 H new ATOM 0 HB2 LEU B 60 8.628 -16.432 9.872 1.00 0.00 H new ATOM 0 HB3 LEU B 60 8.347 -17.034 11.494 1.00 0.00 H new ATOM 0 HG LEU B 60 7.329 -18.502 10.003 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.913 -18.435 10.620 1.00 0.00 H new ATOM 0 HD12 LEU B 60 5.992 -18.127 12.002 1.00 0.00 H new ATOM 0 HD13 LEU B 60 5.140 -16.775 11.219 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.562 -17.914 8.367 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.847 -16.192 8.715 1.00 0.00 H new ATOM 0 HD23 LEU B 60 7.138 -17.179 7.991 1.00 0.00 H new ATOM 2416 N ASP B 61 9.539 -14.127 11.295 1.00 0.00 N ATOM 2417 CA ASP B 61 10.674 -13.482 11.946 1.00 0.00 C ATOM 2418 C ASP B 61 10.292 -12.114 12.511 1.00 0.00 C ATOM 2419 O ASP B 61 10.796 -11.707 13.554 1.00 0.00 O ATOM 2420 CB ASP B 61 11.825 -13.346 10.944 1.00 0.00 C ATOM 2421 CG ASP B 61 13.032 -12.667 11.583 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.692 -13.342 12.402 1.00 0.00 O ATOM 2423 OD2 ASP B 61 13.272 -11.489 11.241 1.00 0.00 O ATOM 0 H ASP B 61 9.692 -14.299 10.301 1.00 0.00 H new ATOM 0 HA ASP B 61 10.991 -14.103 12.784 1.00 0.00 H new ATOM 0 HB2 ASP B 61 12.110 -14.332 10.577 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.494 -12.769 10.081 1.00 0.00 H new ATOM 2428 N ARG B 62 9.413 -11.398 11.813 1.00 0.00 N ATOM 2429 CA ARG B 62 8.932 -10.094 12.221 1.00 0.00 C ATOM 2430 C ARG B 62 8.087 -10.232 13.488 1.00 0.00 C ATOM 2431 O ARG B 62 8.305 -9.524 14.468 1.00 0.00 O ATOM 2432 CB ARG B 62 8.145 -9.454 11.065 1.00 0.00 C ATOM 2433 CG ARG B 62 7.789 -8.006 11.412 1.00 0.00 C ATOM 2434 CD ARG B 62 7.150 -7.233 10.252 1.00 0.00 C ATOM 2435 NE ARG B 62 5.687 -7.384 10.248 1.00 0.00 N ATOM 2436 CZ ARG B 62 4.822 -6.400 9.948 1.00 0.00 C ATOM 2437 NH1 ARG B 62 5.241 -5.254 9.403 1.00 0.00 N ATOM 2438 NH2 ARG B 62 3.521 -6.552 10.204 1.00 0.00 N ATOM 0 H ARG B 62 9.012 -11.720 10.932 1.00 0.00 H new ATOM 0 HA ARG B 62 9.770 -9.437 12.455 1.00 0.00 H new ATOM 0 HB2 ARG B 62 8.738 -9.482 10.151 1.00 0.00 H new ATOM 0 HB3 ARG B 62 7.236 -10.025 10.873 1.00 0.00 H new ATOM 0 HG2 ARG B 62 7.104 -8.003 12.260 1.00 0.00 H new ATOM 0 HG3 ARG B 62 8.692 -7.485 11.730 1.00 0.00 H new ATOM 0 HD2 ARG B 62 7.408 -6.177 10.331 1.00 0.00 H new ATOM 0 HD3 ARG B 62 7.557 -7.591 9.306 1.00 0.00 H new ATOM 0 HE ARG B 62 5.303 -8.298 10.489 1.00 0.00 H new ATOM 0 HH11 ARG B 62 6.232 -5.115 9.208 1.00 0.00 H new ATOM 0 HH12 ARG B 62 4.569 -4.519 9.182 1.00 0.00 H new ATOM 0 HH21 ARG B 62 3.182 -7.416 10.628 1.00 0.00 H new ATOM 0 HH22 ARG B 62 2.866 -5.804 9.976 1.00 0.00 H new ATOM 2452 N ASN B 63 7.097 -11.127 13.455 1.00 0.00 N ATOM 2453 CA ASN B 63 6.120 -11.226 14.530 1.00 0.00 C ATOM 2454 C ASN B 63 6.720 -11.936 15.733 1.00 0.00 C ATOM 2455 O ASN B 63 6.700 -11.390 16.832 1.00 0.00 O ATOM 2456 CB ASN B 63 4.850 -11.953 14.075 1.00 0.00 C ATOM 2457 CG ASN B 63 3.966 -11.071 13.200 1.00 0.00 C ATOM 2458 OD1 ASN B 63 2.933 -10.584 13.643 1.00 0.00 O ATOM 2459 ND2 ASN B 63 4.344 -10.883 11.943 1.00 0.00 N ATOM 0 H ASN B 63 6.955 -11.791 12.694 1.00 0.00 H new ATOM 0 HA ASN B 63 5.844 -10.210 14.814 1.00 0.00 H new ATOM 0 HB2 ASN B 63 5.125 -12.851 13.522 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.286 -12.277 14.949 1.00 0.00 H new ATOM 0 HD21 ASN B 63 3.769 -10.320 11.316 1.00 0.00 H new ATOM 0 HD22 ASN B 63 5.210 -11.301 11.603 1.00 0.00 H new ATOM 2517 N GLU B 67 2.094 -9.181 18.871 1.00 0.00 N ATOM 2518 CA GLU B 67 0.998 -8.493 18.217 1.00 0.00 C ATOM 2519 C GLU B 67 1.526 -7.186 17.616 1.00 0.00 C ATOM 2520 O GLU B 67 1.936 -6.293 18.355 1.00 0.00 O ATOM 2521 CB GLU B 67 -0.140 -8.237 19.215 1.00 0.00 C ATOM 2522 CG GLU B 67 -0.779 -9.520 19.777 1.00 0.00 C ATOM 2523 CD GLU B 67 0.086 -10.289 20.777 1.00 0.00 C ATOM 2524 OE1 GLU B 67 1.004 -9.666 21.355 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -0.201 -11.493 20.951 1.00 0.00 O ATOM 0 HA GLU B 67 0.592 -9.110 17.415 1.00 0.00 H new ATOM 0 HB2 GLU B 67 0.244 -7.641 20.043 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -0.912 -7.643 18.726 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -1.720 -9.257 20.260 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -1.021 -10.182 18.945 1.00 0.00 H new ATOM 2532 N VAL B 68 1.510 -7.063 16.289 1.00 0.00 N ATOM 2533 CA VAL B 68 1.849 -5.830 15.599 1.00 0.00 C ATOM 2534 C VAL B 68 0.648 -4.881 15.660 1.00 0.00 C ATOM 2535 O VAL B 68 -0.500 -5.329 15.736 1.00 0.00 O ATOM 2536 CB VAL B 68 2.290 -6.109 14.148 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.466 -7.090 14.086 1.00 0.00 C ATOM 2538 CG2 VAL B 68 1.169 -6.583 13.221 1.00 0.00 C ATOM 0 H VAL B 68 1.258 -7.827 15.662 1.00 0.00 H new ATOM 0 HA VAL B 68 2.696 -5.355 16.093 1.00 0.00 H new ATOM 0 HB VAL B 68 2.608 -5.136 13.775 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.745 -7.259 13.046 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.316 -6.674 14.626 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.175 -8.036 14.542 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.571 -6.754 12.222 1.00 0.00 H new ATOM 0 HG22 VAL B 68 0.746 -7.511 13.606 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.390 -5.822 13.173 1.00 0.00 H new ATOM 2548 N ASN B 69 0.916 -3.571 15.631 1.00 0.00 N ATOM 2549 CA ASN B 69 -0.108 -2.532 15.643 1.00 0.00 C ATOM 2550 C ASN B 69 -0.480 -2.107 14.223 1.00 0.00 C ATOM 2551 O ASN B 69 0.047 -2.641 13.248 1.00 0.00 O ATOM 2552 CB ASN B 69 0.363 -1.324 16.472 1.00 0.00 C ATOM 2553 CG ASN B 69 1.137 -0.287 15.650 1.00 0.00 C ATOM 2554 OD1 ASN B 69 1.939 -0.631 14.785 1.00 0.00 O ATOM 2555 ND2 ASN B 69 0.871 0.996 15.876 1.00 0.00 N ATOM 0 H ASN B 69 1.866 -3.202 15.598 1.00 0.00 H new ATOM 0 HA ASN B 69 -1.003 -2.943 16.110 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.504 -0.844 16.926 1.00 0.00 H new ATOM 0 HB3 ASN B 69 0.995 -1.676 17.287 1.00 0.00 H new ATOM 0 HD21 ASN B 69 1.336 1.718 15.326 1.00 0.00 H new ATOM 0 HD22 ASN B 69 0.201 1.258 16.599 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.351 -1.098 14.128 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.757 -0.487 12.873 1.00 0.00 C ATOM 2564 C PHE B 70 -0.567 -0.172 11.958 1.00 0.00 C ATOM 2565 O PHE B 70 -0.458 -0.771 10.894 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.616 0.753 13.144 1.00 0.00 C ATOM 2567 CG PHE B 70 -3.050 1.474 11.884 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -3.859 0.814 10.940 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.632 2.796 11.643 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.276 1.485 9.777 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.046 3.464 10.479 1.00 0.00 C ATOM 2572 CZ PHE B 70 -3.863 2.807 9.542 1.00 0.00 C ATOM 0 H PHE B 70 -1.799 -0.679 14.943 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.362 -1.214 12.331 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.501 0.456 13.707 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -2.055 1.444 13.773 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.160 -0.209 11.109 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -1.992 3.297 12.354 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -4.914 0.984 9.064 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -2.736 4.484 10.303 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.173 3.318 8.642 1.00 0.00 H new ATOM 2582 N GLN B 71 0.329 0.754 12.327 1.00 0.00 N ATOM 2583 CA GLN B 71 1.389 1.146 11.396 1.00 0.00 C ATOM 2584 C GLN B 71 2.287 -0.039 11.040 1.00 0.00 C ATOM 2585 O GLN B 71 2.746 -0.126 9.907 1.00 0.00 O ATOM 2586 CB GLN B 71 2.200 2.359 11.873 1.00 0.00 C ATOM 2587 CG GLN B 71 3.348 2.748 10.908 1.00 0.00 C ATOM 2588 CD GLN B 71 2.947 2.970 9.444 1.00 0.00 C ATOM 2589 OE1 GLN B 71 3.594 2.477 8.522 1.00 0.00 O ATOM 2590 NE2 GLN B 71 1.882 3.730 9.207 1.00 0.00 N ATOM 0 H GLN B 71 0.342 1.229 13.230 1.00 0.00 H new ATOM 0 HA GLN B 71 0.888 1.469 10.483 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.530 3.211 11.992 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.619 2.143 12.856 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.815 3.660 11.279 1.00 0.00 H new ATOM 0 HG3 GLN B 71 4.106 1.966 10.942 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.358 4.130 9.985 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.589 3.913 8.247 1.00 0.00 H new ATOM 2599 N GLU B 72 2.550 -0.962 11.965 1.00 0.00 N ATOM 2600 CA GLU B 72 3.320 -2.149 11.621 1.00 0.00 C ATOM 2601 C GLU B 72 2.572 -3.022 10.601 1.00 0.00 C ATOM 2602 O GLU B 72 3.175 -3.498 9.637 1.00 0.00 O ATOM 2603 CB GLU B 72 3.696 -2.912 12.890 1.00 0.00 C ATOM 2604 CG GLU B 72 4.750 -2.172 13.727 1.00 0.00 C ATOM 2605 CD GLU B 72 6.082 -2.009 12.994 1.00 0.00 C ATOM 2606 OE1 GLU B 72 6.499 -2.991 12.341 1.00 0.00 O ATOM 2607 OE2 GLU B 72 6.652 -0.903 13.092 1.00 0.00 O ATOM 0 H GLU B 72 2.247 -0.911 12.938 1.00 0.00 H new ATOM 0 HA GLU B 72 4.247 -1.845 11.135 1.00 0.00 H new ATOM 0 HB2 GLU B 72 2.802 -3.071 13.494 1.00 0.00 H new ATOM 0 HB3 GLU B 72 4.077 -3.897 12.619 1.00 0.00 H new ATOM 0 HG2 GLU B 72 4.367 -1.188 13.998 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.916 -2.716 14.657 1.00 0.00 H new ATOM 2614 N TYR B 73 1.261 -3.217 10.764 1.00 0.00 N ATOM 2615 CA TYR B 73 0.444 -3.850 9.732 1.00 0.00 C ATOM 2616 C TYR B 73 0.611 -3.097 8.407 1.00 0.00 C ATOM 2617 O TYR B 73 0.950 -3.699 7.388 1.00 0.00 O ATOM 2618 CB TYR B 73 -1.030 -3.936 10.166 1.00 0.00 C ATOM 2619 CG TYR B 73 -2.050 -3.721 9.057 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.355 -4.753 8.149 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.668 -2.465 8.910 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.311 -4.540 7.137 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.569 -2.235 7.860 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.935 -3.288 7.007 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.939 -3.112 6.102 1.00 0.00 O ATOM 0 H TYR B 73 0.745 -2.945 11.601 1.00 0.00 H new ATOM 0 HA TYR B 73 0.785 -4.875 9.585 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -1.204 -4.916 10.611 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -1.205 -3.196 10.946 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.856 -5.708 8.229 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.447 -1.673 9.610 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.565 -5.341 6.459 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -3.981 -1.248 7.708 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.528 -2.389 6.403 1.00 0.00 H new ATOM 2635 N ILE B 74 0.409 -1.776 8.425 1.00 0.00 N ATOM 2636 CA ILE B 74 0.575 -0.934 7.250 1.00 0.00 C ATOM 2637 C ILE B 74 1.963 -1.154 6.652 1.00 0.00 C ATOM 2638 O ILE B 74 2.090 -1.228 5.439 1.00 0.00 O ATOM 2639 CB ILE B 74 0.338 0.551 7.579 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -1.097 0.872 8.033 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.693 1.434 6.386 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -2.129 0.830 6.899 1.00 0.00 C ATOM 0 H ILE B 74 0.125 -1.265 9.261 1.00 0.00 H new ATOM 0 HA ILE B 74 -0.176 -1.217 6.512 1.00 0.00 H new ATOM 0 HB ILE B 74 0.995 0.765 8.422 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.391 0.162 8.806 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -1.111 1.862 8.488 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.518 2.479 6.642 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.743 1.295 6.130 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.072 1.160 5.533 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.116 1.067 7.296 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.861 1.560 6.136 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.145 -0.167 6.458 1.00 0.00 H new ATOM 2654 N THR B 75 3.001 -1.280 7.477 1.00 0.00 N ATOM 2655 CA THR B 75 4.363 -1.528 7.026 1.00 0.00 C ATOM 2656 C THR B 75 4.478 -2.878 6.322 1.00 0.00 C ATOM 2657 O THR B 75 5.298 -3.013 5.421 1.00 0.00 O ATOM 2658 CB THR B 75 5.356 -1.356 8.186 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.230 -0.054 8.723 1.00 0.00 O ATOM 2660 CG2 THR B 75 6.810 -1.522 7.737 1.00 0.00 C ATOM 0 H THR B 75 2.915 -1.211 8.491 1.00 0.00 H new ATOM 0 HA THR B 75 4.628 -0.781 6.277 1.00 0.00 H new ATOM 0 HB THR B 75 5.120 -2.126 8.921 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.371 0.026 9.188 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.472 -1.391 8.593 1.00 0.00 H new ATOM 0 HG22 THR B 75 6.950 -2.519 7.319 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.044 -0.774 6.979 1.00 0.00 H new ATOM 2668 N PHE B 76 3.646 -3.865 6.659 1.00 0.00 N ATOM 2669 CA PHE B 76 3.597 -5.104 5.892 1.00 0.00 C ATOM 2670 C PHE B 76 3.195 -4.781 4.446 1.00 0.00 C ATOM 2671 O PHE B 76 3.911 -5.103 3.497 1.00 0.00 O ATOM 2672 CB PHE B 76 2.634 -6.093 6.567 1.00 0.00 C ATOM 2673 CG PHE B 76 2.885 -7.552 6.245 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.003 -8.204 6.800 1.00 0.00 C ATOM 2675 CD2 PHE B 76 1.942 -8.290 5.503 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.190 -9.582 6.594 1.00 0.00 C ATOM 2677 CE2 PHE B 76 2.118 -9.674 5.322 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.247 -10.317 5.856 1.00 0.00 C ATOM 0 H PHE B 76 3.004 -3.829 7.451 1.00 0.00 H new ATOM 0 HA PHE B 76 4.577 -5.581 5.865 1.00 0.00 H new ATOM 0 HB2 PHE B 76 2.697 -5.959 7.647 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.615 -5.842 6.274 1.00 0.00 H new ATOM 0 HD1 PHE B 76 4.718 -7.644 7.385 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.084 -7.794 5.073 1.00 0.00 H new ATOM 0 HE1 PHE B 76 5.059 -10.076 7.003 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.384 -10.243 4.771 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.390 -11.376 5.699 1.00 0.00 H new ATOM 2688 N LEU B 77 2.062 -4.090 4.282 1.00 0.00 N ATOM 2689 CA LEU B 77 1.544 -3.702 2.971 1.00 0.00 C ATOM 2690 C LEU B 77 2.485 -2.724 2.256 1.00 0.00 C ATOM 2691 O LEU B 77 2.651 -2.779 1.041 1.00 0.00 O ATOM 2692 CB LEU B 77 0.153 -3.071 3.114 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.888 -3.957 3.818 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -2.229 -3.215 3.816 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -1.060 -5.316 3.126 1.00 0.00 C ATOM 0 H LEU B 77 1.478 -3.784 5.060 1.00 0.00 H new ATOM 0 HA LEU B 77 1.474 -4.606 2.366 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.248 -2.137 3.668 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -0.219 -2.817 2.121 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.542 -4.152 4.833 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.984 -3.826 4.311 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -2.122 -2.269 4.347 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.536 -3.021 2.788 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.805 -5.905 3.661 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.388 -5.162 2.098 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -0.109 -5.848 3.127 1.00 0.00 H new ATOM 2707 N GLY B 78 3.087 -1.809 3.006 1.00 0.00 N ATOM 2708 CA GLY B 78 3.955 -0.768 2.496 1.00 0.00 C ATOM 2709 C GLY B 78 5.267 -1.372 2.014 1.00 0.00 C ATOM 2710 O GLY B 78 5.729 -1.061 0.921 1.00 0.00 O ATOM 0 H GLY B 78 2.977 -1.775 4.019 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.464 -0.243 1.676 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.149 -0.031 3.275 1.00 0.00 H new ATOM 2714 N ALA B 79 5.850 -2.275 2.803 1.00 0.00 N ATOM 2715 CA ALA B 79 7.026 -3.029 2.406 1.00 0.00 C ATOM 2716 C ALA B 79 6.706 -3.885 1.180 1.00 0.00 C ATOM 2717 O ALA B 79 7.466 -3.889 0.217 1.00 0.00 O ATOM 2718 CB ALA B 79 7.517 -3.874 3.582 1.00 0.00 C ATOM 0 H ALA B 79 5.513 -2.501 3.739 1.00 0.00 H new ATOM 0 HA ALA B 79 7.829 -2.346 2.129 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.399 -4.439 3.281 1.00 0.00 H new ATOM 0 HB2 ALA B 79 7.771 -3.222 4.418 1.00 0.00 H new ATOM 0 HB3 ALA B 79 6.731 -4.565 3.887 1.00 0.00 H new ATOM 2724 N LEU B 80 5.570 -4.590 1.191 1.00 0.00 N ATOM 2725 CA LEU B 80 5.106 -5.361 0.040 1.00 0.00 C ATOM 2726 C LEU B 80 5.100 -4.477 -1.211 1.00 0.00 C ATOM 2727 O LEU B 80 5.764 -4.775 -2.208 1.00 0.00 O ATOM 2728 CB LEU B 80 3.706 -5.911 0.351 1.00 0.00 C ATOM 2729 CG LEU B 80 3.063 -6.681 -0.806 1.00 0.00 C ATOM 2730 CD1 LEU B 80 3.722 -8.045 -0.965 1.00 0.00 C ATOM 2731 CD2 LEU B 80 1.574 -6.882 -0.523 1.00 0.00 C ATOM 0 H LEU B 80 4.949 -4.640 1.999 1.00 0.00 H new ATOM 0 HA LEU B 80 5.776 -6.198 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.770 -6.568 1.218 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.055 -5.081 0.627 1.00 0.00 H new ATOM 0 HG LEU B 80 3.196 -6.106 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU B 80 3.255 -8.581 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU B 80 4.784 -7.914 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU B 80 3.600 -8.618 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU B 80 1.118 -7.430 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU B 80 1.452 -7.448 0.401 1.00 0.00 H new ATOM 0 HD23 LEU B 80 1.089 -5.911 -0.420 1.00 0.00 H new ATOM 2743 N ALA B 81 4.348 -3.376 -1.126 1.00 0.00 N ATOM 2744 CA ALA B 81 4.239 -2.376 -2.169 1.00 0.00 C ATOM 2745 C ALA B 81 5.618 -1.942 -2.644 1.00 0.00 C ATOM 2746 O ALA B 81 5.872 -1.959 -3.847 1.00 0.00 O ATOM 2747 CB ALA B 81 3.432 -1.182 -1.656 1.00 0.00 C ATOM 0 H ALA B 81 3.786 -3.158 -0.303 1.00 0.00 H new ATOM 0 HA ALA B 81 3.717 -2.808 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.352 -0.432 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.434 -1.514 -1.368 1.00 0.00 H new ATOM 0 HB3 ALA B 81 3.934 -0.748 -0.791 1.00 0.00 H new ATOM 2753 N MET B 82 6.486 -1.554 -1.708 1.00 0.00 N ATOM 2754 CA MET B 82 7.829 -1.081 -1.984 1.00 0.00 C ATOM 2755 C MET B 82 8.618 -2.120 -2.777 1.00 0.00 C ATOM 2756 O MET B 82 9.240 -1.787 -3.782 1.00 0.00 O ATOM 2757 CB MET B 82 8.534 -0.706 -0.672 1.00 0.00 C ATOM 2758 CG MET B 82 9.953 -0.173 -0.912 1.00 0.00 C ATOM 2759 SD MET B 82 10.905 0.249 0.570 1.00 0.00 S ATOM 2760 CE MET B 82 9.968 1.659 1.195 1.00 0.00 C ATOM 0 H MET B 82 6.261 -1.563 -0.713 1.00 0.00 H new ATOM 0 HA MET B 82 7.770 -0.185 -2.601 1.00 0.00 H new ATOM 0 HB2 MET B 82 7.947 0.049 -0.148 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.580 -1.580 -0.023 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.510 -0.921 -1.476 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.885 0.715 -1.541 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.492 2.096 2.045 1.00 0.00 H new ATOM 0 HE2 MET B 82 9.867 2.406 0.408 1.00 0.00 H new ATOM 0 HE3 MET B 82 8.978 1.328 1.510 1.00 0.00 H new ATOM 2770 N ILE B 83 8.635 -3.366 -2.301 1.00 0.00 N ATOM 2771 CA ILE B 83 9.466 -4.392 -2.901 1.00 0.00 C ATOM 2772 C ILE B 83 8.970 -4.702 -4.318 1.00 0.00 C ATOM 2773 O ILE B 83 9.794 -4.702 -5.234 1.00 0.00 O ATOM 2774 CB ILE B 83 9.589 -5.639 -2.007 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.206 -5.320 -0.632 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.482 -6.687 -2.694 1.00 0.00 C ATOM 2777 CD1 ILE B 83 9.849 -6.404 0.392 1.00 0.00 C ATOM 0 H ILE B 83 8.082 -3.681 -1.504 1.00 0.00 H new ATOM 0 HA ILE B 83 10.484 -4.012 -2.988 1.00 0.00 H new ATOM 0 HB ILE B 83 8.578 -6.016 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.289 -5.243 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.846 -4.352 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.566 -7.567 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE B 83 10.041 -6.971 -3.649 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.473 -6.266 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.296 -6.156 1.355 1.00 0.00 H new ATOM 0 HD12 ILE B 83 8.766 -6.461 0.499 1.00 0.00 H new ATOM 0 HD13 ILE B 83 10.231 -7.366 0.051 1.00 0.00 H new ATOM 2789 N TYR B 84 7.668 -4.979 -4.524 1.00 0.00 N ATOM 2790 CA TYR B 84 7.212 -5.333 -5.873 1.00 0.00 C ATOM 2791 C TYR B 84 7.080 -4.127 -6.805 1.00 0.00 C ATOM 2792 O TYR B 84 7.522 -4.202 -7.951 1.00 0.00 O ATOM 2793 CB TYR B 84 6.119 -6.417 -5.972 1.00 0.00 C ATOM 2794 CG TYR B 84 4.807 -6.343 -5.211 1.00 0.00 C ATOM 2795 CD1 TYR B 84 4.164 -5.122 -4.942 1.00 0.00 C ATOM 2796 CD2 TYR B 84 4.104 -7.549 -5.012 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.837 -5.113 -4.476 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.797 -7.543 -4.503 1.00 0.00 C ATOM 2799 CZ TYR B 84 2.155 -6.319 -4.254 1.00 0.00 C ATOM 2800 OH TYR B 84 0.886 -6.287 -3.763 1.00 0.00 O ATOM 0 H TYR B 84 6.944 -4.965 -3.805 1.00 0.00 H new ATOM 0 HA TYR B 84 8.045 -5.895 -6.296 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.860 -6.499 -7.028 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.590 -7.357 -5.686 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.689 -4.191 -5.093 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.578 -8.489 -5.254 1.00 0.00 H new ATOM 0 HE1 TYR B 84 2.340 -4.173 -4.288 1.00 0.00 H new ATOM 0 HE2 TYR B 84 2.287 -8.474 -4.304 1.00 0.00 H new ATOM 0 HH TYR B 84 0.550 -7.202 -3.666 1.00 0.00 H new ATOM 2810 N ASN B 85 6.577 -2.980 -6.336 1.00 0.00 N ATOM 2811 CA ASN B 85 6.652 -1.750 -7.120 1.00 0.00 C ATOM 2812 C ASN B 85 8.035 -1.160 -6.875 1.00 0.00 C ATOM 2813 O ASN B 85 8.165 -0.083 -6.300 1.00 0.00 O ATOM 2814 CB ASN B 85 5.558 -0.729 -6.771 1.00 0.00 C ATOM 2815 CG ASN B 85 4.153 -1.303 -6.816 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.486 -1.287 -7.845 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.687 -1.788 -5.674 1.00 0.00 N ATOM 0 H ASN B 85 6.120 -2.881 -5.429 1.00 0.00 H new ATOM 0 HA ASN B 85 6.488 -1.988 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.748 -0.333 -5.773 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.621 0.110 -7.464 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.741 -2.167 -5.629 1.00 0.00 H new ATOM 0 HD22 ASN B 85 4.274 -1.783 -4.840 1.00 0.00 H new ATOM 2824 N GLU B 86 9.066 -1.887 -7.317 1.00 0.00 N ATOM 2825 CA GLU B 86 10.477 -1.618 -7.059 1.00 0.00 C ATOM 2826 C GLU B 86 10.886 -0.155 -7.291 1.00 0.00 C ATOM 2827 O GLU B 86 11.816 0.334 -6.651 1.00 0.00 O ATOM 2828 CB GLU B 86 11.347 -2.656 -7.787 1.00 0.00 C ATOM 2829 CG GLU B 86 10.960 -2.960 -9.244 1.00 0.00 C ATOM 2830 CD GLU B 86 11.643 -4.239 -9.723 1.00 0.00 C ATOM 2831 OE1 GLU B 86 11.227 -5.318 -9.244 1.00 0.00 O ATOM 2832 OE2 GLU B 86 12.575 -4.112 -10.547 1.00 0.00 O ATOM 0 H GLU B 86 8.929 -2.718 -7.892 1.00 0.00 H new ATOM 0 HA GLU B 86 10.657 -1.741 -5.991 1.00 0.00 H new ATOM 0 HB2 GLU B 86 12.380 -2.309 -7.772 1.00 0.00 H new ATOM 0 HB3 GLU B 86 11.315 -3.588 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU B 86 9.878 -3.066 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU B 86 11.247 -2.126 -9.884 1.00 0.00 H new ATOM 2839 N ALA B 87 10.162 0.551 -8.167 1.00 0.00 N ATOM 2840 CA ALA B 87 10.216 2.000 -8.339 1.00 0.00 C ATOM 2841 C ALA B 87 10.360 2.732 -6.996 1.00 0.00 C ATOM 2842 O ALA B 87 11.191 3.627 -6.848 1.00 0.00 O ATOM 2843 CB ALA B 87 8.918 2.441 -9.023 1.00 0.00 C ATOM 0 H ALA B 87 9.497 0.106 -8.799 1.00 0.00 H new ATOM 0 HA ALA B 87 11.089 2.252 -8.941 1.00 0.00 H new ATOM 0 HB1 ALA B 87 8.930 3.522 -9.165 1.00 0.00 H new ATOM 0 HB2 ALA B 87 8.832 1.949 -9.992 1.00 0.00 H new ATOM 0 HB3 ALA B 87 8.067 2.167 -8.400 1.00 0.00 H new ATOM 2849 N LEU B 88 9.572 2.319 -5.999 1.00 0.00 N ATOM 2850 CA LEU B 88 9.522 2.909 -4.667 1.00 0.00 C ATOM 2851 C LEU B 88 10.801 2.692 -3.846 1.00 0.00 C ATOM 2852 O LEU B 88 10.815 3.045 -2.669 1.00 0.00 O ATOM 2853 CB LEU B 88 8.315 2.335 -3.910 1.00 0.00 C ATOM 2854 CG LEU B 88 6.950 2.751 -4.478 1.00 0.00 C ATOM 2855 CD1 LEU B 88 5.858 1.896 -3.829 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.642 4.222 -4.175 1.00 0.00 C ATOM 0 H LEU B 88 8.929 1.535 -6.106 1.00 0.00 H new ATOM 0 HA LEU B 88 9.426 3.987 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.381 1.247 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.372 2.650 -2.868 1.00 0.00 H new ATOM 0 HG LEU B 88 6.978 2.609 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU B 88 4.885 2.185 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU B 88 6.042 0.844 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU B 88 5.869 2.050 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.669 4.483 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.629 4.376 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.409 4.854 -4.622 1.00 0.00 H new