USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 947 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 ASN : amide:sc= -0.926 K(o=0.67,f=-2.2!) USER MOD Set 1.2: A 110 GLN : amide:sc= 1.6 K(o=0.67,f=-7.9!) USER MOD Set 2.1: A 35 SER OG : rot 136:sc= 2.3 USER MOD Set 2.2: A 39 LYS NZ :NH3+ 168:sc= 1.15 (180deg=0.000369) USER MOD Set 3.1: A 12 GLN : amide:sc= 1.04 K(o=3.5,f=-0.44!) USER MOD Set 3.2: A 44 TYR OH : rot -156:sc= 0.865 USER MOD Set 3.3: A 104 TYR OH : rot -153:sc= 1.56 USER MOD Single : A 1 MET CE :methyl -135:sc= -0.191 (180deg=-2.42!) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.0394 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 107:sc= 1.28 USER MOD Single : A 18 THR OG1 : rot 85:sc= 1.09 USER MOD Single : A 21 LYS NZ :NH3+ 169:sc=-0.00483 (180deg=-0.126) USER MOD Single : A 22 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 170:sc=-0.00831 (180deg=-0.0983) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.693 K(o=-0.69,f=-0.081) USER MOD Single : A 42 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.19) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 170:sc=-0.00814 (180deg=-0.108) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.323 K(o=-0.32,f=-5.7!) USER MOD Single : A 55 MET CE :methyl 168:sc= -1.53 (180deg=-1.87!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 59 ASN : amide:sc= 0.472 K(o=0.47,f=-0.49) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.11) USER MOD Single : A 77 GLN : amide:sc= 0.666 K(o=0.67,f=0) USER MOD Single : A 78 SER OG : rot -173:sc= -0.414 USER MOD Single : A 80 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0584) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00153 USER MOD Single : A 98 ASN : amide:sc= -0.964 X(o=-0.96,f=-1.4) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= 0.326 (180deg=-1.01) USER MOD Single : A 102 SER OG : rot -16:sc= 0.439 USER MOD Single : A 105 THR OG1 : rot -113:sc= 0.797 USER MOD Single : A 107 MET CE :methyl 177:sc= -0.8 (180deg=-0.804) USER MOD Single : A 116 LYS NZ :NH3+ -165:sc= -0.0105 (180deg=-0.271) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.539 20.143 -10.674 1.00 0.00 N ATOM 2 CA MET A 1 -7.854 19.138 -9.871 1.00 0.00 C ATOM 3 C MET A 1 -6.429 18.993 -10.325 1.00 0.00 C ATOM 4 O MET A 1 -6.143 19.064 -11.520 1.00 0.00 O ATOM 5 CB MET A 1 -8.558 17.767 -9.917 1.00 0.00 C ATOM 6 CG MET A 1 -8.756 17.196 -11.315 1.00 0.00 C ATOM 7 SD MET A 1 -9.325 15.486 -11.311 1.00 0.00 S ATOM 8 CE MET A 1 -7.829 14.650 -10.791 1.00 0.00 C ATOM 0 H1 MET A 1 -9.547 19.898 -10.752 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.443 21.074 -10.221 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.117 20.175 -11.624 1.00 0.00 H new ATOM 0 HA MET A 1 -7.879 19.484 -8.838 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.977 17.056 -9.329 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.532 17.858 -9.436 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.478 17.811 -11.852 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.815 17.258 -11.862 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.666 13.772 -11.417 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.981 15.328 -10.889 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.928 14.341 -9.751 1.00 0.00 H new ATOM 20 N ALA A 2 -5.538 18.828 -9.384 1.00 0.00 N ATOM 21 CA ALA A 2 -4.134 18.588 -9.679 1.00 0.00 C ATOM 22 C ALA A 2 -3.661 17.423 -8.845 1.00 0.00 C ATOM 23 O ALA A 2 -2.482 17.100 -8.773 1.00 0.00 O ATOM 24 CB ALA A 2 -3.308 19.828 -9.405 1.00 0.00 C ATOM 0 H ALA A 2 -5.756 18.855 -8.388 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.014 18.349 -10.736 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.261 19.626 -9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.663 20.647 -10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.404 20.105 -8.355 1.00 0.00 H new ATOM 30 N GLU A 3 -4.613 16.807 -8.240 1.00 0.00 N ATOM 31 CA GLU A 3 -4.447 15.701 -7.370 1.00 0.00 C ATOM 32 C GLU A 3 -5.716 14.879 -7.444 1.00 0.00 C ATOM 33 O GLU A 3 -6.778 15.406 -7.822 1.00 0.00 O ATOM 34 CB GLU A 3 -4.207 16.183 -5.912 1.00 0.00 C ATOM 35 CG GLU A 3 -5.353 17.003 -5.261 1.00 0.00 C ATOM 36 CD GLU A 3 -5.587 18.368 -5.896 1.00 0.00 C ATOM 37 OE1 GLU A 3 -4.954 19.350 -5.468 1.00 0.00 O ATOM 38 OE2 GLU A 3 -6.413 18.482 -6.834 1.00 0.00 O ATOM 0 H GLU A 3 -5.590 17.080 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.581 15.109 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.016 15.309 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.301 16.789 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.276 16.425 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.130 17.141 -4.203 1.00 0.00 H new ATOM 45 N GLY A 4 -5.626 13.626 -7.147 1.00 0.00 N ATOM 46 CA GLY A 4 -6.794 12.807 -7.143 1.00 0.00 C ATOM 47 C GLY A 4 -6.860 11.895 -8.334 1.00 0.00 C ATOM 48 O GLY A 4 -5.856 11.272 -8.707 1.00 0.00 O ATOM 0 H GLY A 4 -4.759 13.146 -6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.813 12.210 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.679 13.442 -7.126 1.00 0.00 H new ATOM 52 N GLY A 5 -8.018 11.847 -8.963 1.00 0.00 N ATOM 53 CA GLY A 5 -8.254 10.905 -10.036 1.00 0.00 C ATOM 54 C GLY A 5 -8.425 9.570 -9.414 1.00 0.00 C ATOM 55 O GLY A 5 -7.886 8.554 -9.869 1.00 0.00 O ATOM 0 H GLY A 5 -8.811 12.451 -8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.142 11.182 -10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.418 10.900 -10.735 1.00 0.00 H new ATOM 59 N ALA A 6 -9.182 9.586 -8.353 1.00 0.00 N ATOM 60 CA ALA A 6 -9.299 8.475 -7.499 1.00 0.00 C ATOM 61 C ALA A 6 -10.399 7.539 -7.859 1.00 0.00 C ATOM 62 O ALA A 6 -11.472 7.935 -8.326 1.00 0.00 O ATOM 63 CB ALA A 6 -9.374 8.913 -6.056 1.00 0.00 C ATOM 0 H ALA A 6 -9.737 10.392 -8.067 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.388 7.892 -7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.464 8.037 -5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.470 9.463 -5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.243 9.556 -5.916 1.00 0.00 H new ATOM 69 N ALA A 7 -10.094 6.291 -7.658 1.00 0.00 N ATOM 70 CA ALA A 7 -10.998 5.211 -7.855 1.00 0.00 C ATOM 71 C ALA A 7 -11.998 5.190 -6.736 1.00 0.00 C ATOM 72 O ALA A 7 -11.723 5.707 -5.644 1.00 0.00 O ATOM 73 CB ALA A 7 -10.218 3.937 -7.810 1.00 0.00 C ATOM 0 H ALA A 7 -9.172 5.993 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.511 5.323 -8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.891 3.093 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.465 3.944 -8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.729 3.844 -6.841 1.00 0.00 H new ATOM 79 N ASP A 8 -13.143 4.603 -6.989 1.00 0.00 N ATOM 80 CA ASP A 8 -14.142 4.424 -5.951 1.00 0.00 C ATOM 81 C ASP A 8 -13.661 3.435 -4.961 1.00 0.00 C ATOM 82 O ASP A 8 -12.900 2.581 -5.303 1.00 0.00 O ATOM 83 CB ASP A 8 -15.469 3.961 -6.522 1.00 0.00 C ATOM 84 CG ASP A 8 -16.519 3.694 -5.453 1.00 0.00 C ATOM 85 OD1 ASP A 8 -17.169 4.652 -4.977 1.00 0.00 O ATOM 86 OD2 ASP A 8 -16.710 2.531 -5.064 1.00 0.00 O ATOM 0 H ASP A 8 -13.411 4.239 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.299 5.390 -5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.845 4.717 -7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.311 3.052 -7.102 1.00 0.00 H new ATOM 91 N LEU A 9 -14.109 3.574 -3.741 1.00 0.00 N ATOM 92 CA LEU A 9 -13.825 2.705 -2.622 1.00 0.00 C ATOM 93 C LEU A 9 -13.844 1.262 -3.002 1.00 0.00 C ATOM 94 O LEU A 9 -12.880 0.526 -2.818 1.00 0.00 O ATOM 95 CB LEU A 9 -14.949 2.928 -1.663 1.00 0.00 C ATOM 96 CG LEU A 9 -14.823 4.056 -0.705 1.00 0.00 C ATOM 97 CD1 LEU A 9 -13.859 3.641 0.325 1.00 0.00 C ATOM 98 CD2 LEU A 9 -14.372 5.368 -1.349 1.00 0.00 C ATOM 0 H LEU A 9 -14.722 4.347 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.835 2.928 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.860 3.080 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.086 2.012 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.808 4.265 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.736 4.443 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.227 2.748 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.898 3.424 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.304 6.143 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.396 5.229 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.095 5.668 -2.107 1.00 0.00 H new ATOM 110 N ASP A 10 -14.907 0.908 -3.603 1.00 0.00 N ATOM 111 CA ASP A 10 -15.157 -0.502 -3.973 1.00 0.00 C ATOM 112 C ASP A 10 -14.212 -0.929 -5.057 1.00 0.00 C ATOM 113 O ASP A 10 -13.758 -2.076 -5.109 1.00 0.00 O ATOM 114 CB ASP A 10 -16.609 -0.733 -4.384 1.00 0.00 C ATOM 115 CG ASP A 10 -16.876 -2.151 -4.840 1.00 0.00 C ATOM 116 OD1 ASP A 10 -17.004 -3.056 -3.988 1.00 0.00 O ATOM 117 OD2 ASP A 10 -17.007 -2.375 -6.064 1.00 0.00 O ATOM 0 H ASP A 10 -15.651 1.552 -3.870 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.976 -1.117 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.261 -0.499 -3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.867 -0.044 -5.188 1.00 0.00 H new ATOM 122 N THR A 11 -13.859 0.011 -5.859 1.00 0.00 N ATOM 123 CA THR A 11 -12.966 -0.167 -6.892 1.00 0.00 C ATOM 124 C THR A 11 -11.536 -0.298 -6.358 1.00 0.00 C ATOM 125 O THR A 11 -10.828 -1.181 -6.760 1.00 0.00 O ATOM 126 CB THR A 11 -13.087 1.038 -7.805 1.00 0.00 C ATOM 127 OG1 THR A 11 -14.314 1.012 -8.540 1.00 0.00 O ATOM 128 CG2 THR A 11 -11.911 1.195 -8.688 1.00 0.00 C ATOM 0 H THR A 11 -14.216 0.964 -5.789 1.00 0.00 H new ATOM 0 HA THR A 11 -13.191 -1.085 -7.436 1.00 0.00 H new ATOM 0 HB THR A 11 -13.109 1.922 -7.168 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.366 1.801 -9.119 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.046 2.071 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.014 1.321 -8.081 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.804 0.308 -9.313 1.00 0.00 H new ATOM 136 N GLN A 12 -11.164 0.561 -5.412 1.00 0.00 N ATOM 137 CA GLN A 12 -9.800 0.639 -4.916 1.00 0.00 C ATOM 138 C GLN A 12 -9.318 -0.713 -4.375 1.00 0.00 C ATOM 139 O GLN A 12 -8.316 -1.243 -4.846 1.00 0.00 O ATOM 140 CB GLN A 12 -9.643 1.693 -3.835 1.00 0.00 C ATOM 141 CG GLN A 12 -10.275 3.050 -4.101 1.00 0.00 C ATOM 142 CD GLN A 12 -9.915 4.106 -3.058 1.00 0.00 C ATOM 143 OE1 GLN A 12 -9.621 3.797 -1.907 1.00 0.00 O ATOM 144 NE2 GLN A 12 -10.023 5.358 -3.430 1.00 0.00 N ATOM 0 H GLN A 12 -11.803 1.221 -4.970 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.185 0.923 -5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.065 1.297 -2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.578 1.843 -3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.962 3.401 -5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.359 2.937 -4.133 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.269 5.584 -4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.861 6.106 -2.756 1.00 0.00 H new ATOM 153 N ARG A 13 -10.046 -1.269 -3.394 1.00 0.00 N ATOM 154 CA ARG A 13 -9.724 -2.598 -2.833 1.00 0.00 C ATOM 155 C ARG A 13 -9.603 -3.662 -3.912 1.00 0.00 C ATOM 156 O ARG A 13 -8.707 -4.495 -3.882 1.00 0.00 O ATOM 157 CB ARG A 13 -10.762 -3.043 -1.795 1.00 0.00 C ATOM 158 CG ARG A 13 -12.166 -2.615 -2.119 1.00 0.00 C ATOM 159 CD ARG A 13 -13.220 -3.597 -1.657 1.00 0.00 C ATOM 160 NE ARG A 13 -13.034 -4.926 -2.254 1.00 0.00 N ATOM 161 CZ ARG A 13 -13.976 -5.624 -2.908 1.00 0.00 C ATOM 162 NH1 ARG A 13 -15.125 -5.048 -3.285 1.00 0.00 N ATOM 163 NH2 ARG A 13 -13.729 -6.877 -3.258 1.00 0.00 N ATOM 0 H ARG A 13 -10.860 -0.823 -2.971 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.756 -2.490 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.734 -4.129 -1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.485 -2.639 -0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.357 -1.646 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.256 -2.479 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.187 -3.680 -0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.208 -3.218 -1.918 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.113 -5.354 -2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.295 -4.064 -3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.830 -5.593 -3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.830 -7.302 -3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.437 -7.417 -3.755 1.00 0.00 H new ATOM 177 N SER A 14 -10.486 -3.608 -4.852 1.00 0.00 N ATOM 178 CA SER A 14 -10.534 -4.548 -5.936 1.00 0.00 C ATOM 179 C SER A 14 -9.343 -4.366 -6.897 1.00 0.00 C ATOM 180 O SER A 14 -8.659 -5.334 -7.271 1.00 0.00 O ATOM 181 CB SER A 14 -11.816 -4.292 -6.655 1.00 0.00 C ATOM 182 OG SER A 14 -12.925 -4.563 -5.824 1.00 0.00 O ATOM 0 H SER A 14 -11.214 -2.895 -4.894 1.00 0.00 H new ATOM 0 HA SER A 14 -10.477 -5.569 -5.557 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.850 -3.254 -6.986 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.866 -4.914 -7.549 1.00 0.00 H new ATOM 0 HG SER A 14 -13.337 -3.719 -5.542 1.00 0.00 H new ATOM 188 N ASP A 15 -9.101 -3.129 -7.259 1.00 0.00 N ATOM 189 CA ASP A 15 -8.053 -2.732 -8.189 1.00 0.00 C ATOM 190 C ASP A 15 -6.696 -3.114 -7.655 1.00 0.00 C ATOM 191 O ASP A 15 -5.861 -3.672 -8.372 1.00 0.00 O ATOM 192 CB ASP A 15 -8.102 -1.217 -8.396 1.00 0.00 C ATOM 193 CG ASP A 15 -7.103 -0.729 -9.413 1.00 0.00 C ATOM 194 OD1 ASP A 15 -5.937 -0.528 -9.077 1.00 0.00 O ATOM 195 OD2 ASP A 15 -7.483 -0.541 -10.599 1.00 0.00 O ATOM 0 H ASP A 15 -9.642 -2.339 -6.907 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.217 -3.245 -9.137 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.105 -0.932 -8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.916 -0.720 -7.444 1.00 0.00 H new ATOM 200 N ILE A 16 -6.503 -2.862 -6.390 1.00 0.00 N ATOM 201 CA ILE A 16 -5.265 -3.134 -5.752 1.00 0.00 C ATOM 202 C ILE A 16 -5.072 -4.615 -5.554 1.00 0.00 C ATOM 203 O ILE A 16 -3.980 -5.119 -5.784 1.00 0.00 O ATOM 204 CB ILE A 16 -5.131 -2.344 -4.437 1.00 0.00 C ATOM 205 CG1 ILE A 16 -5.093 -0.835 -4.725 1.00 0.00 C ATOM 206 CG2 ILE A 16 -3.941 -2.782 -3.619 1.00 0.00 C ATOM 207 CD1 ILE A 16 -4.021 -0.404 -5.719 1.00 0.00 C ATOM 0 H ILE A 16 -7.212 -2.459 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.462 -2.794 -6.406 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.011 -2.561 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.067 -0.527 -5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.934 -0.304 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.893 -2.194 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.041 -3.838 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.028 -2.631 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.069 0.676 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.038 -0.676 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.188 -0.903 -6.674 1.00 0.00 H new ATOM 219 N ALA A 17 -6.156 -5.333 -5.239 1.00 0.00 N ATOM 220 CA ALA A 17 -6.081 -6.779 -5.040 1.00 0.00 C ATOM 221 C ALA A 17 -5.624 -7.415 -6.332 1.00 0.00 C ATOM 222 O ALA A 17 -4.792 -8.311 -6.354 1.00 0.00 O ATOM 223 CB ALA A 17 -7.434 -7.328 -4.628 1.00 0.00 C ATOM 0 H ALA A 17 -7.088 -4.937 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.372 -7.007 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.361 -8.406 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.749 -6.858 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.166 -7.115 -5.407 1.00 0.00 H new ATOM 229 N THR A 18 -6.106 -6.838 -7.403 1.00 0.00 N ATOM 230 CA THR A 18 -5.822 -7.199 -8.734 1.00 0.00 C ATOM 231 C THR A 18 -4.322 -7.031 -9.065 1.00 0.00 C ATOM 232 O THR A 18 -3.734 -7.809 -9.811 1.00 0.00 O ATOM 233 CB THR A 18 -6.701 -6.295 -9.607 1.00 0.00 C ATOM 234 OG1 THR A 18 -8.072 -6.706 -9.578 1.00 0.00 O ATOM 235 CG2 THR A 18 -6.171 -6.065 -10.998 1.00 0.00 C ATOM 0 H THR A 18 -6.751 -6.050 -7.344 1.00 0.00 H new ATOM 0 HA THR A 18 -6.038 -8.252 -8.913 1.00 0.00 H new ATOM 0 HB THR A 18 -6.656 -5.306 -9.151 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.517 -6.305 -8.803 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.854 -5.415 -11.545 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.190 -5.593 -10.940 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.084 -7.020 -11.517 1.00 0.00 H new ATOM 243 N LEU A 19 -3.711 -6.073 -8.498 1.00 0.00 N ATOM 244 CA LEU A 19 -2.347 -5.829 -8.794 1.00 0.00 C ATOM 245 C LEU A 19 -1.416 -6.677 -7.929 1.00 0.00 C ATOM 246 O LEU A 19 -0.260 -6.850 -8.246 1.00 0.00 O ATOM 247 CB LEU A 19 -2.095 -4.328 -8.776 1.00 0.00 C ATOM 248 CG LEU A 19 -2.922 -3.595 -9.859 1.00 0.00 C ATOM 249 CD1 LEU A 19 -2.908 -2.108 -9.692 1.00 0.00 C ATOM 250 CD2 LEU A 19 -2.438 -3.963 -11.255 1.00 0.00 C ATOM 0 H LEU A 19 -4.129 -5.436 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.106 -6.161 -9.804 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.347 -3.929 -7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.034 -4.135 -8.936 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.952 -3.928 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.504 -1.648 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.327 -1.847 -8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.882 -1.745 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.035 -3.435 -11.998 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.391 -3.680 -11.363 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.541 -5.038 -11.404 1.00 0.00 H new ATOM 262 N LEU A 20 -1.969 -7.264 -6.880 1.00 0.00 N ATOM 263 CA LEU A 20 -1.208 -8.156 -5.990 1.00 0.00 C ATOM 264 C LEU A 20 -1.229 -9.560 -6.546 1.00 0.00 C ATOM 265 O LEU A 20 -0.335 -10.362 -6.300 1.00 0.00 O ATOM 266 CB LEU A 20 -1.869 -8.224 -4.621 1.00 0.00 C ATOM 267 CG LEU A 20 -2.359 -6.915 -4.067 1.00 0.00 C ATOM 268 CD1 LEU A 20 -3.015 -7.122 -2.717 1.00 0.00 C ATOM 269 CD2 LEU A 20 -1.241 -5.885 -3.972 1.00 0.00 C ATOM 0 H LEU A 20 -2.947 -7.144 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.192 -7.768 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.713 -8.911 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.157 -8.652 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.103 -6.522 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.364 -6.164 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.862 -7.800 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.292 -7.551 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.638 -4.954 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.455 -6.260 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.829 -5.703 -4.965 1.00 0.00 H new ATOM 281 N LYS A 21 -2.272 -9.849 -7.291 1.00 0.00 N ATOM 282 CA LYS A 21 -2.506 -11.181 -7.804 1.00 0.00 C ATOM 283 C LYS A 21 -1.849 -11.384 -9.143 1.00 0.00 C ATOM 284 O LYS A 21 -1.822 -12.479 -9.704 1.00 0.00 O ATOM 285 CB LYS A 21 -3.994 -11.480 -7.811 1.00 0.00 C ATOM 286 CG LYS A 21 -4.868 -10.473 -8.474 1.00 0.00 C ATOM 287 CD LYS A 21 -4.845 -10.542 -10.010 1.00 0.00 C ATOM 288 CE LYS A 21 -5.444 -11.830 -10.550 1.00 0.00 C ATOM 289 NZ LYS A 21 -6.885 -11.951 -10.238 1.00 0.00 N ATOM 0 H LYS A 21 -2.982 -9.168 -7.559 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.036 -11.906 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.147 -12.441 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.325 -11.593 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.893 -10.613 -8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.559 -9.476 -8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.395 -9.693 -10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.816 -10.451 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.304 -11.869 -11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.910 -12.682 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.292 -12.742 -10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.006 -12.128 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.371 -11.069 -10.497 1.00 0.00 H new ATOM 303 N THR A 22 -1.354 -10.309 -9.630 1.00 0.00 N ATOM 304 CA THR A 22 -0.642 -10.215 -10.816 1.00 0.00 C ATOM 305 C THR A 22 0.765 -10.751 -10.641 1.00 0.00 C ATOM 306 O THR A 22 1.424 -10.529 -9.618 1.00 0.00 O ATOM 307 CB THR A 22 -0.644 -8.746 -11.223 1.00 0.00 C ATOM 308 OG1 THR A 22 -1.952 -8.352 -11.697 1.00 0.00 O ATOM 309 CG2 THR A 22 0.400 -8.447 -12.224 1.00 0.00 C ATOM 0 H THR A 22 -1.453 -9.409 -9.161 1.00 0.00 H new ATOM 0 HA THR A 22 -1.102 -10.818 -11.599 1.00 0.00 H new ATOM 0 HB THR A 22 -0.408 -8.159 -10.336 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.533 -8.160 -10.932 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.362 -7.389 -12.485 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.380 -8.683 -11.809 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.230 -9.047 -13.118 1.00 0.00 H new ATOM 317 N SER A 23 1.159 -11.491 -11.610 1.00 0.00 N ATOM 318 CA SER A 23 2.435 -12.069 -11.685 1.00 0.00 C ATOM 319 C SER A 23 3.498 -11.036 -12.053 1.00 0.00 C ATOM 320 O SER A 23 3.260 -10.135 -12.859 1.00 0.00 O ATOM 321 CB SER A 23 2.365 -13.150 -12.709 1.00 0.00 C ATOM 322 OG SER A 23 1.503 -14.197 -12.286 1.00 0.00 O ATOM 0 H SER A 23 0.566 -11.717 -12.408 1.00 0.00 H new ATOM 0 HA SER A 23 2.724 -12.472 -10.714 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.008 -12.739 -13.653 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.363 -13.548 -12.892 1.00 0.00 H new ATOM 0 HG SER A 23 1.472 -14.893 -12.975 1.00 0.00 H new ATOM 328 N LEU A 24 4.653 -11.180 -11.466 1.00 0.00 N ATOM 329 CA LEU A 24 5.738 -10.283 -11.672 1.00 0.00 C ATOM 330 C LEU A 24 6.773 -10.772 -12.688 1.00 0.00 C ATOM 331 O LEU A 24 6.637 -11.847 -13.269 1.00 0.00 O ATOM 332 CB LEU A 24 6.332 -9.830 -10.347 1.00 0.00 C ATOM 333 CG LEU A 24 6.376 -10.844 -9.224 1.00 0.00 C ATOM 334 CD1 LEU A 24 7.238 -11.985 -9.595 1.00 0.00 C ATOM 335 CD2 LEU A 24 6.839 -10.197 -7.944 1.00 0.00 C ATOM 0 H LEU A 24 4.863 -11.941 -10.820 1.00 0.00 H new ATOM 0 HA LEU A 24 5.324 -9.396 -12.151 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.350 -9.488 -10.533 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.764 -8.967 -10.000 1.00 0.00 H new ATOM 0 HG LEU A 24 5.369 -11.226 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.260 -12.706 -8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.842 -12.464 -10.491 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.249 -11.628 -9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.864 -10.942 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.838 -9.784 -8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.151 -9.397 -7.671 1.00 0.00 H new ATOM 347 N ARG A 25 7.784 -9.962 -12.908 1.00 0.00 N ATOM 348 CA ARG A 25 8.782 -10.185 -13.949 1.00 0.00 C ATOM 349 C ARG A 25 10.188 -10.135 -13.372 1.00 0.00 C ATOM 350 O ARG A 25 10.421 -10.628 -12.300 1.00 0.00 O ATOM 351 CB ARG A 25 8.584 -9.097 -15.013 1.00 0.00 C ATOM 352 CG ARG A 25 7.277 -9.205 -15.763 1.00 0.00 C ATOM 353 CD ARG A 25 7.260 -10.499 -16.519 1.00 0.00 C ATOM 354 NE ARG A 25 6.315 -11.502 -15.994 1.00 0.00 N ATOM 355 CZ ARG A 25 5.397 -12.149 -16.739 1.00 0.00 C ATOM 356 NH1 ARG A 25 5.151 -11.760 -17.987 1.00 0.00 N ATOM 357 NH2 ARG A 25 4.710 -13.157 -16.231 1.00 0.00 N ATOM 0 H ARG A 25 7.945 -9.114 -12.364 1.00 0.00 H new ATOM 0 HA ARG A 25 8.659 -11.174 -14.391 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.637 -8.120 -14.533 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.406 -9.147 -15.727 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.438 -9.163 -15.068 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.165 -8.365 -16.449 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.011 -10.294 -17.560 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.264 -10.924 -16.509 1.00 0.00 H new ATOM 0 HE ARG A 25 6.359 -11.721 -14.999 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.658 -10.969 -18.384 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.455 -12.253 -18.547 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.873 -13.451 -15.268 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.017 -13.641 -16.802 1.00 0.00 H new ATOM 371 N LYS A 26 11.129 -9.635 -14.135 1.00 0.00 N ATOM 372 CA LYS A 26 12.468 -9.369 -13.630 1.00 0.00 C ATOM 373 C LYS A 26 12.733 -7.882 -13.779 1.00 0.00 C ATOM 374 O LYS A 26 12.630 -7.347 -14.894 1.00 0.00 O ATOM 375 CB LYS A 26 13.591 -10.170 -14.349 1.00 0.00 C ATOM 376 CG LYS A 26 13.590 -11.688 -14.139 1.00 0.00 C ATOM 377 CD LYS A 26 12.491 -12.384 -14.915 1.00 0.00 C ATOM 378 CE LYS A 26 12.485 -13.890 -14.675 1.00 0.00 C ATOM 379 NZ LYS A 26 12.164 -14.242 -13.274 1.00 0.00 N ATOM 0 H LYS A 26 10.997 -9.400 -15.119 1.00 0.00 H new ATOM 0 HA LYS A 26 12.495 -9.692 -12.589 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.519 -9.974 -15.419 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.554 -9.780 -14.018 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.556 -12.093 -14.441 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.472 -11.904 -13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.525 -11.968 -14.628 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.619 -12.187 -15.979 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.757 -14.357 -15.339 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.461 -14.299 -14.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.006 -15.267 -13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.956 -13.969 -12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.304 -13.738 -12.978 1.00 0.00 H new ATOM 393 N GLY A 27 13.040 -7.216 -12.675 1.00 0.00 N ATOM 394 CA GLY A 27 13.252 -5.772 -12.695 1.00 0.00 C ATOM 395 C GLY A 27 11.957 -5.041 -12.978 1.00 0.00 C ATOM 396 O GLY A 27 11.926 -4.017 -13.648 1.00 0.00 O ATOM 0 H GLY A 27 13.148 -7.648 -11.757 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.656 -5.446 -11.737 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.991 -5.519 -13.455 1.00 0.00 H new ATOM 400 N ASP A 28 10.878 -5.581 -12.439 1.00 0.00 N ATOM 401 CA ASP A 28 9.512 -5.071 -12.707 1.00 0.00 C ATOM 402 C ASP A 28 9.197 -3.830 -11.888 1.00 0.00 C ATOM 403 O ASP A 28 8.265 -3.099 -12.165 1.00 0.00 O ATOM 404 CB ASP A 28 8.500 -6.178 -12.453 1.00 0.00 C ATOM 405 CG ASP A 28 7.103 -5.844 -12.883 1.00 0.00 C ATOM 406 OD1 ASP A 28 6.875 -5.686 -14.077 1.00 0.00 O ATOM 407 OD2 ASP A 28 6.213 -5.790 -12.027 1.00 0.00 O ATOM 0 H ASP A 28 10.905 -6.380 -11.806 1.00 0.00 H new ATOM 0 HA ASP A 28 9.454 -4.770 -13.753 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.824 -7.078 -12.976 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.494 -6.413 -11.389 1.00 0.00 H new ATOM 412 N THR A 29 10.091 -3.572 -11.006 1.00 0.00 N ATOM 413 CA THR A 29 10.063 -2.519 -10.017 1.00 0.00 C ATOM 414 C THR A 29 8.735 -2.439 -9.198 1.00 0.00 C ATOM 415 O THR A 29 7.673 -2.028 -9.695 1.00 0.00 O ATOM 416 CB THR A 29 10.393 -1.176 -10.652 1.00 0.00 C ATOM 417 OG1 THR A 29 11.627 -1.286 -11.413 1.00 0.00 O ATOM 418 CG2 THR A 29 10.514 -0.079 -9.598 1.00 0.00 C ATOM 0 H THR A 29 10.941 -4.132 -10.939 1.00 0.00 H new ATOM 0 HA THR A 29 10.834 -2.777 -9.291 1.00 0.00 H new ATOM 0 HB THR A 29 9.578 -0.902 -11.322 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.837 -0.421 -11.823 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.750 0.868 -10.084 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.571 0.015 -9.060 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.308 -0.335 -8.896 1.00 0.00 H new ATOM 426 N TRP A 30 8.844 -2.790 -7.951 1.00 0.00 N ATOM 427 CA TRP A 30 7.743 -2.811 -7.031 1.00 0.00 C ATOM 428 C TRP A 30 7.970 -1.767 -5.961 1.00 0.00 C ATOM 429 O TRP A 30 9.066 -1.644 -5.439 1.00 0.00 O ATOM 430 CB TRP A 30 7.571 -4.214 -6.441 1.00 0.00 C ATOM 431 CG TRP A 30 6.947 -5.186 -7.448 1.00 0.00 C ATOM 432 CD1 TRP A 30 7.347 -5.437 -8.732 1.00 0.00 C ATOM 433 CD2 TRP A 30 5.793 -6.009 -7.237 1.00 0.00 C ATOM 434 NE1 TRP A 30 6.488 -6.321 -9.332 1.00 0.00 N ATOM 435 CE2 TRP A 30 5.534 -6.698 -8.433 1.00 0.00 C ATOM 436 CE3 TRP A 30 4.956 -6.215 -6.162 1.00 0.00 C ATOM 437 CZ2 TRP A 30 4.455 -7.585 -8.569 1.00 0.00 C ATOM 438 CZ3 TRP A 30 3.894 -7.092 -6.293 1.00 0.00 C ATOM 439 CH2 TRP A 30 3.654 -7.766 -7.488 1.00 0.00 C ATOM 0 H TRP A 30 9.728 -3.079 -7.532 1.00 0.00 H new ATOM 0 HA TRP A 30 6.816 -2.568 -7.551 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.541 -4.595 -6.122 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.942 -4.159 -5.552 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.215 -5.001 -9.205 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.552 -6.645 -10.297 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.127 -5.698 -5.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.269 -8.104 -9.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.238 -7.257 -5.451 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.816 -8.444 -7.556 1.00 0.00 H new ATOM 450 N TYR A 31 6.965 -1.015 -5.655 1.00 0.00 N ATOM 451 CA TYR A 31 7.095 0.098 -4.734 1.00 0.00 C ATOM 452 C TYR A 31 6.505 -0.231 -3.390 1.00 0.00 C ATOM 453 O TYR A 31 5.533 -1.001 -3.302 1.00 0.00 O ATOM 454 CB TYR A 31 6.441 1.332 -5.301 1.00 0.00 C ATOM 455 CG TYR A 31 7.092 1.886 -6.544 1.00 0.00 C ATOM 456 CD1 TYR A 31 6.863 1.323 -7.793 1.00 0.00 C ATOM 457 CD2 TYR A 31 7.926 2.981 -6.467 1.00 0.00 C ATOM 458 CE1 TYR A 31 7.455 1.840 -8.924 1.00 0.00 C ATOM 459 CE2 TYR A 31 8.519 3.508 -7.591 1.00 0.00 C ATOM 460 CZ TYR A 31 8.283 2.934 -8.817 1.00 0.00 C ATOM 461 OH TYR A 31 8.882 3.451 -9.943 1.00 0.00 O ATOM 0 H TYR A 31 6.025 -1.143 -6.029 1.00 0.00 H new ATOM 0 HA TYR A 31 8.159 0.292 -4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.400 1.102 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.437 2.107 -4.535 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.211 0.467 -7.879 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.118 3.434 -5.506 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.271 1.390 -9.888 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.167 4.368 -7.510 1.00 0.00 H new ATOM 0 HH TYR A 31 9.434 4.222 -9.695 1.00 0.00 H new ATOM 471 N LEU A 32 7.093 0.339 -2.358 1.00 0.00 N ATOM 472 CA LEU A 32 6.699 0.051 -0.990 1.00 0.00 C ATOM 473 C LEU A 32 5.685 0.991 -0.432 1.00 0.00 C ATOM 474 O LEU A 32 5.690 2.176 -0.709 1.00 0.00 O ATOM 475 CB LEU A 32 7.881 -0.028 -0.005 1.00 0.00 C ATOM 476 CG LEU A 32 8.864 -1.157 -0.218 1.00 0.00 C ATOM 477 CD1 LEU A 32 9.691 -0.919 -1.426 1.00 0.00 C ATOM 478 CD2 LEU A 32 9.739 -1.371 0.974 1.00 0.00 C ATOM 0 H LEU A 32 7.855 1.012 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 32 6.244 -0.935 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.428 0.914 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.479 -0.112 1.004 1.00 0.00 H new ATOM 0 HG LEU A 32 8.278 -2.064 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.390 -1.745 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.045 -0.848 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.247 0.011 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.429 -2.191 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.305 -0.462 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.122 -1.616 1.839 1.00 0.00 H new ATOM 490 N VAL A 33 4.845 0.416 0.371 1.00 0.00 N ATOM 491 CA VAL A 33 3.838 1.094 1.159 1.00 0.00 C ATOM 492 C VAL A 33 3.978 0.556 2.556 1.00 0.00 C ATOM 493 O VAL A 33 4.282 -0.607 2.714 1.00 0.00 O ATOM 494 CB VAL A 33 2.376 0.792 0.663 1.00 0.00 C ATOM 495 CG1 VAL A 33 1.326 1.352 1.609 1.00 0.00 C ATOM 496 CG2 VAL A 33 2.137 1.373 -0.689 1.00 0.00 C ATOM 0 H VAL A 33 4.835 -0.595 0.509 1.00 0.00 H new ATOM 0 HA VAL A 33 3.987 2.171 1.086 1.00 0.00 H new ATOM 0 HB VAL A 33 2.286 -0.294 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.332 1.120 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.449 0.905 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.443 2.433 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.119 1.149 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.275 2.453 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.842 0.942 -1.400 1.00 0.00 H new ATOM 506 N ASP A 34 3.841 1.383 3.545 1.00 0.00 N ATOM 507 CA ASP A 34 3.828 0.911 4.919 1.00 0.00 C ATOM 508 C ASP A 34 2.595 0.034 5.094 1.00 0.00 C ATOM 509 O ASP A 34 1.476 0.431 4.715 1.00 0.00 O ATOM 510 CB ASP A 34 3.774 2.098 5.880 1.00 0.00 C ATOM 511 CG ASP A 34 3.909 1.755 7.352 1.00 0.00 C ATOM 512 OD1 ASP A 34 3.285 0.799 7.842 1.00 0.00 O ATOM 513 OD2 ASP A 34 4.594 2.515 8.061 1.00 0.00 O ATOM 0 H ASP A 34 3.736 2.392 3.440 1.00 0.00 H new ATOM 0 HA ASP A 34 4.732 0.342 5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.568 2.795 5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.829 2.620 5.732 1.00 0.00 H new ATOM 518 N SER A 35 2.794 -1.123 5.668 1.00 0.00 N ATOM 519 CA SER A 35 1.754 -2.105 5.842 1.00 0.00 C ATOM 520 C SER A 35 0.617 -1.528 6.683 1.00 0.00 C ATOM 521 O SER A 35 -0.556 -1.743 6.398 1.00 0.00 O ATOM 522 CB SER A 35 2.337 -3.307 6.568 1.00 0.00 C ATOM 523 OG SER A 35 1.375 -4.303 6.789 1.00 0.00 O ATOM 0 H SER A 35 3.700 -1.416 6.035 1.00 0.00 H new ATOM 0 HA SER A 35 1.366 -2.394 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.159 -3.720 5.984 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.754 -2.987 7.523 1.00 0.00 H new ATOM 0 HG SER A 35 1.756 -5.180 6.574 1.00 0.00 H new ATOM 529 N ARG A 36 0.983 -0.738 7.664 1.00 0.00 N ATOM 530 CA ARG A 36 0.055 -0.196 8.632 1.00 0.00 C ATOM 531 C ARG A 36 -0.870 0.803 7.987 1.00 0.00 C ATOM 532 O ARG A 36 -2.059 0.875 8.327 1.00 0.00 O ATOM 533 CB ARG A 36 0.841 0.438 9.741 1.00 0.00 C ATOM 534 CG ARG A 36 1.723 -0.555 10.449 1.00 0.00 C ATOM 535 CD ARG A 36 2.658 0.128 11.404 1.00 0.00 C ATOM 536 NE ARG A 36 3.606 1.003 10.707 1.00 0.00 N ATOM 537 CZ ARG A 36 4.535 1.764 11.305 1.00 0.00 C ATOM 538 NH1 ARG A 36 4.622 1.820 12.628 1.00 0.00 N ATOM 539 NH2 ARG A 36 5.354 2.484 10.577 1.00 0.00 N ATOM 0 H ARG A 36 1.949 -0.448 7.816 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.566 -0.996 9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.454 1.243 9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.156 0.890 10.458 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.105 -1.271 10.991 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.298 -1.121 9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.082 0.714 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.207 -0.622 11.974 1.00 0.00 H new ATOM 0 HE ARG A 36 3.555 1.036 9.689 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.977 1.280 13.205 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.334 2.403 13.068 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.283 2.464 9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.062 3.064 11.028 1.00 0.00 H new ATOM 553 N TRP A 37 -0.343 1.528 7.019 1.00 0.00 N ATOM 554 CA TRP A 37 -1.129 2.497 6.282 1.00 0.00 C ATOM 555 C TRP A 37 -2.182 1.738 5.487 1.00 0.00 C ATOM 556 O TRP A 37 -3.358 2.080 5.487 1.00 0.00 O ATOM 557 CB TRP A 37 -0.219 3.340 5.343 1.00 0.00 C ATOM 558 CG TRP A 37 -0.964 4.334 4.472 1.00 0.00 C ATOM 559 CD1 TRP A 37 -1.163 5.663 4.710 1.00 0.00 C ATOM 560 CD2 TRP A 37 -1.614 4.054 3.225 1.00 0.00 C ATOM 561 NE1 TRP A 37 -1.895 6.216 3.685 1.00 0.00 N ATOM 562 CE2 TRP A 37 -2.186 5.246 2.767 1.00 0.00 C ATOM 563 CE3 TRP A 37 -1.761 2.906 2.464 1.00 0.00 C ATOM 564 CZ2 TRP A 37 -2.901 5.316 1.573 1.00 0.00 C ATOM 565 CZ3 TRP A 37 -2.456 2.960 1.299 1.00 0.00 C ATOM 566 CH2 TRP A 37 -3.026 4.159 0.850 1.00 0.00 C ATOM 0 H TRP A 37 0.631 1.463 6.724 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.613 3.192 6.968 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.507 3.881 5.950 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.344 2.663 4.700 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.800 6.200 5.574 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.176 7.194 3.620 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.326 1.975 2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.338 6.243 1.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.572 2.063 0.708 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.573 4.171 -0.081 1.00 0.00 H new ATOM 577 N PHE A 38 -1.740 0.690 4.833 1.00 0.00 N ATOM 578 CA PHE A 38 -2.594 -0.145 4.035 1.00 0.00 C ATOM 579 C PHE A 38 -3.637 -0.857 4.902 1.00 0.00 C ATOM 580 O PHE A 38 -4.766 -0.977 4.494 1.00 0.00 O ATOM 581 CB PHE A 38 -1.751 -1.138 3.296 1.00 0.00 C ATOM 582 CG PHE A 38 -2.438 -1.866 2.167 1.00 0.00 C ATOM 583 CD1 PHE A 38 -3.158 -3.031 2.393 1.00 0.00 C ATOM 584 CD2 PHE A 38 -2.304 -1.410 0.869 1.00 0.00 C ATOM 585 CE1 PHE A 38 -3.736 -3.717 1.345 1.00 0.00 C ATOM 586 CE2 PHE A 38 -2.868 -2.093 -0.178 1.00 0.00 C ATOM 587 CZ PHE A 38 -3.589 -3.251 0.058 1.00 0.00 C ATOM 0 H PHE A 38 -0.764 0.393 4.843 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.135 0.476 3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.880 -0.620 2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.382 -1.876 4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.267 -3.405 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.748 -0.504 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.302 -4.617 1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.750 -1.727 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.035 -3.788 -0.766 1.00 0.00 H new ATOM 597 N LYS A 39 -3.247 -1.364 6.084 1.00 0.00 N ATOM 598 CA LYS A 39 -4.205 -1.922 7.013 1.00 0.00 C ATOM 599 C LYS A 39 -5.315 -0.924 7.356 1.00 0.00 C ATOM 600 O LYS A 39 -6.483 -1.300 7.445 1.00 0.00 O ATOM 601 CB LYS A 39 -3.540 -2.448 8.285 1.00 0.00 C ATOM 602 CG LYS A 39 -3.262 -3.956 8.308 1.00 0.00 C ATOM 603 CD LYS A 39 -1.945 -4.466 7.667 1.00 0.00 C ATOM 604 CE LYS A 39 -1.917 -4.420 6.144 1.00 0.00 C ATOM 605 NZ LYS A 39 -0.850 -5.276 5.590 1.00 0.00 N ATOM 0 H LYS A 39 -2.279 -1.392 6.404 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.662 -2.772 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.597 -1.920 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.175 -2.200 9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.274 -4.281 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.092 -4.456 7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.116 -3.870 8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.775 -5.493 7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.882 -4.743 5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.767 -3.392 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.987 -5.381 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.076 -4.839 5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.886 -6.212 6.042 1.00 0.00 H new ATOM 619 N GLN A 40 -4.951 0.338 7.505 1.00 0.00 N ATOM 620 CA GLN A 40 -5.881 1.386 7.741 1.00 0.00 C ATOM 621 C GLN A 40 -6.786 1.563 6.519 1.00 0.00 C ATOM 622 O GLN A 40 -8.010 1.747 6.643 1.00 0.00 O ATOM 623 CB GLN A 40 -5.079 2.635 7.985 1.00 0.00 C ATOM 624 CG GLN A 40 -5.879 3.855 8.180 1.00 0.00 C ATOM 625 CD GLN A 40 -6.708 3.806 9.417 1.00 0.00 C ATOM 626 OE1 GLN A 40 -6.277 4.217 10.487 1.00 0.00 O ATOM 627 NE2 GLN A 40 -7.881 3.312 9.301 1.00 0.00 N ATOM 0 H GLN A 40 -3.981 0.650 7.462 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.518 1.164 8.597 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.455 2.483 8.865 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.407 2.789 7.141 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.214 4.717 8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.529 4.000 7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.207 2.979 8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.491 3.250 10.116 1.00 0.00 H new ATOM 636 N TRP A 41 -6.174 1.493 5.362 1.00 0.00 N ATOM 637 CA TRP A 41 -6.859 1.597 4.103 1.00 0.00 C ATOM 638 C TRP A 41 -7.848 0.449 3.922 1.00 0.00 C ATOM 639 O TRP A 41 -8.941 0.673 3.455 1.00 0.00 O ATOM 640 CB TRP A 41 -5.841 1.669 2.953 1.00 0.00 C ATOM 641 CG TRP A 41 -6.439 1.732 1.581 1.00 0.00 C ATOM 642 CD1 TRP A 41 -7.001 2.813 0.965 1.00 0.00 C ATOM 643 CD2 TRP A 41 -6.504 0.666 0.653 1.00 0.00 C ATOM 644 NE1 TRP A 41 -7.437 2.469 -0.286 1.00 0.00 N ATOM 645 CE2 TRP A 41 -7.128 1.152 -0.506 1.00 0.00 C ATOM 646 CE3 TRP A 41 -6.099 -0.664 0.688 1.00 0.00 C ATOM 647 CZ2 TRP A 41 -7.345 0.356 -1.609 1.00 0.00 C ATOM 648 CZ3 TRP A 41 -6.320 -1.448 -0.417 1.00 0.00 C ATOM 649 CH2 TRP A 41 -6.934 -0.935 -1.546 1.00 0.00 C ATOM 0 H TRP A 41 -5.167 1.360 5.271 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.441 2.519 4.092 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.212 2.547 3.099 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.190 0.797 3.009 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.089 3.797 1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.912 3.088 -0.943 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.621 -1.072 1.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.826 0.746 -2.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.010 -2.482 -0.405 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.090 -1.579 -2.399 1.00 0.00 H new ATOM 660 N LYS A 42 -7.475 -0.771 4.333 1.00 0.00 N ATOM 661 CA LYS A 42 -8.362 -1.921 4.231 1.00 0.00 C ATOM 662 C LYS A 42 -9.666 -1.699 4.969 1.00 0.00 C ATOM 663 O LYS A 42 -10.727 -2.081 4.480 1.00 0.00 O ATOM 664 CB LYS A 42 -7.704 -3.163 4.755 1.00 0.00 C ATOM 665 CG LYS A 42 -6.421 -3.506 4.058 1.00 0.00 C ATOM 666 CD LYS A 42 -5.997 -4.907 4.368 1.00 0.00 C ATOM 667 CE LYS A 42 -5.768 -5.161 5.835 1.00 0.00 C ATOM 668 NZ LYS A 42 -5.774 -6.606 6.151 1.00 0.00 N ATOM 0 H LYS A 42 -6.563 -0.979 4.739 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.581 -2.048 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.506 -3.037 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.396 -3.999 4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.546 -3.391 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.640 -2.810 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.759 -5.596 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.080 -5.128 3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.814 -4.728 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.542 -4.659 6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.835 -6.736 7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.593 -7.057 5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.898 -7.042 5.798 1.00 0.00 H new ATOM 682 N LYS A 43 -9.568 -1.080 6.133 1.00 0.00 N ATOM 683 CA LYS A 43 -10.726 -0.722 6.939 1.00 0.00 C ATOM 684 C LYS A 43 -11.612 0.234 6.170 1.00 0.00 C ATOM 685 O LYS A 43 -12.818 0.039 6.040 1.00 0.00 O ATOM 686 CB LYS A 43 -10.243 -0.003 8.183 1.00 0.00 C ATOM 687 CG LYS A 43 -9.506 -0.860 9.169 1.00 0.00 C ATOM 688 CD LYS A 43 -8.883 -0.003 10.239 1.00 0.00 C ATOM 689 CE LYS A 43 -8.511 -0.831 11.438 1.00 0.00 C ATOM 690 NZ LYS A 43 -7.757 -0.067 12.458 1.00 0.00 N ATOM 0 H LYS A 43 -8.677 -0.809 6.550 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.281 -1.625 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.592 0.817 7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.103 0.442 8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.190 -1.578 9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.734 -1.434 8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.996 0.492 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.580 0.781 10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.418 -1.233 11.890 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.912 -1.682 11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.529 -0.689 13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.877 0.296 12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.335 0.730 12.792 1.00 0.00 H new ATOM 704 N TYR A 44 -10.964 1.230 5.638 1.00 0.00 N ATOM 705 CA TYR A 44 -11.562 2.328 4.938 1.00 0.00 C ATOM 706 C TYR A 44 -12.215 1.907 3.640 1.00 0.00 C ATOM 707 O TYR A 44 -13.275 2.381 3.281 1.00 0.00 O ATOM 708 CB TYR A 44 -10.445 3.368 4.701 1.00 0.00 C ATOM 709 CG TYR A 44 -10.593 4.193 3.460 1.00 0.00 C ATOM 710 CD1 TYR A 44 -11.499 5.233 3.358 1.00 0.00 C ATOM 711 CD2 TYR A 44 -9.818 3.886 2.367 1.00 0.00 C ATOM 712 CE1 TYR A 44 -11.616 5.933 2.169 1.00 0.00 C ATOM 713 CE2 TYR A 44 -9.920 4.570 1.207 1.00 0.00 C ATOM 714 CZ TYR A 44 -10.809 5.580 1.097 1.00 0.00 C ATOM 715 OH TYR A 44 -10.895 6.237 -0.097 1.00 0.00 O ATOM 0 H TYR A 44 -9.947 1.301 5.684 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.370 2.751 5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.406 4.037 5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.489 2.847 4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.114 5.499 4.205 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.108 3.075 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.325 6.742 2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.291 4.309 0.368 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.565 5.657 -0.814 1.00 0.00 H new ATOM 725 N VAL A 45 -11.560 1.072 2.950 1.00 0.00 N ATOM 726 CA VAL A 45 -11.963 0.671 1.660 1.00 0.00 C ATOM 727 C VAL A 45 -12.877 -0.565 1.679 1.00 0.00 C ATOM 728 O VAL A 45 -13.558 -0.853 0.696 1.00 0.00 O ATOM 729 CB VAL A 45 -10.710 0.410 0.823 1.00 0.00 C ATOM 730 CG1 VAL A 45 -10.113 -0.942 0.983 1.00 0.00 C ATOM 731 CG2 VAL A 45 -10.893 0.795 -0.545 1.00 0.00 C ATOM 0 H VAL A 45 -10.699 0.630 3.271 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.556 1.472 1.219 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.948 1.067 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.231 -1.027 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.828 -1.093 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.842 -1.698 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.980 0.593 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.716 0.226 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.122 1.859 -0.596 1.00 0.00 H new ATOM 741 N GLY A 46 -12.902 -1.269 2.795 1.00 0.00 N ATOM 742 CA GLY A 46 -13.653 -2.466 2.892 1.00 0.00 C ATOM 743 C GLY A 46 -12.984 -3.613 2.186 1.00 0.00 C ATOM 744 O GLY A 46 -13.651 -4.489 1.625 1.00 0.00 O ATOM 0 H GLY A 46 -12.399 -1.013 3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.794 -2.720 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.644 -2.307 2.466 1.00 0.00 H new ATOM 748 N PHE A 47 -11.658 -3.599 2.205 1.00 0.00 N ATOM 749 CA PHE A 47 -10.860 -4.623 1.583 1.00 0.00 C ATOM 750 C PHE A 47 -11.041 -5.921 2.358 1.00 0.00 C ATOM 751 O PHE A 47 -11.243 -6.984 1.771 1.00 0.00 O ATOM 752 CB PHE A 47 -9.387 -4.203 1.610 1.00 0.00 C ATOM 753 CG PHE A 47 -8.445 -5.092 0.859 1.00 0.00 C ATOM 754 CD1 PHE A 47 -7.851 -6.173 1.476 1.00 0.00 C ATOM 755 CD2 PHE A 47 -8.143 -4.827 -0.456 1.00 0.00 C ATOM 756 CE1 PHE A 47 -6.967 -6.981 0.791 1.00 0.00 C ATOM 757 CE2 PHE A 47 -7.263 -5.629 -1.155 1.00 0.00 C ATOM 758 CZ PHE A 47 -6.673 -6.708 -0.530 1.00 0.00 C ATOM 0 H PHE A 47 -11.111 -2.867 2.658 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.171 -4.767 0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.308 -3.195 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.061 -4.154 2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.081 -6.390 2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.600 -3.981 -0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.507 -7.823 1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.037 -5.412 -2.189 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.983 -7.337 -1.073 1.00 0.00 H new ATOM 768 N ASP A 48 -10.976 -5.816 3.686 1.00 0.00 N ATOM 769 CA ASP A 48 -11.153 -6.970 4.551 1.00 0.00 C ATOM 770 C ASP A 48 -12.614 -7.252 4.653 1.00 0.00 C ATOM 771 O ASP A 48 -13.370 -6.442 5.162 1.00 0.00 O ATOM 772 CB ASP A 48 -10.602 -6.762 5.978 1.00 0.00 C ATOM 773 CG ASP A 48 -9.114 -6.524 6.064 1.00 0.00 C ATOM 774 OD1 ASP A 48 -8.323 -7.313 5.514 1.00 0.00 O ATOM 775 OD2 ASP A 48 -8.701 -5.537 6.695 1.00 0.00 O ATOM 0 H ASP A 48 -10.802 -4.941 4.181 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.595 -7.795 4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.116 -5.913 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.849 -7.639 6.577 1.00 0.00 H new ATOM 780 N SER A 49 -13.021 -8.382 4.180 1.00 0.00 N ATOM 781 CA SER A 49 -14.414 -8.745 4.185 1.00 0.00 C ATOM 782 C SER A 49 -14.944 -8.941 5.604 1.00 0.00 C ATOM 783 O SER A 49 -16.120 -8.711 5.869 1.00 0.00 O ATOM 784 CB SER A 49 -14.595 -9.993 3.369 1.00 0.00 C ATOM 785 OG SER A 49 -14.089 -9.789 2.044 1.00 0.00 O ATOM 0 H SER A 49 -12.403 -9.086 3.777 1.00 0.00 H new ATOM 0 HA SER A 49 -14.990 -7.931 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.074 -10.826 3.842 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.651 -10.260 3.327 1.00 0.00 H new ATOM 0 HG SER A 49 -14.209 -10.607 1.518 1.00 0.00 H new ATOM 791 N TRP A 50 -14.065 -9.319 6.509 1.00 0.00 N ATOM 792 CA TRP A 50 -14.442 -9.563 7.884 1.00 0.00 C ATOM 793 C TRP A 50 -14.502 -8.274 8.684 1.00 0.00 C ATOM 794 O TRP A 50 -15.077 -8.237 9.769 1.00 0.00 O ATOM 795 CB TRP A 50 -13.499 -10.588 8.547 1.00 0.00 C ATOM 796 CG TRP A 50 -12.033 -10.224 8.542 1.00 0.00 C ATOM 797 CD1 TRP A 50 -11.332 -9.601 9.540 1.00 0.00 C ATOM 798 CD2 TRP A 50 -11.090 -10.481 7.495 1.00 0.00 C ATOM 799 NE1 TRP A 50 -10.016 -9.462 9.172 1.00 0.00 N ATOM 800 CE2 TRP A 50 -9.842 -9.994 7.924 1.00 0.00 C ATOM 801 CE3 TRP A 50 -11.184 -11.078 6.237 1.00 0.00 C ATOM 802 CZ2 TRP A 50 -8.697 -10.089 7.140 1.00 0.00 C ATOM 803 CZ3 TRP A 50 -10.051 -11.172 5.460 1.00 0.00 C ATOM 804 CH2 TRP A 50 -8.821 -10.682 5.913 1.00 0.00 C ATOM 0 H TRP A 50 -13.075 -9.465 6.313 1.00 0.00 H new ATOM 0 HA TRP A 50 -15.445 -9.989 7.877 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -13.816 -10.731 9.580 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -13.619 -11.546 8.041 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -11.752 -9.268 10.478 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.286 -9.031 9.739 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -12.129 -11.460 5.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.747 -9.709 7.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -10.113 -11.632 4.485 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -7.951 -10.774 5.280 1.00 0.00 H new ATOM 815 N ASP A 51 -13.943 -7.215 8.141 1.00 0.00 N ATOM 816 CA ASP A 51 -13.933 -5.930 8.847 1.00 0.00 C ATOM 817 C ASP A 51 -13.835 -4.809 7.873 1.00 0.00 C ATOM 818 O ASP A 51 -12.765 -4.508 7.348 1.00 0.00 O ATOM 819 CB ASP A 51 -12.832 -5.861 9.904 1.00 0.00 C ATOM 820 CG ASP A 51 -12.867 -4.590 10.722 1.00 0.00 C ATOM 821 OD1 ASP A 51 -12.235 -3.599 10.343 1.00 0.00 O ATOM 822 OD2 ASP A 51 -13.504 -4.576 11.804 1.00 0.00 O ATOM 0 H ASP A 51 -13.492 -7.205 7.226 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.877 -5.836 9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.925 -6.717 10.572 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.862 -5.943 9.414 1.00 0.00 H new ATOM 827 N LYS A 52 -14.973 -4.200 7.621 1.00 0.00 N ATOM 828 CA LYS A 52 -15.078 -3.223 6.571 1.00 0.00 C ATOM 829 C LYS A 52 -16.229 -2.281 6.799 1.00 0.00 C ATOM 830 O LYS A 52 -16.700 -1.610 5.906 1.00 0.00 O ATOM 831 CB LYS A 52 -15.319 -3.967 5.337 1.00 0.00 C ATOM 832 CG LYS A 52 -16.589 -4.756 5.324 1.00 0.00 C ATOM 833 CD LYS A 52 -16.711 -5.346 3.997 1.00 0.00 C ATOM 834 CE LYS A 52 -17.964 -6.197 3.850 1.00 0.00 C ATOM 835 NZ LYS A 52 -19.207 -5.409 4.017 1.00 0.00 N ATOM 0 H LYS A 52 -15.839 -4.368 8.133 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.167 -2.625 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.334 -3.266 4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.483 -4.646 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.569 -5.531 6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.443 -4.115 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.725 -4.552 3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.833 -5.959 3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.966 -6.669 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.944 -6.999 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.025 -5.989 3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.304 -5.121 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.165 -4.563 3.414 1.00 0.00 H new ATOM 849 N TYR A 53 -16.620 -2.211 8.001 1.00 0.00 N ATOM 850 CA TYR A 53 -17.729 -1.358 8.472 1.00 0.00 C ATOM 851 C TYR A 53 -17.319 0.113 8.425 1.00 0.00 C ATOM 852 O TYR A 53 -18.101 1.015 8.724 1.00 0.00 O ATOM 853 CB TYR A 53 -18.054 -1.731 9.915 1.00 0.00 C ATOM 854 CG TYR A 53 -18.316 -3.205 10.085 1.00 0.00 C ATOM 855 CD1 TYR A 53 -19.578 -3.727 9.890 1.00 0.00 C ATOM 856 CD2 TYR A 53 -17.286 -4.076 10.412 1.00 0.00 C ATOM 857 CE1 TYR A 53 -19.815 -5.075 10.012 1.00 0.00 C ATOM 858 CE2 TYR A 53 -17.511 -5.431 10.543 1.00 0.00 C ATOM 859 CZ TYR A 53 -18.779 -5.929 10.339 1.00 0.00 C ATOM 860 OH TYR A 53 -19.017 -7.287 10.451 1.00 0.00 O ATOM 0 H TYR A 53 -16.187 -2.752 8.750 1.00 0.00 H new ATOM 0 HA TYR A 53 -18.597 -1.509 7.830 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -17.225 -1.436 10.559 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -18.928 -1.170 10.244 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -20.393 -3.065 9.637 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -16.291 -3.686 10.567 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -20.809 -5.466 9.853 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -16.700 -6.095 10.803 1.00 0.00 H new ATOM 0 HH TYR A 53 -18.184 -7.747 10.685 1.00 0.00 H new ATOM 870 N GLN A 54 -16.087 0.325 8.074 1.00 0.00 N ATOM 871 CA GLN A 54 -15.484 1.591 8.017 1.00 0.00 C ATOM 872 C GLN A 54 -15.308 1.996 6.559 1.00 0.00 C ATOM 873 O GLN A 54 -14.594 2.942 6.243 1.00 0.00 O ATOM 874 CB GLN A 54 -14.132 1.511 8.689 1.00 0.00 C ATOM 875 CG GLN A 54 -14.138 0.850 10.064 1.00 0.00 C ATOM 876 CD GLN A 54 -13.876 -0.626 10.023 1.00 0.00 C ATOM 877 OE1 GLN A 54 -14.779 -1.439 9.929 1.00 0.00 O ATOM 878 NE2 GLN A 54 -12.654 -0.983 10.117 1.00 0.00 N ATOM 0 H GLN A 54 -15.455 -0.431 7.809 1.00 0.00 H new ATOM 0 HA GLN A 54 -16.106 2.330 8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.451 0.960 8.040 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.731 2.520 8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.384 1.327 10.690 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -15.104 1.026 10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.921 -0.278 10.194 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.410 -1.973 10.115 1.00 0.00 H new ATOM 887 N MET A 55 -15.944 1.245 5.682 1.00 0.00 N ATOM 888 CA MET A 55 -15.911 1.468 4.272 1.00 0.00 C ATOM 889 C MET A 55 -16.487 2.840 3.923 1.00 0.00 C ATOM 890 O MET A 55 -17.711 3.044 3.936 1.00 0.00 O ATOM 891 CB MET A 55 -16.693 0.380 3.553 1.00 0.00 C ATOM 892 CG MET A 55 -16.641 0.525 2.072 1.00 0.00 C ATOM 893 SD MET A 55 -17.756 -0.592 1.181 1.00 0.00 S ATOM 894 CE MET A 55 -17.077 -2.195 1.593 1.00 0.00 C ATOM 0 H MET A 55 -16.512 0.442 5.951 1.00 0.00 H new ATOM 0 HA MET A 55 -14.871 1.438 3.946 1.00 0.00 H new ATOM 0 HB2 MET A 55 -16.295 -0.595 3.834 1.00 0.00 H new ATOM 0 HB3 MET A 55 -17.732 0.406 3.881 1.00 0.00 H new ATOM 0 HG2 MET A 55 -16.888 1.554 1.809 1.00 0.00 H new ATOM 0 HG3 MET A 55 -15.620 0.346 1.736 1.00 0.00 H new ATOM 0 HE1 MET A 55 -17.778 -2.975 1.295 1.00 0.00 H new ATOM 0 HE2 MET A 55 -16.132 -2.336 1.068 1.00 0.00 H new ATOM 0 HE3 MET A 55 -16.906 -2.252 2.668 1.00 0.00 H new ATOM 904 N GLY A 56 -15.609 3.760 3.624 1.00 0.00 N ATOM 905 CA GLY A 56 -16.001 5.109 3.311 1.00 0.00 C ATOM 906 C GLY A 56 -16.064 5.978 4.546 1.00 0.00 C ATOM 907 O GLY A 56 -16.660 7.061 4.528 1.00 0.00 O ATOM 0 H GLY A 56 -14.603 3.596 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.293 5.537 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.976 5.100 2.823 1.00 0.00 H new ATOM 911 N ASP A 57 -15.469 5.513 5.625 1.00 0.00 N ATOM 912 CA ASP A 57 -15.466 6.274 6.863 1.00 0.00 C ATOM 913 C ASP A 57 -14.246 7.175 6.885 1.00 0.00 C ATOM 914 O ASP A 57 -13.156 6.793 6.452 1.00 0.00 O ATOM 915 CB ASP A 57 -15.453 5.356 8.114 1.00 0.00 C ATOM 916 CG ASP A 57 -15.858 6.062 9.394 1.00 0.00 C ATOM 917 OD1 ASP A 57 -15.771 7.293 9.465 1.00 0.00 O ATOM 918 OD2 ASP A 57 -16.249 5.386 10.363 1.00 0.00 O ATOM 0 H ASP A 57 -14.983 4.617 5.673 1.00 0.00 H new ATOM 0 HA ASP A 57 -16.382 6.863 6.898 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.127 4.516 7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.453 4.942 8.239 1.00 0.00 H new ATOM 923 N GLN A 58 -14.422 8.345 7.415 1.00 0.00 N ATOM 924 CA GLN A 58 -13.359 9.310 7.512 1.00 0.00 C ATOM 925 C GLN A 58 -12.523 9.004 8.739 1.00 0.00 C ATOM 926 O GLN A 58 -11.383 9.450 8.889 1.00 0.00 O ATOM 927 CB GLN A 58 -13.902 10.720 7.554 1.00 0.00 C ATOM 928 CG GLN A 58 -14.797 11.034 8.747 1.00 0.00 C ATOM 929 CD GLN A 58 -15.277 12.473 8.753 1.00 0.00 C ATOM 930 OE1 GLN A 58 -15.447 13.095 7.699 1.00 0.00 O ATOM 931 NE2 GLN A 58 -15.478 13.017 9.921 1.00 0.00 N ATOM 0 H GLN A 58 -15.312 8.665 7.797 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.729 9.240 6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.063 11.416 7.556 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.465 10.903 6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.659 10.367 8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.251 10.833 9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.327 12.472 10.770 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.786 13.987 9.986 1.00 0.00 H new ATOM 940 N ASN A 59 -13.099 8.201 9.597 1.00 0.00 N ATOM 941 CA ASN A 59 -12.444 7.702 10.793 1.00 0.00 C ATOM 942 C ASN A 59 -11.250 6.865 10.447 1.00 0.00 C ATOM 943 O ASN A 59 -10.291 6.777 11.213 1.00 0.00 O ATOM 944 CB ASN A 59 -13.414 6.852 11.607 1.00 0.00 C ATOM 945 CG ASN A 59 -14.357 7.639 12.497 1.00 0.00 C ATOM 946 OD1 ASN A 59 -13.993 8.676 13.063 1.00 0.00 O ATOM 947 ND2 ASN A 59 -15.586 7.200 12.572 1.00 0.00 N ATOM 0 H ASN A 59 -14.056 7.865 9.487 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.120 8.565 11.375 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.006 6.244 10.922 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.840 6.165 12.228 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -16.280 7.718 13.111 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -15.851 6.340 12.092 1.00 0.00 H new ATOM 954 N VAL A 60 -11.289 6.290 9.285 1.00 0.00 N ATOM 955 CA VAL A 60 -10.288 5.331 8.882 1.00 0.00 C ATOM 956 C VAL A 60 -9.609 5.727 7.611 1.00 0.00 C ATOM 957 O VAL A 60 -8.797 4.973 7.092 1.00 0.00 O ATOM 958 CB VAL A 60 -10.940 3.972 8.650 1.00 0.00 C ATOM 959 CG1 VAL A 60 -11.605 3.537 9.869 1.00 0.00 C ATOM 960 CG2 VAL A 60 -11.990 4.106 7.647 1.00 0.00 C ATOM 0 H VAL A 60 -12.010 6.466 8.586 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.550 5.289 9.683 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.168 3.268 8.339 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.071 2.566 9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.874 3.456 10.673 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.369 4.263 10.146 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.458 3.136 7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.740 4.815 7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.558 4.467 6.714 1.00 0.00 H new ATOM 970 N TYR A 61 -9.970 6.858 7.083 1.00 0.00 N ATOM 971 CA TYR A 61 -9.371 7.284 5.838 1.00 0.00 C ATOM 972 C TYR A 61 -7.880 7.578 6.033 1.00 0.00 C ATOM 973 O TYR A 61 -7.499 8.394 6.881 1.00 0.00 O ATOM 974 CB TYR A 61 -10.139 8.448 5.126 1.00 0.00 C ATOM 975 CG TYR A 61 -9.646 9.865 5.371 1.00 0.00 C ATOM 976 CD1 TYR A 61 -8.636 10.404 4.577 1.00 0.00 C ATOM 977 CD2 TYR A 61 -10.191 10.666 6.356 1.00 0.00 C ATOM 978 CE1 TYR A 61 -8.191 11.684 4.765 1.00 0.00 C ATOM 979 CE2 TYR A 61 -9.747 11.953 6.555 1.00 0.00 C ATOM 980 CZ TYR A 61 -8.745 12.457 5.755 1.00 0.00 C ATOM 981 OH TYR A 61 -8.308 13.750 5.928 1.00 0.00 O ATOM 0 H TYR A 61 -10.661 7.496 7.478 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.460 6.449 5.143 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.111 8.263 4.052 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.184 8.398 5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.196 9.800 3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.980 10.275 6.981 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.408 12.084 4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.181 12.564 7.333 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.799 14.165 6.668 1.00 0.00 H new ATOM 991 N PRO A 62 -7.029 6.858 5.319 1.00 0.00 N ATOM 992 CA PRO A 62 -5.632 7.061 5.371 1.00 0.00 C ATOM 993 C PRO A 62 -5.224 8.115 4.384 1.00 0.00 C ATOM 994 O PRO A 62 -5.463 8.004 3.181 1.00 0.00 O ATOM 995 CB PRO A 62 -5.044 5.712 5.003 1.00 0.00 C ATOM 996 CG PRO A 62 -6.091 5.035 4.200 1.00 0.00 C ATOM 997 CD PRO A 62 -7.375 5.802 4.392 1.00 0.00 C ATOM 0 HA PRO A 62 -5.289 7.405 6.347 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.123 5.827 4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.797 5.135 5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.812 5.012 3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.211 4.000 4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.741 6.206 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.163 5.164 4.793 1.00 0.00 H new ATOM 1005 N GLY A 63 -4.714 9.146 4.916 1.00 0.00 N ATOM 1006 CA GLY A 63 -4.199 10.254 4.136 1.00 0.00 C ATOM 1007 C GLY A 63 -2.891 9.911 3.407 1.00 0.00 C ATOM 1008 O GLY A 63 -2.697 8.768 2.985 1.00 0.00 O ATOM 0 H GLY A 63 -4.628 9.274 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.948 10.557 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.031 11.108 4.793 1.00 0.00 H new ATOM 1012 N PRO A 64 -1.967 10.881 3.263 1.00 0.00 N ATOM 1013 CA PRO A 64 -0.698 10.680 2.541 1.00 0.00 C ATOM 1014 C PRO A 64 0.109 9.486 3.075 1.00 0.00 C ATOM 1015 O PRO A 64 0.245 9.287 4.305 1.00 0.00 O ATOM 1016 CB PRO A 64 0.060 11.989 2.766 1.00 0.00 C ATOM 1017 CG PRO A 64 -1.002 12.993 3.045 1.00 0.00 C ATOM 1018 CD PRO A 64 -2.083 12.254 3.781 1.00 0.00 C ATOM 0 HA PRO A 64 -0.869 10.450 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.756 11.906 3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.645 12.264 1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.614 13.816 3.645 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.384 13.425 2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.933 12.291 4.860 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.067 12.677 3.582 1.00 0.00 H new ATOM 1026 N ILE A 65 0.624 8.703 2.153 1.00 0.00 N ATOM 1027 CA ILE A 65 1.353 7.485 2.454 1.00 0.00 C ATOM 1028 C ILE A 65 2.707 7.772 3.091 1.00 0.00 C ATOM 1029 O ILE A 65 3.637 8.245 2.427 1.00 0.00 O ATOM 1030 CB ILE A 65 1.580 6.663 1.175 1.00 0.00 C ATOM 1031 CG1 ILE A 65 0.253 6.429 0.477 1.00 0.00 C ATOM 1032 CG2 ILE A 65 2.254 5.336 1.514 1.00 0.00 C ATOM 1033 CD1 ILE A 65 0.377 5.847 -0.892 1.00 0.00 C ATOM 0 H ILE A 65 0.548 8.896 1.154 1.00 0.00 H new ATOM 0 HA ILE A 65 0.744 6.923 3.162 1.00 0.00 H new ATOM 0 HB ILE A 65 2.237 7.216 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.355 5.763 1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.282 7.376 0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.409 4.763 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.216 5.528 1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.619 4.769 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.616 5.711 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.956 6.521 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.882 4.883 -0.833 1.00 0.00 H new ATOM 1045 N ASP A 66 2.800 7.506 4.366 1.00 0.00 N ATOM 1046 CA ASP A 66 4.048 7.637 5.098 1.00 0.00 C ATOM 1047 C ASP A 66 4.743 6.303 5.180 1.00 0.00 C ATOM 1048 O ASP A 66 4.132 5.310 5.587 1.00 0.00 O ATOM 1049 CB ASP A 66 3.807 8.163 6.504 1.00 0.00 C ATOM 1050 CG ASP A 66 5.053 8.074 7.368 1.00 0.00 C ATOM 1051 OD1 ASP A 66 6.132 8.480 6.918 1.00 0.00 O ATOM 1052 OD2 ASP A 66 4.964 7.575 8.507 1.00 0.00 O ATOM 0 H ASP A 66 2.015 7.191 4.935 1.00 0.00 H new ATOM 0 HA ASP A 66 4.676 8.348 4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.476 9.200 6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.002 7.595 6.970 1.00 0.00 H new ATOM 1057 N ASN A 67 6.001 6.286 4.799 1.00 0.00 N ATOM 1058 CA ASN A 67 6.794 5.071 4.802 1.00 0.00 C ATOM 1059 C ASN A 67 8.052 5.261 5.634 1.00 0.00 C ATOM 1060 O ASN A 67 8.932 4.409 5.627 1.00 0.00 O ATOM 1061 CB ASN A 67 7.219 4.700 3.369 1.00 0.00 C ATOM 1062 CG ASN A 67 6.063 4.546 2.405 1.00 0.00 C ATOM 1063 OD1 ASN A 67 5.472 3.488 2.292 1.00 0.00 O ATOM 1064 ND2 ASN A 67 5.745 5.603 1.691 1.00 0.00 N ATOM 0 H ASN A 67 6.505 7.112 4.478 1.00 0.00 H new ATOM 0 HA ASN A 67 6.181 4.276 5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.894 5.468 2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.782 3.767 3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.982 5.552 1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.262 6.474 1.811 1.00 0.00 H new ATOM 1071 N SER A 68 8.113 6.353 6.397 1.00 0.00 N ATOM 1072 CA SER A 68 9.323 6.723 7.145 1.00 0.00 C ATOM 1073 C SER A 68 9.743 5.639 8.159 1.00 0.00 C ATOM 1074 O SER A 68 10.935 5.431 8.400 1.00 0.00 O ATOM 1075 CB SER A 68 9.136 8.086 7.840 1.00 0.00 C ATOM 1076 OG SER A 68 10.345 8.551 8.426 1.00 0.00 O ATOM 0 H SER A 68 7.335 7.002 6.516 1.00 0.00 H new ATOM 0 HA SER A 68 10.134 6.808 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.779 8.817 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.369 7.999 8.610 1.00 0.00 H new ATOM 0 HG SER A 68 10.188 9.418 8.856 1.00 0.00 H new ATOM 1082 N GLY A 69 8.777 4.907 8.679 1.00 0.00 N ATOM 1083 CA GLY A 69 9.051 3.886 9.668 1.00 0.00 C ATOM 1084 C GLY A 69 9.651 2.632 9.059 1.00 0.00 C ATOM 1085 O GLY A 69 10.175 1.772 9.774 1.00 0.00 O ATOM 0 H GLY A 69 7.792 5.002 8.431 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.735 4.285 10.417 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.127 3.628 10.185 1.00 0.00 H new ATOM 1089 N LEU A 70 9.585 2.533 7.745 1.00 0.00 N ATOM 1090 CA LEU A 70 10.120 1.384 7.030 1.00 0.00 C ATOM 1091 C LEU A 70 11.553 1.667 6.654 1.00 0.00 C ATOM 1092 O LEU A 70 12.336 0.757 6.389 1.00 0.00 O ATOM 1093 CB LEU A 70 9.372 1.180 5.713 1.00 0.00 C ATOM 1094 CG LEU A 70 7.854 1.178 5.742 1.00 0.00 C ATOM 1095 CD1 LEU A 70 7.335 1.020 4.330 1.00 0.00 C ATOM 1096 CD2 LEU A 70 7.324 0.074 6.643 1.00 0.00 C ATOM 0 H LEU A 70 9.162 3.240 7.144 1.00 0.00 H new ATOM 0 HA LEU A 70 10.024 0.509 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.691 1.963 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.698 0.230 5.289 1.00 0.00 H new ATOM 0 HG LEU A 70 7.502 2.124 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.245 1.017 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.690 1.849 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.696 0.080 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.234 0.097 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.666 -0.893 6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.691 0.225 7.658 1.00 0.00 H new ATOM 1108 N LEU A 71 11.877 2.930 6.640 1.00 0.00 N ATOM 1109 CA LEU A 71 13.134 3.405 6.120 1.00 0.00 C ATOM 1110 C LEU A 71 14.235 3.312 7.168 1.00 0.00 C ATOM 1111 O LEU A 71 13.960 3.250 8.370 1.00 0.00 O ATOM 1112 CB LEU A 71 12.980 4.863 5.658 1.00 0.00 C ATOM 1113 CG LEU A 71 11.802 5.154 4.720 1.00 0.00 C ATOM 1114 CD1 LEU A 71 11.761 6.615 4.318 1.00 0.00 C ATOM 1115 CD2 LEU A 71 11.851 4.270 3.496 1.00 0.00 C ATOM 0 H LEU A 71 11.270 3.670 6.993 1.00 0.00 H new ATOM 0 HA LEU A 71 13.416 2.776 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.879 5.494 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.900 5.163 5.156 1.00 0.00 H new ATOM 0 HG LEU A 71 10.887 4.931 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.914 6.786 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.654 7.235 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.685 6.877 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.004 4.498 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.780 4.449 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.804 3.224 3.800 1.00 0.00 H new ATOM 1127 N LYS A 72 15.465 3.304 6.714 1.00 0.00 N ATOM 1128 CA LYS A 72 16.608 3.249 7.591 1.00 0.00 C ATOM 1129 C LYS A 72 17.042 4.624 8.032 1.00 0.00 C ATOM 1130 O LYS A 72 16.399 5.637 7.734 1.00 0.00 O ATOM 1131 CB LYS A 72 17.778 2.505 6.951 1.00 0.00 C ATOM 1132 CG LYS A 72 17.508 1.047 6.761 1.00 0.00 C ATOM 1133 CD LYS A 72 18.700 0.288 6.211 1.00 0.00 C ATOM 1134 CE LYS A 72 19.847 0.213 7.195 1.00 0.00 C ATOM 1135 NZ LYS A 72 20.945 -0.639 6.690 1.00 0.00 N ATOM 0 H LYS A 72 15.702 3.336 5.722 1.00 0.00 H new ATOM 0 HA LYS A 72 16.294 2.693 8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.004 2.956 5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.664 2.627 7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.216 0.610 7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.663 0.925 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.390 -0.722 5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.042 0.771 5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.225 1.216 7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.487 -0.182 8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.675 -0.736 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.572 -1.579 6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.362 -0.203 5.843 1.00 0.00 H new ATOM 1149 N ASP A 73 18.141 4.653 8.713 1.00 0.00 N ATOM 1150 CA ASP A 73 18.647 5.857 9.299 1.00 0.00 C ATOM 1151 C ASP A 73 19.655 6.458 8.364 1.00 0.00 C ATOM 1152 O ASP A 73 20.731 5.884 8.156 1.00 0.00 O ATOM 1153 CB ASP A 73 19.327 5.546 10.634 1.00 0.00 C ATOM 1154 CG ASP A 73 18.492 4.678 11.547 1.00 0.00 C ATOM 1155 OD1 ASP A 73 17.661 5.208 12.306 1.00 0.00 O ATOM 1156 OD2 ASP A 73 18.664 3.434 11.513 1.00 0.00 O ATOM 0 H ASP A 73 18.722 3.832 8.882 1.00 0.00 H new ATOM 0 HA ASP A 73 17.825 6.551 9.472 1.00 0.00 H new ATOM 0 HB2 ASP A 73 20.277 5.048 10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 73 19.555 6.482 11.144 1.00 0.00 H new ATOM 1161 N GLY A 74 19.306 7.563 7.759 1.00 0.00 N ATOM 1162 CA GLY A 74 20.229 8.233 6.880 1.00 0.00 C ATOM 1163 C GLY A 74 19.651 8.452 5.510 1.00 0.00 C ATOM 1164 O GLY A 74 19.690 9.565 4.978 1.00 0.00 O ATOM 0 H GLY A 74 18.397 8.016 7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.508 9.194 7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 74 21.142 7.644 6.797 1.00 0.00 H new ATOM 1168 N ASP A 75 19.105 7.415 4.933 1.00 0.00 N ATOM 1169 CA ASP A 75 18.516 7.505 3.607 1.00 0.00 C ATOM 1170 C ASP A 75 17.089 7.125 3.668 1.00 0.00 C ATOM 1171 O ASP A 75 16.735 6.122 4.274 1.00 0.00 O ATOM 1172 CB ASP A 75 19.198 6.589 2.575 1.00 0.00 C ATOM 1173 CG ASP A 75 20.644 6.891 2.356 1.00 0.00 C ATOM 1174 OD1 ASP A 75 21.496 6.317 3.062 1.00 0.00 O ATOM 1175 OD2 ASP A 75 20.962 7.698 1.466 1.00 0.00 O ATOM 0 H ASP A 75 19.052 6.489 5.357 1.00 0.00 H new ATOM 0 HA ASP A 75 18.649 8.539 3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.099 5.554 2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.672 6.675 1.624 1.00 0.00 H new ATOM 1180 N ALA A 76 16.283 7.882 2.993 1.00 0.00 N ATOM 1181 CA ALA A 76 14.861 7.638 2.921 1.00 0.00 C ATOM 1182 C ALA A 76 14.561 6.728 1.740 1.00 0.00 C ATOM 1183 O ALA A 76 13.418 6.487 1.378 1.00 0.00 O ATOM 1184 CB ALA A 76 14.144 8.945 2.743 1.00 0.00 C ATOM 0 H ALA A 76 16.589 8.700 2.466 1.00 0.00 H new ATOM 0 HA ALA A 76 14.524 7.158 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.070 8.766 2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.361 9.597 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.480 9.422 1.822 1.00 0.00 H new ATOM 1190 N GLN A 77 15.610 6.282 1.109 1.00 0.00 N ATOM 1191 CA GLN A 77 15.527 5.392 -0.035 1.00 0.00 C ATOM 1192 C GLN A 77 16.087 4.064 0.356 1.00 0.00 C ATOM 1193 O GLN A 77 16.184 3.135 -0.439 1.00 0.00 O ATOM 1194 CB GLN A 77 16.319 6.003 -1.153 1.00 0.00 C ATOM 1195 CG GLN A 77 15.837 7.392 -1.434 1.00 0.00 C ATOM 1196 CD GLN A 77 14.523 7.434 -2.199 1.00 0.00 C ATOM 1197 OE1 GLN A 77 14.512 7.489 -3.429 1.00 0.00 O ATOM 1198 NE2 GLN A 77 13.414 7.362 -1.489 1.00 0.00 N ATOM 0 H GLN A 77 16.565 6.525 1.372 1.00 0.00 H new ATOM 0 HA GLN A 77 14.497 5.251 -0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.376 6.024 -0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 77 16.227 5.391 -2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.716 7.924 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.598 7.924 -2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.462 7.318 -0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.508 7.350 -1.958 1.00 0.00 H new ATOM 1207 N SER A 78 16.449 3.989 1.589 1.00 0.00 N ATOM 1208 CA SER A 78 16.959 2.773 2.143 1.00 0.00 C ATOM 1209 C SER A 78 15.954 2.315 3.150 1.00 0.00 C ATOM 1210 O SER A 78 15.378 3.134 3.873 1.00 0.00 O ATOM 1211 CB SER A 78 18.328 2.979 2.792 1.00 0.00 C ATOM 1212 OG SER A 78 18.935 1.745 3.159 1.00 0.00 O ATOM 0 H SER A 78 16.402 4.767 2.247 1.00 0.00 H new ATOM 0 HA SER A 78 17.106 2.027 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.980 3.512 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.219 3.607 3.676 1.00 0.00 H new ATOM 0 HG SER A 78 19.754 1.922 3.667 1.00 0.00 H new ATOM 1218 N LEU A 79 15.728 1.055 3.205 1.00 0.00 N ATOM 1219 CA LEU A 79 14.716 0.541 4.040 1.00 0.00 C ATOM 1220 C LEU A 79 15.276 -0.528 4.949 1.00 0.00 C ATOM 1221 O LEU A 79 16.280 -1.168 4.614 1.00 0.00 O ATOM 1222 CB LEU A 79 13.574 0.061 3.203 1.00 0.00 C ATOM 1223 CG LEU A 79 13.756 -1.243 2.524 1.00 0.00 C ATOM 1224 CD1 LEU A 79 12.913 -2.243 3.246 1.00 0.00 C ATOM 1225 CD2 LEU A 79 13.390 -1.119 1.080 1.00 0.00 C ATOM 0 H LEU A 79 16.241 0.353 2.671 1.00 0.00 H new ATOM 0 HA LEU A 79 14.332 1.326 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.690 -0.005 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.366 0.815 2.444 1.00 0.00 H new ATOM 0 HG LEU A 79 14.795 -1.571 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.021 -3.219 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.234 -2.306 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.868 -1.934 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.526 -2.081 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.348 -0.811 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.029 -0.374 0.605 1.00 0.00 H new ATOM 1237 N LYS A 80 14.641 -0.703 6.081 1.00 0.00 N ATOM 1238 CA LYS A 80 15.120 -1.553 7.158 1.00 0.00 C ATOM 1239 C LYS A 80 15.422 -3.016 6.782 1.00 0.00 C ATOM 1240 O LYS A 80 14.730 -3.654 5.968 1.00 0.00 O ATOM 1241 CB LYS A 80 14.217 -1.430 8.364 1.00 0.00 C ATOM 1242 CG LYS A 80 14.265 -0.070 9.020 1.00 0.00 C ATOM 1243 CD LYS A 80 13.223 0.055 10.105 1.00 0.00 C ATOM 1244 CE LYS A 80 13.271 1.425 10.754 1.00 0.00 C ATOM 1245 NZ LYS A 80 14.504 1.642 11.549 1.00 0.00 N ATOM 0 H LYS A 80 13.752 -0.249 6.291 1.00 0.00 H new ATOM 0 HA LYS A 80 16.108 -1.170 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.191 -1.643 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.498 -2.187 9.096 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.255 0.097 9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.105 0.704 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.233 -0.116 9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.386 -0.714 10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.203 2.191 9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.402 1.546 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.431 2.542 12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.621 0.863 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.326 1.673 10.913 1.00 0.00 H new ATOM 1259 N GLU A 81 16.458 -3.502 7.433 1.00 0.00 N ATOM 1260 CA GLU A 81 17.110 -4.797 7.221 1.00 0.00 C ATOM 1261 C GLU A 81 16.166 -6.022 7.133 1.00 0.00 C ATOM 1262 O GLU A 81 16.157 -6.737 6.124 1.00 0.00 O ATOM 1263 CB GLU A 81 18.107 -5.020 8.363 1.00 0.00 C ATOM 1264 CG GLU A 81 19.164 -3.925 8.513 1.00 0.00 C ATOM 1265 CD GLU A 81 20.157 -3.893 7.384 1.00 0.00 C ATOM 1266 OE1 GLU A 81 21.197 -4.590 7.473 1.00 0.00 O ATOM 1267 OE2 GLU A 81 19.939 -3.165 6.392 1.00 0.00 O ATOM 0 H GLU A 81 16.906 -2.971 8.180 1.00 0.00 H new ATOM 0 HA GLU A 81 17.585 -4.735 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.554 -5.103 9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.611 -5.973 8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.667 -2.957 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.698 -4.072 9.452 1.00 0.00 H new ATOM 1274 N HIS A 82 15.380 -6.258 8.167 1.00 0.00 N ATOM 1275 CA HIS A 82 14.623 -7.521 8.271 1.00 0.00 C ATOM 1276 C HIS A 82 13.233 -7.452 7.680 1.00 0.00 C ATOM 1277 O HIS A 82 12.515 -8.447 7.688 1.00 0.00 O ATOM 1278 CB HIS A 82 14.520 -7.996 9.731 1.00 0.00 C ATOM 1279 CG HIS A 82 15.834 -8.226 10.397 1.00 0.00 C ATOM 1280 ND1 HIS A 82 16.273 -7.479 11.464 1.00 0.00 N ATOM 1281 CD2 HIS A 82 16.805 -9.128 10.152 1.00 0.00 C ATOM 1282 CE1 HIS A 82 17.455 -7.907 11.839 1.00 0.00 C ATOM 1283 NE2 HIS A 82 17.797 -8.906 11.063 1.00 0.00 N ATOM 0 H HIS A 82 15.241 -5.611 8.943 1.00 0.00 H new ATOM 0 HA HIS A 82 15.195 -8.237 7.682 1.00 0.00 H new ATOM 0 HB2 HIS A 82 13.961 -7.255 10.303 1.00 0.00 H new ATOM 0 HB3 HIS A 82 13.945 -8.921 9.760 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.799 -9.884 9.381 1.00 0.00 H new ATOM 0 HE1 HIS A 82 18.045 -7.505 12.649 1.00 0.00 H new ATOM 0 HE2 HIS A 82 18.667 -9.434 11.129 1.00 0.00 H new ATOM 1292 N LEU A 83 12.847 -6.302 7.186 1.00 0.00 N ATOM 1293 CA LEU A 83 11.512 -6.101 6.656 1.00 0.00 C ATOM 1294 C LEU A 83 11.134 -6.999 5.491 1.00 0.00 C ATOM 1295 O LEU A 83 11.855 -7.116 4.472 1.00 0.00 O ATOM 1296 CB LEU A 83 11.208 -4.637 6.365 1.00 0.00 C ATOM 1297 CG LEU A 83 10.796 -3.785 7.570 1.00 0.00 C ATOM 1298 CD1 LEU A 83 11.857 -3.726 8.606 1.00 0.00 C ATOM 1299 CD2 LEU A 83 10.347 -2.400 7.160 1.00 0.00 C ATOM 0 H LEU A 83 13.445 -5.477 7.138 1.00 0.00 H new ATOM 0 HA LEU A 83 10.863 -6.419 7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.091 -4.186 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 83 10.410 -4.592 5.624 1.00 0.00 H new ATOM 0 HG LEU A 83 9.937 -4.284 8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.518 -3.111 9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.074 -4.733 8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.760 -3.291 8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.065 -1.832 8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.162 -1.890 6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.490 -2.478 6.491 1.00 0.00 H new ATOM 1311 N ILE A 84 10.010 -7.628 5.686 1.00 0.00 N ATOM 1312 CA ILE A 84 9.353 -8.512 4.774 1.00 0.00 C ATOM 1313 C ILE A 84 8.282 -7.699 4.058 1.00 0.00 C ATOM 1314 O ILE A 84 8.086 -6.541 4.397 1.00 0.00 O ATOM 1315 CB ILE A 84 8.732 -9.685 5.616 1.00 0.00 C ATOM 1316 CG1 ILE A 84 9.847 -10.436 6.332 1.00 0.00 C ATOM 1317 CG2 ILE A 84 7.868 -10.656 4.802 1.00 0.00 C ATOM 1318 CD1 ILE A 84 9.358 -11.589 7.155 1.00 0.00 C ATOM 0 H ILE A 84 9.491 -7.525 6.558 1.00 0.00 H new ATOM 0 HA ILE A 84 10.027 -8.940 4.032 1.00 0.00 H new ATOM 0 HB ILE A 84 8.053 -9.227 6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.559 -10.803 5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.386 -9.742 6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 84 7.479 -11.434 5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.038 -10.113 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 84 8.473 -11.112 4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 84 10.205 -12.078 7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.668 -11.226 7.917 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.845 -12.303 6.512 1.00 0.00 H new ATOM 1330 N ASP A 85 7.636 -8.305 3.078 1.00 0.00 N ATOM 1331 CA ASP A 85 6.566 -7.714 2.243 1.00 0.00 C ATOM 1332 C ASP A 85 5.324 -7.306 3.133 1.00 0.00 C ATOM 1333 O ASP A 85 5.530 -6.815 4.219 1.00 0.00 O ATOM 1334 CB ASP A 85 6.253 -8.758 1.151 1.00 0.00 C ATOM 1335 CG ASP A 85 5.197 -8.389 0.105 1.00 0.00 C ATOM 1336 OD1 ASP A 85 4.001 -8.682 0.324 1.00 0.00 O ATOM 1337 OD2 ASP A 85 5.554 -7.865 -0.962 1.00 0.00 O ATOM 0 H ASP A 85 7.841 -9.270 2.818 1.00 0.00 H new ATOM 0 HA ASP A 85 6.868 -6.782 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.181 -8.986 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.932 -9.676 1.644 1.00 0.00 H new ATOM 1342 N GLU A 86 4.065 -7.524 2.672 1.00 0.00 N ATOM 1343 CA GLU A 86 2.764 -7.052 3.292 1.00 0.00 C ATOM 1344 C GLU A 86 2.663 -7.127 4.828 1.00 0.00 C ATOM 1345 O GLU A 86 1.815 -6.488 5.438 1.00 0.00 O ATOM 1346 CB GLU A 86 1.544 -7.640 2.560 1.00 0.00 C ATOM 1347 CG GLU A 86 1.040 -9.011 2.997 1.00 0.00 C ATOM 1348 CD GLU A 86 0.045 -8.924 4.143 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -1.027 -8.302 3.965 1.00 0.00 O ATOM 1350 OE2 GLU A 86 0.313 -9.445 5.230 1.00 0.00 O ATOM 0 H GLU A 86 3.904 -8.058 1.818 1.00 0.00 H new ATOM 0 HA GLU A 86 2.764 -5.974 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.721 -6.933 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.786 -7.696 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.571 -9.510 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.887 -9.627 3.300 1.00 0.00 H new ATOM 1357 N LEU A 87 3.499 -7.904 5.395 1.00 0.00 N ATOM 1358 CA LEU A 87 3.679 -8.015 6.828 1.00 0.00 C ATOM 1359 C LEU A 87 4.219 -6.703 7.414 1.00 0.00 C ATOM 1360 O LEU A 87 3.585 -6.066 8.272 1.00 0.00 O ATOM 1361 CB LEU A 87 4.698 -9.113 7.085 1.00 0.00 C ATOM 1362 CG LEU A 87 4.329 -10.468 6.569 1.00 0.00 C ATOM 1363 CD1 LEU A 87 5.347 -11.471 7.024 1.00 0.00 C ATOM 1364 CD2 LEU A 87 2.931 -10.850 7.018 1.00 0.00 C ATOM 0 H LEU A 87 4.118 -8.520 4.867 1.00 0.00 H new ATOM 0 HA LEU A 87 2.720 -8.238 7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.646 -8.818 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.865 -9.186 8.160 1.00 0.00 H new ATOM 0 HG LEU A 87 4.324 -10.451 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.078 -12.458 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.329 -11.192 6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.375 -11.493 8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.682 -11.839 6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.890 -10.865 8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.215 -10.121 6.638 1.00 0.00 H new ATOM 1376 N ASP A 88 5.371 -6.299 6.930 1.00 0.00 N ATOM 1377 CA ASP A 88 6.065 -5.113 7.445 1.00 0.00 C ATOM 1378 C ASP A 88 5.776 -3.916 6.589 1.00 0.00 C ATOM 1379 O ASP A 88 5.548 -2.803 7.085 1.00 0.00 O ATOM 1380 CB ASP A 88 7.583 -5.306 7.489 1.00 0.00 C ATOM 1381 CG ASP A 88 8.054 -6.369 8.437 1.00 0.00 C ATOM 1382 OD1 ASP A 88 7.974 -6.172 9.659 1.00 0.00 O ATOM 1383 OD2 ASP A 88 8.542 -7.414 7.979 1.00 0.00 O ATOM 0 H ASP A 88 5.862 -6.772 6.171 1.00 0.00 H new ATOM 0 HA ASP A 88 5.695 -4.959 8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.933 -5.552 6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.048 -4.360 7.766 1.00 0.00 H new ATOM 1388 N TYR A 89 5.731 -4.145 5.319 1.00 0.00 N ATOM 1389 CA TYR A 89 5.519 -3.093 4.340 1.00 0.00 C ATOM 1390 C TYR A 89 4.723 -3.713 3.277 1.00 0.00 C ATOM 1391 O TYR A 89 4.114 -4.666 3.545 1.00 0.00 O ATOM 1392 CB TYR A 89 6.862 -2.491 3.810 1.00 0.00 C ATOM 1393 CG TYR A 89 7.867 -3.452 3.194 1.00 0.00 C ATOM 1394 CD1 TYR A 89 7.562 -4.172 2.053 1.00 0.00 C ATOM 1395 CD2 TYR A 89 9.128 -3.611 3.746 1.00 0.00 C ATOM 1396 CE1 TYR A 89 8.463 -5.025 1.470 1.00 0.00 C ATOM 1397 CE2 TYR A 89 10.050 -4.468 3.166 1.00 0.00 C ATOM 1398 CZ TYR A 89 9.713 -5.170 2.030 1.00 0.00 C ATOM 1399 OH TYR A 89 10.630 -6.025 1.460 1.00 0.00 O ATOM 0 H TYR A 89 5.840 -5.074 4.911 1.00 0.00 H new ATOM 0 HA TYR A 89 5.002 -2.239 4.777 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.620 -1.734 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.351 -1.978 4.638 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.584 -4.059 1.608 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.395 -3.062 4.637 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.196 -5.577 0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.030 -4.585 3.604 1.00 0.00 H new ATOM 0 HH TYR A 89 11.461 -6.007 1.980 1.00 0.00 H new ATOM 1409 N ILE A 90 4.619 -3.144 2.132 1.00 0.00 N ATOM 1410 CA ILE A 90 3.997 -3.813 1.043 1.00 0.00 C ATOM 1411 C ILE A 90 4.693 -3.433 -0.211 1.00 0.00 C ATOM 1412 O ILE A 90 5.251 -2.358 -0.302 1.00 0.00 O ATOM 1413 CB ILE A 90 2.512 -3.457 0.873 1.00 0.00 C ATOM 1414 CG1 ILE A 90 1.787 -3.416 2.200 1.00 0.00 C ATOM 1415 CG2 ILE A 90 1.853 -4.466 -0.020 1.00 0.00 C ATOM 1416 CD1 ILE A 90 0.344 -3.437 2.053 1.00 0.00 C ATOM 0 H ILE A 90 4.960 -2.206 1.921 1.00 0.00 H new ATOM 0 HA ILE A 90 4.064 -4.880 1.254 1.00 0.00 H new ATOM 0 HB ILE A 90 2.458 -2.463 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.098 -4.267 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.079 -2.516 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.800 -4.213 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.340 -4.462 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.939 -5.457 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.123 -3.406 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.025 -2.571 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.044 -4.350 1.538 1.00 0.00 H new ATOM 1428 N LEU A 91 4.672 -4.324 -1.141 1.00 0.00 N ATOM 1429 CA LEU A 91 5.194 -4.129 -2.418 1.00 0.00 C ATOM 1430 C LEU A 91 4.130 -4.286 -3.461 1.00 0.00 C ATOM 1431 O LEU A 91 3.494 -5.342 -3.552 1.00 0.00 O ATOM 1432 CB LEU A 91 6.354 -5.053 -2.628 1.00 0.00 C ATOM 1433 CG LEU A 91 7.594 -4.490 -2.005 1.00 0.00 C ATOM 1434 CD1 LEU A 91 8.685 -5.441 -1.967 1.00 0.00 C ATOM 1435 CD2 LEU A 91 8.028 -3.336 -2.785 1.00 0.00 C ATOM 0 H LEU A 91 4.266 -5.250 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 91 5.562 -3.107 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.133 -6.028 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.514 -5.208 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 91 7.346 -4.221 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.556 -4.977 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.387 -6.313 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.934 -5.750 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.931 -2.916 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.237 -3.647 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.241 -2.582 -2.788 1.00 0.00 H new ATOM 1447 N LEU A 92 3.879 -3.222 -4.190 1.00 0.00 N ATOM 1448 CA LEU A 92 2.920 -3.243 -5.269 1.00 0.00 C ATOM 1449 C LEU A 92 3.672 -3.089 -6.542 1.00 0.00 C ATOM 1450 O LEU A 92 4.796 -2.599 -6.529 1.00 0.00 O ATOM 1451 CB LEU A 92 1.967 -2.022 -5.298 1.00 0.00 C ATOM 1452 CG LEU A 92 1.171 -1.598 -4.096 1.00 0.00 C ATOM 1453 CD1 LEU A 92 0.489 -2.719 -3.435 1.00 0.00 C ATOM 1454 CD2 LEU A 92 1.984 -0.794 -3.168 1.00 0.00 C ATOM 0 H LEU A 92 4.334 -2.320 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 92 2.355 -4.166 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.568 -1.162 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.251 -2.202 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 92 0.372 -0.952 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.069 -2.349 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.198 -3.192 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.227 -3.449 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.377 -0.504 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.836 -1.382 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.341 0.100 -3.678 1.00 0.00 H new ATOM 1466 N PRO A 93 3.062 -3.458 -7.666 1.00 0.00 N ATOM 1467 CA PRO A 93 3.559 -3.070 -8.968 1.00 0.00 C ATOM 1468 C PRO A 93 3.570 -1.544 -9.038 1.00 0.00 C ATOM 1469 O PRO A 93 2.958 -0.871 -8.171 1.00 0.00 O ATOM 1470 CB PRO A 93 2.481 -3.559 -9.928 1.00 0.00 C ATOM 1471 CG PRO A 93 1.788 -4.640 -9.230 1.00 0.00 C ATOM 1472 CD PRO A 93 1.880 -4.324 -7.758 1.00 0.00 C ATOM 0 HA PRO A 93 4.554 -3.461 -9.182 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.792 -2.754 -10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.919 -3.914 -10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.748 -4.704 -9.549 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.249 -5.603 -9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.983 -3.819 -7.399 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.997 -5.228 -7.160 1.00 0.00 H new ATOM 1480 N THR A 94 4.204 -1.003 -10.040 1.00 0.00 N ATOM 1481 CA THR A 94 4.236 0.427 -10.249 1.00 0.00 C ATOM 1482 C THR A 94 2.789 1.006 -10.205 1.00 0.00 C ATOM 1483 O THR A 94 2.540 2.028 -9.572 1.00 0.00 O ATOM 1484 CB THR A 94 4.894 0.729 -11.605 1.00 0.00 C ATOM 1485 OG1 THR A 94 6.186 0.078 -11.667 1.00 0.00 O ATOM 1486 CG2 THR A 94 5.067 2.223 -11.795 1.00 0.00 C ATOM 0 H THR A 94 4.717 -1.539 -10.740 1.00 0.00 H new ATOM 0 HA THR A 94 4.819 0.897 -9.457 1.00 0.00 H new ATOM 0 HB THR A 94 4.250 0.351 -12.400 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.607 0.268 -12.531 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.534 2.415 -12.761 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.092 2.709 -11.760 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.699 2.620 -11.001 1.00 0.00 H new ATOM 1494 N GLU A 95 1.852 0.266 -10.811 1.00 0.00 N ATOM 1495 CA GLU A 95 0.427 0.602 -10.828 1.00 0.00 C ATOM 1496 C GLU A 95 -0.125 0.740 -9.433 1.00 0.00 C ATOM 1497 O GLU A 95 -0.734 1.727 -9.133 1.00 0.00 O ATOM 1498 CB GLU A 95 -0.353 -0.508 -11.492 1.00 0.00 C ATOM 1499 CG GLU A 95 0.014 -0.772 -12.889 1.00 0.00 C ATOM 1500 CD GLU A 95 -0.570 0.199 -13.861 1.00 0.00 C ATOM 1501 OE1 GLU A 95 -0.120 1.359 -13.918 1.00 0.00 O ATOM 1502 OE2 GLU A 95 -1.476 -0.193 -14.624 1.00 0.00 O ATOM 0 H GLU A 95 2.069 -0.596 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 95 0.329 1.545 -11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.216 -1.423 -10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.414 -0.262 -11.451 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.100 -0.753 -12.979 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.310 -1.778 -13.156 1.00 0.00 H new ATOM 1509 N GLY A 96 0.093 -0.286 -8.604 1.00 0.00 N ATOM 1510 CA GLY A 96 -0.477 -0.325 -7.266 1.00 0.00 C ATOM 1511 C GLY A 96 -0.138 0.897 -6.475 1.00 0.00 C ATOM 1512 O GLY A 96 -1.012 1.613 -6.028 1.00 0.00 O ATOM 0 H GLY A 96 0.662 -1.098 -8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.560 -0.422 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.112 -1.208 -6.742 1.00 0.00 H new ATOM 1516 N TRP A 97 1.123 1.128 -6.337 1.00 0.00 N ATOM 1517 CA TRP A 97 1.651 2.312 -5.706 1.00 0.00 C ATOM 1518 C TRP A 97 1.078 3.589 -6.346 1.00 0.00 C ATOM 1519 O TRP A 97 0.564 4.443 -5.636 1.00 0.00 O ATOM 1520 CB TRP A 97 3.145 2.237 -5.835 1.00 0.00 C ATOM 1521 CG TRP A 97 3.868 3.505 -5.529 1.00 0.00 C ATOM 1522 CD1 TRP A 97 4.419 4.367 -6.429 1.00 0.00 C ATOM 1523 CD2 TRP A 97 4.103 4.053 -4.251 1.00 0.00 C ATOM 1524 NE1 TRP A 97 4.997 5.420 -5.774 1.00 0.00 N ATOM 1525 CE2 TRP A 97 4.819 5.247 -4.430 1.00 0.00 C ATOM 1526 CE3 TRP A 97 3.778 3.647 -2.972 1.00 0.00 C ATOM 1527 CZ2 TRP A 97 5.219 6.032 -3.360 1.00 0.00 C ATOM 1528 CZ3 TRP A 97 4.165 4.423 -1.916 1.00 0.00 C ATOM 1529 CH2 TRP A 97 4.879 5.605 -2.107 1.00 0.00 C ATOM 0 H TRP A 97 1.844 0.486 -6.666 1.00 0.00 H new ATOM 0 HA TRP A 97 1.364 2.358 -4.655 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.513 1.456 -5.169 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.392 1.932 -6.852 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.402 4.238 -7.501 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.480 6.203 -6.215 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.228 2.732 -2.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 5.777 6.944 -3.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.912 4.114 -0.912 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.169 6.194 -1.249 1.00 0.00 H new ATOM 1540 N ASN A 98 1.146 3.692 -7.681 1.00 0.00 N ATOM 1541 CA ASN A 98 0.545 4.820 -8.419 1.00 0.00 C ATOM 1542 C ASN A 98 -0.915 4.992 -8.115 1.00 0.00 C ATOM 1543 O ASN A 98 -1.400 6.082 -8.186 1.00 0.00 O ATOM 1544 CB ASN A 98 0.723 4.725 -9.942 1.00 0.00 C ATOM 1545 CG ASN A 98 2.121 5.035 -10.420 1.00 0.00 C ATOM 1546 OD1 ASN A 98 2.856 5.802 -9.800 1.00 0.00 O ATOM 1547 ND2 ASN A 98 2.484 4.481 -11.547 1.00 0.00 N ATOM 0 H ASN A 98 1.612 3.007 -8.276 1.00 0.00 H new ATOM 0 HA ASN A 98 1.096 5.692 -8.065 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.454 3.720 -10.266 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.026 5.412 -10.422 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.404 4.680 -11.940 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.847 3.850 -12.033 1.00 0.00 H new ATOM 1554 N LYS A 99 -1.618 3.915 -7.771 1.00 0.00 N ATOM 1555 CA LYS A 99 -2.979 4.013 -7.417 1.00 0.00 C ATOM 1556 C LYS A 99 -3.060 4.710 -6.106 1.00 0.00 C ATOM 1557 O LYS A 99 -3.644 5.763 -6.002 1.00 0.00 O ATOM 1558 CB LYS A 99 -3.621 2.654 -7.244 1.00 0.00 C ATOM 1559 CG LYS A 99 -3.699 1.727 -8.441 1.00 0.00 C ATOM 1560 CD LYS A 99 -4.133 2.407 -9.684 1.00 0.00 C ATOM 1561 CE LYS A 99 -3.767 1.589 -10.939 1.00 0.00 C ATOM 1562 NZ LYS A 99 -4.647 0.428 -11.109 1.00 0.00 N ATOM 0 H LYS A 99 -1.238 2.969 -7.739 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.499 4.546 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.080 2.131 -6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.637 2.812 -6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.721 1.275 -8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.392 0.916 -8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.211 2.566 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.667 3.391 -9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.833 2.227 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.733 1.253 -10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.226 -0.229 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.764 -0.056 -10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.576 0.744 -11.455 1.00 0.00 H new ATOM 1576 N LEU A 100 -2.388 4.150 -5.114 1.00 0.00 N ATOM 1577 CA LEU A 100 -2.428 4.679 -3.773 1.00 0.00 C ATOM 1578 C LEU A 100 -1.942 6.117 -3.716 1.00 0.00 C ATOM 1579 O LEU A 100 -2.535 6.963 -3.045 1.00 0.00 O ATOM 1580 CB LEU A 100 -1.689 3.755 -2.782 1.00 0.00 C ATOM 1581 CG LEU A 100 -2.391 2.435 -2.428 1.00 0.00 C ATOM 1582 CD1 LEU A 100 -3.875 2.530 -2.658 1.00 0.00 C ATOM 1583 CD2 LEU A 100 -1.787 1.245 -3.133 1.00 0.00 C ATOM 0 H LEU A 100 -1.804 3.320 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.471 4.703 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.709 3.520 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.518 4.310 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.229 2.267 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.345 1.581 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.290 3.322 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.067 2.755 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.323 0.341 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.863 1.384 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.738 1.150 -2.853 1.00 0.00 H new ATOM 1595 N VAL A 101 -0.932 6.399 -4.471 1.00 0.00 N ATOM 1596 CA VAL A 101 -0.397 7.701 -4.575 1.00 0.00 C ATOM 1597 C VAL A 101 -1.294 8.627 -5.447 1.00 0.00 C ATOM 1598 O VAL A 101 -1.320 9.846 -5.264 1.00 0.00 O ATOM 1599 CB VAL A 101 1.041 7.626 -5.095 1.00 0.00 C ATOM 1600 CG1 VAL A 101 1.548 8.971 -5.424 1.00 0.00 C ATOM 1601 CG2 VAL A 101 1.917 7.014 -4.041 1.00 0.00 C ATOM 0 H VAL A 101 -0.449 5.707 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.378 8.153 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 101 1.054 7.016 -5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.571 8.894 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.919 9.419 -6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.529 9.595 -4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.942 6.959 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.886 7.628 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.560 6.011 -3.809 1.00 0.00 H new ATOM 1611 N SER A 102 -2.035 8.073 -6.355 1.00 0.00 N ATOM 1612 CA SER A 102 -2.934 8.875 -7.121 1.00 0.00 C ATOM 1613 C SER A 102 -4.113 9.262 -6.237 1.00 0.00 C ATOM 1614 O SER A 102 -4.591 10.394 -6.277 1.00 0.00 O ATOM 1615 CB SER A 102 -3.455 8.133 -8.362 1.00 0.00 C ATOM 1616 OG SER A 102 -4.248 8.979 -9.196 1.00 0.00 O ATOM 0 H SER A 102 -2.036 7.079 -6.582 1.00 0.00 H new ATOM 0 HA SER A 102 -2.395 9.757 -7.466 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.612 7.747 -8.934 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.048 7.274 -8.049 1.00 0.00 H new ATOM 0 HG SER A 102 -4.507 9.781 -8.696 1.00 0.00 H new ATOM 1622 N TRP A 103 -4.544 8.316 -5.421 1.00 0.00 N ATOM 1623 CA TRP A 103 -5.718 8.477 -4.608 1.00 0.00 C ATOM 1624 C TRP A 103 -5.436 9.313 -3.352 1.00 0.00 C ATOM 1625 O TRP A 103 -6.164 10.267 -3.068 1.00 0.00 O ATOM 1626 CB TRP A 103 -6.325 7.091 -4.248 1.00 0.00 C ATOM 1627 CG TRP A 103 -6.554 6.182 -5.455 1.00 0.00 C ATOM 1628 CD1 TRP A 103 -6.731 6.562 -6.750 1.00 0.00 C ATOM 1629 CD2 TRP A 103 -6.569 4.750 -5.479 1.00 0.00 C ATOM 1630 NE1 TRP A 103 -6.905 5.462 -7.552 1.00 0.00 N ATOM 1631 CE2 TRP A 103 -6.793 4.362 -6.817 1.00 0.00 C ATOM 1632 CE3 TRP A 103 -6.418 3.762 -4.524 1.00 0.00 C ATOM 1633 CZ2 TRP A 103 -6.869 3.057 -7.215 1.00 0.00 C ATOM 1634 CZ3 TRP A 103 -6.479 2.444 -4.932 1.00 0.00 C ATOM 1635 CH2 TRP A 103 -6.706 2.113 -6.284 1.00 0.00 C ATOM 0 H TRP A 103 -4.081 7.414 -5.309 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.454 9.030 -5.192 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -5.661 6.586 -3.546 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.275 7.244 -3.735 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.734 7.585 -7.097 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.091 5.486 -8.555 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.257 4.014 -3.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -7.054 2.798 -8.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.351 1.655 -4.205 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -6.749 1.073 -6.573 1.00 0.00 H new ATOM 1646 N TYR A 104 -4.384 8.978 -2.613 1.00 0.00 N ATOM 1647 CA TYR A 104 -4.080 9.680 -1.356 1.00 0.00 C ATOM 1648 C TYR A 104 -2.670 10.216 -1.274 1.00 0.00 C ATOM 1649 O TYR A 104 -2.267 10.738 -0.240 1.00 0.00 O ATOM 1650 CB TYR A 104 -4.420 8.811 -0.149 1.00 0.00 C ATOM 1651 CG TYR A 104 -5.906 8.746 0.087 1.00 0.00 C ATOM 1652 CD1 TYR A 104 -6.544 9.738 0.821 1.00 0.00 C ATOM 1653 CD2 TYR A 104 -6.680 7.732 -0.454 1.00 0.00 C ATOM 1654 CE1 TYR A 104 -7.905 9.725 1.009 1.00 0.00 C ATOM 1655 CE2 TYR A 104 -8.045 7.708 -0.262 1.00 0.00 C ATOM 1656 CZ TYR A 104 -8.652 8.710 0.470 1.00 0.00 C ATOM 1657 OH TYR A 104 -10.019 8.711 0.631 1.00 0.00 O ATOM 0 H TYR A 104 -3.729 8.234 -2.853 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.722 10.561 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.031 7.804 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.927 9.210 0.738 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.958 10.536 1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.209 6.951 -1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.383 10.509 1.578 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.638 6.909 -0.682 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.353 7.790 0.596 1.00 0.00 H new ATOM 1667 N THR A 105 -1.970 10.141 -2.394 1.00 0.00 N ATOM 1668 CA THR A 105 -0.607 10.588 -2.592 1.00 0.00 C ATOM 1669 C THR A 105 0.397 10.114 -1.553 1.00 0.00 C ATOM 1670 O THR A 105 0.129 9.296 -0.668 1.00 0.00 O ATOM 1671 CB THR A 105 -0.490 12.127 -2.898 1.00 0.00 C ATOM 1672 OG1 THR A 105 0.799 12.471 -3.444 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.782 12.973 -1.693 1.00 0.00 C ATOM 0 H THR A 105 -2.368 9.739 -3.243 1.00 0.00 H new ATOM 0 HA THR A 105 -0.307 10.068 -3.502 1.00 0.00 H new ATOM 0 HB THR A 105 -1.250 12.341 -3.650 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.287 13.030 -2.804 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.688 14.026 -1.957 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.796 12.775 -1.346 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.074 12.733 -0.900 1.00 0.00 H new ATOM 1681 N LEU A 106 1.528 10.615 -1.712 1.00 0.00 N ATOM 1682 CA LEU A 106 2.672 10.257 -0.954 1.00 0.00 C ATOM 1683 C LEU A 106 2.839 11.303 0.144 1.00 0.00 C ATOM 1684 O LEU A 106 2.312 12.414 0.024 1.00 0.00 O ATOM 1685 CB LEU A 106 3.861 10.306 -1.907 1.00 0.00 C ATOM 1686 CG LEU A 106 4.923 9.192 -1.823 1.00 0.00 C ATOM 1687 CD1 LEU A 106 6.118 9.536 -2.681 1.00 0.00 C ATOM 1688 CD2 LEU A 106 5.354 8.885 -0.400 1.00 0.00 C ATOM 0 H LEU A 106 1.718 11.333 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 106 2.588 9.267 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.469 10.313 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.368 11.259 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 106 4.455 8.285 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.858 8.739 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.802 9.646 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.558 10.471 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.102 8.093 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.779 9.781 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.490 8.561 0.180 1.00 0.00 H new ATOM 1700 N MET A 107 3.523 10.961 1.218 1.00 0.00 N ATOM 1701 CA MET A 107 3.802 11.863 2.210 1.00 0.00 C ATOM 1702 C MET A 107 4.881 12.793 1.745 1.00 0.00 C ATOM 1703 O MET A 107 5.872 12.383 1.118 1.00 0.00 O ATOM 1704 CB MET A 107 4.217 11.087 3.404 1.00 0.00 C ATOM 1705 CG MET A 107 4.997 11.807 4.398 1.00 0.00 C ATOM 1706 SD MET A 107 4.086 13.101 5.263 1.00 0.00 S ATOM 1707 CE MET A 107 2.896 12.106 6.133 1.00 0.00 C ATOM 0 H MET A 107 3.887 10.023 1.387 1.00 0.00 H new ATOM 0 HA MET A 107 2.935 12.474 2.460 1.00 0.00 H new ATOM 0 HB2 MET A 107 3.321 10.697 3.888 1.00 0.00 H new ATOM 0 HB3 MET A 107 4.798 10.228 3.069 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.376 11.095 5.131 1.00 0.00 H new ATOM 0 HG3 MET A 107 5.863 12.253 3.909 1.00 0.00 H new ATOM 0 HE1 MET A 107 2.280 12.745 6.765 1.00 0.00 H new ATOM 0 HE2 MET A 107 2.262 11.586 5.415 1.00 0.00 H new ATOM 0 HE3 MET A 107 3.416 11.376 6.753 1.00 0.00 H new ATOM 1717 N GLU A 108 4.671 14.000 2.059 1.00 0.00 N ATOM 1718 CA GLU A 108 5.476 15.059 1.766 1.00 0.00 C ATOM 1719 C GLU A 108 6.816 14.909 2.441 1.00 0.00 C ATOM 1720 O GLU A 108 6.916 14.711 3.656 1.00 0.00 O ATOM 1721 CB GLU A 108 4.690 16.209 2.247 1.00 0.00 C ATOM 1722 CG GLU A 108 5.418 17.457 2.408 1.00 0.00 C ATOM 1723 CD GLU A 108 4.488 18.605 2.627 1.00 0.00 C ATOM 1724 OE1 GLU A 108 4.087 18.859 3.777 1.00 0.00 O ATOM 1725 OE2 GLU A 108 4.107 19.258 1.634 1.00 0.00 O ATOM 0 H GLU A 108 3.840 14.279 2.581 1.00 0.00 H new ATOM 0 HA GLU A 108 5.728 15.162 0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.868 16.378 1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.246 15.944 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.102 17.375 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.026 17.643 1.522 1.00 0.00 H new ATOM 1732 N GLY A 109 7.812 14.943 1.630 1.00 0.00 N ATOM 1733 CA GLY A 109 9.153 14.772 2.069 1.00 0.00 C ATOM 1734 C GLY A 109 9.697 13.430 1.640 1.00 0.00 C ATOM 1735 O GLY A 109 10.909 13.186 1.673 1.00 0.00 O ATOM 0 H GLY A 109 7.718 15.093 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.777 15.568 1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.197 14.856 3.155 1.00 0.00 H new ATOM 1739 N GLN A 110 8.811 12.550 1.240 1.00 0.00 N ATOM 1740 CA GLN A 110 9.202 11.237 0.815 1.00 0.00 C ATOM 1741 C GLN A 110 9.163 11.083 -0.677 1.00 0.00 C ATOM 1742 O GLN A 110 8.465 11.816 -1.393 1.00 0.00 O ATOM 1743 CB GLN A 110 8.387 10.167 1.514 1.00 0.00 C ATOM 1744 CG GLN A 110 8.749 10.059 2.968 1.00 0.00 C ATOM 1745 CD GLN A 110 7.817 9.192 3.771 1.00 0.00 C ATOM 1746 OE1 GLN A 110 7.223 8.239 3.265 1.00 0.00 O ATOM 1747 NE2 GLN A 110 7.669 9.526 5.020 1.00 0.00 N ATOM 0 H GLN A 110 7.807 12.726 1.202 1.00 0.00 H new ATOM 0 HA GLN A 110 10.243 11.104 1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.326 10.397 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.551 9.207 1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 110 9.760 9.661 3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 110 8.763 11.058 3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 110 8.181 10.323 5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 110 7.042 8.991 5.620 1.00 0.00 H new ATOM 1756 N GLU A 111 9.924 10.142 -1.129 1.00 0.00 N ATOM 1757 CA GLU A 111 10.096 9.827 -2.511 1.00 0.00 C ATOM 1758 C GLU A 111 10.005 8.318 -2.613 1.00 0.00 C ATOM 1759 O GLU A 111 10.492 7.632 -1.710 1.00 0.00 O ATOM 1760 CB GLU A 111 11.460 10.357 -2.993 1.00 0.00 C ATOM 1761 CG GLU A 111 11.556 11.879 -2.907 1.00 0.00 C ATOM 1762 CD GLU A 111 12.924 12.424 -3.171 1.00 0.00 C ATOM 1763 OE1 GLU A 111 13.253 12.701 -4.323 1.00 0.00 O ATOM 1764 OE2 GLU A 111 13.677 12.641 -2.197 1.00 0.00 O ATOM 0 H GLU A 111 10.471 9.540 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 111 9.338 10.291 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.253 9.911 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.625 10.043 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.859 12.317 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 111 11.236 12.196 -1.914 1.00 0.00 H new ATOM 1771 N PRO A 112 9.369 7.791 -3.669 1.00 0.00 N ATOM 1772 CA PRO A 112 9.077 6.357 -3.821 1.00 0.00 C ATOM 1773 C PRO A 112 10.213 5.456 -3.577 1.00 0.00 C ATOM 1774 O PRO A 112 11.294 5.561 -4.175 1.00 0.00 O ATOM 1775 CB PRO A 112 8.564 6.202 -5.231 1.00 0.00 C ATOM 1776 CG PRO A 112 8.104 7.565 -5.624 1.00 0.00 C ATOM 1777 CD PRO A 112 8.899 8.557 -4.823 1.00 0.00 C ATOM 0 HA PRO A 112 8.355 6.061 -3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.346 5.841 -5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.748 5.481 -5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.253 7.727 -6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.038 7.681 -5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.732 8.959 -5.400 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.286 9.404 -4.516 1.00 0.00 H new ATOM 1785 N ILE A 113 9.950 4.567 -2.694 1.00 0.00 N ATOM 1786 CA ILE A 113 10.848 3.584 -2.342 1.00 0.00 C ATOM 1787 C ILE A 113 10.568 2.426 -3.247 1.00 0.00 C ATOM 1788 O ILE A 113 9.503 1.803 -3.165 1.00 0.00 O ATOM 1789 CB ILE A 113 10.696 3.121 -0.879 1.00 0.00 C ATOM 1790 CG1 ILE A 113 10.752 4.281 0.138 1.00 0.00 C ATOM 1791 CG2 ILE A 113 11.799 2.172 -0.590 1.00 0.00 C ATOM 1792 CD1 ILE A 113 9.476 5.104 0.282 1.00 0.00 C ATOM 0 H ILE A 113 9.065 4.520 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 113 11.862 3.974 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 113 9.714 2.660 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.008 3.870 1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.563 4.951 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.720 1.825 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.732 1.320 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.757 2.673 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.631 5.889 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.223 5.555 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.660 4.457 0.605 1.00 0.00 H new ATOM 1804 N ALA A 114 11.456 2.191 -4.140 1.00 0.00 N ATOM 1805 CA ALA A 114 11.282 1.156 -5.088 1.00 0.00 C ATOM 1806 C ALA A 114 12.204 -0.013 -4.839 1.00 0.00 C ATOM 1807 O ALA A 114 13.368 0.143 -4.471 1.00 0.00 O ATOM 1808 CB ALA A 114 11.458 1.697 -6.484 1.00 0.00 C ATOM 0 H ALA A 114 12.327 2.713 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 114 10.265 0.778 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.322 0.892 -7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.720 2.478 -6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.460 2.113 -6.589 1.00 0.00 H new ATOM 1814 N ARG A 115 11.642 -1.154 -5.000 1.00 0.00 N ATOM 1815 CA ARG A 115 12.278 -2.424 -4.974 1.00 0.00 C ATOM 1816 C ARG A 115 11.995 -2.998 -6.312 1.00 0.00 C ATOM 1817 O ARG A 115 11.461 -2.311 -7.185 1.00 0.00 O ATOM 1818 CB ARG A 115 11.647 -3.321 -3.893 1.00 0.00 C ATOM 1819 CG ARG A 115 12.073 -3.022 -2.473 1.00 0.00 C ATOM 1820 CD ARG A 115 13.290 -3.805 -2.094 1.00 0.00 C ATOM 1821 NE ARG A 115 12.950 -5.218 -1.899 1.00 0.00 N ATOM 1822 CZ ARG A 115 13.799 -6.183 -1.551 1.00 0.00 C ATOM 1823 NH1 ARG A 115 15.092 -5.922 -1.407 1.00 0.00 N ATOM 1824 NH2 ARG A 115 13.354 -7.413 -1.362 1.00 0.00 N ATOM 0 H ARG A 115 10.639 -1.232 -5.168 1.00 0.00 H new ATOM 0 HA ARG A 115 13.342 -2.347 -4.752 1.00 0.00 H new ATOM 0 HB2 ARG A 115 10.563 -3.229 -3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 115 11.893 -4.359 -4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 115 12.277 -1.956 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 115 11.258 -3.259 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 115 14.047 -3.711 -2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 115 13.721 -3.399 -1.179 1.00 0.00 H new ATOM 0 HE ARG A 115 11.976 -5.486 -2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 115 15.442 -4.977 -1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 115 15.736 -6.667 -1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 115 12.363 -7.621 -1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 115 14.002 -8.154 -1.095 1.00 0.00 H new ATOM 1838 N LYS A 116 12.318 -4.187 -6.504 1.00 0.00 N ATOM 1839 CA LYS A 116 12.010 -4.815 -7.710 1.00 0.00 C ATOM 1840 C LYS A 116 11.479 -6.155 -7.386 1.00 0.00 C ATOM 1841 O LYS A 116 11.074 -6.397 -6.246 1.00 0.00 O ATOM 1842 CB LYS A 116 13.238 -4.866 -8.633 1.00 0.00 C ATOM 1843 CG LYS A 116 14.447 -5.607 -8.085 1.00 0.00 C ATOM 1844 CD LYS A 116 15.579 -5.619 -9.099 1.00 0.00 C ATOM 1845 CE LYS A 116 16.815 -6.313 -8.554 1.00 0.00 C ATOM 1846 NZ LYS A 116 17.359 -5.614 -7.374 1.00 0.00 N ATOM 0 H LYS A 116 12.810 -4.770 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 116 11.255 -4.255 -8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.944 -5.334 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.537 -3.844 -8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.783 -5.132 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.168 -6.630 -7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.249 -6.124 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.829 -4.595 -9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.567 -7.340 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.577 -6.362 -9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 18.324 -5.953 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.381 -4.590 -7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.756 -5.806 -6.549 1.00 0.00 H new ATOM 1860 N VAL A 117 11.375 -6.977 -8.366 1.00 0.00 N ATOM 1861 CA VAL A 117 11.033 -8.351 -8.111 1.00 0.00 C ATOM 1862 C VAL A 117 12.119 -8.942 -7.211 1.00 0.00 C ATOM 1863 O VAL A 117 13.325 -8.757 -7.439 1.00 0.00 O ATOM 1864 CB VAL A 117 10.868 -9.160 -9.394 1.00 0.00 C ATOM 1865 CG1 VAL A 117 10.484 -10.605 -9.113 1.00 0.00 C ATOM 1866 CG2 VAL A 117 9.879 -8.488 -10.337 1.00 0.00 C ATOM 0 H VAL A 117 11.518 -6.738 -9.347 1.00 0.00 H new ATOM 0 HA VAL A 117 10.063 -8.395 -7.615 1.00 0.00 H new ATOM 0 HB VAL A 117 11.838 -9.187 -9.891 1.00 0.00 H new ATOM 0 HG11 VAL A 117 10.377 -11.143 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 117 11.260 -11.077 -8.511 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.539 -10.631 -8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 117 9.779 -9.084 -11.244 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.908 -8.406 -9.848 1.00 0.00 H new ATOM 0 HG23 VAL A 117 10.241 -7.493 -10.595 1.00 0.00 H new ATOM 1876 N VAL A 118 11.661 -9.620 -6.238 1.00 0.00 N ATOM 1877 CA VAL A 118 12.400 -10.052 -5.111 1.00 0.00 C ATOM 1878 C VAL A 118 13.376 -11.203 -5.363 1.00 0.00 C ATOM 1879 O VAL A 118 13.532 -11.699 -6.493 1.00 0.00 O ATOM 1880 CB VAL A 118 11.429 -10.411 -3.976 1.00 0.00 C ATOM 1881 CG1 VAL A 118 10.726 -9.166 -3.453 1.00 0.00 C ATOM 1882 CG2 VAL A 118 10.403 -11.439 -4.432 1.00 0.00 C ATOM 0 H VAL A 118 10.685 -9.913 -6.199 1.00 0.00 H new ATOM 0 HA VAL A 118 13.038 -9.212 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 118 12.015 -10.849 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.043 -9.444 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 118 11.467 -8.463 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 118 10.164 -8.699 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 118 9.730 -11.672 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 118 9.828 -11.035 -5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 118 10.915 -12.347 -4.751 1.00 0.00 H new ATOM 1892 N GLU A 119 14.033 -11.599 -4.283 1.00 0.00 N ATOM 1893 CA GLU A 119 15.016 -12.662 -4.246 1.00 0.00 C ATOM 1894 C GLU A 119 14.426 -13.987 -4.737 1.00 0.00 C ATOM 1895 O GLU A 119 15.057 -14.700 -5.531 1.00 0.00 O ATOM 1896 CB GLU A 119 15.507 -12.813 -2.801 1.00 0.00 C ATOM 1897 CG GLU A 119 16.518 -13.912 -2.581 1.00 0.00 C ATOM 1898 CD GLU A 119 16.885 -14.068 -1.126 1.00 0.00 C ATOM 1899 OE1 GLU A 119 16.108 -14.672 -0.373 1.00 0.00 O ATOM 1900 OE2 GLU A 119 17.964 -13.599 -0.710 1.00 0.00 O ATOM 0 H GLU A 119 13.886 -11.167 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 119 15.843 -12.407 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.946 -11.868 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.646 -12.998 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.116 -14.853 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.417 -13.697 -3.159 1.00 0.00 H new ATOM 1907 N GLN A 120 13.221 -14.288 -4.280 1.00 0.00 N ATOM 1908 CA GLN A 120 12.570 -15.539 -4.599 1.00 0.00 C ATOM 1909 C GLN A 120 11.989 -15.531 -6.022 1.00 0.00 C ATOM 1910 O GLN A 120 10.825 -15.128 -6.225 1.00 0.00 O ATOM 1911 CB GLN A 120 11.524 -15.907 -3.523 1.00 0.00 C ATOM 1912 CG GLN A 120 10.417 -14.880 -3.312 1.00 0.00 C ATOM 1913 CD GLN A 120 9.483 -15.259 -2.197 1.00 0.00 C ATOM 1914 OE1 GLN A 120 9.696 -14.880 -1.045 1.00 0.00 O ATOM 1915 NE2 GLN A 120 8.472 -16.027 -2.507 1.00 0.00 N ATOM 1916 OXT GLN A 120 12.715 -15.908 -6.961 1.00 0.00 O ATOM 0 H GLN A 120 12.672 -13.672 -3.680 1.00 0.00 H new ATOM 0 HA GLN A 120 13.323 -16.327 -4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 120 11.067 -16.859 -3.795 1.00 0.00 H new ATOM 0 HB3 GLN A 120 12.040 -16.060 -2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 120 10.863 -13.910 -3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 120 9.849 -14.769 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 120 8.331 -16.319 -3.474 1.00 0.00 H new ATOM 0 HE22 GLN A 120 7.824 -16.335 -1.782 1.00 0.00 H new TER 1925 GLN A 120