USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= 1.09 K(o=7.2,f=-3.2!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -108:sc= 2.34 (180deg=0.196) USER MOD Set 1.3: A 67 TYR OH : rot 150:sc= 2.05 USER MOD Set 1.4: A 110 HEC O2A : rot -130:sc= 0.684 USER MOD Set 1.5: A 110 HEC O2D : rot 160:sc= 1.01 USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0991 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.245 X(o=-0.25,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 19 THR OG1 : rot -130:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.0876 (180deg=-0.695!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.19) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.398 K(o=0.4,f=-6.6!) USER MOD Single : A 33 HIS : no HD1:sc= -0.478 K(o=-0.48,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 108:sc= 1.51 USER MOD Single : A 42 GLN : amide:sc= -0.472 K(o=-0.47,f=-2.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.435 USER MOD Single : A 48 TYR OH : rot -73:sc= 0.12 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -161:sc= 1.16 (180deg=0.742) USER MOD Single : A 63 THR OG1 : rot 111:sc= 0.968 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.92) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 123:sc= 1.28 USER MOD Single : A 78 THR OG1 : rot 87:sc= -0.0732 USER MOD Single : A 79 LYS NZ :NH3+ 149:sc= -0.729 (180deg=-2.08!) USER MOD Single : A 80 MET CE :methyl 160:sc= 0 (180deg=-0.181) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -158:sc= 0.945 (180deg=0.103) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -81:sc= 1.23 USER MOD Single : A 103 ASN : amide:sc= -0.321 K(o=-0.32,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.407 -4.031 -15.607 1.00 10.00 N ATOM 2 CA GLY A 1 -4.038 -4.004 -15.131 1.00 10.00 C ATOM 3 C GLY A 1 -3.469 -5.389 -15.420 1.00 10.00 C ATOM 4 O GLY A 1 -4.175 -6.380 -15.243 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.034 -3.627 -14.882 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.482 -3.472 -16.481 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.688 -5.014 -15.800 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.462 -3.231 -15.640 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.999 -3.780 -14.065 1.00 10.00 H new ATOM 10 N ASP A 2 -2.263 -5.443 -15.954 1.00 10.00 N ATOM 11 CA ASP A 2 -1.492 -6.662 -16.156 1.00 10.00 C ATOM 12 C ASP A 2 -1.098 -7.262 -14.799 1.00 10.00 C ATOM 13 O ASP A 2 -0.380 -6.626 -14.032 1.00 10.00 O ATOM 14 CB ASP A 2 -0.235 -6.321 -16.963 1.00 10.00 C ATOM 15 CG ASP A 2 0.488 -7.558 -17.465 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.590 -8.517 -16.669 1.00 10.00 O ATOM 17 OD2 ASP A 2 0.986 -7.508 -18.608 1.00 10.00 O ATOM 0 H ASP A 2 -1.772 -4.608 -16.272 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.091 -7.393 -16.698 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.511 -5.696 -17.812 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.443 -5.735 -16.343 1.00 10.00 H new ATOM 22 N VAL A 3 -1.543 -8.481 -14.490 1.00 10.00 N ATOM 23 CA VAL A 3 -1.139 -9.182 -13.273 1.00 10.00 C ATOM 24 C VAL A 3 0.354 -9.524 -13.316 1.00 10.00 C ATOM 25 O VAL A 3 1.044 -9.406 -12.303 1.00 10.00 O ATOM 26 CB VAL A 3 -1.995 -10.452 -13.093 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.553 -11.287 -11.880 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.475 -10.086 -12.921 1.00 10.00 C ATOM 0 H VAL A 3 -2.192 -9.008 -15.075 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.304 -8.529 -12.416 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.855 -11.049 -13.994 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.186 -12.170 -11.796 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.515 -11.595 -12.009 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.644 -10.688 -10.974 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.063 -10.995 -12.795 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.593 -9.453 -12.041 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.822 -9.549 -13.804 1.00 10.00 H new ATOM 38 N GLU A 4 0.858 -9.976 -14.466 1.00 10.00 N ATOM 39 CA GLU A 4 2.243 -10.396 -14.583 1.00 10.00 C ATOM 40 C GLU A 4 3.128 -9.171 -14.429 1.00 10.00 C ATOM 41 O GLU A 4 3.980 -9.123 -13.542 1.00 10.00 O ATOM 42 CB GLU A 4 2.494 -11.104 -15.923 1.00 10.00 C ATOM 43 CG GLU A 4 2.387 -12.629 -15.768 1.00 10.00 C ATOM 44 CD GLU A 4 3.557 -13.205 -14.968 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.655 -13.288 -15.558 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.355 -13.522 -13.772 1.00 10.00 O ATOM 0 H GLU A 4 0.320 -10.058 -15.329 1.00 10.00 H new ATOM 0 HA GLU A 4 2.479 -11.116 -13.800 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.771 -10.758 -16.662 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.483 -10.841 -16.298 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.450 -12.878 -15.271 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.358 -13.093 -16.754 1.00 10.00 H new ATOM 53 N LYS A 5 2.915 -8.153 -15.262 1.00 10.00 N ATOM 54 CA LYS A 5 3.692 -6.941 -15.106 1.00 10.00 C ATOM 55 C LYS A 5 3.469 -6.346 -13.723 1.00 10.00 C ATOM 56 O LYS A 5 4.444 -5.998 -13.072 1.00 10.00 O ATOM 57 CB LYS A 5 3.552 -5.955 -16.266 1.00 10.00 C ATOM 58 CG LYS A 5 4.241 -6.511 -17.520 1.00 10.00 C ATOM 59 CD LYS A 5 4.851 -5.398 -18.379 1.00 10.00 C ATOM 60 CE LYS A 5 3.763 -4.516 -19.008 1.00 10.00 C ATOM 61 NZ LYS A 5 4.246 -3.866 -20.243 1.00 10.00 N ATOM 0 H LYS A 5 2.235 -8.147 -16.023 1.00 10.00 H new ATOM 0 HA LYS A 5 4.746 -7.212 -15.163 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.497 -5.772 -16.472 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.994 -4.997 -15.994 1.00 10.00 H new ATOM 0 HG2 LYS A 5 5.023 -7.211 -17.224 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.518 -7.072 -18.113 1.00 10.00 H new ATOM 0 HD2 LYS A 5 5.511 -4.783 -17.766 1.00 10.00 H new ATOM 0 HD3 LYS A 5 5.465 -5.838 -19.165 1.00 10.00 H new ATOM 0 HE2 LYS A 5 2.886 -5.122 -19.233 1.00 10.00 H new ATOM 0 HE3 LYS A 5 3.450 -3.755 -18.293 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 3.489 -3.277 -20.644 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 5.069 -3.269 -20.022 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 4.521 -4.593 -20.933 1.00 10.00 H new ATOM 75 N GLY A 6 2.237 -6.323 -13.218 1.00 10.00 N ATOM 76 CA GLY A 6 1.951 -5.943 -11.844 1.00 10.00 C ATOM 77 C GLY A 6 2.863 -6.634 -10.822 1.00 10.00 C ATOM 78 O GLY A 6 3.383 -5.984 -9.912 1.00 10.00 O ATOM 0 H GLY A 6 1.407 -6.570 -13.757 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.057 -4.863 -11.743 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.913 -6.184 -11.616 1.00 10.00 H new ATOM 82 N LYS A 7 3.064 -7.949 -10.966 1.00 10.00 N ATOM 83 CA LYS A 7 3.887 -8.748 -10.080 1.00 10.00 C ATOM 84 C LYS A 7 5.291 -8.169 -10.118 1.00 10.00 C ATOM 85 O LYS A 7 5.886 -7.872 -9.083 1.00 10.00 O ATOM 86 CB LYS A 7 3.816 -10.218 -10.532 1.00 10.00 C ATOM 87 CG LYS A 7 4.563 -11.209 -9.635 1.00 10.00 C ATOM 88 CD LYS A 7 4.497 -12.607 -10.277 1.00 10.00 C ATOM 89 CE LYS A 7 4.239 -13.699 -9.229 1.00 10.00 C ATOM 90 NZ LYS A 7 4.206 -15.046 -9.838 1.00 10.00 N ATOM 0 H LYS A 7 2.645 -8.490 -11.722 1.00 10.00 H new ATOM 0 HA LYS A 7 3.542 -8.723 -9.046 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.769 -10.516 -10.584 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.218 -10.291 -11.542 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.601 -10.899 -9.512 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.116 -11.229 -8.641 1.00 10.00 H new ATOM 0 HD2 LYS A 7 3.706 -12.627 -11.026 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.433 -12.814 -10.796 1.00 10.00 H new ATOM 0 HE2 LYS A 7 5.018 -13.663 -8.467 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.292 -13.504 -8.726 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.030 -15.757 -9.099 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.446 -15.088 -10.547 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.119 -15.242 -10.296 1.00 10.00 H new ATOM 104 N LYS A 8 5.825 -7.988 -11.327 1.00 10.00 N ATOM 105 CA LYS A 8 7.185 -7.508 -11.455 1.00 10.00 C ATOM 106 C LYS A 8 7.306 -6.060 -10.971 1.00 10.00 C ATOM 107 O LYS A 8 8.300 -5.700 -10.349 1.00 10.00 O ATOM 108 CB LYS A 8 7.741 -7.708 -12.872 1.00 10.00 C ATOM 109 CG LYS A 8 7.345 -9.035 -13.538 1.00 10.00 C ATOM 110 CD LYS A 8 7.500 -10.291 -12.664 1.00 10.00 C ATOM 111 CE LYS A 8 8.970 -10.719 -12.551 1.00 10.00 C ATOM 112 NZ LYS A 8 9.161 -11.802 -11.563 1.00 10.00 N ATOM 0 H LYS A 8 5.343 -8.164 -12.208 1.00 10.00 H new ATOM 0 HA LYS A 8 7.812 -8.116 -10.803 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.399 -6.886 -13.501 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.829 -7.648 -12.832 1.00 10.00 H new ATOM 0 HG2 LYS A 8 6.306 -8.964 -13.859 1.00 10.00 H new ATOM 0 HG3 LYS A 8 7.948 -9.163 -14.437 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.099 -10.095 -11.669 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.914 -11.106 -13.089 1.00 10.00 H new ATOM 0 HE2 LYS A 8 9.326 -11.052 -13.526 1.00 10.00 H new ATOM 0 HE3 LYS A 8 9.576 -9.859 -12.267 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 10.168 -12.059 -11.520 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 8.846 -11.477 -10.627 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 8.604 -12.633 -11.847 1.00 10.00 H new ATOM 126 N ILE A 9 6.301 -5.224 -11.236 1.00 10.00 N ATOM 127 CA ILE A 9 6.253 -3.852 -10.782 1.00 10.00 C ATOM 128 C ILE A 9 6.361 -3.853 -9.263 1.00 10.00 C ATOM 129 O ILE A 9 7.287 -3.251 -8.738 1.00 10.00 O ATOM 130 CB ILE A 9 4.982 -3.162 -11.310 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.086 -2.938 -12.830 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.750 -1.808 -10.636 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.740 -2.539 -13.437 1.00 10.00 C ATOM 0 H ILE A 9 5.485 -5.497 -11.784 1.00 10.00 H new ATOM 0 HA ILE A 9 7.088 -3.272 -11.176 1.00 10.00 H new ATOM 0 HB ILE A 9 4.144 -3.820 -11.080 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.822 -2.160 -13.034 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.445 -3.849 -13.308 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.844 -1.353 -11.036 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.641 -1.951 -9.561 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.600 -1.154 -10.831 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.855 -2.390 -14.511 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.011 -3.329 -13.256 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.394 -1.613 -12.977 1.00 10.00 H new ATOM 145 N PHE A 10 5.465 -4.543 -8.557 1.00 10.00 N ATOM 146 CA PHE A 10 5.525 -4.647 -7.103 1.00 10.00 C ATOM 147 C PHE A 10 6.954 -4.956 -6.620 1.00 10.00 C ATOM 148 O PHE A 10 7.475 -4.294 -5.718 1.00 10.00 O ATOM 149 CB PHE A 10 4.523 -5.712 -6.654 1.00 10.00 C ATOM 150 CG PHE A 10 4.501 -5.946 -5.162 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.681 -5.155 -4.336 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.257 -6.996 -4.608 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.576 -5.447 -2.967 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.156 -7.283 -3.238 1.00 10.00 C ATOM 155 CZ PHE A 10 4.310 -6.514 -2.425 1.00 10.00 C ATOM 0 H PHE A 10 4.681 -5.043 -8.977 1.00 10.00 H new ATOM 0 HA PHE A 10 5.257 -3.691 -6.652 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.525 -5.418 -6.980 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.758 -6.651 -7.155 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.133 -4.324 -4.755 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.914 -7.580 -5.236 1.00 10.00 H new ATOM 0 HE1 PHE A 10 2.933 -4.854 -2.334 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.728 -8.093 -2.811 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.223 -6.745 -1.374 1.00 10.00 H new ATOM 165 N VAL A 11 7.603 -5.927 -7.272 1.00 10.00 N ATOM 166 CA VAL A 11 8.969 -6.346 -6.966 1.00 10.00 C ATOM 167 C VAL A 11 10.015 -5.268 -7.297 1.00 10.00 C ATOM 168 O VAL A 11 11.086 -5.238 -6.697 1.00 10.00 O ATOM 169 CB VAL A 11 9.280 -7.671 -7.679 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.723 -8.138 -7.445 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.350 -8.766 -7.157 1.00 10.00 C ATOM 0 H VAL A 11 7.183 -6.451 -8.040 1.00 10.00 H new ATOM 0 HA VAL A 11 9.032 -6.498 -5.888 1.00 10.00 H new ATOM 0 HB VAL A 11 9.136 -7.495 -8.745 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.891 -9.078 -7.970 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.415 -7.384 -7.821 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.890 -8.284 -6.378 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.573 -9.705 -7.664 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.499 -8.889 -6.084 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.314 -8.486 -7.350 1.00 10.00 H new ATOM 181 N GLN A 12 9.746 -4.401 -8.269 1.00 10.00 N ATOM 182 CA GLN A 12 10.672 -3.348 -8.675 1.00 10.00 C ATOM 183 C GLN A 12 10.380 -2.017 -7.976 1.00 10.00 C ATOM 184 O GLN A 12 11.215 -1.117 -8.003 1.00 10.00 O ATOM 185 CB GLN A 12 10.614 -3.202 -10.196 1.00 10.00 C ATOM 186 CG GLN A 12 11.182 -4.460 -10.863 1.00 10.00 C ATOM 187 CD GLN A 12 11.060 -4.359 -12.378 1.00 10.00 C ATOM 188 OE1 GLN A 12 11.650 -3.484 -13.002 1.00 10.00 O ATOM 189 NE2 GLN A 12 10.260 -5.230 -12.981 1.00 10.00 N ATOM 0 H GLN A 12 8.875 -4.409 -8.800 1.00 10.00 H new ATOM 0 HA GLN A 12 11.680 -3.632 -8.371 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.584 -3.044 -10.516 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.183 -2.326 -10.508 1.00 10.00 H new ATOM 0 HG2 GLN A 12 12.228 -4.587 -10.584 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.648 -5.341 -10.507 1.00 10.00 H new ATOM 0 HE21 GLN A 12 9.783 -5.947 -12.435 1.00 10.00 H new ATOM 0 HE22 GLN A 12 10.123 -5.182 -13.991 1.00 10.00 H new ATOM 198 N LYS A 13 9.183 -1.861 -7.409 1.00 10.00 N ATOM 199 CA LYS A 13 8.709 -0.625 -6.804 1.00 10.00 C ATOM 200 C LYS A 13 8.793 -0.689 -5.279 1.00 10.00 C ATOM 201 O LYS A 13 9.179 0.297 -4.654 1.00 10.00 O ATOM 202 CB LYS A 13 7.262 -0.372 -7.243 1.00 10.00 C ATOM 203 CG LYS A 13 7.113 0.377 -8.575 1.00 10.00 C ATOM 204 CD LYS A 13 7.932 -0.192 -9.736 1.00 10.00 C ATOM 205 CE LYS A 13 7.704 0.607 -11.025 1.00 10.00 C ATOM 206 NZ LYS A 13 8.119 -0.171 -12.212 1.00 10.00 N ATOM 0 H LYS A 13 8.499 -2.616 -7.359 1.00 10.00 H new ATOM 0 HA LYS A 13 9.345 0.195 -7.138 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.749 -1.330 -7.322 1.00 10.00 H new ATOM 0 HB3 LYS A 13 6.755 0.197 -6.464 1.00 10.00 H new ATOM 0 HG2 LYS A 13 6.061 0.376 -8.859 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.401 1.417 -8.423 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.991 -0.176 -9.479 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.659 -1.235 -9.899 1.00 10.00 H new ATOM 0 HE2 LYS A 13 6.650 0.873 -11.110 1.00 10.00 H new ATOM 0 HE3 LYS A 13 8.266 1.540 -10.983 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 7.954 0.392 -13.071 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 9.130 -0.403 -12.139 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 7.565 -1.050 -12.262 1.00 10.00 H new ATOM 220 N CYS A 14 8.371 -1.808 -4.681 1.00 10.00 N ATOM 221 CA CYS A 14 8.111 -1.884 -3.248 1.00 10.00 C ATOM 222 C CYS A 14 8.948 -3.023 -2.643 1.00 10.00 C ATOM 223 O CYS A 14 9.909 -2.761 -1.925 1.00 10.00 O ATOM 224 CB CYS A 14 6.615 -1.997 -2.984 1.00 10.00 C ATOM 225 SG CYS A 14 5.548 -1.338 -4.331 1.00 10.00 S ATOM 0 H CYS A 14 8.202 -2.682 -5.179 1.00 10.00 H new ATOM 0 HA CYS A 14 8.423 -0.967 -2.748 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.366 -3.046 -2.821 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.381 -1.467 -2.061 1.00 10.00 H new ATOM 230 N ALA A 15 8.610 -4.276 -2.972 1.00 10.00 N ATOM 231 CA ALA A 15 9.321 -5.517 -2.641 1.00 10.00 C ATOM 232 C ALA A 15 9.921 -5.613 -1.233 1.00 10.00 C ATOM 233 O ALA A 15 9.360 -6.268 -0.359 1.00 10.00 O ATOM 234 CB ALA A 15 10.377 -5.806 -3.709 1.00 10.00 C ATOM 0 H ALA A 15 7.769 -4.463 -3.518 1.00 10.00 H new ATOM 0 HA ALA A 15 8.548 -6.285 -2.634 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.903 -6.728 -3.460 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.893 -5.915 -4.679 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.089 -4.982 -3.749 1.00 10.00 H new ATOM 240 N GLN A 16 11.070 -4.981 -0.983 1.00 10.00 N ATOM 241 CA GLN A 16 11.727 -4.972 0.313 1.00 10.00 C ATOM 242 C GLN A 16 11.020 -3.961 1.218 1.00 10.00 C ATOM 243 O GLN A 16 11.644 -3.083 1.810 1.00 10.00 O ATOM 244 CB GLN A 16 13.220 -4.673 0.122 1.00 10.00 C ATOM 245 CG GLN A 16 13.989 -5.921 -0.332 1.00 10.00 C ATOM 246 CD GLN A 16 15.489 -5.648 -0.441 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.904 -4.573 -0.856 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.323 -6.610 -0.055 1.00 10.00 N ATOM 0 H GLN A 16 11.575 -4.452 -1.695 1.00 10.00 H new ATOM 0 HA GLN A 16 11.660 -5.945 0.800 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.342 -3.880 -0.616 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.641 -4.305 1.058 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.817 -6.733 0.375 1.00 10.00 H new ATOM 0 HG3 GLN A 16 13.608 -6.253 -1.298 1.00 10.00 H new ATOM 0 HE21 GLN A 16 15.955 -7.497 0.287 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.331 -6.460 -0.101 1.00 10.00 H new ATOM 257 N CYS A 17 9.704 -4.129 1.344 1.00 10.00 N ATOM 258 CA CYS A 17 8.849 -3.399 2.256 1.00 10.00 C ATOM 259 C CYS A 17 7.478 -4.061 2.326 1.00 10.00 C ATOM 260 O CYS A 17 6.898 -4.076 3.397 1.00 10.00 O ATOM 261 CB CYS A 17 8.751 -1.925 1.925 1.00 10.00 C ATOM 262 SG CYS A 17 9.265 -0.982 3.401 1.00 10.00 S ATOM 0 H CYS A 17 9.190 -4.810 0.785 1.00 10.00 H new ATOM 0 HA CYS A 17 9.309 -3.442 3.243 1.00 10.00 H new ATOM 0 HB2 CYS A 17 9.389 -1.682 1.076 1.00 10.00 H new ATOM 0 HB3 CYS A 17 7.731 -1.665 1.642 1.00 10.00 H new ATOM 267 N HIS A 18 6.945 -4.622 1.236 1.00 10.00 N ATOM 268 CA HIS A 18 5.692 -5.353 1.282 1.00 10.00 C ATOM 269 C HIS A 18 5.869 -6.723 0.664 1.00 10.00 C ATOM 270 O HIS A 18 6.609 -6.883 -0.300 1.00 10.00 O ATOM 271 CB HIS A 18 4.630 -4.589 0.511 1.00 10.00 C ATOM 272 CG HIS A 18 4.158 -3.370 1.240 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.543 -3.330 2.473 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.243 -2.096 0.761 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.244 -2.041 2.705 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.653 -1.249 1.694 1.00 10.00 N ATOM 0 H HIS A 18 7.371 -4.579 0.310 1.00 10.00 H new ATOM 0 HA HIS A 18 5.384 -5.464 2.322 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.031 -4.296 -0.459 1.00 10.00 H new ATOM 0 HB3 HIS A 18 3.781 -5.246 0.320 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.353 -4.122 3.087 1.00 10.00 H new ATOM 0 HD2 HIS A 18 4.689 -1.797 -0.176 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.739 -1.684 3.591 1.00 10.00 H new ATOM 284 N THR A 19 5.133 -7.693 1.204 1.00 10.00 N ATOM 285 CA THR A 19 5.164 -9.069 0.747 1.00 10.00 C ATOM 286 C THR A 19 3.843 -9.452 0.088 1.00 10.00 C ATOM 287 O THR A 19 3.842 -10.069 -0.970 1.00 10.00 O ATOM 288 CB THR A 19 5.475 -9.980 1.933 1.00 10.00 C ATOM 289 OG1 THR A 19 6.514 -9.464 2.746 1.00 10.00 O ATOM 290 CG2 THR A 19 5.922 -11.335 1.412 1.00 10.00 C ATOM 0 H THR A 19 4.492 -7.536 1.982 1.00 10.00 H new ATOM 0 HA THR A 19 5.944 -9.185 -0.005 1.00 10.00 H new ATOM 0 HB THR A 19 4.568 -10.055 2.533 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.184 -10.162 2.903 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.146 -11.992 2.252 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.126 -11.774 0.810 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.815 -11.213 0.799 1.00 10.00 H new ATOM 298 N VAL A 20 2.734 -9.099 0.743 1.00 10.00 N ATOM 299 CA VAL A 20 1.373 -9.416 0.341 1.00 10.00 C ATOM 300 C VAL A 20 1.176 -10.918 0.174 1.00 10.00 C ATOM 301 O VAL A 20 0.480 -11.347 -0.737 1.00 10.00 O ATOM 302 CB VAL A 20 0.897 -8.597 -0.878 1.00 10.00 C ATOM 303 CG1 VAL A 20 0.990 -7.101 -0.583 1.00 10.00 C ATOM 304 CG2 VAL A 20 1.565 -8.864 -2.231 1.00 10.00 C ATOM 0 H VAL A 20 2.769 -8.559 1.608 1.00 10.00 H new ATOM 0 HA VAL A 20 0.720 -9.106 1.157 1.00 10.00 H new ATOM 0 HB VAL A 20 -0.128 -8.946 -1.005 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.651 -6.537 -1.452 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.362 -6.859 0.274 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.024 -6.838 -0.360 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.126 -8.214 -2.988 1.00 10.00 H new ATOM 0 HG22 VAL A 20 2.634 -8.662 -2.155 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.411 -9.906 -2.513 1.00 10.00 H new ATOM 314 N GLU A 21 1.776 -11.711 1.067 1.00 10.00 N ATOM 315 CA GLU A 21 1.781 -13.151 0.958 1.00 10.00 C ATOM 316 C GLU A 21 1.767 -13.764 2.354 1.00 10.00 C ATOM 317 O GLU A 21 2.258 -13.154 3.303 1.00 10.00 O ATOM 318 CB GLU A 21 3.015 -13.580 0.156 1.00 10.00 C ATOM 319 CG GLU A 21 2.655 -14.760 -0.739 1.00 10.00 C ATOM 320 CD GLU A 21 3.865 -15.251 -1.520 1.00 10.00 C ATOM 321 OE1 GLU A 21 4.633 -16.035 -0.923 1.00 10.00 O ATOM 322 OE2 GLU A 21 4.014 -14.820 -2.685 1.00 10.00 O ATOM 0 H GLU A 21 2.271 -11.358 1.886 1.00 10.00 H new ATOM 0 HA GLU A 21 0.893 -13.504 0.434 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.376 -12.748 -0.449 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.824 -13.857 0.833 1.00 10.00 H new ATOM 0 HG2 GLU A 21 2.258 -15.573 -0.131 1.00 10.00 H new ATOM 0 HG3 GLU A 21 1.867 -14.466 -1.432 1.00 10.00 H new ATOM 329 N LYS A 22 1.198 -14.963 2.485 1.00 10.00 N ATOM 330 CA LYS A 22 1.036 -15.686 3.745 1.00 10.00 C ATOM 331 C LYS A 22 2.396 -16.172 4.251 1.00 10.00 C ATOM 332 O LYS A 22 2.734 -17.351 4.192 1.00 10.00 O ATOM 333 CB LYS A 22 0.078 -16.875 3.597 1.00 10.00 C ATOM 334 CG LYS A 22 -1.391 -16.532 3.358 1.00 10.00 C ATOM 335 CD LYS A 22 -1.602 -15.931 1.969 1.00 10.00 C ATOM 336 CE LYS A 22 -2.982 -16.310 1.410 1.00 10.00 C ATOM 337 NZ LYS A 22 -2.876 -17.417 0.436 1.00 10.00 N ATOM 0 H LYS A 22 0.824 -15.475 1.686 1.00 10.00 H new ATOM 0 HA LYS A 22 0.603 -14.996 4.469 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.425 -17.493 2.769 1.00 10.00 H new ATOM 0 HB3 LYS A 22 0.145 -17.484 4.499 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -1.998 -17.431 3.464 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -1.730 -15.827 4.117 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -1.512 -14.846 2.021 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -0.823 -16.284 1.294 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -3.641 -16.603 2.227 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -3.435 -15.442 0.931 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -3.753 -17.475 -0.121 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -2.072 -17.243 -0.201 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -2.728 -18.313 0.943 1.00 10.00 H new ATOM 351 N GLY A 23 3.161 -15.217 4.756 1.00 10.00 N ATOM 352 CA GLY A 23 4.540 -15.391 5.199 1.00 10.00 C ATOM 353 C GLY A 23 5.326 -14.086 5.293 1.00 10.00 C ATOM 354 O GLY A 23 6.379 -14.071 5.931 1.00 10.00 O ATOM 0 H GLY A 23 2.827 -14.260 4.874 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.540 -15.875 6.176 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.051 -16.063 4.510 1.00 10.00 H new ATOM 358 N GLY A 24 4.850 -12.994 4.681 1.00 10.00 N ATOM 359 CA GLY A 24 5.471 -11.697 4.869 1.00 10.00 C ATOM 360 C GLY A 24 5.681 -11.395 6.345 1.00 10.00 C ATOM 361 O GLY A 24 4.765 -11.532 7.156 1.00 10.00 O ATOM 0 H GLY A 24 4.042 -12.992 4.058 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.429 -11.671 4.350 1.00 10.00 H new ATOM 0 HA3 GLY A 24 4.846 -10.924 4.422 1.00 10.00 H new ATOM 365 N LYS A 25 6.907 -11.000 6.677 1.00 10.00 N ATOM 366 CA LYS A 25 7.285 -10.645 8.028 1.00 10.00 C ATOM 367 C LYS A 25 6.895 -9.189 8.287 1.00 10.00 C ATOM 368 O LYS A 25 6.249 -8.555 7.454 1.00 10.00 O ATOM 369 CB LYS A 25 8.783 -10.915 8.206 1.00 10.00 C ATOM 370 CG LYS A 25 9.129 -12.340 7.742 1.00 10.00 C ATOM 371 CD LYS A 25 10.505 -12.740 8.289 1.00 10.00 C ATOM 372 CE LYS A 25 10.932 -14.102 7.723 1.00 10.00 C ATOM 373 NZ LYS A 25 11.958 -14.757 8.561 1.00 10.00 N ATOM 0 H LYS A 25 7.669 -10.919 6.004 1.00 10.00 H new ATOM 0 HA LYS A 25 6.759 -11.250 8.767 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.361 -10.189 7.634 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.060 -10.789 9.253 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.370 -13.041 8.090 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.131 -12.388 6.653 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.243 -11.982 8.025 1.00 10.00 H new ATOM 0 HD3 LYS A 25 10.471 -12.786 9.377 1.00 10.00 H new ATOM 0 HE2 LYS A 25 10.060 -14.751 7.646 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.321 -13.968 6.713 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 12.216 -15.673 8.141 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 12.801 -14.151 8.615 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 11.580 -14.909 9.518 1.00 10.00 H new ATOM 387 N HIS A 26 7.280 -8.660 9.449 1.00 10.00 N ATOM 388 CA HIS A 26 6.848 -7.334 9.864 1.00 10.00 C ATOM 389 C HIS A 26 7.618 -6.268 9.082 1.00 10.00 C ATOM 390 O HIS A 26 7.031 -5.531 8.301 1.00 10.00 O ATOM 391 CB HIS A 26 6.986 -7.157 11.393 1.00 10.00 C ATOM 392 CG HIS A 26 6.970 -8.441 12.190 1.00 10.00 C ATOM 393 ND1 HIS A 26 8.071 -9.049 12.753 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.896 -9.271 12.380 1.00 10.00 C ATOM 395 CE1 HIS A 26 7.665 -10.219 13.274 1.00 10.00 C ATOM 396 NE2 HIS A 26 6.352 -10.402 13.063 1.00 10.00 N ATOM 0 H HIS A 26 7.890 -9.133 10.116 1.00 10.00 H new ATOM 0 HA HIS A 26 5.789 -7.215 9.634 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.918 -6.631 11.600 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.175 -6.519 11.744 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.881 -9.085 12.060 1.00 10.00 H new ATOM 0 HE1 HIS A 26 8.307 -10.917 13.792 1.00 10.00 H new ATOM 0 HE2 HIS A 26 5.796 -11.209 13.346 1.00 10.00 H new ATOM 404 N LYS A 27 8.939 -6.210 9.294 1.00 10.00 N ATOM 405 CA LYS A 27 9.837 -5.204 8.732 1.00 10.00 C ATOM 406 C LYS A 27 9.235 -3.785 8.797 1.00 10.00 C ATOM 407 O LYS A 27 8.480 -3.485 9.719 1.00 10.00 O ATOM 408 CB LYS A 27 10.361 -5.649 7.355 1.00 10.00 C ATOM 409 CG LYS A 27 11.041 -7.022 7.486 1.00 10.00 C ATOM 410 CD LYS A 27 11.907 -7.385 6.270 1.00 10.00 C ATOM 411 CE LYS A 27 13.345 -6.855 6.412 1.00 10.00 C ATOM 412 NZ LYS A 27 14.236 -7.356 5.343 1.00 10.00 N ATOM 0 H LYS A 27 9.424 -6.887 9.882 1.00 10.00 H new ATOM 0 HA LYS A 27 10.726 -5.126 9.358 1.00 10.00 H new ATOM 0 HB2 LYS A 27 9.539 -5.705 6.642 1.00 10.00 H new ATOM 0 HB3 LYS A 27 11.069 -4.916 6.969 1.00 10.00 H new ATOM 0 HG2 LYS A 27 11.662 -7.029 8.382 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.277 -7.788 7.622 1.00 10.00 H new ATOM 0 HD2 LYS A 27 11.929 -8.468 6.150 1.00 10.00 H new ATOM 0 HD3 LYS A 27 11.456 -6.974 5.367 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.332 -5.765 6.390 1.00 10.00 H new ATOM 0 HE3 LYS A 27 13.744 -7.150 7.383 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 15.193 -6.972 5.480 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 14.271 -8.395 5.379 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 13.872 -7.053 4.417 1.00 10.00 H new ATOM 426 N THR A 28 9.590 -2.897 7.863 1.00 10.00 N ATOM 427 CA THR A 28 9.018 -1.560 7.805 1.00 10.00 C ATOM 428 C THR A 28 7.562 -1.643 7.348 1.00 10.00 C ATOM 429 O THR A 28 6.661 -1.279 8.099 1.00 10.00 O ATOM 430 CB THR A 28 9.889 -0.656 6.923 1.00 10.00 C ATOM 431 OG1 THR A 28 11.198 -0.625 7.451 1.00 10.00 O ATOM 432 CG2 THR A 28 9.343 0.774 6.846 1.00 10.00 C ATOM 0 H THR A 28 10.277 -3.088 7.134 1.00 10.00 H new ATOM 0 HA THR A 28 9.008 -1.104 8.795 1.00 10.00 H new ATOM 0 HB THR A 28 9.885 -1.067 5.913 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.763 -0.051 6.892 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.992 1.377 6.211 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.337 0.757 6.426 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.311 1.206 7.846 1.00 10.00 H new ATOM 440 N GLY A 29 7.318 -2.081 6.110 1.00 10.00 N ATOM 441 CA GLY A 29 5.965 -2.233 5.608 1.00 10.00 C ATOM 442 C GLY A 29 5.390 -3.562 6.087 1.00 10.00 C ATOM 443 O GLY A 29 6.010 -4.602 5.882 1.00 10.00 O ATOM 0 H GLY A 29 8.046 -2.335 5.442 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.342 -1.409 5.956 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.964 -2.196 4.519 1.00 10.00 H new ATOM 447 N PRO A 30 4.216 -3.571 6.735 1.00 10.00 N ATOM 448 CA PRO A 30 3.624 -4.816 7.151 1.00 10.00 C ATOM 449 C PRO A 30 3.237 -5.622 5.911 1.00 10.00 C ATOM 450 O PRO A 30 2.976 -5.084 4.827 1.00 10.00 O ATOM 451 CB PRO A 30 2.429 -4.446 8.033 1.00 10.00 C ATOM 452 CG PRO A 30 2.036 -3.053 7.542 1.00 10.00 C ATOM 453 CD PRO A 30 3.358 -2.449 7.066 1.00 10.00 C ATOM 0 HA PRO A 30 4.304 -5.448 7.723 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.611 -5.157 7.918 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.698 -4.437 9.089 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.306 -3.105 6.734 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.589 -2.459 8.339 1.00 10.00 H new ATOM 0 HD2 PRO A 30 3.203 -1.807 6.199 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.807 -1.831 7.844 1.00 10.00 H new ATOM 461 N ASN A 31 3.215 -6.939 6.095 1.00 10.00 N ATOM 462 CA ASN A 31 2.745 -7.884 5.108 1.00 10.00 C ATOM 463 C ASN A 31 1.301 -7.573 4.748 1.00 10.00 C ATOM 464 O ASN A 31 0.398 -7.931 5.502 1.00 10.00 O ATOM 465 CB ASN A 31 2.807 -9.280 5.715 1.00 10.00 C ATOM 466 CG ASN A 31 2.247 -10.318 4.752 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.278 -10.134 3.534 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.746 -11.420 5.289 1.00 10.00 N ATOM 0 H ASN A 31 3.533 -7.381 6.958 1.00 10.00 H new ATOM 0 HA ASN A 31 3.364 -7.823 4.213 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.839 -9.528 5.962 1.00 10.00 H new ATOM 0 HB3 ASN A 31 2.242 -9.301 6.647 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.368 -12.153 4.689 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.738 -11.535 6.302 1.00 10.00 H new ATOM 475 N LEU A 32 1.059 -6.954 3.592 1.00 10.00 N ATOM 476 CA LEU A 32 -0.280 -6.498 3.242 1.00 10.00 C ATOM 477 C LEU A 32 -1.196 -7.637 2.741 1.00 10.00 C ATOM 478 O LEU A 32 -2.046 -7.453 1.870 1.00 10.00 O ATOM 479 CB LEU A 32 -0.185 -5.294 2.288 1.00 10.00 C ATOM 480 CG LEU A 32 -0.264 -3.937 2.998 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.103 -2.861 1.922 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.563 -3.749 3.791 1.00 10.00 C ATOM 0 H LEU A 32 1.771 -6.759 2.888 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.779 -6.153 4.148 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.754 -5.352 1.737 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -0.989 -5.358 1.555 1.00 10.00 H new ATOM 0 HG LEU A 32 0.529 -3.869 3.743 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.153 -1.875 2.383 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.861 -2.982 1.428 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -0.902 -2.959 1.187 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.558 -2.770 4.270 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.415 -3.818 3.115 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.640 -4.525 4.552 1.00 10.00 H new ATOM 494 N HIS A 33 -1.045 -8.828 3.317 1.00 10.00 N ATOM 495 CA HIS A 33 -1.850 -9.994 3.014 1.00 10.00 C ATOM 496 C HIS A 33 -3.303 -9.686 3.400 1.00 10.00 C ATOM 497 O HIS A 33 -3.586 -9.293 4.530 1.00 10.00 O ATOM 498 CB HIS A 33 -1.237 -11.192 3.754 1.00 10.00 C ATOM 499 CG HIS A 33 -2.172 -12.349 3.959 1.00 10.00 C ATOM 500 ND1 HIS A 33 -2.893 -13.015 2.995 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.552 -12.830 5.180 1.00 10.00 C ATOM 502 CE1 HIS A 33 -3.746 -13.833 3.638 1.00 10.00 C ATOM 503 NE2 HIS A 33 -3.561 -13.773 4.968 1.00 10.00 N ATOM 0 H HIS A 33 -0.336 -9.006 4.028 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.859 -10.247 1.954 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.367 -11.540 3.196 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.878 -10.856 4.727 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.146 -12.535 6.136 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -4.482 -14.455 3.150 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -4.058 -14.309 5.680 1.00 10.00 H new ATOM 511 N GLY A 34 -4.221 -9.817 2.441 1.00 10.00 N ATOM 512 CA GLY A 34 -5.621 -9.472 2.614 1.00 10.00 C ATOM 513 C GLY A 34 -5.849 -7.972 2.810 1.00 10.00 C ATOM 514 O GLY A 34 -6.755 -7.601 3.558 1.00 10.00 O ATOM 0 H GLY A 34 -4.003 -10.172 1.510 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.182 -9.808 1.742 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -6.018 -10.009 3.475 1.00 10.00 H new ATOM 518 N LEU A 35 -5.067 -7.129 2.115 1.00 10.00 N ATOM 519 CA LEU A 35 -5.292 -5.689 2.006 1.00 10.00 C ATOM 520 C LEU A 35 -6.736 -5.402 1.581 1.00 10.00 C ATOM 521 O LEU A 35 -7.445 -4.617 2.209 1.00 10.00 O ATOM 522 CB LEU A 35 -4.299 -5.104 0.975 1.00 10.00 C ATOM 523 CG LEU A 35 -4.481 -3.633 0.535 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.238 -2.606 1.635 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.541 -3.332 -0.626 1.00 10.00 C ATOM 0 H LEU A 35 -4.243 -7.444 1.603 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.129 -5.221 2.977 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.295 -5.206 1.386 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.343 -5.726 0.081 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.529 -3.539 0.249 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.388 -1.603 1.236 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.936 -2.779 2.455 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.216 -2.701 2.002 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.668 -2.295 -0.938 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.510 -3.492 -0.310 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.772 -3.993 -1.462 1.00 10.00 H new ATOM 537 N PHE A 36 -7.158 -6.041 0.486 1.00 10.00 N ATOM 538 CA PHE A 36 -8.481 -5.858 -0.087 1.00 10.00 C ATOM 539 C PHE A 36 -9.505 -6.520 0.832 1.00 10.00 C ATOM 540 O PHE A 36 -9.585 -7.745 0.880 1.00 10.00 O ATOM 541 CB PHE A 36 -8.554 -6.425 -1.515 1.00 10.00 C ATOM 542 CG PHE A 36 -7.743 -5.661 -2.550 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.341 -5.717 -2.516 1.00 10.00 C ATOM 544 CD2 PHE A 36 -8.375 -4.903 -3.555 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.575 -4.978 -3.426 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.606 -4.126 -4.444 1.00 10.00 C ATOM 547 CZ PHE A 36 -6.204 -4.130 -4.348 1.00 10.00 C ATOM 0 H PHE A 36 -6.579 -6.705 -0.028 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.702 -4.793 -0.165 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.211 -7.459 -1.497 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.597 -6.440 -1.831 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -5.848 -6.336 -1.781 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -9.451 -4.917 -3.644 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.498 -5.062 -3.417 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -8.094 -3.527 -5.199 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.614 -3.483 -4.981 1.00 10.00 H new ATOM 557 N GLY A 37 -10.280 -5.704 1.549 1.00 10.00 N ATOM 558 CA GLY A 37 -11.321 -6.150 2.468 1.00 10.00 C ATOM 559 C GLY A 37 -10.972 -5.804 3.913 1.00 10.00 C ATOM 560 O GLY A 37 -11.230 -6.595 4.818 1.00 10.00 O ATOM 0 H GLY A 37 -10.196 -4.688 1.503 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.269 -5.685 2.200 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.456 -7.227 2.372 1.00 10.00 H new ATOM 564 N ARG A 38 -10.405 -4.614 4.131 1.00 10.00 N ATOM 565 CA ARG A 38 -10.049 -4.073 5.431 1.00 10.00 C ATOM 566 C ARG A 38 -9.899 -2.559 5.293 1.00 10.00 C ATOM 567 O ARG A 38 -10.055 -2.014 4.199 1.00 10.00 O ATOM 568 CB ARG A 38 -8.751 -4.721 5.952 1.00 10.00 C ATOM 569 CG ARG A 38 -9.023 -5.923 6.870 1.00 10.00 C ATOM 570 CD ARG A 38 -8.498 -7.218 6.252 1.00 10.00 C ATOM 571 NE ARG A 38 -9.126 -8.383 6.886 1.00 10.00 N ATOM 572 CZ ARG A 38 -8.978 -9.641 6.450 1.00 10.00 C ATOM 573 NH1 ARG A 38 -8.116 -9.893 5.459 1.00 10.00 N ATOM 574 NH2 ARG A 38 -9.694 -10.626 7.007 1.00 10.00 N ATOM 0 H ARG A 38 -10.174 -3.979 3.367 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.830 -4.296 6.158 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.144 -5.044 5.106 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.169 -3.976 6.496 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -8.549 -5.760 7.838 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.094 -6.011 7.051 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.702 -7.225 5.181 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.416 -7.272 6.371 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.710 -8.226 7.707 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.580 -9.131 5.044 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -7.995 -10.847 5.119 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -10.349 -10.417 7.760 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -9.584 -11.585 6.678 1.00 10.00 H new ATOM 588 N LYS A 39 -9.633 -1.901 6.424 1.00 10.00 N ATOM 589 CA LYS A 39 -9.390 -0.474 6.548 1.00 10.00 C ATOM 590 C LYS A 39 -7.932 -0.225 6.930 1.00 10.00 C ATOM 591 O LYS A 39 -7.135 -1.155 7.014 1.00 10.00 O ATOM 592 CB LYS A 39 -10.369 0.102 7.587 1.00 10.00 C ATOM 593 CG LYS A 39 -11.644 0.556 6.890 1.00 10.00 C ATOM 594 CD LYS A 39 -12.679 0.972 7.940 1.00 10.00 C ATOM 595 CE LYS A 39 -13.987 1.365 7.249 1.00 10.00 C ATOM 596 NZ LYS A 39 -14.923 0.228 7.117 1.00 10.00 N ATOM 0 H LYS A 39 -9.580 -2.381 7.322 1.00 10.00 H new ATOM 0 HA LYS A 39 -9.561 0.030 5.597 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -10.602 -0.652 8.339 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -9.909 0.941 8.109 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -11.429 1.392 6.224 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.040 -0.250 6.272 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -12.856 0.151 8.635 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -12.300 1.810 8.526 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.468 2.163 7.815 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -13.765 1.765 6.260 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.792 0.547 6.643 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -14.478 -0.525 6.554 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.158 -0.139 8.061 1.00 10.00 H new ATOM 610 N THR A 40 -7.595 1.040 7.161 1.00 10.00 N ATOM 611 CA THR A 40 -6.257 1.486 7.525 1.00 10.00 C ATOM 612 C THR A 40 -5.926 1.200 8.990 1.00 10.00 C ATOM 613 O THR A 40 -4.911 0.597 9.319 1.00 10.00 O ATOM 614 CB THR A 40 -6.210 2.988 7.260 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.138 3.662 8.087 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.633 3.264 5.829 1.00 10.00 C ATOM 0 H THR A 40 -8.267 1.805 7.098 1.00 10.00 H new ATOM 0 HA THR A 40 -5.517 0.945 6.936 1.00 10.00 H new ATOM 0 HB THR A 40 -5.194 3.331 7.454 1.00 10.00 H new ATOM 0 HG1 THR A 40 -6.657 4.150 8.788 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.599 4.337 5.640 1.00 10.00 H new ATOM 0 HG22 THR A 40 -5.956 2.754 5.144 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.648 2.900 5.673 1.00 10.00 H new ATOM 624 N GLY A 41 -6.789 1.689 9.882 1.00 10.00 N ATOM 625 CA GLY A 41 -6.663 1.640 11.331 1.00 10.00 C ATOM 626 C GLY A 41 -6.895 0.244 11.900 1.00 10.00 C ATOM 627 O GLY A 41 -7.727 0.064 12.786 1.00 10.00 O ATOM 0 H GLY A 41 -7.646 2.158 9.589 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.668 1.982 11.616 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.378 2.332 11.776 1.00 10.00 H new ATOM 631 N GLN A 42 -6.151 -0.726 11.381 1.00 10.00 N ATOM 632 CA GLN A 42 -6.122 -2.123 11.768 1.00 10.00 C ATOM 633 C GLN A 42 -4.826 -2.684 11.187 1.00 10.00 C ATOM 634 O GLN A 42 -4.463 -2.298 10.080 1.00 10.00 O ATOM 635 CB GLN A 42 -7.370 -2.847 11.241 1.00 10.00 C ATOM 636 CG GLN A 42 -7.478 -2.797 9.710 1.00 10.00 C ATOM 637 CD GLN A 42 -6.643 -3.872 9.005 1.00 10.00 C ATOM 638 OE1 GLN A 42 -6.518 -4.991 9.494 1.00 10.00 O ATOM 639 NE2 GLN A 42 -6.074 -3.559 7.847 1.00 10.00 N ATOM 0 H GLN A 42 -5.502 -0.535 10.618 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.140 -2.259 12.849 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.347 -3.887 11.566 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.260 -2.396 11.679 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.523 -2.913 9.423 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.159 -1.814 9.363 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -6.190 -2.623 7.458 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -5.521 -4.254 7.346 1.00 10.00 H new ATOM 648 N ALA A 43 -4.116 -3.556 11.902 1.00 10.00 N ATOM 649 CA ALA A 43 -2.931 -4.215 11.370 1.00 10.00 C ATOM 650 C ALA A 43 -2.521 -5.331 12.330 1.00 10.00 C ATOM 651 O ALA A 43 -2.761 -5.204 13.533 1.00 10.00 O ATOM 652 CB ALA A 43 -1.786 -3.212 11.205 1.00 10.00 C ATOM 0 H ALA A 43 -4.346 -3.822 12.859 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.155 -4.633 10.389 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.909 -3.723 10.807 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.090 -2.423 10.517 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.542 -2.775 12.174 1.00 10.00 H new ATOM 658 N PRO A 44 -1.917 -6.425 11.841 1.00 10.00 N ATOM 659 CA PRO A 44 -1.594 -7.566 12.677 1.00 10.00 C ATOM 660 C PRO A 44 -0.394 -7.262 13.581 1.00 10.00 C ATOM 661 O PRO A 44 0.747 -7.544 13.227 1.00 10.00 O ATOM 662 CB PRO A 44 -1.346 -8.725 11.706 1.00 10.00 C ATOM 663 CG PRO A 44 -0.856 -8.028 10.436 1.00 10.00 C ATOM 664 CD PRO A 44 -1.622 -6.705 10.442 1.00 10.00 C ATOM 0 HA PRO A 44 -2.398 -7.820 13.368 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -0.603 -9.422 12.094 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -2.255 -9.298 11.524 1.00 10.00 H new ATOM 0 HG2 PRO A 44 0.222 -7.869 10.455 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -1.075 -8.616 9.545 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.026 -5.906 10.000 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.538 -6.781 9.856 1.00 10.00 H new ATOM 672 N GLY A 45 -0.663 -6.688 14.758 1.00 10.00 N ATOM 673 CA GLY A 45 0.335 -6.448 15.796 1.00 10.00 C ATOM 674 C GLY A 45 1.479 -5.564 15.301 1.00 10.00 C ATOM 675 O GLY A 45 2.633 -5.758 15.672 1.00 10.00 O ATOM 0 H GLY A 45 -1.598 -6.373 15.017 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.142 -5.975 16.655 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.737 -7.401 16.139 1.00 10.00 H new ATOM 679 N PHE A 46 1.133 -4.579 14.470 1.00 10.00 N ATOM 680 CA PHE A 46 2.064 -3.664 13.818 1.00 10.00 C ATOM 681 C PHE A 46 1.938 -2.241 14.407 1.00 10.00 C ATOM 682 O PHE A 46 2.681 -1.346 14.021 1.00 10.00 O ATOM 683 CB PHE A 46 1.760 -3.716 12.310 1.00 10.00 C ATOM 684 CG PHE A 46 2.307 -2.586 11.459 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.676 -2.541 11.138 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.475 -1.500 11.120 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.220 -1.391 10.538 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.019 -0.352 10.520 1.00 10.00 C ATOM 689 CZ PHE A 46 3.396 -0.288 10.254 1.00 10.00 C ATOM 0 H PHE A 46 0.161 -4.392 14.225 1.00 10.00 H new ATOM 0 HA PHE A 46 3.100 -3.958 13.989 1.00 10.00 H new ATOM 0 HB2 PHE A 46 2.150 -4.655 11.918 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.678 -3.743 12.183 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.309 -3.389 11.352 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.415 -1.551 11.322 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.272 -1.355 10.295 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.379 0.480 10.264 1.00 10.00 H new ATOM 0 HZ PHE A 46 3.823 0.609 9.831 1.00 10.00 H new ATOM 699 N THR A 47 1.002 -2.028 15.344 1.00 10.00 N ATOM 700 CA THR A 47 0.559 -0.714 15.812 1.00 10.00 C ATOM 701 C THR A 47 0.108 0.188 14.649 1.00 10.00 C ATOM 702 O THR A 47 -0.255 -0.311 13.584 1.00 10.00 O ATOM 703 CB THR A 47 1.543 -0.068 16.819 1.00 10.00 C ATOM 704 OG1 THR A 47 0.908 1.026 17.456 1.00 10.00 O ATOM 705 CG2 THR A 47 2.873 0.442 16.250 1.00 10.00 C ATOM 0 H THR A 47 0.518 -2.795 15.811 1.00 10.00 H new ATOM 0 HA THR A 47 -0.343 -0.861 16.407 1.00 10.00 H new ATOM 0 HB THR A 47 1.799 -0.883 17.496 1.00 10.00 H new ATOM 0 HG1 THR A 47 1.527 1.436 18.095 1.00 10.00 H new ATOM 0 HG21 THR A 47 3.472 0.871 17.053 1.00 10.00 H new ATOM 0 HG22 THR A 47 3.416 -0.387 15.796 1.00 10.00 H new ATOM 0 HG23 THR A 47 2.678 1.205 15.496 1.00 10.00 H new ATOM 713 N TYR A 48 0.068 1.503 14.882 1.00 10.00 N ATOM 714 CA TYR A 48 -0.317 2.529 13.919 1.00 10.00 C ATOM 715 C TYR A 48 0.759 3.621 13.914 1.00 10.00 C ATOM 716 O TYR A 48 1.903 3.381 14.297 1.00 10.00 O ATOM 717 CB TYR A 48 -1.701 3.102 14.298 1.00 10.00 C ATOM 718 CG TYR A 48 -2.816 2.088 14.487 1.00 10.00 C ATOM 719 CD1 TYR A 48 -3.010 1.068 13.540 1.00 10.00 C ATOM 720 CD2 TYR A 48 -3.683 2.182 15.594 1.00 10.00 C ATOM 721 CE1 TYR A 48 -3.971 0.072 13.769 1.00 10.00 C ATOM 722 CE2 TYR A 48 -4.702 1.230 15.776 1.00 10.00 C ATOM 723 CZ TYR A 48 -4.821 0.152 14.882 1.00 10.00 C ATOM 724 OH TYR A 48 -5.755 -0.817 15.086 1.00 10.00 O ATOM 0 H TYR A 48 0.315 1.895 15.790 1.00 10.00 H new ATOM 0 HA TYR A 48 -0.395 2.107 12.917 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.595 3.671 15.221 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -2.005 3.805 13.523 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -2.419 1.051 12.636 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -3.565 2.987 16.304 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -4.057 -0.760 13.086 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -5.392 1.327 16.601 1.00 10.00 H new ATOM 0 HH TYR A 48 -6.477 -0.719 14.430 1.00 10.00 H new ATOM 734 N THR A 49 0.416 4.826 13.451 1.00 10.00 N ATOM 735 CA THR A 49 1.349 5.943 13.337 1.00 10.00 C ATOM 736 C THR A 49 0.566 7.255 13.469 1.00 10.00 C ATOM 737 O THR A 49 0.790 8.193 12.713 1.00 10.00 O ATOM 738 CB THR A 49 2.088 5.816 11.991 1.00 10.00 C ATOM 739 OG1 THR A 49 2.542 4.487 11.813 1.00 10.00 O ATOM 740 CG2 THR A 49 3.307 6.733 11.846 1.00 10.00 C ATOM 0 H THR A 49 -0.529 5.053 13.142 1.00 10.00 H new ATOM 0 HA THR A 49 2.097 5.934 14.129 1.00 10.00 H new ATOM 0 HB THR A 49 1.356 6.113 11.240 1.00 10.00 H new ATOM 0 HG1 THR A 49 3.009 4.413 10.955 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.765 6.577 10.869 1.00 10.00 H new ATOM 0 HG22 THR A 49 2.993 7.773 11.938 1.00 10.00 H new ATOM 0 HG23 THR A 49 4.031 6.502 12.628 1.00 10.00 H new ATOM 748 N ASP A 50 -0.397 7.274 14.399 1.00 10.00 N ATOM 749 CA ASP A 50 -1.273 8.397 14.750 1.00 10.00 C ATOM 750 C ASP A 50 -1.664 9.247 13.540 1.00 10.00 C ATOM 751 O ASP A 50 -1.627 10.475 13.556 1.00 10.00 O ATOM 752 CB ASP A 50 -0.653 9.203 15.897 1.00 10.00 C ATOM 753 CG ASP A 50 -0.713 8.409 17.192 1.00 10.00 C ATOM 754 OD1 ASP A 50 0.068 7.439 17.294 1.00 10.00 O ATOM 755 OD2 ASP A 50 -1.582 8.747 18.024 1.00 10.00 O ATOM 0 H ASP A 50 -0.598 6.449 14.964 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.221 7.996 15.108 1.00 10.00 H new ATOM 0 HB2 ASP A 50 0.382 9.448 15.660 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -1.185 10.147 16.016 1.00 10.00 H new ATOM 760 N ALA A 51 -2.068 8.546 12.482 1.00 10.00 N ATOM 761 CA ALA A 51 -2.349 9.108 11.175 1.00 10.00 C ATOM 762 C ALA A 51 -3.162 8.079 10.406 1.00 10.00 C ATOM 763 O ALA A 51 -4.260 8.358 9.934 1.00 10.00 O ATOM 764 CB ALA A 51 -1.036 9.429 10.447 1.00 10.00 C ATOM 0 H ALA A 51 -2.212 7.537 12.519 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.909 10.039 11.261 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.257 9.851 9.466 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.463 10.149 11.031 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.454 8.515 10.326 1.00 10.00 H new ATOM 770 N ASN A 52 -2.644 6.851 10.324 1.00 10.00 N ATOM 771 CA ASN A 52 -3.290 5.798 9.558 1.00 10.00 C ATOM 772 C ASN A 52 -4.730 5.582 10.029 1.00 10.00 C ATOM 773 O ASN A 52 -5.651 5.573 9.219 1.00 10.00 O ATOM 774 CB ASN A 52 -2.464 4.505 9.618 1.00 10.00 C ATOM 775 CG ASN A 52 -2.658 3.644 8.372 1.00 10.00 C ATOM 776 OD1 ASN A 52 -2.878 4.170 7.281 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.585 2.330 8.521 1.00 10.00 N ATOM 0 H ASN A 52 -1.778 6.567 10.782 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.339 6.107 8.514 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.408 4.754 9.726 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.749 3.934 10.501 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -2.713 1.718 7.715 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.401 1.931 9.441 1.00 10.00 H new ATOM 784 N LYS A 53 -4.944 5.471 11.345 1.00 10.00 N ATOM 785 CA LYS A 53 -6.279 5.351 11.935 1.00 10.00 C ATOM 786 C LYS A 53 -7.167 6.519 11.495 1.00 10.00 C ATOM 787 O LYS A 53 -8.354 6.339 11.234 1.00 10.00 O ATOM 788 CB LYS A 53 -6.165 5.311 13.472 1.00 10.00 C ATOM 789 CG LYS A 53 -7.182 4.383 14.161 1.00 10.00 C ATOM 790 CD LYS A 53 -8.629 4.896 14.260 1.00 10.00 C ATOM 791 CE LYS A 53 -8.755 6.081 15.233 1.00 10.00 C ATOM 792 NZ LYS A 53 -10.137 6.252 15.731 1.00 10.00 N ATOM 0 H LYS A 53 -4.191 5.462 12.033 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.738 4.425 11.588 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.159 4.991 13.741 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -6.292 6.322 13.860 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.193 3.434 13.626 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.825 4.176 15.170 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -8.974 5.200 13.272 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -9.279 4.086 14.589 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -8.083 5.928 16.077 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -8.435 6.995 14.733 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -10.173 7.062 16.383 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -10.776 6.424 14.929 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -10.435 5.391 16.232 1.00 10.00 H new ATOM 806 N ASN A 54 -6.584 7.718 11.423 1.00 10.00 N ATOM 807 CA ASN A 54 -7.282 8.929 11.020 1.00 10.00 C ATOM 808 C ASN A 54 -7.784 8.831 9.577 1.00 10.00 C ATOM 809 O ASN A 54 -8.767 9.476 9.228 1.00 10.00 O ATOM 810 CB ASN A 54 -6.360 10.143 11.201 1.00 10.00 C ATOM 811 CG ASN A 54 -7.156 11.406 11.492 1.00 10.00 C ATOM 812 OD1 ASN A 54 -7.316 12.270 10.639 1.00 10.00 O ATOM 813 ND2 ASN A 54 -7.644 11.526 12.724 1.00 10.00 N ATOM 0 H ASN A 54 -5.601 7.871 11.647 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.158 9.052 11.657 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.663 9.954 12.018 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.764 10.286 10.300 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -8.172 12.359 12.985 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -7.490 10.785 13.408 1.00 10.00 H new ATOM 820 N LYS A 55 -7.119 8.019 8.744 1.00 10.00 N ATOM 821 CA LYS A 55 -7.524 7.775 7.368 1.00 10.00 C ATOM 822 C LYS A 55 -8.863 7.020 7.375 1.00 10.00 C ATOM 823 O LYS A 55 -9.875 7.525 6.900 1.00 10.00 O ATOM 824 CB LYS A 55 -6.396 7.022 6.635 1.00 10.00 C ATOM 825 CG LYS A 55 -6.193 7.532 5.199 1.00 10.00 C ATOM 826 CD LYS A 55 -5.047 6.807 4.468 1.00 10.00 C ATOM 827 CE LYS A 55 -3.625 7.047 5.027 1.00 10.00 C ATOM 828 NZ LYS A 55 -2.830 5.798 5.165 1.00 10.00 N ATOM 0 H LYS A 55 -6.277 7.512 9.017 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.683 8.706 6.824 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.466 7.133 7.193 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -6.628 5.957 6.611 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.118 7.401 4.637 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -5.984 8.601 5.224 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.249 5.736 4.491 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.060 7.112 3.422 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -3.095 7.736 4.370 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -3.702 7.531 6.001 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -2.734 5.557 6.172 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -3.313 5.022 4.668 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -1.886 5.940 4.751 1.00 10.00 H new ATOM 842 N GLY A 56 -8.868 5.797 7.911 1.00 10.00 N ATOM 843 CA GLY A 56 -10.057 4.967 8.076 1.00 10.00 C ATOM 844 C GLY A 56 -10.656 4.479 6.753 1.00 10.00 C ATOM 845 O GLY A 56 -11.774 3.964 6.735 1.00 10.00 O ATOM 0 H GLY A 56 -8.018 5.347 8.251 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -9.804 4.103 8.691 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -10.813 5.534 8.619 1.00 10.00 H new ATOM 849 N ILE A 57 -9.918 4.613 5.649 1.00 10.00 N ATOM 850 CA ILE A 57 -10.390 4.294 4.310 1.00 10.00 C ATOM 851 C ILE A 57 -10.185 2.817 3.968 1.00 10.00 C ATOM 852 O ILE A 57 -9.285 2.160 4.484 1.00 10.00 O ATOM 853 CB ILE A 57 -9.738 5.229 3.276 1.00 10.00 C ATOM 854 CG1 ILE A 57 -8.218 5.034 3.149 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.128 6.676 3.598 1.00 10.00 C ATOM 856 CD1 ILE A 57 -7.616 5.935 2.067 1.00 10.00 C ATOM 0 H ILE A 57 -8.957 4.954 5.667 1.00 10.00 H new ATOM 0 HA ILE A 57 -11.466 4.463 4.280 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.121 4.970 2.289 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -7.743 5.249 4.106 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.004 3.991 2.914 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -9.671 7.347 2.871 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.212 6.779 3.555 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -9.779 6.933 4.598 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -6.541 5.766 2.010 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.072 5.702 1.105 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -7.807 6.979 2.315 1.00 10.00 H new ATOM 868 N THR A 58 -11.053 2.295 3.103 1.00 10.00 N ATOM 869 CA THR A 58 -10.939 0.951 2.559 1.00 10.00 C ATOM 870 C THR A 58 -9.792 0.860 1.548 1.00 10.00 C ATOM 871 O THR A 58 -9.217 1.872 1.140 1.00 10.00 O ATOM 872 CB THR A 58 -12.274 0.522 1.925 1.00 10.00 C ATOM 873 OG1 THR A 58 -12.564 1.270 0.761 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.436 0.653 2.913 1.00 10.00 C ATOM 0 H THR A 58 -11.866 2.805 2.758 1.00 10.00 H new ATOM 0 HA THR A 58 -10.709 0.266 3.375 1.00 10.00 H new ATOM 0 HB THR A 58 -12.161 -0.527 1.650 1.00 10.00 H new ATOM 0 HG1 THR A 58 -13.417 0.970 0.384 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.362 0.341 2.429 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.249 0.020 3.781 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.526 1.691 3.233 1.00 10.00 H new ATOM 882 N TRP A 59 -9.493 -0.363 1.109 1.00 10.00 N ATOM 883 CA TRP A 59 -8.539 -0.627 0.050 1.00 10.00 C ATOM 884 C TRP A 59 -9.214 -1.470 -1.016 1.00 10.00 C ATOM 885 O TRP A 59 -9.593 -2.609 -0.758 1.00 10.00 O ATOM 886 CB TRP A 59 -7.295 -1.267 0.645 1.00 10.00 C ATOM 887 CG TRP A 59 -6.667 -0.393 1.680 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.807 -0.537 3.016 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.934 0.854 1.479 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.114 0.472 3.650 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.646 1.414 2.754 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.506 1.582 0.347 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -5.000 2.653 2.891 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.833 2.811 0.477 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.594 3.356 1.749 1.00 10.00 C ATOM 0 H TRP A 59 -9.919 -1.208 1.491 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.210 0.292 -0.435 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.557 -2.227 1.089 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.574 -1.468 -0.148 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.370 -1.316 3.508 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.965 0.518 4.658 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.699 1.187 -0.639 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.817 3.063 3.873 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.499 3.337 -0.405 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -4.100 4.311 1.846 1.00 10.00 H new ATOM 906 N LYS A 60 -9.411 -0.880 -2.197 1.00 10.00 N ATOM 907 CA LYS A 60 -10.046 -1.548 -3.320 1.00 10.00 C ATOM 908 C LYS A 60 -9.627 -0.884 -4.631 1.00 10.00 C ATOM 909 O LYS A 60 -10.473 -0.511 -5.438 1.00 10.00 O ATOM 910 CB LYS A 60 -11.571 -1.595 -3.131 1.00 10.00 C ATOM 911 CG LYS A 60 -12.208 -0.204 -2.961 1.00 10.00 C ATOM 912 CD LYS A 60 -13.595 -0.111 -3.617 1.00 10.00 C ATOM 913 CE LYS A 60 -13.495 -0.153 -5.153 1.00 10.00 C ATOM 914 NZ LYS A 60 -14.728 0.298 -5.823 1.00 10.00 N ATOM 0 H LYS A 60 -9.130 0.080 -2.396 1.00 10.00 H new ATOM 0 HA LYS A 60 -9.709 -2.584 -3.366 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.021 -2.090 -3.991 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -11.803 -2.202 -2.256 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -12.295 0.025 -1.899 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.552 0.549 -3.397 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -14.219 -0.934 -3.269 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -14.084 0.813 -3.308 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -12.663 0.474 -5.475 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.268 -1.171 -5.469 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -14.734 -0.043 -6.805 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.555 -0.081 -5.320 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -14.766 1.337 -5.817 1.00 10.00 H new ATOM 928 N GLU A 61 -8.316 -0.719 -4.830 1.00 10.00 N ATOM 929 CA GLU A 61 -7.738 -0.026 -5.976 1.00 10.00 C ATOM 930 C GLU A 61 -8.043 1.473 -5.947 1.00 10.00 C ATOM 931 O GLU A 61 -7.094 2.239 -5.877 1.00 10.00 O ATOM 932 CB GLU A 61 -8.033 -0.758 -7.297 1.00 10.00 C ATOM 933 CG GLU A 61 -8.149 0.090 -8.583 1.00 10.00 C ATOM 934 CD GLU A 61 -9.460 -0.206 -9.289 1.00 10.00 C ATOM 935 OE1 GLU A 61 -9.606 -1.381 -9.702 1.00 10.00 O ATOM 936 OE2 GLU A 61 -10.317 0.699 -9.328 1.00 10.00 O ATOM 0 H GLU A 61 -7.614 -1.074 -4.181 1.00 10.00 H new ATOM 0 HA GLU A 61 -6.651 -0.066 -5.902 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.246 -1.496 -7.453 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.966 -1.308 -7.174 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -8.092 1.150 -8.335 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -7.313 -0.127 -9.247 1.00 10.00 H new ATOM 943 N GLU A 62 -9.308 1.908 -5.977 1.00 10.00 N ATOM 944 CA GLU A 62 -9.683 3.325 -5.957 1.00 10.00 C ATOM 945 C GLU A 62 -8.830 4.150 -4.990 1.00 10.00 C ATOM 946 O GLU A 62 -8.317 5.204 -5.354 1.00 10.00 O ATOM 947 CB GLU A 62 -11.162 3.483 -5.569 1.00 10.00 C ATOM 948 CG GLU A 62 -12.126 3.224 -6.731 1.00 10.00 C ATOM 949 CD GLU A 62 -13.528 3.696 -6.369 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.731 4.926 -6.354 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.367 2.816 -6.076 1.00 10.00 O ATOM 0 H GLU A 62 -10.109 1.278 -6.016 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.510 3.701 -6.965 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.392 2.795 -4.755 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.325 4.492 -5.189 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.779 3.744 -7.624 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.143 2.160 -6.968 1.00 10.00 H new ATOM 958 N THR A 63 -8.671 3.688 -3.750 1.00 10.00 N ATOM 959 CA THR A 63 -7.871 4.422 -2.789 1.00 10.00 C ATOM 960 C THR A 63 -6.391 4.363 -3.173 1.00 10.00 C ATOM 961 O THR A 63 -5.752 5.406 -3.287 1.00 10.00 O ATOM 962 CB THR A 63 -8.167 3.914 -1.379 1.00 10.00 C ATOM 963 OG1 THR A 63 -8.010 2.515 -1.311 1.00 10.00 O ATOM 964 CG2 THR A 63 -9.620 4.227 -1.009 1.00 10.00 C ATOM 0 H THR A 63 -9.081 2.823 -3.398 1.00 10.00 H new ATOM 0 HA THR A 63 -8.138 5.479 -2.800 1.00 10.00 H new ATOM 0 HB THR A 63 -7.473 4.405 -0.697 1.00 10.00 H new ATOM 0 HG1 THR A 63 -7.222 2.300 -0.770 1.00 10.00 H new ATOM 0 HG21 THR A 63 -9.826 3.863 -0.003 1.00 10.00 H new ATOM 0 HG22 THR A 63 -9.781 5.305 -1.045 1.00 10.00 H new ATOM 0 HG23 THR A 63 -10.289 3.737 -1.716 1.00 10.00 H new ATOM 972 N LEU A 64 -5.845 3.164 -3.419 1.00 10.00 N ATOM 973 CA LEU A 64 -4.479 2.991 -3.908 1.00 10.00 C ATOM 974 C LEU A 64 -4.170 3.910 -5.094 1.00 10.00 C ATOM 975 O LEU A 64 -3.071 4.457 -5.161 1.00 10.00 O ATOM 976 CB LEU A 64 -4.171 1.539 -4.299 1.00 10.00 C ATOM 977 CG LEU A 64 -3.987 0.576 -3.119 1.00 10.00 C ATOM 978 CD1 LEU A 64 -5.206 -0.331 -2.935 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.757 -0.301 -3.385 1.00 10.00 C ATOM 0 H LEU A 64 -6.345 2.285 -3.282 1.00 10.00 H new ATOM 0 HA LEU A 64 -3.837 3.265 -3.071 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -4.980 1.168 -4.928 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -3.265 1.526 -4.904 1.00 10.00 H new ATOM 0 HG LEU A 64 -3.861 1.168 -2.212 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -5.038 -0.999 -2.090 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -6.089 0.280 -2.745 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -5.360 -0.921 -3.839 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.615 -0.991 -2.553 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.906 -0.867 -4.304 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -1.875 0.331 -3.487 1.00 10.00 H new ATOM 991 N MET A 65 -5.113 4.084 -6.025 1.00 10.00 N ATOM 992 CA MET A 65 -4.931 4.935 -7.183 1.00 10.00 C ATOM 993 C MET A 65 -4.418 6.304 -6.751 1.00 10.00 C ATOM 994 O MET A 65 -3.474 6.809 -7.358 1.00 10.00 O ATOM 995 CB MET A 65 -6.215 5.065 -8.022 1.00 10.00 C ATOM 996 CG MET A 65 -6.491 3.874 -8.949 1.00 10.00 C ATOM 997 SD MET A 65 -7.236 4.307 -10.546 1.00 10.00 S ATOM 998 CE MET A 65 -8.820 4.982 -10.002 1.00 10.00 C ATOM 0 H MET A 65 -6.026 3.631 -5.987 1.00 10.00 H new ATOM 0 HA MET A 65 -4.187 4.463 -7.825 1.00 10.00 H new ATOM 0 HB2 MET A 65 -7.063 5.190 -7.349 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.150 5.971 -8.624 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.553 3.350 -9.132 1.00 10.00 H new ATOM 0 HG3 MET A 65 -7.151 3.176 -8.434 1.00 10.00 H new ATOM 0 HE1 MET A 65 -9.399 5.295 -10.870 1.00 10.00 H new ATOM 0 HE2 MET A 65 -9.372 4.218 -9.454 1.00 10.00 H new ATOM 0 HE3 MET A 65 -8.646 5.840 -9.353 1.00 10.00 H new ATOM 1008 N GLU A 66 -5.002 6.881 -5.701 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.555 8.156 -5.185 1.00 10.00 C ATOM 1010 C GLU A 66 -3.368 7.924 -4.256 1.00 10.00 C ATOM 1011 O GLU A 66 -2.335 8.550 -4.425 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.707 8.856 -4.466 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.697 9.517 -5.428 1.00 10.00 C ATOM 1014 CD GLU A 66 -7.727 10.313 -4.637 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -8.188 9.767 -3.610 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -7.995 11.464 -5.042 1.00 10.00 O ATOM 0 H GLU A 66 -5.789 6.476 -5.195 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.234 8.805 -6.000 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.237 8.131 -3.849 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.303 9.612 -3.793 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.166 10.174 -6.117 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -7.195 8.758 -6.031 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.492 7.025 -3.280 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.508 6.845 -2.220 1.00 10.00 C ATOM 1025 C TYR A 67 -1.109 6.628 -2.789 1.00 10.00 C ATOM 1026 O TYR A 67 -0.151 7.275 -2.373 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.930 5.675 -1.320 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.168 5.558 -0.003 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.123 6.657 0.871 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.550 4.348 0.385 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.486 6.550 2.114 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.963 4.226 1.664 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.941 5.330 2.536 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.605 5.250 3.861 1.00 10.00 O ATOM 0 H TYR A 67 -4.290 6.394 -3.205 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.469 7.755 -1.621 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.993 5.773 -1.098 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.805 4.746 -1.877 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.583 7.591 0.583 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.526 3.513 -0.299 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.414 7.417 2.754 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.531 3.285 1.973 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.702 4.324 4.168 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.991 5.727 -3.763 1.00 10.00 N ATOM 1045 CA LEU A 68 0.276 5.459 -4.416 1.00 10.00 C ATOM 1046 C LEU A 68 0.722 6.646 -5.264 1.00 10.00 C ATOM 1047 O LEU A 68 1.921 6.875 -5.382 1.00 10.00 O ATOM 1048 CB LEU A 68 0.175 4.204 -5.288 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.262 2.942 -4.535 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.218 1.769 -5.521 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.602 2.669 -3.302 1.00 10.00 C ATOM 0 H LEU A 68 -1.769 5.169 -4.115 1.00 10.00 H new ATOM 0 HA LEU A 68 1.022 5.294 -3.638 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.532 4.394 -6.095 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.145 4.019 -5.750 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.275 3.081 -4.156 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.525 0.855 -5.013 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.895 1.967 -6.352 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.797 1.650 -5.900 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.251 1.765 -2.805 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.640 2.536 -3.607 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.531 3.512 -2.614 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.227 7.372 -5.869 1.00 10.00 N ATOM 1064 CA GLU A 69 0.018 8.488 -6.778 1.00 10.00 C ATOM 1065 C GLU A 69 -0.055 9.841 -6.050 1.00 10.00 C ATOM 1066 O GLU A 69 -0.184 10.885 -6.683 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.960 8.361 -7.962 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.449 8.913 -9.306 1.00 10.00 C ATOM 1069 CD GLU A 69 -1.373 9.968 -9.911 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -2.547 9.611 -10.171 1.00 10.00 O ATOM 1071 OE2 GLU A 69 -0.884 11.094 -10.137 1.00 10.00 O ATOM 0 H GLU A 69 -1.221 7.188 -5.731 1.00 10.00 H new ATOM 0 HA GLU A 69 1.034 8.449 -7.170 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.210 7.308 -8.093 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.884 8.878 -7.704 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.541 9.346 -9.161 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.337 8.089 -10.011 1.00 10.00 H new ATOM 1078 N ASN A 70 -0.002 9.827 -4.713 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.265 10.971 -3.849 1.00 10.00 C ATOM 1080 C ASN A 70 -0.267 10.489 -2.388 1.00 10.00 C ATOM 1081 O ASN A 70 -1.282 10.567 -1.695 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.597 11.655 -4.250 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.418 13.021 -4.904 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.530 13.794 -4.544 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.314 13.365 -5.825 1.00 10.00 N ATOM 0 H ASN A 70 0.235 8.984 -4.189 1.00 10.00 H new ATOM 0 HA ASN A 70 0.515 11.724 -3.962 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.137 11.003 -4.936 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.218 11.767 -3.361 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.276 14.290 -6.253 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.039 12.704 -6.104 1.00 10.00 H new ATOM 1092 N PRO A 71 0.874 10.000 -1.872 1.00 10.00 N ATOM 1093 CA PRO A 71 0.955 9.561 -0.488 1.00 10.00 C ATOM 1094 C PRO A 71 0.807 10.768 0.442 1.00 10.00 C ATOM 1095 O PRO A 71 0.023 10.743 1.390 1.00 10.00 O ATOM 1096 CB PRO A 71 2.309 8.856 -0.359 1.00 10.00 C ATOM 1097 CG PRO A 71 3.162 9.455 -1.480 1.00 10.00 C ATOM 1098 CD PRO A 71 2.141 9.807 -2.564 1.00 10.00 C ATOM 0 HA PRO A 71 0.158 8.874 -0.205 1.00 10.00 H new ATOM 0 HB2 PRO A 71 2.757 9.033 0.619 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.207 7.777 -0.472 1.00 10.00 H new ATOM 0 HG2 PRO A 71 3.707 10.336 -1.141 1.00 10.00 H new ATOM 0 HG3 PRO A 71 3.903 8.743 -1.844 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.435 10.710 -3.099 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.065 9.009 -3.303 1.00 10.00 H new ATOM 1106 N LYS A 72 1.526 11.854 0.140 1.00 10.00 N ATOM 1107 CA LYS A 72 1.569 13.073 0.942 1.00 10.00 C ATOM 1108 C LYS A 72 0.312 13.941 0.785 1.00 10.00 C ATOM 1109 O LYS A 72 0.398 15.164 0.727 1.00 10.00 O ATOM 1110 CB LYS A 72 2.885 13.811 0.642 1.00 10.00 C ATOM 1111 CG LYS A 72 3.089 14.362 -0.787 1.00 10.00 C ATOM 1112 CD LYS A 72 2.610 15.817 -0.941 1.00 10.00 C ATOM 1113 CE LYS A 72 3.475 16.648 -1.901 1.00 10.00 C ATOM 1114 NZ LYS A 72 3.311 16.240 -3.312 1.00 10.00 N ATOM 0 H LYS A 72 2.110 11.907 -0.695 1.00 10.00 H new ATOM 0 HA LYS A 72 1.560 12.811 2.000 1.00 10.00 H new ATOM 0 HB2 LYS A 72 2.968 14.645 1.338 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.708 13.131 0.860 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.146 14.303 -1.046 1.00 10.00 H new ATOM 0 HG3 LYS A 72 2.552 13.731 -1.495 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.581 15.816 -1.300 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.606 16.295 0.038 1.00 10.00 H new ATOM 0 HE2 LYS A 72 3.215 17.702 -1.799 1.00 10.00 H new ATOM 0 HE3 LYS A 72 4.523 16.549 -1.618 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 3.916 16.831 -3.917 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 3.584 15.242 -3.419 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 2.317 16.359 -3.594 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.860 13.309 0.712 1.00 10.00 N ATOM 1129 CA LYS A 73 -2.116 13.961 0.372 1.00 10.00 C ATOM 1130 C LYS A 73 -3.231 13.473 1.288 1.00 10.00 C ATOM 1131 O LYS A 73 -3.884 14.291 1.930 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.427 13.735 -1.118 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.471 15.064 -1.878 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.796 15.801 -1.639 1.00 10.00 C ATOM 1135 CE LYS A 73 -3.640 17.276 -2.038 1.00 10.00 C ATOM 1136 NZ LYS A 73 -4.943 17.952 -2.206 1.00 10.00 N ATOM 0 H LYS A 73 -0.960 12.310 0.892 1.00 10.00 H new ATOM 0 HA LYS A 73 -2.032 15.036 0.529 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.669 13.086 -1.557 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -3.383 13.222 -1.220 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -1.640 15.694 -1.561 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -2.342 14.880 -2.945 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -4.592 15.338 -2.221 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -4.083 15.725 -0.590 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -3.059 17.796 -1.277 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -3.077 17.341 -2.969 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -4.787 18.944 -2.475 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -5.489 17.473 -2.950 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -5.471 17.915 -1.311 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.434 12.154 1.374 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.387 11.598 2.327 1.00 10.00 C ATOM 1152 C TYR A 74 -4.055 12.056 3.745 1.00 10.00 C ATOM 1153 O TYR A 74 -4.950 12.472 4.475 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.426 10.069 2.238 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.379 9.555 1.180 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -6.762 9.520 1.441 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -4.895 9.127 -0.066 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -7.652 9.029 0.471 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -5.778 8.559 -0.998 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.161 8.553 -0.755 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.019 8.015 -1.664 1.00 10.00 O ATOM 0 H TYR A 74 -2.954 11.461 0.799 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.380 11.970 2.072 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.423 9.699 2.025 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.716 9.663 3.207 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -7.140 9.872 2.390 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -3.848 9.234 -0.307 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -8.714 9.018 0.669 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -5.391 8.124 -1.908 1.00 10.00 H new ATOM 0 HH TYR A 74 -7.943 8.500 -2.512 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.776 11.985 4.132 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.321 12.519 5.408 1.00 10.00 C ATOM 1173 C ILE A 75 -0.805 12.764 5.365 1.00 10.00 C ATOM 1174 O ILE A 75 -0.036 11.810 5.231 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.776 11.612 6.571 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.464 12.278 7.920 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.206 10.188 6.509 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -3.457 11.819 8.989 1.00 10.00 C ATOM 0 H ILE A 75 -2.038 11.559 3.571 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.784 13.489 5.592 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.855 11.496 6.467 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -1.449 12.029 8.228 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -2.509 13.362 7.816 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.571 9.613 7.360 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.524 9.709 5.583 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.117 10.230 6.540 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -3.220 12.301 9.937 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -4.468 12.091 8.687 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -3.392 10.737 9.106 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.336 14.022 5.438 1.00 10.00 N ATOM 1191 CA PRO A 76 1.084 14.334 5.367 1.00 10.00 C ATOM 1192 C PRO A 76 1.776 14.047 6.709 1.00 10.00 C ATOM 1193 O PRO A 76 2.264 14.958 7.372 1.00 10.00 O ATOM 1194 CB PRO A 76 1.144 15.806 4.942 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.134 16.399 5.534 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.131 15.242 5.457 1.00 10.00 C ATOM 0 HA PRO A 76 1.624 13.714 4.651 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.034 16.300 5.331 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.170 15.910 3.857 1.00 10.00 H new ATOM 0 HG2 PRO A 76 0.016 16.732 6.561 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.477 17.263 4.965 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.807 15.253 6.312 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.748 15.319 4.562 1.00 10.00 H new ATOM 1204 N GLY A 77 1.852 12.769 7.094 1.00 10.00 N ATOM 1205 CA GLY A 77 2.617 12.320 8.256 1.00 10.00 C ATOM 1206 C GLY A 77 2.695 10.797 8.261 1.00 10.00 C ATOM 1207 O GLY A 77 2.314 10.162 9.240 1.00 10.00 O ATOM 0 H GLY A 77 1.379 12.012 6.601 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.620 12.745 8.230 1.00 10.00 H new ATOM 0 HA3 GLY A 77 2.145 12.673 9.173 1.00 10.00 H new ATOM 1211 N THR A 78 3.185 10.225 7.156 1.00 10.00 N ATOM 1212 CA THR A 78 3.266 8.781 6.969 1.00 10.00 C ATOM 1213 C THR A 78 4.693 8.394 6.571 1.00 10.00 C ATOM 1214 O THR A 78 5.470 7.965 7.420 1.00 10.00 O ATOM 1215 CB THR A 78 2.194 8.333 5.959 1.00 10.00 C ATOM 1216 OG1 THR A 78 0.950 8.886 6.326 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.057 6.812 5.929 1.00 10.00 C ATOM 0 H THR A 78 3.538 10.760 6.362 1.00 10.00 H new ATOM 0 HA THR A 78 3.053 8.254 7.899 1.00 10.00 H new ATOM 0 HB THR A 78 2.498 8.678 4.971 1.00 10.00 H new ATOM 0 HG1 THR A 78 0.863 9.781 5.938 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.292 6.530 5.206 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.010 6.366 5.642 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.772 6.453 6.918 1.00 10.00 H new ATOM 1225 N LYS A 79 5.040 8.553 5.287 1.00 10.00 N ATOM 1226 CA LYS A 79 6.342 8.230 4.714 1.00 10.00 C ATOM 1227 C LYS A 79 6.321 8.632 3.242 1.00 10.00 C ATOM 1228 O LYS A 79 6.240 7.792 2.347 1.00 10.00 O ATOM 1229 CB LYS A 79 6.700 6.748 4.911 1.00 10.00 C ATOM 1230 CG LYS A 79 5.725 5.771 4.237 1.00 10.00 C ATOM 1231 CD LYS A 79 5.439 4.530 5.090 1.00 10.00 C ATOM 1232 CE LYS A 79 6.696 3.698 5.389 1.00 10.00 C ATOM 1233 NZ LYS A 79 7.525 4.242 6.484 1.00 10.00 N ATOM 0 H LYS A 79 4.390 8.926 4.595 1.00 10.00 H new ATOM 0 HA LYS A 79 7.125 8.787 5.229 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.702 6.572 4.519 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.733 6.532 5.979 1.00 10.00 H new ATOM 0 HG2 LYS A 79 4.787 6.287 4.029 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.137 5.459 3.277 1.00 10.00 H new ATOM 0 HD2 LYS A 79 4.985 4.841 6.031 1.00 10.00 H new ATOM 0 HD3 LYS A 79 4.710 3.903 4.576 1.00 10.00 H new ATOM 0 HE2 LYS A 79 6.395 2.682 5.644 1.00 10.00 H new ATOM 0 HE3 LYS A 79 7.301 3.634 4.485 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 8.002 3.462 6.979 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 8.238 4.890 6.091 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 6.920 4.758 7.154 1.00 10.00 H new ATOM 1247 N MET A 80 6.341 9.939 2.988 1.00 10.00 N ATOM 1248 CA MET A 80 6.467 10.428 1.630 1.00 10.00 C ATOM 1249 C MET A 80 7.778 9.895 1.056 1.00 10.00 C ATOM 1250 O MET A 80 8.816 10.031 1.700 1.00 10.00 O ATOM 1251 CB MET A 80 6.429 11.962 1.635 1.00 10.00 C ATOM 1252 CG MET A 80 6.834 12.578 0.284 1.00 10.00 C ATOM 1253 SD MET A 80 8.445 13.410 0.305 1.00 10.00 S ATOM 1254 CE MET A 80 9.052 13.042 -1.353 1.00 10.00 C ATOM 0 H MET A 80 6.272 10.666 3.700 1.00 10.00 H new ATOM 0 HA MET A 80 5.643 10.082 1.006 1.00 10.00 H new ATOM 0 HB2 MET A 80 5.423 12.294 1.893 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.096 12.334 2.412 1.00 10.00 H new ATOM 0 HG2 MET A 80 6.853 11.792 -0.471 1.00 10.00 H new ATOM 0 HG3 MET A 80 6.071 13.294 -0.020 1.00 10.00 H new ATOM 0 HE1 MET A 80 9.834 13.753 -1.620 1.00 10.00 H new ATOM 0 HE2 MET A 80 9.457 12.030 -1.376 1.00 10.00 H new ATOM 0 HE3 MET A 80 8.232 13.120 -2.066 1.00 10.00 H new ATOM 1264 N ILE A 81 7.717 9.289 -0.137 1.00 10.00 N ATOM 1265 CA ILE A 81 8.905 8.818 -0.833 1.00 10.00 C ATOM 1266 C ILE A 81 9.027 9.340 -2.261 1.00 10.00 C ATOM 1267 O ILE A 81 10.129 9.645 -2.709 1.00 10.00 O ATOM 1268 CB ILE A 81 9.048 7.281 -0.766 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.749 6.563 -1.181 1.00 10.00 C ATOM 1270 CG2 ILE A 81 9.506 6.832 0.628 1.00 10.00 C ATOM 1271 CD1 ILE A 81 7.905 5.040 -1.256 1.00 10.00 C ATOM 0 H ILE A 81 6.845 9.116 -0.638 1.00 10.00 H new ATOM 0 HA ILE A 81 9.747 9.248 -0.291 1.00 10.00 H new ATOM 0 HB ILE A 81 9.816 6.996 -1.485 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.961 6.807 -0.468 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.427 6.938 -2.153 1.00 10.00 H new ATOM 0 HG21 ILE A 81 9.599 5.746 0.648 1.00 10.00 H new ATOM 0 HG22 ILE A 81 10.472 7.283 0.857 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.773 7.147 1.371 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.957 4.591 -1.553 1.00 10.00 H new ATOM 0 HD12 ILE A 81 8.671 4.788 -1.989 1.00 10.00 H new ATOM 0 HD13 ILE A 81 8.198 4.656 -0.279 1.00 10.00 H new ATOM 1283 N PHE A 82 7.916 9.472 -2.980 1.00 10.00 N ATOM 1284 CA PHE A 82 7.904 10.003 -4.329 1.00 10.00 C ATOM 1285 C PHE A 82 6.492 10.506 -4.610 1.00 10.00 C ATOM 1286 O PHE A 82 5.593 10.295 -3.796 1.00 10.00 O ATOM 1287 CB PHE A 82 8.391 8.934 -5.324 1.00 10.00 C ATOM 1288 CG PHE A 82 7.744 7.564 -5.192 1.00 10.00 C ATOM 1289 CD1 PHE A 82 6.395 7.383 -5.545 1.00 10.00 C ATOM 1290 CD2 PHE A 82 8.500 6.458 -4.756 1.00 10.00 C ATOM 1291 CE1 PHE A 82 5.794 6.118 -5.441 1.00 10.00 C ATOM 1292 CE2 PHE A 82 7.907 5.185 -4.678 1.00 10.00 C ATOM 1293 CZ PHE A 82 6.551 5.017 -5.006 1.00 10.00 C ATOM 0 H PHE A 82 6.993 9.209 -2.634 1.00 10.00 H new ATOM 0 HA PHE A 82 8.593 10.840 -4.443 1.00 10.00 H new ATOM 0 HB2 PHE A 82 8.218 9.301 -6.336 1.00 10.00 H new ATOM 0 HB3 PHE A 82 9.469 8.819 -5.206 1.00 10.00 H new ATOM 0 HD1 PHE A 82 5.816 8.223 -5.899 1.00 10.00 H new ATOM 0 HD2 PHE A 82 9.536 6.588 -4.481 1.00 10.00 H new ATOM 0 HE1 PHE A 82 4.752 5.992 -5.695 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.495 4.335 -4.365 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.091 4.043 -4.924 1.00 10.00 H new ATOM 1303 N ALA A 83 6.307 11.191 -5.742 1.00 10.00 N ATOM 1304 CA ALA A 83 5.014 11.730 -6.135 1.00 10.00 C ATOM 1305 C ALA A 83 4.037 10.593 -6.421 1.00 10.00 C ATOM 1306 O ALA A 83 3.014 10.465 -5.754 1.00 10.00 O ATOM 1307 CB ALA A 83 5.183 12.628 -7.364 1.00 10.00 C ATOM 0 H ALA A 83 7.054 11.385 -6.409 1.00 10.00 H new ATOM 0 HA ALA A 83 4.608 12.329 -5.320 1.00 10.00 H new ATOM 0 HB1 ALA A 83 4.213 13.031 -7.657 1.00 10.00 H new ATOM 0 HB2 ALA A 83 5.859 13.449 -7.125 1.00 10.00 H new ATOM 0 HB3 ALA A 83 5.597 12.045 -8.187 1.00 10.00 H new ATOM 1313 N GLY A 84 4.373 9.766 -7.411 1.00 10.00 N ATOM 1314 CA GLY A 84 3.591 8.609 -7.782 1.00 10.00 C ATOM 1315 C GLY A 84 4.478 7.582 -8.460 1.00 10.00 C ATOM 1316 O GLY A 84 5.631 7.886 -8.756 1.00 10.00 O ATOM 0 H GLY A 84 5.210 9.892 -7.980 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.127 8.174 -6.897 1.00 10.00 H new ATOM 0 HA3 GLY A 84 2.784 8.904 -8.452 1.00 10.00 H new ATOM 1320 N ILE A 85 3.930 6.380 -8.678 1.00 10.00 N ATOM 1321 CA ILE A 85 4.606 5.249 -9.302 1.00 10.00 C ATOM 1322 C ILE A 85 5.363 5.698 -10.547 1.00 10.00 C ATOM 1323 O ILE A 85 6.585 5.820 -10.520 1.00 10.00 O ATOM 1324 CB ILE A 85 3.571 4.130 -9.568 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.376 3.279 -8.330 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.811 3.201 -10.774 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.643 2.516 -7.977 1.00 10.00 C ATOM 0 H ILE A 85 2.968 6.167 -8.413 1.00 10.00 H new ATOM 0 HA ILE A 85 5.363 4.836 -8.635 1.00 10.00 H new ATOM 0 HB ILE A 85 2.678 4.696 -9.833 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.086 3.913 -7.492 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.560 2.576 -8.495 1.00 10.00 H new ATOM 0 HG21 ILE A 85 3.006 2.468 -10.835 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.833 3.792 -11.690 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.763 2.685 -10.652 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.469 1.915 -7.084 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.917 1.863 -8.806 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.452 3.222 -7.788 1.00 10.00 H new ATOM 1339 N LYS A 86 4.631 5.908 -11.642 1.00 10.00 N ATOM 1340 CA LYS A 86 5.167 6.454 -12.879 1.00 10.00 C ATOM 1341 C LYS A 86 4.202 7.476 -13.472 1.00 10.00 C ATOM 1342 O LYS A 86 4.559 8.637 -13.641 1.00 10.00 O ATOM 1343 CB LYS A 86 5.488 5.343 -13.890 1.00 10.00 C ATOM 1344 CG LYS A 86 6.244 4.173 -13.250 1.00 10.00 C ATOM 1345 CD LYS A 86 7.167 3.497 -14.256 1.00 10.00 C ATOM 1346 CE LYS A 86 8.611 3.992 -14.106 1.00 10.00 C ATOM 1347 NZ LYS A 86 9.493 3.418 -15.142 1.00 10.00 N ATOM 0 H LYS A 86 3.634 5.699 -11.690 1.00 10.00 H new ATOM 0 HA LYS A 86 6.104 6.961 -12.647 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.561 4.976 -14.330 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.084 5.756 -14.703 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.827 4.533 -12.403 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.532 3.446 -12.860 1.00 10.00 H new ATOM 0 HD2 LYS A 86 7.134 2.417 -14.115 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.815 3.697 -15.268 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.632 5.080 -14.172 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.987 3.725 -13.118 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 10.461 3.774 -15.010 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 9.492 2.381 -15.063 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 9.148 3.694 -16.083 1.00 10.00 H new ATOM 1361 N LYS A 87 3.004 7.022 -13.861 1.00 10.00 N ATOM 1362 CA LYS A 87 2.032 7.868 -14.548 1.00 10.00 C ATOM 1363 C LYS A 87 0.614 7.424 -14.217 1.00 10.00 C ATOM 1364 O LYS A 87 -0.154 8.150 -13.596 1.00 10.00 O ATOM 1365 CB LYS A 87 2.300 7.941 -16.072 1.00 10.00 C ATOM 1366 CG LYS A 87 3.490 7.108 -16.579 1.00 10.00 C ATOM 1367 CD LYS A 87 3.813 7.350 -18.063 1.00 10.00 C ATOM 1368 CE LYS A 87 4.654 8.627 -18.259 1.00 10.00 C ATOM 1369 NZ LYS A 87 5.283 8.685 -19.596 1.00 10.00 N ATOM 0 H LYS A 87 2.687 6.065 -13.708 1.00 10.00 H new ATOM 0 HA LYS A 87 2.147 8.888 -14.182 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.402 7.615 -16.597 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.467 8.983 -16.344 1.00 10.00 H new ATOM 0 HG2 LYS A 87 4.370 7.342 -15.980 1.00 10.00 H new ATOM 0 HG3 LYS A 87 3.274 6.050 -16.429 1.00 10.00 H new ATOM 0 HD2 LYS A 87 4.354 6.492 -18.463 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.885 7.434 -18.629 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.019 9.502 -18.120 1.00 10.00 H new ATOM 0 HE3 LYS A 87 5.429 8.670 -17.493 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 5.838 9.561 -19.681 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 5.910 7.865 -19.721 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 4.544 8.671 -20.328 1.00 10.00 H new ATOM 1383 N LYS A 88 0.282 6.208 -14.636 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.022 5.608 -14.411 1.00 10.00 C ATOM 1385 C LYS A 88 -0.920 4.127 -14.756 1.00 10.00 C ATOM 1386 O LYS A 88 -1.351 3.278 -13.985 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.098 6.298 -15.275 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.472 5.612 -15.166 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.464 6.189 -16.185 1.00 10.00 C ATOM 1390 CE LYS A 88 -5.703 5.283 -16.292 1.00 10.00 C ATOM 1391 NZ LYS A 88 -6.588 5.671 -17.410 1.00 10.00 N ATOM 0 H LYS A 88 0.924 5.604 -15.150 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.318 5.731 -13.369 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -2.191 7.340 -14.970 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -1.777 6.298 -16.317 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -3.360 4.540 -15.330 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.866 5.740 -14.158 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.763 7.193 -15.884 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -3.985 6.278 -17.160 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -5.384 4.249 -16.426 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -6.263 5.325 -15.358 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -7.408 5.032 -17.441 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -6.915 6.648 -17.270 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -6.064 5.606 -18.306 1.00 10.00 H new ATOM 1405 N THR A 89 -0.362 3.839 -15.936 1.00 10.00 N ATOM 1406 CA THR A 89 -0.365 2.502 -16.519 1.00 10.00 C ATOM 1407 C THR A 89 0.247 1.497 -15.544 1.00 10.00 C ATOM 1408 O THR A 89 -0.453 0.617 -15.042 1.00 10.00 O ATOM 1409 CB THR A 89 0.346 2.531 -17.880 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.384 3.365 -18.763 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.427 1.136 -18.504 1.00 10.00 C ATOM 0 H THR A 89 0.107 4.536 -16.515 1.00 10.00 H new ATOM 0 HA THR A 89 -1.389 2.173 -16.698 1.00 10.00 H new ATOM 0 HB THR A 89 1.358 2.905 -17.722 1.00 10.00 H new ATOM 0 HG1 THR A 89 0.064 3.391 -19.634 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.936 1.197 -19.466 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.982 0.472 -17.841 1.00 10.00 H new ATOM 0 HG23 THR A 89 -0.579 0.744 -18.651 1.00 10.00 H new ATOM 1419 N GLU A 90 1.533 1.672 -15.221 1.00 10.00 N ATOM 1420 CA GLU A 90 2.190 0.851 -14.223 1.00 10.00 C ATOM 1421 C GLU A 90 1.368 0.720 -12.943 1.00 10.00 C ATOM 1422 O GLU A 90 1.211 -0.379 -12.433 1.00 10.00 O ATOM 1423 CB GLU A 90 3.549 1.460 -13.872 1.00 10.00 C ATOM 1424 CG GLU A 90 4.696 0.834 -14.679 1.00 10.00 C ATOM 1425 CD GLU A 90 5.070 1.656 -15.902 1.00 10.00 C ATOM 1426 OE1 GLU A 90 4.193 2.414 -16.376 1.00 10.00 O ATOM 1427 OE2 GLU A 90 6.259 1.555 -16.282 1.00 10.00 O ATOM 0 H GLU A 90 2.133 2.380 -15.643 1.00 10.00 H new ATOM 0 HA GLU A 90 2.307 -0.144 -14.653 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.522 2.534 -14.057 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.741 1.325 -12.808 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.570 0.727 -14.037 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.408 -0.169 -14.995 1.00 10.00 H new ATOM 1434 N ARG A 91 0.894 1.838 -12.391 1.00 10.00 N ATOM 1435 CA ARG A 91 0.127 1.838 -11.152 1.00 10.00 C ATOM 1436 C ARG A 91 -1.092 0.908 -11.281 1.00 10.00 C ATOM 1437 O ARG A 91 -1.375 0.110 -10.388 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.236 3.290 -10.799 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.222 3.417 -9.628 1.00 10.00 C ATOM 1440 CD ARG A 91 -2.615 3.869 -10.103 1.00 10.00 C ATOM 1441 NE ARG A 91 -2.849 5.289 -9.771 1.00 10.00 N ATOM 1442 CZ ARG A 91 -3.635 6.174 -10.406 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -4.333 5.820 -11.487 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -3.748 7.400 -9.900 1.00 10.00 N ATOM 0 H ARG A 91 1.033 2.766 -12.792 1.00 10.00 H new ATOM 0 HA ARG A 91 0.716 1.439 -10.326 1.00 10.00 H new ATOM 0 HB2 ARG A 91 0.677 3.833 -10.553 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -0.666 3.771 -11.678 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.305 2.458 -9.117 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.835 4.132 -8.902 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -2.701 3.724 -11.180 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -3.381 3.251 -9.636 1.00 10.00 H new ATOM 0 HE ARG A 91 -2.350 5.643 -8.955 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -4.274 4.866 -11.842 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -4.925 6.504 -11.958 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -3.244 7.649 -9.049 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -4.339 8.091 -10.363 1.00 10.00 H new ATOM 1458 N GLU A 92 -1.793 0.990 -12.411 1.00 10.00 N ATOM 1459 CA GLU A 92 -2.952 0.148 -12.687 1.00 10.00 C ATOM 1460 C GLU A 92 -2.554 -1.331 -12.740 1.00 10.00 C ATOM 1461 O GLU A 92 -3.164 -2.184 -12.089 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.625 0.602 -13.996 1.00 10.00 C ATOM 1463 CG GLU A 92 -4.888 1.421 -13.710 1.00 10.00 C ATOM 1464 CD GLU A 92 -5.954 0.528 -13.087 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.373 -0.420 -13.791 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.278 0.784 -11.910 1.00 10.00 O ATOM 0 H GLU A 92 -1.571 1.644 -13.161 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.672 0.257 -11.876 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -2.925 1.199 -14.581 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.881 -0.270 -14.598 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -4.653 2.245 -13.037 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.264 1.861 -14.634 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.512 -1.642 -13.513 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.963 -2.995 -13.570 1.00 10.00 C ATOM 1475 C ASP A 93 -0.631 -3.473 -12.146 1.00 10.00 C ATOM 1476 O ASP A 93 -0.949 -4.593 -11.746 1.00 10.00 O ATOM 1477 CB ASP A 93 0.280 -3.022 -14.477 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.012 -2.873 -15.967 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.200 -2.997 -16.344 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.970 -2.667 -16.713 1.00 10.00 O ATOM 0 H ASP A 93 -1.030 -0.970 -14.111 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.700 -3.675 -13.997 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.953 -2.221 -14.171 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.809 -3.962 -14.317 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.030 -2.588 -11.350 1.00 10.00 N ATOM 1486 CA LEU A 94 0.291 -2.821 -9.950 1.00 10.00 C ATOM 1487 C LEU A 94 -0.942 -3.310 -9.190 1.00 10.00 C ATOM 1488 O LEU A 94 -0.899 -4.386 -8.590 1.00 10.00 O ATOM 1489 CB LEU A 94 0.889 -1.550 -9.323 1.00 10.00 C ATOM 1490 CG LEU A 94 2.121 -1.853 -8.473 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.823 -0.552 -8.089 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.737 -2.599 -7.210 1.00 10.00 C ATOM 0 H LEU A 94 0.253 -1.664 -11.675 1.00 10.00 H new ATOM 0 HA LEU A 94 1.044 -3.607 -9.882 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.158 -0.849 -10.113 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.135 -1.061 -8.706 1.00 10.00 H new ATOM 0 HG LEU A 94 2.792 -2.477 -9.063 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.701 -0.777 -7.483 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.131 -0.025 -8.992 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.139 0.076 -7.518 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.632 -2.803 -6.622 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.048 -1.991 -6.624 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.255 -3.540 -7.475 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.043 -2.546 -9.233 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.309 -2.978 -8.655 1.00 10.00 C ATOM 1506 C ILE A 95 -3.653 -4.394 -9.098 1.00 10.00 C ATOM 1507 O ILE A 95 -4.044 -5.211 -8.269 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.459 -2.004 -8.987 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.562 -0.934 -7.895 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.801 -2.745 -9.141 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.415 0.067 -7.885 1.00 10.00 C ATOM 0 H ILE A 95 -2.075 -1.623 -9.666 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.186 -2.975 -7.572 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.236 -1.527 -9.941 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.500 -0.393 -8.021 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.607 -1.427 -6.924 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.588 -2.028 -9.374 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.724 -3.474 -9.948 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.042 -3.258 -8.210 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.568 0.788 -7.082 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.474 -0.460 -7.726 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.381 0.591 -8.840 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.591 -4.668 -10.402 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.013 -5.960 -10.922 1.00 10.00 C ATOM 1525 C ALA A 96 -3.280 -7.100 -10.236 1.00 10.00 C ATOM 1526 O ALA A 96 -3.910 -8.073 -9.822 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.809 -6.022 -12.424 1.00 10.00 C ATOM 0 H ALA A 96 -3.254 -4.015 -11.109 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.076 -6.073 -10.710 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.130 -6.995 -12.795 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.396 -5.239 -12.904 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.754 -5.876 -12.654 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.960 -6.980 -10.093 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.244 -7.938 -9.272 1.00 10.00 C ATOM 1535 C TYR A 97 -1.805 -7.929 -7.863 1.00 10.00 C ATOM 1536 O TYR A 97 -2.298 -8.952 -7.398 1.00 10.00 O ATOM 1537 CB TYR A 97 0.246 -7.644 -9.246 1.00 10.00 C ATOM 1538 CG TYR A 97 1.014 -8.477 -8.241 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.070 -9.876 -8.386 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.643 -7.862 -7.143 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.794 -10.652 -7.464 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.394 -8.636 -6.242 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.486 -10.026 -6.412 1.00 10.00 C ATOM 1544 OH TYR A 97 3.234 -10.759 -5.542 1.00 10.00 O ATOM 0 H TYR A 97 -1.387 -6.253 -10.521 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.379 -8.927 -9.709 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.659 -7.818 -10.240 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.395 -6.588 -9.019 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.556 -10.354 -9.207 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.549 -6.797 -6.993 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.819 -11.727 -7.563 1.00 10.00 H new ATOM 0 HE2 TYR A 97 2.902 -8.160 -5.416 1.00 10.00 H new ATOM 0 HH TYR A 97 3.643 -10.163 -4.880 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.701 -6.778 -7.197 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.083 -6.605 -5.802 1.00 10.00 C ATOM 1556 C LEU A 98 -3.399 -7.313 -5.465 1.00 10.00 C ATOM 1557 O LEU A 98 -3.452 -8.050 -4.482 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.103 -5.113 -5.427 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.051 -4.759 -4.358 1.00 10.00 C ATOM 1560 CD1 LEU A 98 0.022 -3.844 -4.922 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.694 -4.091 -3.151 1.00 10.00 C ATOM 0 H LEU A 98 -1.341 -5.925 -7.625 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.324 -7.089 -5.187 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.924 -4.515 -6.320 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.094 -4.847 -5.059 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.591 -5.696 -4.044 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.749 -3.613 -4.143 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.525 -4.341 -5.752 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.436 -2.921 -5.276 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.926 -3.853 -2.415 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.192 -3.174 -3.465 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.425 -4.767 -2.708 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.432 -7.127 -6.294 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.719 -7.802 -6.194 1.00 10.00 C ATOM 1575 C LYS A 99 -5.544 -9.306 -5.936 1.00 10.00 C ATOM 1576 O LYS A 99 -5.997 -9.803 -4.907 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.559 -7.521 -7.457 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.227 -6.136 -7.398 1.00 10.00 C ATOM 1579 CD LYS A 99 -7.842 -5.704 -8.744 1.00 10.00 C ATOM 1580 CE LYS A 99 -8.869 -4.574 -8.528 1.00 10.00 C ATOM 1581 NZ LYS A 99 -9.244 -3.848 -9.764 1.00 10.00 N ATOM 0 H LYS A 99 -4.387 -6.478 -7.079 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.260 -7.404 -5.335 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.921 -7.581 -8.339 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.324 -8.290 -7.564 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -8.006 -6.147 -6.636 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.489 -5.396 -7.088 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -7.056 -5.365 -9.418 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -8.325 -6.557 -9.221 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.769 -4.997 -8.082 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -8.462 -3.861 -7.811 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -9.618 -2.910 -9.516 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -8.406 -3.737 -10.369 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -9.972 -4.387 -10.276 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.889 -10.046 -6.838 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.679 -11.469 -6.651 1.00 10.00 C ATOM 1597 C LYS A 100 -3.699 -11.700 -5.496 1.00 10.00 C ATOM 1598 O LYS A 100 -3.905 -12.581 -4.663 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.177 -12.081 -7.972 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.836 -13.566 -7.775 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.592 -14.542 -8.691 1.00 10.00 C ATOM 1602 CE LYS A 100 -3.855 -14.873 -9.999 1.00 10.00 C ATOM 1603 NZ LYS A 100 -3.530 -16.314 -10.086 1.00 10.00 N ATOM 0 H LYS A 100 -4.498 -9.673 -7.703 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.614 -11.962 -6.386 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.940 -11.975 -8.743 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.296 -11.541 -8.319 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.766 -13.700 -7.934 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.041 -13.834 -6.739 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.775 -15.468 -8.145 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.566 -14.116 -8.933 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -4.473 -14.586 -10.849 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -2.938 -14.287 -10.060 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -3.033 -16.505 -10.980 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -2.920 -16.581 -9.287 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -4.408 -16.871 -10.052 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.609 -10.937 -5.482 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.472 -11.172 -4.615 1.00 10.00 C ATOM 1619 C ALA A 101 -1.926 -11.202 -3.165 1.00 10.00 C ATOM 1620 O ALA A 101 -1.722 -12.180 -2.468 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.431 -10.080 -4.847 1.00 10.00 C ATOM 0 H ALA A 101 -2.495 -10.124 -6.087 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.020 -12.137 -4.844 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.427 -10.251 -4.197 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.108 -10.101 -5.888 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.868 -9.107 -4.622 1.00 10.00 H new ATOM 1627 N THR A 102 -2.582 -10.128 -2.733 1.00 10.00 N ATOM 1628 CA THR A 102 -3.018 -9.974 -1.357 1.00 10.00 C ATOM 1629 C THR A 102 -4.105 -10.980 -0.998 1.00 10.00 C ATOM 1630 O THR A 102 -4.177 -11.416 0.152 1.00 10.00 O ATOM 1631 CB THR A 102 -3.532 -8.552 -1.165 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.609 -8.307 -2.044 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.412 -7.539 -1.395 1.00 10.00 C ATOM 0 H THR A 102 -2.825 -9.340 -3.333 1.00 10.00 H new ATOM 0 HA THR A 102 -2.172 -10.162 -0.696 1.00 10.00 H new ATOM 0 HB THR A 102 -3.883 -8.442 -0.139 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.262 -8.090 -2.934 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.799 -6.530 -1.253 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.605 -7.721 -0.685 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.031 -7.642 -2.411 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.979 -11.285 -1.963 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.043 -12.262 -1.814 1.00 10.00 C ATOM 1643 C ASN A 103 -5.432 -13.612 -1.436 1.00 10.00 C ATOM 1644 O ASN A 103 -5.810 -14.195 -0.419 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.861 -12.307 -3.116 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.057 -13.252 -3.094 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.141 -14.178 -2.299 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.020 -13.014 -3.983 1.00 10.00 N ATOM 0 H ASN A 103 -4.959 -10.847 -2.884 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.729 -11.989 -1.012 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.216 -11.301 -3.339 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.201 -12.600 -3.932 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.848 -13.609 -4.010 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -8.930 -12.236 -4.637 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.480 -14.084 -2.245 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.890 -15.405 -2.092 1.00 10.00 C ATOM 1657 C GLU A 104 -2.442 -15.362 -1.593 1.00 10.00 C ATOM 1658 O GLU A 104 -2.108 -14.455 -0.805 1.00 10.00 O ATOM 1659 CB GLU A 104 -4.120 -16.218 -3.375 1.00 10.00 C ATOM 1660 CG GLU A 104 -5.485 -16.919 -3.270 1.00 10.00 C ATOM 1661 CD GLU A 104 -5.936 -17.575 -4.570 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -5.218 -17.427 -5.585 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -7.009 -18.213 -4.523 1.00 10.00 O ATOM 1664 OXT GLU A 104 -1.780 -16.417 -1.731 1.00 10.00 O ATOM 0 H GLU A 104 -4.098 -13.553 -3.028 1.00 10.00 H new ATOM 0 HA GLU A 104 -4.400 -15.937 -1.289 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -4.096 -15.565 -4.247 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.326 -16.953 -3.505 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -5.435 -17.677 -2.488 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -6.235 -16.191 -2.961 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.736 4.785 0.998 1.00 10.00 N HETATM 1673 C2 IMD A 105 4.059 3.510 0.711 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.356 2.653 1.468 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.530 3.451 2.262 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.770 4.767 1.982 1.00 10.00 C HETATM 0 HN1 IMD A 105 4.135 5.617 0.564 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.293 5.631 2.445 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.808 3.082 2.990 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.794 3.213 -0.037 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.449 0.686 1.509 1.00 10.00 FE HETATM 1682 CHA HEC A 110 1.031 0.727 3.895 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.119 0.048 -0.894 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.884 0.906 -0.897 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.873 0.758 3.930 1.00 10.00 C HETATM 1686 NA HEC A 110 1.459 0.533 1.487 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.650 0.619 2.580 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.725 0.536 2.129 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.684 0.261 0.783 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.705 0.284 0.391 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.852 -0.059 -0.127 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.982 0.588 2.970 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.019 1.607 4.121 1.00 10.00 C HETATM 1694 CGA HEC A 110 -2.468 0.932 5.419 1.00 10.00 C HETATM 1695 O1A HEC A 110 -3.585 0.371 5.408 1.00 10.00 O HETATM 1696 O2A HEC A 110 -1.694 0.978 6.398 1.00 10.00 O HETATM 1697 NB HEC A 110 3.494 0.524 -0.495 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.429 0.201 -1.276 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.899 0.019 -2.631 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.227 0.369 -2.644 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.599 0.642 -1.277 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.112 -0.498 -3.815 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.141 0.379 -3.854 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.534 1.152 -5.036 1.00 10.00 C HETATM 1705 NC HEC A 110 5.486 0.837 1.508 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.273 0.923 0.408 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.654 1.013 0.820 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.657 0.895 2.192 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.270 0.821 2.613 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.868 1.137 -0.085 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.873 0.767 3.095 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.137 1.536 2.683 1.00 10.00 C HETATM 1713 ND HEC A 110 3.452 0.782 3.526 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.551 0.810 4.317 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.110 0.899 5.694 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.740 0.922 5.680 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.334 0.816 4.300 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.950 0.983 6.947 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.850 1.155 6.883 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.750 2.638 7.281 1.00 10.00 C HETATM 1721 CGD HEC A 110 1.418 3.560 6.090 1.00 10.00 C HETATM 1722 O1D HEC A 110 2.353 3.815 5.297 1.00 10.00 O HETATM 1723 O2D HEC A 110 0.255 4.003 5.935 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.581 0.098 7.022 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.577 1.874 6.906 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.298 1.038 7.819 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.919 0.271 -0.745 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.785 2.045 -0.683 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.772 1.184 0.523 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.756 -1.506 -3.603 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.260 0.156 -3.999 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.752 -0.517 -4.697 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.358 -0.955 0.232 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.552 0.777 -0.128 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.488 -0.229 -1.140 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 0.983 2.752 8.047 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 2.694 2.954 7.726 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.467 1.195 1.701 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.917 2.603 2.642 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.926 1.357 3.413 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.592 0.689 -5.328 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.354 2.186 -4.741 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.226 1.131 -5.878 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -1.031 2.048 4.256 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -2.700 2.421 3.873 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.851 0.774 6.668 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.234 0.583 7.728 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -2.822 0.796 2.308 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.147 -0.403 3.392 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.638 0.663 4.701 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.627 1.111 -1.668 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.386 -0.271 -1.635 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.252 0.743 4.657 1.00 10.00 H new HETATM 0 H2D HEC A 110 0.280 4.793 5.355 1.00 10.00 H new HETATM 0 H2A HEC A 110 -1.582 0.078 6.769 1.00 10.00 H new