USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 CYS SG : rot 99:sc= -2.53 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -127:sc= -1.18 (180deg=-3.55!) USER MOD Set 2.1: A 50 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 58 LYS NZ :NH3+ 180:sc= -0.0463 (180deg=-0.0463) USER MOD Set 3.1: A 12 GLN :FLIP amide:sc= 0.598 F(o=-1,f=1.3) USER MOD Set 3.2: A 16 SER OG : rot 82:sc= 0.727 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0644 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-2.7!) USER MOD Single : A 10 HIS : no HD1:sc= -0.182 K(o=-0.18,f=-0.83) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.639 K(o=0.64,f=-0.61) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.38) USER MOD Single : A 27 ASN : amide:sc= 0.0013 K(o=0.0013,f=-1.6!) USER MOD Single : A 28 THR OG1 : rot 120:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.899 X(o=-0.9,f=-0.46) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 1.06 K(o=1.1,f=-0.23) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : A 67 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.4!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -145:sc= 0.138 (180deg=-0.361) USER MOD Single : A 74 SER OG : rot 40:sc= -0.018 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.1!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 88 TYR OH : rot 150:sc= -0.0048 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.825 7.969 16.407 1.00 0.00 N ATOM 2 CA GLY A 1 -23.324 9.122 17.205 1.00 0.00 C ATOM 3 C GLY A 1 -22.692 10.436 16.787 1.00 0.00 C ATOM 4 O GLY A 1 -23.018 10.981 15.733 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.287 7.096 16.732 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.042 8.123 15.402 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.796 7.882 16.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.406 9.193 17.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.120 8.944 18.261 1.00 0.00 H new ATOM 10 N SER A 2 -21.786 10.944 17.615 1.00 0.00 N ATOM 11 CA SER A 2 -21.106 12.201 17.328 1.00 0.00 C ATOM 12 C SER A 2 -19.799 11.955 16.583 1.00 0.00 C ATOM 13 O SER A 2 -18.763 11.696 17.196 1.00 0.00 O ATOM 14 CB SER A 2 -20.833 12.966 18.624 1.00 0.00 C ATOM 15 OG SER A 2 -19.935 14.040 18.403 1.00 0.00 O ATOM 0 H SER A 2 -21.505 10.504 18.491 1.00 0.00 H new ATOM 0 HA SER A 2 -21.758 12.800 16.692 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.770 13.349 19.028 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.418 12.288 19.370 1.00 0.00 H new ATOM 0 HG SER A 2 -19.778 14.514 19.246 1.00 0.00 H new ATOM 21 N SER A 3 -19.853 12.039 15.258 1.00 0.00 N ATOM 22 CA SER A 3 -18.674 11.825 14.428 1.00 0.00 C ATOM 23 C SER A 3 -18.303 13.096 13.670 1.00 0.00 C ATOM 24 O SER A 3 -19.129 13.668 12.958 1.00 0.00 O ATOM 25 CB SER A 3 -18.918 10.682 13.441 1.00 0.00 C ATOM 26 OG SER A 3 -20.261 10.680 12.986 1.00 0.00 O ATOM 0 H SER A 3 -20.702 12.254 14.736 1.00 0.00 H new ATOM 0 HA SER A 3 -17.844 11.559 15.083 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.243 10.781 12.591 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.691 9.729 13.919 1.00 0.00 H new ATOM 0 HG SER A 3 -20.392 9.942 12.355 1.00 0.00 H new ATOM 32 N GLY A 4 -17.058 13.532 13.827 1.00 0.00 N ATOM 33 CA GLY A 4 -16.602 14.731 13.150 1.00 0.00 C ATOM 34 C GLY A 4 -15.117 14.698 12.848 1.00 0.00 C ATOM 35 O GLY A 4 -14.692 15.047 11.747 1.00 0.00 O ATOM 0 H GLY A 4 -16.357 13.076 14.411 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.156 14.852 12.219 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.824 15.600 13.769 1.00 0.00 H new ATOM 39 N SER A 5 -14.325 14.275 13.829 1.00 0.00 N ATOM 40 CA SER A 5 -12.878 14.197 13.663 1.00 0.00 C ATOM 41 C SER A 5 -12.500 13.072 12.705 1.00 0.00 C ATOM 42 O SER A 5 -12.240 11.945 13.127 1.00 0.00 O ATOM 43 CB SER A 5 -12.199 13.981 15.017 1.00 0.00 C ATOM 44 OG SER A 5 -13.021 13.217 15.883 1.00 0.00 O ATOM 0 H SER A 5 -14.661 13.981 14.746 1.00 0.00 H new ATOM 0 HA SER A 5 -12.534 15.141 13.239 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.246 13.472 14.872 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.980 14.945 15.475 1.00 0.00 H new ATOM 0 HG SER A 5 -12.564 13.091 16.741 1.00 0.00 H new ATOM 50 N SER A 6 -12.473 13.385 11.414 1.00 0.00 N ATOM 51 CA SER A 6 -12.127 12.401 10.396 1.00 0.00 C ATOM 52 C SER A 6 -10.671 11.963 10.534 1.00 0.00 C ATOM 53 O SER A 6 -10.357 10.778 10.425 1.00 0.00 O ATOM 54 CB SER A 6 -12.368 12.975 8.999 1.00 0.00 C ATOM 55 OG SER A 6 -13.701 13.436 8.860 1.00 0.00 O ATOM 0 H SER A 6 -12.687 14.313 11.048 1.00 0.00 H new ATOM 0 HA SER A 6 -12.765 11.529 10.538 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.675 13.796 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.164 12.211 8.248 1.00 0.00 H new ATOM 0 HG SER A 6 -13.829 13.800 7.959 1.00 0.00 H new ATOM 61 N GLY A 7 -9.789 12.927 10.774 1.00 0.00 N ATOM 62 CA GLY A 7 -8.378 12.622 10.923 1.00 0.00 C ATOM 63 C GLY A 7 -7.720 12.264 9.605 1.00 0.00 C ATOM 64 O GLY A 7 -7.120 13.118 8.952 1.00 0.00 O ATOM 0 H GLY A 7 -10.026 13.915 10.868 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.868 13.481 11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.260 11.793 11.621 1.00 0.00 H new ATOM 68 N HIS A 8 -7.833 10.999 9.214 1.00 0.00 N ATOM 69 CA HIS A 8 -7.245 10.530 7.965 1.00 0.00 C ATOM 70 C HIS A 8 -8.108 9.441 7.332 1.00 0.00 C ATOM 71 O HIS A 8 -7.885 8.252 7.557 1.00 0.00 O ATOM 72 CB HIS A 8 -5.831 9.999 8.211 1.00 0.00 C ATOM 73 CG HIS A 8 -4.927 10.987 8.877 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.388 10.812 10.132 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.466 12.186 8.437 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.633 11.883 10.410 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.647 12.747 9.412 1.00 0.00 N ATOM 0 H HIS A 8 -8.326 10.281 9.744 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.194 11.373 7.276 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.891 9.102 8.827 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.392 9.703 7.258 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.698 12.633 7.482 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.085 12.022 11.330 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.158 13.641 9.365 1.00 0.00 H new ATOM 85 N PRO A 9 -9.108 9.836 6.526 1.00 0.00 N ATOM 86 CA PRO A 9 -10.007 8.888 5.859 1.00 0.00 C ATOM 87 C PRO A 9 -9.248 7.809 5.093 1.00 0.00 C ATOM 88 O PRO A 9 -9.760 6.709 4.881 1.00 0.00 O ATOM 89 CB PRO A 9 -10.800 9.769 4.893 1.00 0.00 C ATOM 90 CG PRO A 9 -10.771 11.126 5.506 1.00 0.00 C ATOM 91 CD PRO A 9 -9.443 11.236 6.204 1.00 0.00 C ATOM 0 HA PRO A 9 -10.629 8.347 6.572 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.349 9.773 3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.822 9.409 4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.878 11.900 4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.594 11.254 6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.689 11.692 5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.511 11.850 7.102 1.00 0.00 H new ATOM 99 N HIS A 10 -8.027 8.129 4.681 1.00 0.00 N ATOM 100 CA HIS A 10 -7.200 7.186 3.937 1.00 0.00 C ATOM 101 C HIS A 10 -6.485 6.223 4.882 1.00 0.00 C ATOM 102 O HIS A 10 -6.458 5.015 4.649 1.00 0.00 O ATOM 103 CB HIS A 10 -6.176 7.935 3.084 1.00 0.00 C ATOM 104 CG HIS A 10 -6.792 8.895 2.116 1.00 0.00 C ATOM 105 ND1 HIS A 10 -6.719 10.266 2.239 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.506 8.659 0.985 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.376 10.807 1.204 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.872 9.875 0.414 1.00 0.00 N ATOM 0 H HIS A 10 -7.588 9.034 4.849 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.853 6.607 3.284 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.497 8.479 3.740 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.575 7.211 2.533 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.751 7.684 0.591 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.485 11.869 1.038 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.412 10.016 -0.440 1.00 0.00 H new ATOM 116 N ILE A 11 -5.906 6.767 5.947 1.00 0.00 N ATOM 117 CA ILE A 11 -5.192 5.956 6.925 1.00 0.00 C ATOM 118 C ILE A 11 -6.158 5.148 7.785 1.00 0.00 C ATOM 119 O ILE A 11 -5.859 4.020 8.179 1.00 0.00 O ATOM 120 CB ILE A 11 -4.312 6.827 7.843 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.464 7.790 7.011 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.427 5.951 8.716 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.582 8.692 7.845 1.00 0.00 C ATOM 0 H ILE A 11 -5.917 7.766 6.154 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.555 5.274 6.362 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.961 7.414 8.492 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.839 7.214 6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.123 8.405 6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.812 6.581 9.358 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.051 5.304 9.333 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.783 5.340 8.084 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.009 9.348 7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.202 9.294 8.509 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.898 8.085 8.438 1.00 0.00 H new ATOM 135 N GLN A 12 -7.318 5.731 8.070 1.00 0.00 N ATOM 136 CA GLN A 12 -8.328 5.064 8.884 1.00 0.00 C ATOM 137 C GLN A 12 -8.933 3.878 8.137 1.00 0.00 C ATOM 138 O GLN A 12 -9.273 2.860 8.739 1.00 0.00 O ATOM 139 CB GLN A 12 -9.428 6.052 9.280 1.00 0.00 C ATOM 140 CG GLN A 12 -9.718 6.072 10.772 1.00 0.00 C ATOM 141 CD GLN A 12 -10.890 5.189 11.150 1.00 0.00 C ATOM 142 OE1 GLN A 12 -10.596 3.973 11.597 1.00 0.00 O flip ATOM 143 NE2 GLN A 12 -12.047 5.593 11.042 1.00 0.00 N flip ATOM 0 H GLN A 12 -7.582 6.663 7.750 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.844 4.691 9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.138 7.053 8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.343 5.799 8.744 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.831 5.745 11.315 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.924 7.096 11.085 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.228 6.535 10.694 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.825 4.986 11.300 1.00 0.00 H new ATOM 152 N LEU A 13 -9.066 4.020 6.822 1.00 0.00 N ATOM 153 CA LEU A 13 -9.631 2.961 5.993 1.00 0.00 C ATOM 154 C LEU A 13 -8.799 1.687 6.096 1.00 0.00 C ATOM 155 O LEU A 13 -9.340 0.584 6.169 1.00 0.00 O ATOM 156 CB LEU A 13 -9.712 3.416 4.534 1.00 0.00 C ATOM 157 CG LEU A 13 -11.019 4.106 4.143 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.951 4.605 2.708 1.00 0.00 C ATOM 159 CD2 LEU A 13 -12.196 3.160 4.326 1.00 0.00 C ATOM 0 H LEU A 13 -8.791 4.857 6.308 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.636 2.746 6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.885 4.098 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.570 2.548 3.890 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.164 4.965 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.890 5.093 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.132 5.317 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.782 3.762 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.118 3.668 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.058 2.281 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.257 2.852 5.370 1.00 0.00 H new ATOM 171 N LEU A 14 -7.479 1.847 6.101 1.00 0.00 N ATOM 172 CA LEU A 14 -6.571 0.710 6.194 1.00 0.00 C ATOM 173 C LEU A 14 -6.618 0.090 7.587 1.00 0.00 C ATOM 174 O LEU A 14 -6.716 -1.129 7.732 1.00 0.00 O ATOM 175 CB LEU A 14 -5.142 1.143 5.863 1.00 0.00 C ATOM 176 CG LEU A 14 -4.958 1.755 4.473 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.599 2.431 4.366 1.00 0.00 C ATOM 178 CD2 LEU A 14 -5.115 0.691 3.398 1.00 0.00 C ATOM 0 H LEU A 14 -7.015 2.753 6.042 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.892 -0.040 5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.816 1.868 6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.486 0.277 5.952 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.729 2.510 4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.484 2.861 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.526 3.221 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.813 1.696 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.981 1.144 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.366 -0.087 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.111 0.253 3.463 1.00 0.00 H new ATOM 190 N LYS A 15 -6.546 0.937 8.609 1.00 0.00 N ATOM 191 CA LYS A 15 -6.579 0.471 9.991 1.00 0.00 C ATOM 192 C LYS A 15 -7.910 -0.206 10.303 1.00 0.00 C ATOM 193 O LYS A 15 -7.960 -1.179 11.057 1.00 0.00 O ATOM 194 CB LYS A 15 -6.352 1.641 10.950 1.00 0.00 C ATOM 195 CG LYS A 15 -4.902 2.093 11.023 1.00 0.00 C ATOM 196 CD LYS A 15 -4.687 3.096 12.146 1.00 0.00 C ATOM 197 CE LYS A 15 -3.230 3.518 12.244 1.00 0.00 C ATOM 198 NZ LYS A 15 -2.791 3.674 13.659 1.00 0.00 N ATOM 0 H LYS A 15 -6.465 1.949 8.507 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.780 -0.259 10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.971 2.482 10.638 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.685 1.353 11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.257 1.228 11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.611 2.541 10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.311 3.974 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.005 2.658 13.092 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.603 2.776 11.749 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.088 4.460 11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.792 3.962 13.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.372 4.400 14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.902 2.769 14.159 1.00 0.00 H new ATOM 212 N SER A 16 -8.985 0.314 9.721 1.00 0.00 N ATOM 213 CA SER A 16 -10.315 -0.242 9.936 1.00 0.00 C ATOM 214 C SER A 16 -10.505 -1.526 9.136 1.00 0.00 C ATOM 215 O SER A 16 -10.985 -2.530 9.661 1.00 0.00 O ATOM 216 CB SER A 16 -11.386 0.779 9.545 1.00 0.00 C ATOM 217 OG SER A 16 -11.560 1.753 10.561 1.00 0.00 O ATOM 0 H SER A 16 -8.961 1.120 9.096 1.00 0.00 H new ATOM 0 HA SER A 16 -10.416 -0.478 10.995 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.103 1.268 8.613 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.331 0.267 9.362 1.00 0.00 H new ATOM 0 HG SER A 16 -10.863 2.437 10.481 1.00 0.00 H new ATOM 223 N ASN A 17 -10.125 -1.485 7.864 1.00 0.00 N ATOM 224 CA ASN A 17 -10.252 -2.645 6.990 1.00 0.00 C ATOM 225 C ASN A 17 -8.933 -3.403 6.895 1.00 0.00 C ATOM 226 O ASN A 17 -8.559 -3.890 5.828 1.00 0.00 O ATOM 227 CB ASN A 17 -10.708 -2.210 5.595 1.00 0.00 C ATOM 228 CG ASN A 17 -12.030 -1.471 5.624 1.00 0.00 C ATOM 229 OD1 ASN A 17 -13.096 -2.074 5.490 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.970 -0.156 5.800 1.00 0.00 N ATOM 0 H ASN A 17 -9.726 -0.661 7.415 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.001 -3.311 7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.946 -1.569 5.150 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.800 -3.088 4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.828 0.394 5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.066 0.304 5.907 1.00 0.00 H new ATOM 237 N ARG A 18 -8.230 -3.498 8.019 1.00 0.00 N ATOM 238 CA ARG A 18 -6.950 -4.196 8.065 1.00 0.00 C ATOM 239 C ARG A 18 -7.151 -5.706 8.010 1.00 0.00 C ATOM 240 O ARG A 18 -6.496 -6.403 7.235 1.00 0.00 O ATOM 241 CB ARG A 18 -6.187 -3.815 9.335 1.00 0.00 C ATOM 242 CG ARG A 18 -4.830 -4.489 9.457 1.00 0.00 C ATOM 243 CD ARG A 18 -4.436 -4.689 10.912 1.00 0.00 C ATOM 244 NE ARG A 18 -3.423 -3.727 11.342 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.195 -3.409 12.614 1.00 0.00 C ATOM 246 NH1 ARG A 18 -3.902 -3.974 13.585 1.00 0.00 N ATOM 247 NH2 ARG A 18 -2.254 -2.525 12.917 1.00 0.00 N ATOM 0 H ARG A 18 -8.525 -3.100 8.911 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.367 -3.896 7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.049 -2.734 9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.792 -4.075 10.204 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.855 -5.453 8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.075 -3.884 8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.319 -4.592 11.543 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.056 -5.701 11.049 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.858 -3.273 10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.625 -4.657 13.358 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.722 -3.726 14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.706 -2.089 12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.079 -2.281 13.892 1.00 0.00 H new ATOM 261 N GLU A 19 -8.062 -6.207 8.839 1.00 0.00 N ATOM 262 CA GLU A 19 -8.349 -7.637 8.886 1.00 0.00 C ATOM 263 C GLU A 19 -8.935 -8.120 7.564 1.00 0.00 C ATOM 264 O GLU A 19 -8.731 -9.267 7.166 1.00 0.00 O ATOM 265 CB GLU A 19 -9.317 -7.945 10.029 1.00 0.00 C ATOM 266 CG GLU A 19 -8.795 -7.537 11.398 1.00 0.00 C ATOM 267 CD GLU A 19 -9.724 -7.950 12.523 1.00 0.00 C ATOM 268 OE1 GLU A 19 -10.504 -8.904 12.328 1.00 0.00 O ATOM 269 OE2 GLU A 19 -9.669 -7.320 13.600 1.00 0.00 O ATOM 0 H GLU A 19 -8.614 -5.645 9.487 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.411 -8.165 9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.261 -7.433 9.842 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.530 -9.014 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.815 -7.986 11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.658 -6.456 11.423 1.00 0.00 H new ATOM 276 N LEU A 20 -9.663 -7.238 6.887 1.00 0.00 N ATOM 277 CA LEU A 20 -10.280 -7.576 5.609 1.00 0.00 C ATOM 278 C LEU A 20 -9.265 -7.489 4.474 1.00 0.00 C ATOM 279 O LEU A 20 -9.333 -8.249 3.507 1.00 0.00 O ATOM 280 CB LEU A 20 -11.460 -6.645 5.326 1.00 0.00 C ATOM 281 CG LEU A 20 -12.237 -6.954 4.045 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.434 -7.840 4.348 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.683 -5.666 3.368 1.00 0.00 C ATOM 0 H LEU A 20 -9.840 -6.284 7.202 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.642 -8.602 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -12.148 -6.689 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.090 -5.621 5.270 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.577 -7.490 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.975 -8.049 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.091 -8.776 4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.096 -7.331 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.234 -5.905 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.326 -5.103 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.809 -5.066 3.115 1.00 0.00 H new ATOM 295 N LEU A 21 -8.325 -6.557 4.598 1.00 0.00 N ATOM 296 CA LEU A 21 -7.297 -6.370 3.582 1.00 0.00 C ATOM 297 C LEU A 21 -6.343 -7.561 3.541 1.00 0.00 C ATOM 298 O LEU A 21 -5.821 -7.914 2.483 1.00 0.00 O ATOM 299 CB LEU A 21 -6.513 -5.083 3.852 1.00 0.00 C ATOM 300 CG LEU A 21 -7.107 -3.821 3.227 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.423 -2.580 3.780 1.00 0.00 C ATOM 302 CD2 LEU A 21 -6.985 -3.869 1.711 1.00 0.00 C ATOM 0 H LEU A 21 -8.255 -5.920 5.392 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.791 -6.292 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.443 -4.938 4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.496 -5.210 3.480 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.165 -3.773 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.858 -1.691 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.562 -2.539 4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.358 -2.620 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.413 -2.963 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.934 -3.940 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.521 -4.738 1.330 1.00 0.00 H new ATOM 314 N VAL A 22 -6.122 -8.175 4.698 1.00 0.00 N ATOM 315 CA VAL A 22 -5.232 -9.327 4.793 1.00 0.00 C ATOM 316 C VAL A 22 -5.810 -10.533 4.059 1.00 0.00 C ATOM 317 O VAL A 22 -5.070 -11.377 3.555 1.00 0.00 O ATOM 318 CB VAL A 22 -4.967 -9.713 6.260 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.883 -10.777 6.345 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.588 -8.485 7.078 1.00 0.00 C ATOM 0 H VAL A 22 -6.546 -7.895 5.582 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.291 -9.037 4.325 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.884 -10.128 6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.709 -11.037 7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.201 -11.665 5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.961 -10.393 5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.405 -8.779 8.112 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.686 -8.036 6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.402 -7.761 7.045 1.00 0.00 H new ATOM 330 N THR A 23 -7.135 -10.608 4.004 1.00 0.00 N ATOM 331 CA THR A 23 -7.810 -11.713 3.332 1.00 0.00 C ATOM 332 C THR A 23 -7.932 -11.451 1.835 1.00 0.00 C ATOM 333 O THR A 23 -7.573 -12.297 1.015 1.00 0.00 O ATOM 334 CB THR A 23 -9.198 -11.932 3.936 1.00 0.00 C ATOM 335 OG1 THR A 23 -9.188 -11.663 5.327 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.721 -13.339 3.745 1.00 0.00 C ATOM 0 H THR A 23 -7.763 -9.918 4.416 1.00 0.00 H new ATOM 0 HA THR A 23 -7.210 -12.612 3.476 1.00 0.00 H new ATOM 0 HB THR A 23 -9.855 -11.243 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.085 -11.807 5.695 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.709 -13.424 4.197 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.789 -13.560 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.042 -14.047 4.220 1.00 0.00 H new ATOM 344 N HIS A 24 -8.440 -10.275 1.483 1.00 0.00 N ATOM 345 CA HIS A 24 -8.610 -9.903 0.083 1.00 0.00 C ATOM 346 C HIS A 24 -7.265 -9.850 -0.636 1.00 0.00 C ATOM 347 O HIS A 24 -7.058 -10.535 -1.638 1.00 0.00 O ATOM 348 CB HIS A 24 -9.311 -8.547 -0.024 1.00 0.00 C ATOM 349 CG HIS A 24 -10.794 -8.622 0.167 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.549 -9.741 -0.112 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.665 -7.686 0.621 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.827 -9.455 0.174 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.950 -8.221 0.623 1.00 0.00 N ATOM 0 H HIS A 24 -8.741 -9.563 2.148 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.227 -10.664 -0.396 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.891 -7.871 0.720 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.100 -8.115 -1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.403 -6.685 0.931 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.649 -10.145 0.053 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.810 -7.755 0.912 1.00 0.00 H new ATOM 361 N ILE A 25 -6.355 -9.031 -0.120 1.00 0.00 N ATOM 362 CA ILE A 25 -5.031 -8.889 -0.714 1.00 0.00 C ATOM 363 C ILE A 25 -4.267 -10.209 -0.675 1.00 0.00 C ATOM 364 O ILE A 25 -4.227 -10.885 0.352 1.00 0.00 O ATOM 365 CB ILE A 25 -4.203 -7.804 0.005 1.00 0.00 C ATOM 366 CG1 ILE A 25 -4.991 -6.493 0.074 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.874 -7.592 -0.705 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.235 -5.368 0.746 1.00 0.00 C ATOM 0 H ILE A 25 -6.510 -8.456 0.708 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.180 -8.590 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.999 -8.139 1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.260 -6.186 -0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.923 -6.666 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.302 -6.823 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.310 -8.525 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.057 -7.276 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.854 -4.471 0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.989 -5.655 1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.316 -5.167 0.195 1.00 0.00 H new ATOM 380 N ARG A 26 -3.661 -10.568 -1.803 1.00 0.00 N ATOM 381 CA ARG A 26 -2.897 -11.806 -1.901 1.00 0.00 C ATOM 382 C ARG A 26 -1.450 -11.522 -2.294 1.00 0.00 C ATOM 383 O ARG A 26 -0.517 -11.937 -1.608 1.00 0.00 O ATOM 384 CB ARG A 26 -3.541 -12.748 -2.921 1.00 0.00 C ATOM 385 CG ARG A 26 -4.449 -13.794 -2.294 1.00 0.00 C ATOM 386 CD ARG A 26 -4.398 -15.106 -3.059 1.00 0.00 C ATOM 387 NE ARG A 26 -3.043 -15.646 -3.133 1.00 0.00 N ATOM 388 CZ ARG A 26 -2.749 -16.846 -3.630 1.00 0.00 C ATOM 389 NH1 ARG A 26 -3.710 -17.632 -4.097 1.00 0.00 N ATOM 390 NH2 ARG A 26 -1.490 -17.259 -3.660 1.00 0.00 N ATOM 0 H ARG A 26 -3.685 -10.018 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.901 -12.286 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.118 -12.159 -3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.756 -13.251 -3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.151 -13.963 -1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.474 -13.423 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.052 -15.832 -2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.782 -14.952 -4.067 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.277 -15.070 -2.784 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.680 -17.318 -4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.479 -18.550 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.747 -16.658 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.264 -18.178 -4.040 1.00 0.00 H new ATOM 404 N ASN A 27 -1.273 -10.811 -3.403 1.00 0.00 N ATOM 405 CA ASN A 27 0.059 -10.470 -3.888 1.00 0.00 C ATOM 406 C ASN A 27 0.498 -9.107 -3.363 1.00 0.00 C ATOM 407 O ASN A 27 -0.199 -8.108 -3.542 1.00 0.00 O ATOM 408 CB ASN A 27 0.084 -10.473 -5.418 1.00 0.00 C ATOM 409 CG ASN A 27 1.469 -10.741 -5.973 1.00 0.00 C ATOM 410 OD1 ASN A 27 2.309 -9.844 -6.036 1.00 0.00 O ATOM 411 ND2 ASN A 27 1.714 -11.980 -6.381 1.00 0.00 N ATOM 0 H ASN A 27 -2.035 -10.460 -3.983 1.00 0.00 H new ATOM 0 HA ASN A 27 0.756 -11.222 -3.519 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.606 -11.231 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.272 -9.511 -5.786 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.628 -12.219 -6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.988 -12.693 -6.310 1.00 0.00 H new ATOM 418 N THR A 28 1.657 -9.074 -2.714 1.00 0.00 N ATOM 419 CA THR A 28 2.190 -7.834 -2.162 1.00 0.00 C ATOM 420 C THR A 28 3.292 -7.266 -3.052 1.00 0.00 C ATOM 421 O THR A 28 3.542 -6.061 -3.052 1.00 0.00 O ATOM 422 CB THR A 28 2.730 -8.069 -0.751 1.00 0.00 C ATOM 423 OG1 THR A 28 3.783 -9.018 -0.769 1.00 0.00 O ATOM 424 CG2 THR A 28 1.679 -8.570 0.217 1.00 0.00 C ATOM 0 H THR A 28 2.245 -9.892 -2.557 1.00 0.00 H new ATOM 0 HA THR A 28 1.377 -7.110 -2.117 1.00 0.00 H new ATOM 0 HB THR A 28 3.080 -7.095 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.601 -8.605 -0.421 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.129 -8.716 1.199 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.875 -7.838 0.291 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.276 -9.517 -0.142 1.00 0.00 H new ATOM 432 N GLN A 29 3.948 -8.141 -3.809 1.00 0.00 N ATOM 433 CA GLN A 29 5.024 -7.726 -4.702 1.00 0.00 C ATOM 434 C GLN A 29 4.547 -6.646 -5.670 1.00 0.00 C ATOM 435 O GLN A 29 5.299 -5.737 -6.020 1.00 0.00 O ATOM 436 CB GLN A 29 5.558 -8.927 -5.485 1.00 0.00 C ATOM 437 CG GLN A 29 7.049 -8.857 -5.766 1.00 0.00 C ATOM 438 CD GLN A 29 7.881 -8.826 -4.499 1.00 0.00 C ATOM 439 OE1 GLN A 29 8.234 -9.869 -3.949 1.00 0.00 O ATOM 440 NE2 GLN A 29 8.197 -7.625 -4.028 1.00 0.00 N ATOM 0 H GLN A 29 3.753 -9.142 -3.821 1.00 0.00 H new ATOM 0 HA GLN A 29 5.826 -7.312 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.345 -9.838 -4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.022 -9.001 -6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.342 -9.717 -6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.262 -7.967 -6.358 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.883 -6.787 -4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.754 -7.541 -3.178 1.00 0.00 H new ATOM 449 N CYS A 30 3.294 -6.753 -6.098 1.00 0.00 N ATOM 450 CA CYS A 30 2.717 -5.786 -7.025 1.00 0.00 C ATOM 451 C CYS A 30 2.709 -4.388 -6.415 1.00 0.00 C ATOM 452 O CYS A 30 3.155 -3.425 -7.040 1.00 0.00 O ATOM 453 CB CYS A 30 1.294 -6.201 -7.407 1.00 0.00 C ATOM 454 SG CYS A 30 1.141 -6.845 -9.090 1.00 0.00 S ATOM 0 H CYS A 30 2.658 -7.500 -5.818 1.00 0.00 H new ATOM 0 HA CYS A 30 3.334 -5.766 -7.924 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.948 -6.960 -6.706 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.634 -5.341 -7.297 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.096 -7.171 -9.319 1.00 0.00 H new ATOM 460 N LEU A 31 2.200 -4.284 -5.191 1.00 0.00 N ATOM 461 CA LEU A 31 2.134 -3.003 -4.498 1.00 0.00 C ATOM 462 C LEU A 31 3.532 -2.489 -4.171 1.00 0.00 C ATOM 463 O LEU A 31 3.768 -1.280 -4.137 1.00 0.00 O ATOM 464 CB LEU A 31 1.314 -3.137 -3.213 1.00 0.00 C ATOM 465 CG LEU A 31 -0.063 -3.780 -3.388 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.524 -4.418 -2.087 1.00 0.00 C ATOM 467 CD2 LEU A 31 -1.073 -2.749 -3.866 1.00 0.00 C ATOM 0 H LEU A 31 1.828 -5.071 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 31 1.648 -2.285 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.885 -3.726 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.183 -2.146 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 31 0.015 -4.562 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.505 -4.870 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.189 -5.186 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.586 -3.656 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.047 -3.223 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.147 -1.946 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.749 -2.339 -4.823 1.00 0.00 H new ATOM 479 N VAL A 32 4.456 -3.413 -3.932 1.00 0.00 N ATOM 480 CA VAL A 32 5.831 -3.054 -3.607 1.00 0.00 C ATOM 481 C VAL A 32 6.593 -2.623 -4.856 1.00 0.00 C ATOM 482 O VAL A 32 7.382 -1.678 -4.818 1.00 0.00 O ATOM 483 CB VAL A 32 6.578 -4.227 -2.943 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.950 -3.784 -2.461 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.760 -4.799 -1.793 1.00 0.00 C ATOM 0 H VAL A 32 4.277 -4.417 -3.957 1.00 0.00 H new ATOM 0 HA VAL A 32 5.784 -2.221 -2.905 1.00 0.00 H new ATOM 0 HB VAL A 32 6.716 -5.012 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.461 -4.626 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.536 -3.427 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.838 -2.980 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.303 -5.626 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.588 -4.023 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.803 -5.158 -2.171 1.00 0.00 H new ATOM 495 N ASP A 33 6.353 -3.321 -5.961 1.00 0.00 N ATOM 496 CA ASP A 33 7.017 -3.009 -7.221 1.00 0.00 C ATOM 497 C ASP A 33 6.699 -1.586 -7.667 1.00 0.00 C ATOM 498 O ASP A 33 7.550 -0.896 -8.229 1.00 0.00 O ATOM 499 CB ASP A 33 6.592 -4.002 -8.304 1.00 0.00 C ATOM 500 CG ASP A 33 7.683 -4.243 -9.330 1.00 0.00 C ATOM 501 OD1 ASP A 33 8.523 -3.340 -9.525 1.00 0.00 O ATOM 502 OD2 ASP A 33 7.698 -5.335 -9.936 1.00 0.00 O ATOM 0 H ASP A 33 5.704 -4.106 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 33 8.093 -3.089 -7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.320 -4.949 -7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.701 -3.627 -8.807 1.00 0.00 H new ATOM 507 N ASN A 34 5.469 -1.153 -7.413 1.00 0.00 N ATOM 508 CA ASN A 34 5.039 0.189 -7.788 1.00 0.00 C ATOM 509 C ASN A 34 5.532 1.221 -6.779 1.00 0.00 C ATOM 510 O ASN A 34 6.035 2.279 -7.153 1.00 0.00 O ATOM 511 CB ASN A 34 3.514 0.248 -7.892 1.00 0.00 C ATOM 512 CG ASN A 34 2.975 -0.625 -9.008 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.514 -0.639 -10.116 1.00 0.00 O ATOM 514 ND2 ASN A 34 1.907 -1.360 -8.722 1.00 0.00 N ATOM 0 H ASN A 34 4.752 -1.711 -6.949 1.00 0.00 H new ATOM 0 HA ASN A 34 5.472 0.423 -8.760 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.076 -0.067 -6.945 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.204 1.279 -8.060 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.501 -1.967 -9.433 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.493 -1.317 -7.791 1.00 0.00 H new ATOM 521 N LEU A 35 5.382 0.904 -5.496 1.00 0.00 N ATOM 522 CA LEU A 35 5.813 1.804 -4.433 1.00 0.00 C ATOM 523 C LEU A 35 7.310 2.079 -4.524 1.00 0.00 C ATOM 524 O LEU A 35 7.775 3.162 -4.165 1.00 0.00 O ATOM 525 CB LEU A 35 5.475 1.208 -3.065 1.00 0.00 C ATOM 526 CG LEU A 35 4.009 1.335 -2.646 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.663 0.296 -1.591 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.722 2.737 -2.132 1.00 0.00 C ATOM 0 H LEU A 35 4.966 0.032 -5.169 1.00 0.00 H new ATOM 0 HA LEU A 35 5.282 2.748 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.745 0.152 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.095 1.693 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 35 3.384 1.155 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.616 0.402 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.830 -0.702 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.295 0.443 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.675 2.810 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.356 2.945 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.929 3.462 -2.919 1.00 0.00 H new ATOM 540 N LEU A 36 8.059 1.095 -5.008 1.00 0.00 N ATOM 541 CA LEU A 36 9.504 1.232 -5.147 1.00 0.00 C ATOM 542 C LEU A 36 9.857 2.032 -6.397 1.00 0.00 C ATOM 543 O LEU A 36 10.740 2.890 -6.368 1.00 0.00 O ATOM 544 CB LEU A 36 10.164 -0.147 -5.206 1.00 0.00 C ATOM 545 CG LEU A 36 10.335 -0.841 -3.854 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.730 -2.297 -4.047 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.371 -0.114 -3.010 1.00 0.00 C ATOM 0 H LEU A 36 7.690 0.194 -5.311 1.00 0.00 H new ATOM 0 HA LEU A 36 9.879 1.770 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.569 -0.790 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.144 -0.044 -5.671 1.00 0.00 H new ATOM 0 HG LEU A 36 9.380 -0.812 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.847 -2.774 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.954 -2.813 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.672 -2.349 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.480 -0.621 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.329 -0.112 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.048 0.913 -2.842 1.00 0.00 H new ATOM 559 N LYS A 37 9.161 1.746 -7.492 1.00 0.00 N ATOM 560 CA LYS A 37 9.401 2.439 -8.752 1.00 0.00 C ATOM 561 C LYS A 37 9.100 3.929 -8.618 1.00 0.00 C ATOM 562 O LYS A 37 9.743 4.762 -9.257 1.00 0.00 O ATOM 563 CB LYS A 37 8.543 1.833 -9.864 1.00 0.00 C ATOM 564 CG LYS A 37 9.135 2.007 -11.254 1.00 0.00 C ATOM 565 CD LYS A 37 9.665 0.694 -11.805 1.00 0.00 C ATOM 566 CE LYS A 37 10.910 0.907 -12.652 1.00 0.00 C ATOM 567 NZ LYS A 37 10.603 0.880 -14.109 1.00 0.00 N ATOM 0 H LYS A 37 8.427 1.039 -7.532 1.00 0.00 H new ATOM 0 HA LYS A 37 10.454 2.319 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.406 0.770 -9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.554 2.292 -9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.375 2.404 -11.927 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.942 2.739 -11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.896 0.019 -10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.893 0.212 -12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.365 1.864 -12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.643 0.134 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.478 1.029 -14.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.193 -0.042 -14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.923 1.634 -14.335 1.00 0.00 H new ATOM 581 N ASN A 38 8.120 4.256 -7.783 1.00 0.00 N ATOM 582 CA ASN A 38 7.733 5.646 -7.563 1.00 0.00 C ATOM 583 C ASN A 38 8.635 6.319 -6.527 1.00 0.00 C ATOM 584 O ASN A 38 8.456 7.495 -6.212 1.00 0.00 O ATOM 585 CB ASN A 38 6.273 5.722 -7.111 1.00 0.00 C ATOM 586 CG ASN A 38 5.302 5.515 -8.256 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.737 6.472 -8.787 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.101 4.261 -8.643 1.00 0.00 N ATOM 0 H ASN A 38 7.579 3.578 -7.247 1.00 0.00 H new ATOM 0 HA ASN A 38 7.847 6.178 -8.508 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.093 4.968 -6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.088 6.693 -6.652 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.457 4.060 -9.408 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.590 3.498 -8.175 1.00 0.00 H new ATOM 595 N ASP A 39 9.603 5.571 -5.999 1.00 0.00 N ATOM 596 CA ASP A 39 10.524 6.105 -5.002 1.00 0.00 C ATOM 597 C ASP A 39 9.785 6.464 -3.717 1.00 0.00 C ATOM 598 O ASP A 39 10.089 7.469 -3.073 1.00 0.00 O ATOM 599 CB ASP A 39 11.253 7.334 -5.555 1.00 0.00 C ATOM 600 CG ASP A 39 12.651 7.007 -6.039 1.00 0.00 C ATOM 601 OD1 ASP A 39 13.348 6.226 -5.357 1.00 0.00 O ATOM 602 OD2 ASP A 39 13.051 7.532 -7.099 1.00 0.00 O ATOM 0 H ASP A 39 9.768 4.595 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 39 11.259 5.334 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.676 7.756 -6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.309 8.099 -4.780 1.00 0.00 H new ATOM 607 N TYR A 40 8.813 5.637 -3.347 1.00 0.00 N ATOM 608 CA TYR A 40 8.032 5.867 -2.138 1.00 0.00 C ATOM 609 C TYR A 40 8.545 5.009 -0.985 1.00 0.00 C ATOM 610 O TYR A 40 8.965 5.529 0.049 1.00 0.00 O ATOM 611 CB TYR A 40 6.555 5.564 -2.395 1.00 0.00 C ATOM 612 CG TYR A 40 5.785 6.736 -2.961 1.00 0.00 C ATOM 613 CD1 TYR A 40 6.054 7.218 -4.236 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.790 7.360 -2.220 1.00 0.00 C ATOM 615 CE1 TYR A 40 5.354 8.289 -4.757 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.083 8.432 -2.734 1.00 0.00 C ATOM 617 CZ TYR A 40 4.369 8.892 -4.002 1.00 0.00 C ATOM 618 OH TYR A 40 3.668 9.958 -4.518 1.00 0.00 O ATOM 0 H TYR A 40 8.547 4.801 -3.868 1.00 0.00 H new ATOM 0 HA TYR A 40 8.139 6.916 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.480 4.724 -3.085 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.089 5.251 -1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.823 6.747 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.565 7.002 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.576 8.652 -5.749 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.311 8.906 -2.146 1.00 0.00 H new ATOM 0 HH TYR A 40 3.010 10.266 -3.860 1.00 0.00 H new ATOM 628 N PHE A 41 8.510 3.694 -1.171 1.00 0.00 N ATOM 629 CA PHE A 41 8.971 2.765 -0.146 1.00 0.00 C ATOM 630 C PHE A 41 10.495 2.727 -0.093 1.00 0.00 C ATOM 631 O PHE A 41 11.156 2.496 -1.106 1.00 0.00 O ATOM 632 CB PHE A 41 8.423 1.363 -0.415 1.00 0.00 C ATOM 633 CG PHE A 41 7.142 1.069 0.312 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.099 1.982 0.301 1.00 0.00 C ATOM 635 CD2 PHE A 41 6.980 -0.121 1.005 1.00 0.00 C ATOM 636 CE1 PHE A 41 4.919 1.714 0.969 1.00 0.00 C ATOM 637 CE2 PHE A 41 5.802 -0.394 1.674 1.00 0.00 C ATOM 638 CZ PHE A 41 4.770 0.525 1.656 1.00 0.00 C ATOM 0 H PHE A 41 8.167 3.248 -2.022 1.00 0.00 H new ATOM 0 HA PHE A 41 8.600 3.113 0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.258 1.246 -1.486 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.173 0.627 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.210 2.913 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.783 -0.843 1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.114 2.434 0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.688 -1.324 2.210 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.849 0.314 2.178 1.00 0.00 H new ATOM 648 N SER A 42 11.047 2.954 1.095 1.00 0.00 N ATOM 649 CA SER A 42 12.494 2.944 1.280 1.00 0.00 C ATOM 650 C SER A 42 13.047 1.527 1.167 1.00 0.00 C ATOM 651 O SER A 42 12.293 0.554 1.163 1.00 0.00 O ATOM 652 CB SER A 42 12.858 3.540 2.642 1.00 0.00 C ATOM 653 OG SER A 42 12.235 4.798 2.832 1.00 0.00 O ATOM 0 H SER A 42 10.515 3.147 1.943 1.00 0.00 H new ATOM 0 HA SER A 42 12.941 3.552 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.553 2.857 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.940 3.652 2.716 1.00 0.00 H new ATOM 0 HG SER A 42 12.482 5.156 3.710 1.00 0.00 H new ATOM 659 N ALA A 43 14.369 1.419 1.075 1.00 0.00 N ATOM 660 CA ALA A 43 15.022 0.121 0.962 1.00 0.00 C ATOM 661 C ALA A 43 14.846 -0.695 2.238 1.00 0.00 C ATOM 662 O ALA A 43 14.707 -1.917 2.190 1.00 0.00 O ATOM 663 CB ALA A 43 16.500 0.300 0.648 1.00 0.00 C ATOM 0 H ALA A 43 15.008 2.214 1.077 1.00 0.00 H new ATOM 0 HA ALA A 43 14.551 -0.425 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.976 -0.677 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.609 0.837 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.975 0.869 1.447 1.00 0.00 H new ATOM 669 N GLU A 44 14.852 -0.012 3.377 1.00 0.00 N ATOM 670 CA GLU A 44 14.692 -0.674 4.665 1.00 0.00 C ATOM 671 C GLU A 44 13.263 -1.173 4.848 1.00 0.00 C ATOM 672 O GLU A 44 13.036 -2.249 5.401 1.00 0.00 O ATOM 673 CB GLU A 44 15.060 0.282 5.803 1.00 0.00 C ATOM 674 CG GLU A 44 16.483 0.808 5.718 1.00 0.00 C ATOM 675 CD GLU A 44 17.008 1.287 7.056 1.00 0.00 C ATOM 676 OE1 GLU A 44 16.349 2.144 7.681 1.00 0.00 O ATOM 677 OE2 GLU A 44 18.079 0.803 7.481 1.00 0.00 O ATOM 0 H GLU A 44 14.966 1.000 3.434 1.00 0.00 H new ATOM 0 HA GLU A 44 15.363 -1.533 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.369 1.125 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.927 -0.232 6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.135 0.022 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.521 1.629 5.002 1.00 0.00 H new ATOM 684 N ASP A 45 12.302 -0.383 4.378 1.00 0.00 N ATOM 685 CA ASP A 45 10.892 -0.744 4.489 1.00 0.00 C ATOM 686 C ASP A 45 10.612 -2.070 3.789 1.00 0.00 C ATOM 687 O ASP A 45 9.922 -2.935 4.330 1.00 0.00 O ATOM 688 CB ASP A 45 10.015 0.356 3.891 1.00 0.00 C ATOM 689 CG ASP A 45 9.943 1.585 4.778 1.00 0.00 C ATOM 690 OD1 ASP A 45 9.817 1.420 6.010 1.00 0.00 O ATOM 691 OD2 ASP A 45 10.012 2.709 4.241 1.00 0.00 O ATOM 0 H ASP A 45 12.474 0.511 3.917 1.00 0.00 H new ATOM 0 HA ASP A 45 10.654 -0.855 5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.407 0.639 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.009 -0.032 3.730 1.00 0.00 H new ATOM 696 N ALA A 46 11.151 -2.224 2.585 1.00 0.00 N ATOM 697 CA ALA A 46 10.958 -3.445 1.811 1.00 0.00 C ATOM 698 C ALA A 46 11.478 -4.665 2.566 1.00 0.00 C ATOM 699 O ALA A 46 10.983 -5.777 2.383 1.00 0.00 O ATOM 700 CB ALA A 46 11.645 -3.327 0.460 1.00 0.00 C ATOM 0 H ALA A 46 11.725 -1.519 2.123 1.00 0.00 H new ATOM 0 HA ALA A 46 9.888 -3.578 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.493 -4.245 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.223 -2.486 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.713 -3.165 0.608 1.00 0.00 H new ATOM 706 N GLU A 47 12.478 -4.450 3.415 1.00 0.00 N ATOM 707 CA GLU A 47 13.065 -5.532 4.195 1.00 0.00 C ATOM 708 C GLU A 47 12.137 -5.951 5.332 1.00 0.00 C ATOM 709 O GLU A 47 12.114 -7.116 5.730 1.00 0.00 O ATOM 710 CB GLU A 47 14.425 -5.106 4.755 1.00 0.00 C ATOM 711 CG GLU A 47 15.568 -6.015 4.334 1.00 0.00 C ATOM 712 CD GLU A 47 16.915 -5.524 4.827 1.00 0.00 C ATOM 713 OE1 GLU A 47 17.486 -4.616 4.187 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.399 -6.048 5.853 1.00 0.00 O ATOM 0 H GLU A 47 12.898 -3.535 3.580 1.00 0.00 H new ATOM 0 HA GLU A 47 13.206 -6.388 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.641 -4.089 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.370 -5.085 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.389 -7.019 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.588 -6.088 3.247 1.00 0.00 H new ATOM 721 N ILE A 48 11.376 -4.994 5.851 1.00 0.00 N ATOM 722 CA ILE A 48 10.448 -5.265 6.943 1.00 0.00 C ATOM 723 C ILE A 48 9.247 -6.071 6.458 1.00 0.00 C ATOM 724 O ILE A 48 8.731 -6.927 7.175 1.00 0.00 O ATOM 725 CB ILE A 48 9.949 -3.960 7.594 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.132 -3.064 7.962 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.108 -4.268 8.824 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.725 -1.668 8.384 1.00 0.00 C ATOM 0 H ILE A 48 11.383 -4.025 5.534 1.00 0.00 H new ATOM 0 HA ILE A 48 10.995 -5.846 7.686 1.00 0.00 H new ATOM 0 HB ILE A 48 9.324 -3.429 6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.693 -3.531 8.772 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.805 -2.995 7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.763 -3.336 9.272 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.248 -4.871 8.535 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.710 -4.818 9.548 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.615 -1.088 8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.190 -1.182 7.568 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.077 -1.727 9.258 1.00 0.00 H new ATOM 740 N VAL A 49 8.806 -5.790 5.236 1.00 0.00 N ATOM 741 CA VAL A 49 7.666 -6.489 4.656 1.00 0.00 C ATOM 742 C VAL A 49 8.024 -7.929 4.309 1.00 0.00 C ATOM 743 O VAL A 49 7.229 -8.845 4.521 1.00 0.00 O ATOM 744 CB VAL A 49 7.156 -5.778 3.388 1.00 0.00 C ATOM 745 CG1 VAL A 49 5.862 -6.412 2.902 1.00 0.00 C ATOM 746 CG2 VAL A 49 6.965 -4.292 3.650 1.00 0.00 C ATOM 0 H VAL A 49 9.221 -5.083 4.629 1.00 0.00 H new ATOM 0 HA VAL A 49 6.876 -6.485 5.407 1.00 0.00 H new ATOM 0 HB VAL A 49 7.905 -5.892 2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.518 -5.896 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.036 -7.463 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.103 -6.332 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.604 -3.806 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.237 -4.154 4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.916 -3.849 3.945 1.00 0.00 H new ATOM 756 N CYS A 50 9.225 -8.123 3.773 1.00 0.00 N ATOM 757 CA CYS A 50 9.688 -9.454 3.396 1.00 0.00 C ATOM 758 C CYS A 50 10.029 -10.284 4.630 1.00 0.00 C ATOM 759 O CYS A 50 9.964 -11.513 4.601 1.00 0.00 O ATOM 760 CB CYS A 50 10.910 -9.350 2.483 1.00 0.00 C ATOM 761 SG CYS A 50 10.510 -9.053 0.746 1.00 0.00 S ATOM 0 H CYS A 50 9.895 -7.376 3.590 1.00 0.00 H new ATOM 0 HA CYS A 50 8.882 -9.953 2.859 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.550 -8.543 2.841 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.487 -10.272 2.559 1.00 0.00 H new ATOM 0 HG CYS A 50 11.608 -8.978 0.054 1.00 0.00 H new ATOM 767 N ALA A 51 10.393 -9.604 5.715 1.00 0.00 N ATOM 768 CA ALA A 51 10.744 -10.281 6.959 1.00 0.00 C ATOM 769 C ALA A 51 9.616 -11.190 7.435 1.00 0.00 C ATOM 770 O ALA A 51 9.848 -12.155 8.162 1.00 0.00 O ATOM 771 CB ALA A 51 11.089 -9.260 8.033 1.00 0.00 C ATOM 0 H ALA A 51 10.452 -8.587 5.757 1.00 0.00 H new ATOM 0 HA ALA A 51 11.617 -10.905 6.767 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.349 -9.777 8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.936 -8.657 7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.230 -8.613 8.209 1.00 0.00 H new ATOM 777 N CYS A 52 8.390 -10.878 7.021 1.00 0.00 N ATOM 778 CA CYS A 52 7.227 -11.669 7.408 1.00 0.00 C ATOM 779 C CYS A 52 7.404 -13.133 7.009 1.00 0.00 C ATOM 780 O CYS A 52 8.031 -13.437 5.993 1.00 0.00 O ATOM 781 CB CYS A 52 5.961 -11.104 6.762 1.00 0.00 C ATOM 782 SG CYS A 52 5.392 -9.551 7.493 1.00 0.00 S ATOM 0 H CYS A 52 8.177 -10.083 6.418 1.00 0.00 H new ATOM 0 HA CYS A 52 7.129 -11.616 8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.147 -10.947 5.700 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.164 -11.844 6.840 1.00 0.00 H new ATOM 0 HG CYS A 52 5.792 -8.554 6.760 1.00 0.00 H new ATOM 788 N PRO A 53 6.853 -14.063 7.807 1.00 0.00 N ATOM 789 CA PRO A 53 6.955 -15.499 7.533 1.00 0.00 C ATOM 790 C PRO A 53 6.022 -15.944 6.411 1.00 0.00 C ATOM 791 O PRO A 53 6.401 -16.743 5.555 1.00 0.00 O ATOM 792 CB PRO A 53 6.539 -16.135 8.858 1.00 0.00 C ATOM 793 CG PRO A 53 5.603 -15.150 9.468 1.00 0.00 C ATOM 794 CD PRO A 53 6.089 -13.789 9.041 1.00 0.00 C ATOM 0 HA PRO A 53 7.953 -15.783 7.199 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.054 -17.098 8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.401 -16.313 9.500 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.581 -15.322 9.130 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.598 -15.239 10.554 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.259 -13.107 8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.715 -13.329 9.806 1.00 0.00 H new ATOM 802 N THR A 54 4.800 -15.422 6.423 1.00 0.00 N ATOM 803 CA THR A 54 3.811 -15.767 5.408 1.00 0.00 C ATOM 804 C THR A 54 3.390 -14.534 4.612 1.00 0.00 C ATOM 805 O THR A 54 3.906 -13.438 4.828 1.00 0.00 O ATOM 806 CB THR A 54 2.587 -16.410 6.059 1.00 0.00 C ATOM 807 OG1 THR A 54 2.037 -15.557 7.046 1.00 0.00 O ATOM 808 CG2 THR A 54 2.887 -17.740 6.716 1.00 0.00 C ATOM 0 H THR A 54 4.471 -14.759 7.124 1.00 0.00 H new ATOM 0 HA THR A 54 4.267 -16.480 4.721 1.00 0.00 H new ATOM 0 HB THR A 54 1.882 -16.577 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.254 -15.986 7.450 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.975 -18.141 7.158 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.265 -18.438 5.969 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.637 -17.600 7.495 1.00 0.00 H new ATOM 816 N GLN A 55 2.450 -14.724 3.693 1.00 0.00 N ATOM 817 CA GLN A 55 1.957 -13.629 2.864 1.00 0.00 C ATOM 818 C GLN A 55 1.037 -12.709 3.663 1.00 0.00 C ATOM 819 O GLN A 55 1.242 -11.495 3.703 1.00 0.00 O ATOM 820 CB GLN A 55 1.219 -14.178 1.641 1.00 0.00 C ATOM 821 CG GLN A 55 1.669 -13.557 0.329 1.00 0.00 C ATOM 822 CD GLN A 55 2.886 -14.248 -0.255 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.790 -15.352 -0.792 1.00 0.00 O ATOM 824 NE2 GLN A 55 4.041 -13.600 -0.152 1.00 0.00 N ATOM 0 H GLN A 55 2.014 -15.626 3.503 1.00 0.00 H new ATOM 0 HA GLN A 55 2.815 -13.047 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.367 -15.257 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.150 -14.008 1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.851 -13.601 -0.390 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.896 -12.503 0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.075 -12.687 0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.894 -14.016 -0.526 1.00 0.00 H new ATOM 833 N PRO A 56 0.004 -13.275 4.314 1.00 0.00 N ATOM 834 CA PRO A 56 -0.947 -12.497 5.114 1.00 0.00 C ATOM 835 C PRO A 56 -0.248 -11.556 6.090 1.00 0.00 C ATOM 836 O PRO A 56 -0.718 -10.446 6.342 1.00 0.00 O ATOM 837 CB PRO A 56 -1.731 -13.569 5.871 1.00 0.00 C ATOM 838 CG PRO A 56 -1.657 -14.775 5.001 1.00 0.00 C ATOM 839 CD PRO A 56 -0.315 -14.715 4.322 1.00 0.00 C ATOM 0 HA PRO A 56 -1.570 -11.852 4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.295 -13.760 6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.764 -13.262 6.036 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.756 -15.687 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.465 -14.778 4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.436 -15.289 4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.358 -15.122 3.312 1.00 0.00 H new ATOM 847 N ASP A 57 0.877 -12.006 6.635 1.00 0.00 N ATOM 848 CA ASP A 57 1.642 -11.204 7.582 1.00 0.00 C ATOM 849 C ASP A 57 2.212 -9.963 6.904 1.00 0.00 C ATOM 850 O ASP A 57 2.322 -8.902 7.520 1.00 0.00 O ATOM 851 CB ASP A 57 2.774 -12.036 8.188 1.00 0.00 C ATOM 852 CG ASP A 57 2.405 -12.618 9.538 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.447 -13.418 9.599 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.073 -12.273 10.537 1.00 0.00 O ATOM 0 H ASP A 57 1.279 -12.922 6.437 1.00 0.00 H new ATOM 0 HA ASP A 57 0.970 -10.885 8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.032 -12.845 7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.662 -11.413 8.294 1.00 0.00 H new ATOM 859 N LYS A 58 2.572 -10.102 5.633 1.00 0.00 N ATOM 860 CA LYS A 58 3.130 -8.992 4.870 1.00 0.00 C ATOM 861 C LYS A 58 2.132 -7.844 4.771 1.00 0.00 C ATOM 862 O LYS A 58 2.463 -6.693 5.057 1.00 0.00 O ATOM 863 CB LYS A 58 3.530 -9.458 3.469 1.00 0.00 C ATOM 864 CG LYS A 58 4.592 -10.545 3.470 1.00 0.00 C ATOM 865 CD LYS A 58 4.800 -11.122 2.079 1.00 0.00 C ATOM 866 CE LYS A 58 6.004 -10.499 1.391 1.00 0.00 C ATOM 867 NZ LYS A 58 7.190 -11.399 1.421 1.00 0.00 N ATOM 0 H LYS A 58 2.487 -10.973 5.109 1.00 0.00 H new ATOM 0 HA LYS A 58 4.017 -8.634 5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.645 -9.827 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.898 -8.603 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.532 -10.136 3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.299 -11.341 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.938 -12.201 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.908 -10.953 1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.751 -10.267 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.252 -9.556 1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.989 -10.937 0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.448 -11.600 2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.963 -12.289 0.934 1.00 0.00 H new ATOM 881 N VAL A 59 0.906 -8.164 4.367 1.00 0.00 N ATOM 882 CA VAL A 59 -0.143 -7.159 4.230 1.00 0.00 C ATOM 883 C VAL A 59 -0.319 -6.366 5.522 1.00 0.00 C ATOM 884 O VAL A 59 -0.687 -5.192 5.496 1.00 0.00 O ATOM 885 CB VAL A 59 -1.490 -7.800 3.849 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.513 -6.729 3.505 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.312 -8.770 2.690 1.00 0.00 C ATOM 0 H VAL A 59 0.615 -9.112 4.129 1.00 0.00 H new ATOM 0 HA VAL A 59 0.169 -6.485 3.432 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.860 -8.360 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.459 -7.201 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.663 -6.079 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.152 -6.138 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.275 -9.213 2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.918 -8.236 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.615 -9.557 2.978 1.00 0.00 H new ATOM 897 N ARG A 60 -0.053 -7.017 6.649 1.00 0.00 N ATOM 898 CA ARG A 60 -0.181 -6.373 7.952 1.00 0.00 C ATOM 899 C ARG A 60 0.987 -5.424 8.205 1.00 0.00 C ATOM 900 O ARG A 60 0.840 -4.410 8.886 1.00 0.00 O ATOM 901 CB ARG A 60 -0.245 -7.427 9.059 1.00 0.00 C ATOM 902 CG ARG A 60 -1.147 -7.037 10.219 1.00 0.00 C ATOM 903 CD ARG A 60 -1.097 -8.070 11.335 1.00 0.00 C ATOM 904 NE ARG A 60 -0.754 -7.468 12.622 1.00 0.00 N ATOM 905 CZ ARG A 60 -1.634 -6.859 13.415 1.00 0.00 C ATOM 906 NH1 ARG A 60 -2.908 -6.765 13.057 1.00 0.00 N ATOM 907 NH2 ARG A 60 -1.236 -6.342 14.570 1.00 0.00 N ATOM 0 H ARG A 60 0.252 -7.989 6.687 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.105 -5.794 7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.599 -8.367 8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.762 -7.607 9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.843 -6.065 10.607 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.172 -6.932 9.865 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.064 -8.567 11.413 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.364 -8.837 11.087 1.00 0.00 H new ATOM 0 HE ARG A 60 0.217 -7.517 12.931 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.219 -7.160 12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.577 -6.297 13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.257 -6.411 14.850 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.908 -5.875 15.179 1.00 0.00 H new ATOM 921 N LYS A 61 2.147 -5.763 7.652 1.00 0.00 N ATOM 922 CA LYS A 61 3.343 -4.945 7.818 1.00 0.00 C ATOM 923 C LYS A 61 3.308 -3.726 6.902 1.00 0.00 C ATOM 924 O LYS A 61 3.607 -2.611 7.326 1.00 0.00 O ATOM 925 CB LYS A 61 4.596 -5.775 7.531 1.00 0.00 C ATOM 926 CG LYS A 61 5.885 -5.102 7.970 1.00 0.00 C ATOM 927 CD LYS A 61 5.983 -5.021 9.485 1.00 0.00 C ATOM 928 CE LYS A 61 6.244 -6.387 10.100 1.00 0.00 C ATOM 929 NZ LYS A 61 4.985 -7.158 10.303 1.00 0.00 N ATOM 0 H LYS A 61 2.284 -6.599 7.085 1.00 0.00 H new ATOM 0 HA LYS A 61 3.371 -4.597 8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.508 -6.737 8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.649 -5.980 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.738 -5.656 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.935 -4.099 7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.785 -4.337 9.763 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.058 -4.610 9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.915 -6.953 9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.751 -6.263 11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.929 -7.477 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.168 -6.551 10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.978 -7.984 9.671 1.00 0.00 H new ATOM 943 N ILE A 62 2.941 -3.948 5.643 1.00 0.00 N ATOM 944 CA ILE A 62 2.868 -2.867 4.666 1.00 0.00 C ATOM 945 C ILE A 62 1.963 -1.739 5.157 1.00 0.00 C ATOM 946 O ILE A 62 2.263 -0.561 4.964 1.00 0.00 O ATOM 947 CB ILE A 62 2.353 -3.372 3.302 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.233 -4.514 2.790 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.313 -2.236 2.289 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.718 -5.151 1.517 1.00 0.00 C ATOM 0 H ILE A 62 2.690 -4.866 5.276 1.00 0.00 H new ATOM 0 HA ILE A 62 3.882 -2.486 4.542 1.00 0.00 H new ATOM 0 HB ILE A 62 1.339 -3.748 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.240 -4.135 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.309 -5.278 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.947 -2.613 1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.647 -1.451 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.316 -1.829 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.391 -5.952 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.723 -5.560 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.668 -4.400 0.729 1.00 0.00 H new ATOM 962 N LEU A 63 0.857 -2.109 5.793 1.00 0.00 N ATOM 963 CA LEU A 63 -0.089 -1.127 6.310 1.00 0.00 C ATOM 964 C LEU A 63 0.541 -0.301 7.427 1.00 0.00 C ATOM 965 O LEU A 63 0.345 0.912 7.501 1.00 0.00 O ATOM 966 CB LEU A 63 -1.350 -1.825 6.824 1.00 0.00 C ATOM 967 CG LEU A 63 -2.193 -2.511 5.749 1.00 0.00 C ATOM 968 CD1 LEU A 63 -3.283 -3.359 6.386 1.00 0.00 C ATOM 969 CD2 LEU A 63 -2.797 -1.479 4.807 1.00 0.00 C ATOM 0 H LEU A 63 0.594 -3.080 5.963 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.360 -0.456 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.059 -2.569 7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.970 -1.090 7.337 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.545 -3.167 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.873 -3.840 5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.828 -4.121 7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.930 -2.725 6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.394 -1.985 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.432 -0.797 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.998 -0.915 4.325 1.00 0.00 H new ATOM 981 N ASP A 64 1.298 -0.966 8.294 1.00 0.00 N ATOM 982 CA ASP A 64 1.956 -0.291 9.407 1.00 0.00 C ATOM 983 C ASP A 64 2.961 0.739 8.901 1.00 0.00 C ATOM 984 O ASP A 64 3.047 1.848 9.430 1.00 0.00 O ATOM 985 CB ASP A 64 2.662 -1.312 10.303 1.00 0.00 C ATOM 986 CG ASP A 64 2.783 -0.835 11.737 1.00 0.00 C ATOM 987 OD1 ASP A 64 1.994 0.045 12.139 1.00 0.00 O ATOM 988 OD2 ASP A 64 3.668 -1.342 12.457 1.00 0.00 O ATOM 0 H ASP A 64 1.471 -1.970 8.247 1.00 0.00 H new ATOM 0 HA ASP A 64 1.193 0.227 9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.112 -2.253 10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.656 -1.515 9.905 1.00 0.00 H new ATOM 993 N LEU A 65 3.719 0.366 7.876 1.00 0.00 N ATOM 994 CA LEU A 65 4.718 1.258 7.299 1.00 0.00 C ATOM 995 C LEU A 65 4.063 2.509 6.721 1.00 0.00 C ATOM 996 O LEU A 65 4.369 3.628 7.132 1.00 0.00 O ATOM 997 CB LEU A 65 5.512 0.534 6.209 1.00 0.00 C ATOM 998 CG LEU A 65 6.515 -0.501 6.719 1.00 0.00 C ATOM 999 CD1 LEU A 65 7.099 -1.294 5.560 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.619 0.176 7.516 1.00 0.00 C ATOM 0 H LEU A 65 3.661 -0.548 7.427 1.00 0.00 H new ATOM 0 HA LEU A 65 5.399 1.561 8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.810 0.038 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.048 1.276 5.617 1.00 0.00 H new ATOM 0 HG LEU A 65 5.992 -1.194 7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.811 -2.026 5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.297 -1.809 5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.608 -0.616 4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.324 -0.575 7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.141 0.891 6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.185 0.698 8.369 1.00 0.00 H new ATOM 1012 N VAL A 66 3.159 2.310 5.767 1.00 0.00 N ATOM 1013 CA VAL A 66 2.460 3.421 5.134 1.00 0.00 C ATOM 1014 C VAL A 66 1.670 4.229 6.159 1.00 0.00 C ATOM 1015 O VAL A 66 1.631 5.457 6.099 1.00 0.00 O ATOM 1016 CB VAL A 66 1.500 2.928 4.035 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.902 4.104 3.277 1.00 0.00 C ATOM 1018 CG2 VAL A 66 2.219 1.981 3.084 1.00 0.00 C ATOM 0 H VAL A 66 2.894 1.390 5.416 1.00 0.00 H new ATOM 0 HA VAL A 66 3.221 4.057 4.682 1.00 0.00 H new ATOM 0 HB VAL A 66 0.685 2.382 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.227 3.734 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.349 4.739 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.701 4.682 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.526 1.643 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.055 2.501 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.592 1.121 3.640 1.00 0.00 H new ATOM 1028 N GLN A 67 1.042 3.530 7.099 1.00 0.00 N ATOM 1029 CA GLN A 67 0.254 4.183 8.138 1.00 0.00 C ATOM 1030 C GLN A 67 1.119 5.127 8.965 1.00 0.00 C ATOM 1031 O GLN A 67 0.657 6.175 9.418 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.395 3.138 9.048 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.655 2.521 8.464 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.041 1.225 9.151 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.322 0.731 10.018 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.182 0.668 8.764 1.00 0.00 N ATOM 0 H GLN A 67 1.063 2.512 7.163 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.527 4.767 7.652 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.327 2.347 9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.637 3.601 10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.477 3.232 8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.505 2.334 7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.747 1.113 8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.494 -0.205 9.190 1.00 0.00 H new ATOM 1045 N SER A 68 2.378 4.749 9.159 1.00 0.00 N ATOM 1046 CA SER A 68 3.310 5.562 9.933 1.00 0.00 C ATOM 1047 C SER A 68 3.807 6.748 9.113 1.00 0.00 C ATOM 1048 O SER A 68 4.071 7.822 9.653 1.00 0.00 O ATOM 1049 CB SER A 68 4.495 4.711 10.398 1.00 0.00 C ATOM 1050 OG SER A 68 4.686 4.826 11.798 1.00 0.00 O ATOM 0 H SER A 68 2.777 3.885 8.791 1.00 0.00 H new ATOM 0 HA SER A 68 2.783 5.945 10.807 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.323 3.667 10.136 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.399 5.025 9.877 1.00 0.00 H new ATOM 0 HG SER A 68 5.447 4.272 12.071 1.00 0.00 H new ATOM 1056 N LYS A 69 3.933 6.546 7.805 1.00 0.00 N ATOM 1057 CA LYS A 69 4.398 7.599 6.910 1.00 0.00 C ATOM 1058 C LYS A 69 3.460 8.803 6.951 1.00 0.00 C ATOM 1059 O LYS A 69 3.781 9.831 7.549 1.00 0.00 O ATOM 1060 CB LYS A 69 4.506 7.071 5.479 1.00 0.00 C ATOM 1061 CG LYS A 69 5.598 6.030 5.296 1.00 0.00 C ATOM 1062 CD LYS A 69 5.521 5.376 3.927 1.00 0.00 C ATOM 1063 CE LYS A 69 6.059 3.954 3.956 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.487 3.910 4.380 1.00 0.00 N ATOM 0 H LYS A 69 3.719 5.663 7.342 1.00 0.00 H new ATOM 0 HA LYS A 69 5.384 7.918 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.549 6.637 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.696 7.907 4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.574 6.499 5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.509 5.268 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.486 5.367 3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.090 5.966 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.459 3.352 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.960 3.508 2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.978 3.150 3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.941 4.821 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.540 3.728 5.403 1.00 0.00 H new ATOM 1078 N GLY A 70 2.302 8.667 6.314 1.00 0.00 N ATOM 1079 CA GLY A 70 1.338 9.751 6.291 1.00 0.00 C ATOM 1080 C GLY A 70 0.301 9.583 5.197 1.00 0.00 C ATOM 1081 O GLY A 70 0.130 8.491 4.657 1.00 0.00 O ATOM 0 H GLY A 70 2.014 7.826 5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.836 9.807 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.862 10.696 6.148 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.393 10.668 4.872 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.420 10.639 3.837 1.00 0.00 C ATOM 1087 C GLU A 71 -0.793 10.598 2.447 1.00 0.00 C ATOM 1088 O GLU A 71 -1.380 10.062 1.506 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.334 11.860 3.962 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.571 11.609 4.808 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.796 12.327 4.275 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.861 12.562 3.051 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.691 12.654 5.083 1.00 0.00 O ATOM 0 H GLU A 71 -0.263 11.580 5.311 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.012 9.734 3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.768 12.684 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.643 12.176 2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.770 10.538 4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.380 11.934 5.831 1.00 0.00 H new ATOM 1100 N GLU A 72 0.403 11.166 2.323 1.00 0.00 N ATOM 1101 CA GLU A 72 1.108 11.194 1.046 1.00 0.00 C ATOM 1102 C GLU A 72 1.322 9.783 0.508 1.00 0.00 C ATOM 1103 O GLU A 72 1.361 9.570 -0.704 1.00 0.00 O ATOM 1104 CB GLU A 72 2.456 11.901 1.200 1.00 0.00 C ATOM 1105 CG GLU A 72 2.988 12.486 -0.097 1.00 0.00 C ATOM 1106 CD GLU A 72 4.486 12.714 -0.063 1.00 0.00 C ATOM 1107 OE1 GLU A 72 4.949 13.487 0.801 1.00 0.00 O ATOM 1108 OE2 GLU A 72 5.196 12.119 -0.901 1.00 0.00 O ATOM 0 H GLU A 72 0.904 11.613 3.091 1.00 0.00 H new ATOM 0 HA GLU A 72 0.493 11.745 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.356 12.700 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.185 11.193 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.745 11.815 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.485 13.432 -0.298 1.00 0.00 H new ATOM 1115 N VAL A 73 1.457 8.821 1.416 1.00 0.00 N ATOM 1116 CA VAL A 73 1.666 7.431 1.030 1.00 0.00 C ATOM 1117 C VAL A 73 0.394 6.611 1.221 1.00 0.00 C ATOM 1118 O VAL A 73 0.133 5.669 0.472 1.00 0.00 O ATOM 1119 CB VAL A 73 2.804 6.787 1.844 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.141 5.409 1.294 1.00 0.00 C ATOM 1121 CG2 VAL A 73 4.032 7.684 1.845 1.00 0.00 C ATOM 0 H VAL A 73 1.425 8.979 2.423 1.00 0.00 H new ATOM 0 HA VAL A 73 1.940 7.433 -0.025 1.00 0.00 H new ATOM 0 HB VAL A 73 2.468 6.669 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.947 4.970 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.260 4.769 1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.457 5.499 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.826 7.213 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.372 7.836 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.779 8.646 2.290 1.00 0.00 H new ATOM 1131 N SER A 74 -0.395 6.976 2.226 1.00 0.00 N ATOM 1132 CA SER A 74 -1.640 6.274 2.514 1.00 0.00 C ATOM 1133 C SER A 74 -2.622 6.410 1.357 1.00 0.00 C ATOM 1134 O SER A 74 -3.425 5.512 1.101 1.00 0.00 O ATOM 1135 CB SER A 74 -2.270 6.815 3.799 1.00 0.00 C ATOM 1136 OG SER A 74 -3.424 6.075 4.154 1.00 0.00 O ATOM 0 H SER A 74 -0.194 7.754 2.855 1.00 0.00 H new ATOM 0 HA SER A 74 -1.409 5.217 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.543 6.771 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.534 7.864 3.664 1.00 0.00 H new ATOM 0 HG SER A 74 -3.266 5.122 3.987 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.554 7.538 0.658 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.437 7.793 -0.474 1.00 0.00 C ATOM 1144 C GLU A 75 -2.977 7.023 -1.708 1.00 0.00 C ATOM 1145 O GLU A 75 -3.769 6.342 -2.359 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.487 9.289 -0.783 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.717 9.707 -1.573 1.00 0.00 C ATOM 1148 CD GLU A 75 -4.926 11.209 -1.575 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -4.549 11.862 -0.580 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -5.466 11.732 -2.573 1.00 0.00 O ATOM 0 H GLU A 75 -1.895 8.291 0.856 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.437 7.451 -0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.461 9.846 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.594 9.566 -1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.621 9.356 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.597 9.222 -1.151 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.690 7.135 -2.022 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.123 6.450 -3.179 1.00 0.00 C ATOM 1159 C PHE A 76 -1.302 4.940 -3.060 1.00 0.00 C ATOM 1160 O PHE A 76 -1.656 4.268 -4.028 1.00 0.00 O ATOM 1161 CB PHE A 76 0.362 6.790 -3.321 1.00 0.00 C ATOM 1162 CG PHE A 76 1.010 6.162 -4.522 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.642 6.544 -5.802 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.987 5.191 -4.370 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.237 5.969 -6.910 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.585 4.612 -5.473 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.210 5.002 -6.745 1.00 0.00 C ATOM 0 H PHE A 76 -1.020 7.693 -1.492 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.654 6.791 -4.068 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.474 7.872 -3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.888 6.465 -2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.118 7.299 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.284 4.883 -3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.942 6.275 -7.903 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.345 3.856 -5.341 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.677 4.552 -7.608 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.053 4.412 -1.866 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.186 2.981 -1.620 1.00 0.00 C ATOM 1179 C PHE A 77 -2.610 2.510 -1.894 1.00 0.00 C ATOM 1180 O PHE A 77 -2.826 1.556 -2.641 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.797 2.652 -0.177 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.687 1.178 0.094 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.289 0.416 -0.528 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.559 0.555 0.972 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.392 -0.939 -0.281 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.461 -0.800 1.224 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.485 -1.548 0.596 1.00 0.00 C ATOM 0 H PHE A 77 -0.758 4.954 -1.054 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.513 2.458 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.157 3.127 0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.537 3.083 0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.977 0.887 -1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.325 1.135 1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.157 -1.522 -0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.147 -1.273 1.911 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.407 -2.608 0.790 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.579 3.186 -1.285 1.00 0.00 N ATOM 1198 CA LEU A 78 -4.983 2.836 -1.464 1.00 0.00 C ATOM 1199 C LEU A 78 -5.412 3.035 -2.914 1.00 0.00 C ATOM 1200 O LEU A 78 -6.252 2.297 -3.430 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.863 3.680 -0.537 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.212 3.022 0.799 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.732 4.056 1.784 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.238 1.917 0.593 1.00 0.00 C ATOM 0 H LEU A 78 -3.418 3.979 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.105 1.783 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.355 4.624 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.789 3.920 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.306 2.580 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.975 3.569 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.967 4.814 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.627 4.527 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.476 1.458 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.144 2.338 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.830 1.162 -0.079 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.831 4.037 -3.566 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.155 4.331 -4.958 1.00 0.00 C ATOM 1218 C TYR A 79 -4.783 3.162 -5.862 1.00 0.00 C ATOM 1219 O TYR A 79 -5.499 2.847 -6.813 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.429 5.597 -5.415 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.224 6.430 -6.396 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.428 5.995 -7.700 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.770 7.649 -6.018 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -6.154 6.753 -8.599 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.499 8.412 -6.911 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.687 7.961 -8.200 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.411 8.718 -9.092 1.00 0.00 O ATOM 0 H TYR A 79 -4.135 4.658 -3.154 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.231 4.492 -5.029 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.193 6.206 -4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.481 5.317 -5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.013 5.049 -8.016 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.623 8.007 -5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.303 6.401 -9.609 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.919 9.357 -6.600 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.717 9.539 -8.652 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.658 2.521 -5.561 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.192 1.385 -6.347 1.00 0.00 C ATOM 1239 C LEU A 80 -4.216 0.254 -6.332 1.00 0.00 C ATOM 1240 O LEU A 80 -4.387 -0.455 -7.323 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.851 0.882 -5.809 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.647 1.764 -6.141 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.379 1.714 -5.019 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.020 1.334 -7.459 1.00 0.00 C ATOM 0 H LEU A 80 -3.053 2.769 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.061 1.718 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.924 0.787 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.670 -0.117 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.992 2.793 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.228 2.348 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.075 2.070 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.720 0.688 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.836 1.972 -7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.310 0.298 -7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.756 1.424 -8.258 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.894 0.094 -5.200 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.902 -0.949 -5.055 1.00 0.00 C ATOM 1258 C LEU A 81 -7.034 -0.755 -6.059 1.00 0.00 C ATOM 1259 O LEU A 81 -7.658 -1.721 -6.500 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.462 -0.952 -3.632 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.502 -1.469 -2.559 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -5.696 -0.710 -1.253 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.700 -2.964 -2.347 1.00 0.00 C ATOM 0 H LEU A 81 -4.763 0.673 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.426 -1.909 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.759 0.064 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.365 -1.562 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.480 -1.301 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.004 -1.093 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.504 0.350 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.720 -0.843 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.010 -3.317 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.725 -3.154 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.507 -3.493 -3.281 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.296 0.498 -6.415 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.354 0.817 -7.367 1.00 0.00 C ATOM 1277 C GLN A 82 -7.914 0.510 -8.795 1.00 0.00 C ATOM 1278 O GLN A 82 -8.637 -0.137 -9.552 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.748 2.291 -7.249 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.231 2.543 -7.465 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.557 2.913 -8.898 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -10.132 2.241 -9.837 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -11.317 3.989 -9.073 1.00 0.00 N ATOM 0 H GLN A 82 -6.790 1.309 -6.059 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.218 0.196 -7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.466 2.656 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.180 2.870 -7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.792 1.650 -7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.560 3.344 -6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.648 4.517 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.570 4.287 -10.015 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.722 0.977 -9.154 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.186 0.752 -10.491 1.00 0.00 C ATOM 1294 C GLN A 83 -5.895 -0.729 -10.718 1.00 0.00 C ATOM 1295 O GLN A 83 -6.311 -1.307 -11.721 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.911 1.576 -10.696 1.00 0.00 C ATOM 1297 CG GLN A 83 -5.016 2.586 -11.826 1.00 0.00 C ATOM 1298 CD GLN A 83 -4.225 2.174 -13.052 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -4.283 1.022 -13.486 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -3.479 3.115 -13.619 1.00 0.00 N ATOM 0 H GLN A 83 -6.110 1.513 -8.538 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.935 1.070 -11.216 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.675 2.102 -9.771 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.080 0.900 -10.900 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.064 2.712 -12.100 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.659 3.555 -11.477 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.460 4.056 -13.227 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.925 2.896 -14.447 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.178 -1.337 -9.778 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.833 -2.750 -9.874 1.00 0.00 C ATOM 1311 C LEU A 84 -6.059 -3.639 -9.668 1.00 0.00 C ATOM 1312 O LEU A 84 -6.015 -4.840 -9.933 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.755 -3.103 -8.846 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.324 -2.765 -9.266 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.383 -2.847 -8.074 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.862 -3.697 -10.377 1.00 0.00 C ATOM 0 H LEU A 84 -4.825 -0.873 -8.941 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.448 -2.931 -10.878 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.977 -2.581 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.813 -4.171 -8.634 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.308 -1.743 -9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.370 -2.603 -8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.703 -2.140 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.401 -3.857 -7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.842 -3.443 -10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.894 -4.728 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.519 -3.589 -11.240 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.152 -3.045 -9.192 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.384 -3.790 -8.952 1.00 0.00 C ATOM 1330 C ALA A 85 -8.809 -4.574 -10.191 1.00 0.00 C ATOM 1331 O ALA A 85 -9.437 -5.628 -10.085 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.495 -2.844 -8.518 1.00 0.00 C ATOM 0 H ALA A 85 -7.208 -2.052 -8.966 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.194 -4.506 -8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.409 -3.412 -8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.202 -2.335 -7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.671 -2.106 -9.301 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.462 -4.054 -11.363 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.806 -4.706 -12.621 1.00 0.00 C ATOM 1340 C ASP A 86 -8.145 -6.077 -12.721 1.00 0.00 C ATOM 1341 O ASP A 86 -8.785 -7.060 -13.097 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.385 -3.835 -13.805 1.00 0.00 C ATOM 1343 CG ASP A 86 -9.396 -2.750 -14.114 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -9.666 -1.917 -13.222 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -9.920 -2.731 -15.248 1.00 0.00 O ATOM 0 H ASP A 86 -7.943 -3.183 -11.468 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.887 -4.841 -12.647 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.419 -3.377 -13.590 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.251 -4.464 -14.685 1.00 0.00 H new ATOM 1350 N ALA A 87 -6.861 -6.136 -12.385 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.114 -7.386 -12.437 1.00 0.00 C ATOM 1352 C ALA A 87 -6.519 -8.316 -11.299 1.00 0.00 C ATOM 1353 O ALA A 87 -6.537 -9.537 -11.458 1.00 0.00 O ATOM 1354 CB ALA A 87 -4.619 -7.109 -12.388 1.00 0.00 C ATOM 0 H ALA A 87 -6.316 -5.332 -12.074 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.350 -7.883 -13.378 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.073 -8.051 -12.428 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.336 -6.489 -13.239 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.376 -6.587 -11.462 1.00 0.00 H new ATOM 1360 N TYR A 88 -6.844 -7.731 -10.151 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.250 -8.509 -8.986 1.00 0.00 C ATOM 1362 C TYR A 88 -8.701 -8.961 -9.113 1.00 0.00 C ATOM 1363 O TYR A 88 -9.494 -8.344 -9.825 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.071 -7.685 -7.709 1.00 0.00 C ATOM 1365 CG TYR A 88 -5.657 -7.698 -7.174 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -4.675 -6.886 -7.730 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.304 -8.520 -6.112 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.382 -6.896 -7.243 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.012 -8.535 -5.620 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.055 -7.721 -6.189 1.00 0.00 C ATOM 1371 OH TYR A 88 -1.769 -7.732 -5.701 1.00 0.00 O ATOM 0 H TYR A 88 -6.834 -6.722 -10.002 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.616 -9.394 -8.932 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.366 -6.655 -7.907 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.744 -8.068 -6.942 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.927 -6.237 -8.556 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.051 -9.158 -5.663 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.631 -6.260 -7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.753 -9.181 -4.794 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.783 -7.953 -4.746 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.042 -10.042 -8.420 1.00 0.00 N ATOM 1382 CA VAL A 89 -10.397 -10.578 -8.457 1.00 0.00 C ATOM 1383 C VAL A 89 -11.110 -10.364 -7.126 1.00 0.00 C ATOM 1384 O VAL A 89 -12.308 -10.084 -7.091 1.00 0.00 O ATOM 1385 CB VAL A 89 -10.398 -12.083 -8.789 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -11.816 -12.579 -9.020 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -9.524 -12.362 -10.003 1.00 0.00 C ATOM 0 H VAL A 89 -8.398 -10.564 -7.826 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.928 -10.039 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.983 -12.624 -7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.796 -13.644 -9.253 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.410 -12.416 -8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.261 -12.034 -9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.537 -13.430 -10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.907 -11.810 -10.862 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.502 -12.046 -9.795 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.365 -10.496 -6.033 1.00 0.00 N ATOM 1398 CA ASP A 90 -10.927 -10.316 -4.699 1.00 0.00 C ATOM 1399 C ASP A 90 -11.214 -8.844 -4.423 1.00 0.00 C ATOM 1400 O ASP A 90 -12.352 -8.465 -4.148 1.00 0.00 O ATOM 1401 CB ASP A 90 -9.970 -10.868 -3.641 1.00 0.00 C ATOM 1402 CG ASP A 90 -10.259 -12.317 -3.298 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -11.451 -12.688 -3.249 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -9.294 -13.079 -3.080 1.00 0.00 O ATOM 0 H ASP A 90 -9.372 -10.727 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.867 -10.866 -4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.945 -10.780 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.043 -10.262 -2.738 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.176 -8.019 -4.499 1.00 0.00 N ATOM 1410 CA LEU A 91 -10.316 -6.589 -4.256 1.00 0.00 C ATOM 1411 C LEU A 91 -11.100 -5.919 -5.381 1.00 0.00 C ATOM 1412 O LEU A 91 -10.651 -5.879 -6.526 1.00 0.00 O ATOM 1413 CB LEU A 91 -8.940 -5.934 -4.120 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.019 -6.573 -3.079 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -6.566 -6.469 -3.518 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -8.215 -5.916 -1.721 1.00 0.00 C ATOM 0 H LEU A 91 -9.227 -8.317 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.867 -6.458 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.443 -5.964 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.078 -4.883 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.277 -7.628 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.925 -6.929 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.436 -6.984 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.295 -5.420 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.552 -6.382 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.983 -4.853 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.250 -6.041 -1.402 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.272 -5.392 -5.044 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.119 -4.720 -6.023 1.00 0.00 C ATOM 1430 C ARG A 92 -14.373 -4.150 -5.360 1.00 0.00 C ATOM 1431 O ARG A 92 -14.673 -2.966 -5.505 1.00 0.00 O ATOM 1432 CB ARG A 92 -13.506 -5.685 -7.148 1.00 0.00 C ATOM 1433 CG ARG A 92 -12.801 -5.398 -8.465 1.00 0.00 C ATOM 1434 CD ARG A 92 -13.662 -4.548 -9.384 1.00 0.00 C ATOM 1435 NE ARG A 92 -14.865 -5.255 -9.818 1.00 0.00 N ATOM 1436 CZ ARG A 92 -14.857 -6.274 -10.674 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -13.713 -6.708 -11.191 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -15.996 -6.862 -11.016 1.00 0.00 N ATOM 0 H ARG A 92 -12.657 -5.417 -4.100 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.552 -3.893 -6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.276 -6.704 -6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.584 -5.635 -7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.859 -4.885 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.556 -6.338 -8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.947 -3.631 -8.868 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.079 -4.254 -10.257 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.763 -4.950 -9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.834 -6.260 -10.932 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.714 -7.489 -11.847 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -16.878 -6.533 -10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.990 -7.643 -11.672 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.124 -4.987 -4.620 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.345 -4.552 -3.936 1.00 0.00 C ATOM 1454 C PRO A 93 -16.053 -3.553 -2.822 1.00 0.00 C ATOM 1455 O PRO A 93 -16.862 -2.669 -2.537 1.00 0.00 O ATOM 1456 CB PRO A 93 -16.926 -5.849 -3.349 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.202 -6.957 -4.039 1.00 0.00 C ATOM 1458 CD PRO A 93 -14.848 -6.412 -4.388 1.00 0.00 C ATOM 0 HA PRO A 93 -17.026 -4.041 -4.616 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.776 -5.894 -2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.000 -5.913 -3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.116 -7.830 -3.392 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.737 -7.275 -4.934 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.131 -6.559 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -14.433 -6.894 -5.274 1.00 0.00 H new ATOM 1466 N TRP A 94 -14.891 -3.703 -2.194 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.485 -2.818 -1.108 1.00 0.00 C ATOM 1468 C TRP A 94 -14.422 -1.368 -1.579 1.00 0.00 C ATOM 1469 O TRP A 94 -14.912 -0.465 -0.903 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.124 -3.249 -0.558 1.00 0.00 C ATOM 1471 CG TRP A 94 -12.653 -2.411 0.592 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.384 -2.025 1.679 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.345 -1.856 0.769 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.611 -1.264 2.521 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.355 -1.146 1.985 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.167 -1.891 0.018 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.231 -0.477 2.465 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.053 -1.227 0.496 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.092 -0.529 1.710 1.00 0.00 C ATOM 0 H TRP A 94 -14.213 -4.431 -2.419 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.230 -2.889 -0.316 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.183 -4.290 -0.239 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.386 -3.202 -1.358 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.419 -2.281 1.851 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -12.921 -0.853 3.402 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.128 -2.427 -0.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.258 0.063 3.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.137 -1.247 -0.076 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.204 -0.021 2.057 1.00 0.00 H new ATOM 1490 N LEU A 95 -13.813 -1.154 -2.742 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.683 0.187 -3.303 1.00 0.00 C ATOM 1492 C LEU A 95 -15.046 0.864 -3.427 1.00 0.00 C ATOM 1493 O LEU A 95 -15.224 2.004 -3.001 1.00 0.00 O ATOM 1494 CB LEU A 95 -13.006 0.125 -4.674 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.610 -0.501 -4.678 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.285 -1.072 -6.049 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.566 0.526 -4.264 1.00 0.00 C ATOM 0 H LEU A 95 -13.402 -1.892 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.066 0.777 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.644 -0.442 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.935 1.137 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.595 -1.317 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.288 -1.513 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.016 -1.838 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.317 -0.275 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.579 0.065 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.581 1.362 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.789 0.888 -3.260 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.002 0.153 -4.015 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.348 0.685 -4.196 1.00 0.00 C ATOM 1511 C LEU A 96 -18.025 0.925 -2.849 1.00 0.00 C ATOM 1512 O LEU A 96 -18.868 1.812 -2.716 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.190 -0.274 -5.039 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.898 -0.241 -6.540 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.237 -1.579 -7.179 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.675 0.883 -7.208 1.00 0.00 C ATOM 0 H LEU A 96 -15.870 -0.792 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.267 1.639 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.031 -1.289 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.243 -0.041 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.833 -0.054 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.023 -1.537 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.637 -2.364 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.295 -1.796 -7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.456 0.892 -8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.743 0.726 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.384 1.837 -6.769 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.652 0.126 -1.854 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.224 0.253 -0.518 1.00 0.00 C ATOM 1530 C GLU A 97 -17.726 1.518 0.173 1.00 0.00 C ATOM 1531 O GLU A 97 -18.519 2.321 0.665 1.00 0.00 O ATOM 1532 CB GLU A 97 -17.876 -0.975 0.326 1.00 0.00 C ATOM 1533 CG GLU A 97 -18.726 -2.194 0.008 1.00 0.00 C ATOM 1534 CD GLU A 97 -20.025 -2.219 0.789 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -20.089 -1.569 1.855 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -20.978 -2.887 0.337 1.00 0.00 O ATOM 0 H GLU A 97 -16.957 -0.615 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.307 0.322 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -16.826 -1.225 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -17.994 -0.726 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -18.948 -2.209 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -18.157 -3.097 0.228 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.408 1.688 0.207 1.00 0.00 N ATOM 1544 CA ILE A 98 -15.806 2.855 0.839 1.00 0.00 C ATOM 1545 C ILE A 98 -16.004 4.106 -0.010 1.00 0.00 C ATOM 1546 O ILE A 98 -16.230 5.197 0.515 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.298 2.648 1.085 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.566 2.422 -0.240 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.072 1.474 2.027 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.076 2.211 -0.080 1.00 0.00 C ATOM 0 H ILE A 98 -15.738 1.033 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.308 2.987 1.798 1.00 0.00 H new ATOM 0 HB ILE A 98 -13.895 3.547 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.996 1.554 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.735 3.280 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.003 1.340 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -14.564 1.672 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.488 0.568 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.623 2.057 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.633 3.088 0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -11.897 1.335 0.544 1.00 0.00 H new ATOM 1562 N GLY A 99 -15.919 3.941 -1.327 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.091 5.066 -2.228 1.00 0.00 C ATOM 1564 C GLY A 99 -14.816 5.865 -2.406 1.00 0.00 C ATOM 1565 O GLY A 99 -14.663 6.941 -1.827 1.00 0.00 O ATOM 0 H GLY A 99 -15.734 3.049 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.427 4.702 -3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.875 5.719 -1.844 1.00 0.00 H new ATOM 1569 N PHE A 100 -13.897 5.339 -3.208 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.627 6.011 -3.461 1.00 0.00 C ATOM 1571 C PHE A 100 -12.670 6.783 -4.776 1.00 0.00 C ATOM 1572 O PHE A 100 -11.674 6.864 -5.492 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.485 4.992 -3.492 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.218 5.491 -2.858 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.353 6.312 -3.563 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.893 5.138 -1.558 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.186 6.773 -2.983 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.728 5.596 -0.972 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.873 6.414 -1.686 1.00 0.00 C ATOM 0 H PHE A 100 -14.007 4.449 -3.694 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.453 6.719 -2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.805 4.084 -2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.281 4.719 -4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.593 6.595 -4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.557 4.498 -0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -7.520 7.413 -3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.486 5.315 0.042 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.961 6.772 -1.231 1.00 0.00 H new ATOM 1589 N SER A 101 -13.833 7.348 -5.085 1.00 0.00 N ATOM 1590 CA SER A 101 -14.006 8.115 -6.314 1.00 0.00 C ATOM 1591 C SER A 101 -14.837 9.369 -6.060 1.00 0.00 C ATOM 1592 O SER A 101 -15.479 9.499 -5.017 1.00 0.00 O ATOM 1593 CB SER A 101 -14.676 7.254 -7.387 1.00 0.00 C ATOM 1594 OG SER A 101 -13.711 6.547 -8.148 1.00 0.00 O ATOM 0 H SER A 101 -14.668 7.289 -4.503 1.00 0.00 H new ATOM 0 HA SER A 101 -13.020 8.419 -6.665 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.361 6.549 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.272 7.886 -8.046 1.00 0.00 H new ATOM 0 HG SER A 101 -14.164 6.003 -8.826 1.00 0.00 H new ATOM 1600 N SER A 102 -14.820 10.288 -7.019 1.00 0.00 N ATOM 1601 CA SER A 102 -15.573 11.532 -6.899 1.00 0.00 C ATOM 1602 C SER A 102 -15.693 12.229 -8.250 1.00 0.00 C ATOM 1603 O SER A 102 -14.701 12.407 -8.958 1.00 0.00 O ATOM 1604 CB SER A 102 -14.900 12.463 -5.889 1.00 0.00 C ATOM 1605 OG SER A 102 -15.719 13.584 -5.605 1.00 0.00 O ATOM 0 H SER A 102 -14.294 10.196 -7.888 1.00 0.00 H new ATOM 0 HA SER A 102 -16.576 11.288 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.693 11.917 -4.968 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.941 12.800 -6.283 1.00 0.00 H new ATOM 0 HG SER A 102 -15.268 14.163 -4.956 1.00 0.00 H new ATOM 1611 N GLY A 103 -16.912 12.623 -8.601 1.00 0.00 N ATOM 1612 CA GLY A 103 -17.138 13.297 -9.865 1.00 0.00 C ATOM 1613 C GLY A 103 -17.017 14.805 -9.750 1.00 0.00 C ATOM 1614 O GLY A 103 -16.935 15.339 -8.643 1.00 0.00 O ATOM 0 H GLY A 103 -17.748 12.487 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.420 12.933 -10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.131 13.043 -10.236 1.00 0.00 H new ATOM 1618 N PRO A 104 -17.003 15.526 -10.884 1.00 0.00 N ATOM 1619 CA PRO A 104 -16.892 16.988 -10.890 1.00 0.00 C ATOM 1620 C PRO A 104 -18.149 17.667 -10.358 1.00 0.00 C ATOM 1621 O PRO A 104 -19.260 17.367 -10.795 1.00 0.00 O ATOM 1622 CB PRO A 104 -16.687 17.324 -12.369 1.00 0.00 C ATOM 1623 CG PRO A 104 -17.311 16.190 -13.105 1.00 0.00 C ATOM 1624 CD PRO A 104 -17.097 14.972 -12.247 1.00 0.00 C ATOM 0 HA PRO A 104 -16.086 17.337 -10.245 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.159 18.272 -12.629 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -15.628 17.418 -12.611 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -18.373 16.369 -13.270 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -16.853 16.062 -14.086 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -17.923 14.266 -12.338 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -16.189 14.438 -12.527 1.00 0.00 H new ATOM 1632 N SER A 105 -17.966 18.583 -9.413 1.00 0.00 N ATOM 1633 CA SER A 105 -19.087 19.306 -8.823 1.00 0.00 C ATOM 1634 C SER A 105 -18.594 20.441 -7.930 1.00 0.00 C ATOM 1635 O SER A 105 -19.138 21.544 -7.956 1.00 0.00 O ATOM 1636 CB SER A 105 -19.966 18.351 -8.012 1.00 0.00 C ATOM 1637 OG SER A 105 -19.181 17.381 -7.340 1.00 0.00 O ATOM 0 H SER A 105 -17.053 18.842 -9.039 1.00 0.00 H new ATOM 0 HA SER A 105 -19.677 19.735 -9.633 1.00 0.00 H new ATOM 0 HB2 SER A 105 -20.550 18.917 -7.286 1.00 0.00 H new ATOM 0 HB3 SER A 105 -20.675 17.854 -8.674 1.00 0.00 H new ATOM 0 HG SER A 105 -19.766 16.784 -6.828 1.00 0.00 H new ATOM 1643 N SER A 106 -17.560 20.161 -7.144 1.00 0.00 N ATOM 1644 CA SER A 106 -16.993 21.159 -6.243 1.00 0.00 C ATOM 1645 C SER A 106 -15.489 20.958 -6.088 1.00 0.00 C ATOM 1646 O SER A 106 -14.914 20.029 -6.655 1.00 0.00 O ATOM 1647 CB SER A 106 -17.673 21.087 -4.875 1.00 0.00 C ATOM 1648 OG SER A 106 -17.840 22.380 -4.320 1.00 0.00 O ATOM 0 H SER A 106 -17.098 19.252 -7.112 1.00 0.00 H new ATOM 0 HA SER A 106 -17.168 22.144 -6.675 1.00 0.00 H new ATOM 0 HB2 SER A 106 -18.644 20.602 -4.973 1.00 0.00 H new ATOM 0 HB3 SER A 106 -17.076 20.473 -4.201 1.00 0.00 H new ATOM 0 HG SER A 106 -18.278 22.307 -3.447 1.00 0.00 H new ATOM 1654 N GLY A 107 -14.857 21.836 -5.315 1.00 0.00 N ATOM 1655 CA GLY A 107 -13.426 21.738 -5.099 1.00 0.00 C ATOM 1656 C GLY A 107 -12.729 23.081 -5.206 1.00 0.00 C ATOM 1657 O GLY A 107 -12.714 23.823 -4.201 1.00 0.00 O ATOM 1658 OXT GLY A 107 -12.199 23.390 -6.294 1.00 0.00 O ATOM 0 H GLY A 107 -15.311 22.613 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.239 21.313 -4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.998 21.051 -5.829 1.00 0.00 H new TER 1662 GLY A 107