USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 981 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 70 ASN : amide:sc= 0.0721 K(o=0.14,f=-0.66) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -137:sc= 0.0717 (180deg=0) USER MOD Set 2.1: A 52 HIS : no HE2:sc= -2.72 K(o=-2,f=-4.7!) USER MOD Set 2.2: A 58 THR OG1 : rot 1:sc= 0.703 USER MOD Set 3.1: A 53 TYR OH : rot 85:sc= 0.271 USER MOD Set 3.2: A 57 HIS : no HE2:sc= -9.85! C(o=-9.6!,f=-13!) USER MOD Set 3.3: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 51 GLN :FLIP amide:sc=-0.00067 F(o=-1.6,f=-0.82) USER MOD Set 4.2: A 59 MET CE :methyl -156:sc= 0 (180deg=0) USER MOD Set 4.3: A 61 ASN : amide:sc= -0.82 K(o=-0.82,f=-4.7!) USER MOD Set 5.1: A 14 TYR OH : rot 30:sc= -0.407 USER MOD Set 5.2: A 18 MET CE :methyl 161:sc= -0.0765 (180deg=-0.548) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -10:sc= 0.356 USER MOD Single : A 5 LYS NZ :NH3+ 136:sc= 0.207 (180deg=0) USER MOD Single : A 8 MET CE :methyl 158:sc= -0.438 (180deg=-1.5) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0.358 (180deg=0.35) USER MOD Single : A 13 ASN : amide:sc= -0.295 K(o=-0.29,f=-2.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.199 USER MOD Single : A 25 SER OG : rot 55:sc= 0.169 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 5:sc= 0.216 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -2.39! C(o=-2.4!,f=-9.3!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-3.6!) USER MOD Single : A 48 THR OG1 : rot 30:sc= 0.706 USER MOD Single : A 50 SER OG : rot -14:sc= 0.071! USER MOD Single : A 54 SER OG : rot 180:sc=-0.00347 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 20:sc= 0.888 USER MOD Single : A 72 GLN : amide:sc= -0.0496 X(o=-0.05,f=0.011) USER MOD Single : A 73 THR OG1 : rot -149:sc= 0.947 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 21:sc= 0.269 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.19) USER MOD Single : A 96 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.7) USER MOD Single : A 97 TYR OH : rot 94:sc= 0.786 USER MOD Single : A 98 HIS : no HD1:sc= -2.35 K(o=-2.4,f=-3.4!) USER MOD Single : A 99 GLN : amide:sc= -3.41! C(o=-3.4!,f=-10!) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.89 USER MOD Single : A 101 SER OG : rot -162:sc= 1.16 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -132:sc= 1.23 USER MOD Single : A 113 THR OG1 : rot 21:sc= 0.754 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 56:sc= 1.31 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.343 9.582 12.711 1.00 0.00 N ATOM 2 CA ALA A 1 1.670 8.594 13.541 1.00 0.00 C ATOM 3 C ALA A 1 1.655 7.247 12.853 1.00 0.00 C ATOM 4 O ALA A 1 2.168 6.300 13.424 1.00 0.00 O ATOM 5 CB ALA A 1 0.235 9.048 13.913 1.00 0.00 C ATOM 0 H1 ALA A 1 2.345 10.501 13.198 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.323 9.280 12.538 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.843 9.672 11.804 1.00 0.00 H new ATOM 0 HA ALA A 1 2.230 8.498 14.471 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.238 8.287 14.533 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.282 9.987 14.464 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.349 9.190 13.004 1.00 0.00 H new ATOM 11 N PHE A 2 1.070 7.139 11.637 1.00 0.00 N ATOM 12 CA PHE A 2 1.018 5.852 10.938 1.00 0.00 C ATOM 13 C PHE A 2 0.504 4.799 11.889 1.00 0.00 C ATOM 14 O PHE A 2 1.227 3.870 12.214 1.00 0.00 O ATOM 15 CB PHE A 2 2.395 5.460 10.344 1.00 0.00 C ATOM 16 CG PHE A 2 2.702 6.274 9.081 1.00 0.00 C ATOM 17 CD1 PHE A 2 2.089 5.930 7.872 1.00 0.00 C ATOM 18 CD2 PHE A 2 3.597 7.350 9.123 1.00 0.00 C ATOM 19 CE1 PHE A 2 2.390 6.637 6.705 1.00 0.00 C ATOM 20 CE2 PHE A 2 3.919 8.042 7.952 1.00 0.00 C ATOM 21 CZ PHE A 2 3.324 7.672 6.743 1.00 0.00 C ATOM 0 H PHE A 2 0.638 7.915 11.135 1.00 0.00 H new ATOM 0 HA PHE A 2 0.336 5.937 10.092 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.176 5.626 11.086 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.403 4.396 10.106 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.381 5.115 7.840 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.040 7.646 10.063 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.901 6.383 5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.625 8.859 7.982 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.589 8.190 5.833 1.00 0.00 H new ATOM 31 N THR A 3 -0.756 4.948 12.351 1.00 0.00 N ATOM 32 CA THR A 3 -1.309 3.984 13.294 1.00 0.00 C ATOM 33 C THR A 3 -2.817 4.084 13.252 1.00 0.00 C ATOM 34 O THR A 3 -3.320 5.170 13.495 1.00 0.00 O ATOM 35 CB THR A 3 -0.796 4.292 14.727 1.00 0.00 C ATOM 36 OG1 THR A 3 0.627 4.089 14.763 1.00 0.00 O ATOM 37 CG2 THR A 3 -1.481 3.384 15.783 1.00 0.00 C ATOM 0 H THR A 3 -1.385 5.707 12.089 1.00 0.00 H new ATOM 0 HA THR A 3 -0.996 2.976 13.024 1.00 0.00 H new ATOM 0 HB THR A 3 -1.040 5.326 14.970 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.916 3.653 13.935 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.098 3.627 16.774 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.558 3.548 15.760 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.268 2.339 15.558 1.00 0.00 H new ATOM 45 N GLY A 4 -3.548 2.987 12.954 1.00 0.00 N ATOM 46 CA GLY A 4 -5.007 3.047 12.972 1.00 0.00 C ATOM 47 C GLY A 4 -5.591 2.039 12.019 1.00 0.00 C ATOM 48 O GLY A 4 -4.829 1.404 11.307 1.00 0.00 O ATOM 0 H GLY A 4 -3.156 2.079 12.706 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.372 2.855 13.981 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.338 4.049 12.698 1.00 0.00 H new ATOM 52 N LYS A 5 -6.937 1.905 11.986 1.00 0.00 N ATOM 53 CA LYS A 5 -7.572 1.101 10.947 1.00 0.00 C ATOM 54 C LYS A 5 -7.896 2.048 9.822 1.00 0.00 C ATOM 55 O LYS A 5 -8.207 3.196 10.099 1.00 0.00 O ATOM 56 CB LYS A 5 -8.833 0.356 11.455 1.00 0.00 C ATOM 57 CG LYS A 5 -9.562 -0.449 10.338 1.00 0.00 C ATOM 58 CD LYS A 5 -10.782 -1.253 10.876 1.00 0.00 C ATOM 59 CE LYS A 5 -10.435 -2.543 11.678 1.00 0.00 C ATOM 60 NZ LYS A 5 -10.017 -3.672 10.816 1.00 0.00 N ATOM 0 H LYS A 5 -7.579 2.335 12.652 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.900 0.309 10.616 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.547 -0.325 12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.526 1.079 11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.899 0.238 9.561 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.856 -1.136 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.374 -0.597 11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.413 -1.530 10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.636 -2.319 12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.304 -2.844 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.185 -4.137 11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.796 -4.357 10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.776 -3.315 9.869 1.00 0.00 H new ATOM 74 N PHE A 6 -7.821 1.578 8.557 1.00 0.00 N ATOM 75 CA PHE A 6 -8.126 2.431 7.418 1.00 0.00 C ATOM 76 C PHE A 6 -8.843 1.612 6.373 1.00 0.00 C ATOM 77 O PHE A 6 -8.810 0.400 6.507 1.00 0.00 O ATOM 78 CB PHE A 6 -6.835 3.028 6.805 1.00 0.00 C ATOM 79 CG PHE A 6 -5.961 3.803 7.794 1.00 0.00 C ATOM 80 CD1 PHE A 6 -5.072 3.119 8.628 1.00 0.00 C ATOM 81 CD2 PHE A 6 -6.018 5.200 7.845 1.00 0.00 C ATOM 82 CE1 PHE A 6 -4.225 3.829 9.483 1.00 0.00 C ATOM 83 CE2 PHE A 6 -5.153 5.912 8.680 1.00 0.00 C ATOM 84 CZ PHE A 6 -4.280 5.225 9.528 1.00 0.00 C ATOM 0 H PHE A 6 -7.554 0.624 8.315 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.755 3.254 7.757 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.245 2.219 6.375 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.111 3.692 5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.040 2.040 8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.734 5.731 7.236 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.526 3.297 10.111 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.159 6.992 8.670 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.650 5.771 10.215 1.00 0.00 H new ATOM 94 N GLU A 7 -9.487 2.224 5.347 1.00 0.00 N ATOM 95 CA GLU A 7 -10.151 1.422 4.317 1.00 0.00 C ATOM 96 C GLU A 7 -10.065 2.108 2.970 1.00 0.00 C ATOM 97 O GLU A 7 -10.455 3.264 2.915 1.00 0.00 O ATOM 98 CB GLU A 7 -11.642 1.147 4.651 1.00 0.00 C ATOM 99 CG GLU A 7 -11.844 0.572 6.078 1.00 0.00 C ATOM 100 CD GLU A 7 -13.310 0.345 6.342 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.058 1.357 6.427 1.00 0.00 O ATOM 102 OE2 GLU A 7 -13.727 -0.838 6.467 1.00 0.00 O ATOM 0 H GLU A 7 -9.554 3.234 5.221 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.628 0.466 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.208 2.074 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.050 0.447 3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.298 -0.366 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.436 1.261 6.817 1.00 0.00 H new ATOM 109 N MET A 8 -9.575 1.431 1.898 1.00 0.00 N ATOM 110 CA MET A 8 -9.437 2.076 0.590 1.00 0.00 C ATOM 111 C MET A 8 -10.728 2.797 0.259 1.00 0.00 C ATOM 112 O MET A 8 -11.710 2.114 0.023 1.00 0.00 O ATOM 113 CB MET A 8 -9.070 1.059 -0.529 1.00 0.00 C ATOM 114 CG MET A 8 -8.634 1.766 -1.848 1.00 0.00 C ATOM 115 SD MET A 8 -9.493 1.058 -3.291 1.00 0.00 S ATOM 116 CE MET A 8 -11.157 1.736 -3.017 1.00 0.00 C ATOM 0 H MET A 8 -9.277 0.456 1.924 1.00 0.00 H new ATOM 0 HA MET A 8 -8.616 2.791 0.642 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.263 0.414 -0.181 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.928 0.417 -0.729 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.850 2.832 -1.780 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.556 1.666 -1.978 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.705 1.747 -3.959 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.688 1.116 -2.295 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.077 2.753 -2.632 1.00 0.00 H new ATOM 126 N GLU A 9 -10.769 4.152 0.254 1.00 0.00 N ATOM 127 CA GLU A 9 -12.011 4.857 -0.067 1.00 0.00 C ATOM 128 C GLU A 9 -12.148 4.949 -1.568 1.00 0.00 C ATOM 129 O GLU A 9 -13.177 4.558 -2.097 1.00 0.00 O ATOM 130 CB GLU A 9 -12.043 6.286 0.547 1.00 0.00 C ATOM 131 CG GLU A 9 -13.337 7.057 0.172 1.00 0.00 C ATOM 132 CD GLU A 9 -13.342 8.440 0.774 1.00 0.00 C ATOM 133 OE1 GLU A 9 -12.342 9.182 0.571 1.00 0.00 O ATOM 134 OE2 GLU A 9 -14.342 8.800 1.453 1.00 0.00 O ATOM 0 H GLU A 9 -9.974 4.755 0.464 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.842 4.296 0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.966 6.215 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.175 6.847 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.419 7.129 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.208 6.502 0.521 1.00 0.00 H new ATOM 141 N SER A 10 -11.115 5.477 -2.265 1.00 0.00 N ATOM 142 CA SER A 10 -11.215 5.697 -3.706 1.00 0.00 C ATOM 143 C SER A 10 -9.840 5.675 -4.332 1.00 0.00 C ATOM 144 O SER A 10 -8.876 5.622 -3.585 1.00 0.00 O ATOM 145 CB SER A 10 -11.885 7.081 -3.911 1.00 0.00 C ATOM 146 OG SER A 10 -11.191 8.099 -3.170 1.00 0.00 O ATOM 0 H SER A 10 -10.223 5.751 -1.852 1.00 0.00 H new ATOM 0 HA SER A 10 -11.805 4.913 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.888 7.335 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.926 7.037 -3.590 1.00 0.00 H new ATOM 0 HG SER A 10 -11.628 8.964 -3.314 1.00 0.00 H new ATOM 152 N GLU A 11 -9.737 5.711 -5.684 1.00 0.00 N ATOM 153 CA GLU A 11 -8.428 5.660 -6.334 1.00 0.00 C ATOM 154 C GLU A 11 -8.408 6.479 -7.604 1.00 0.00 C ATOM 155 O GLU A 11 -9.464 6.891 -8.058 1.00 0.00 O ATOM 156 CB GLU A 11 -8.093 4.206 -6.768 1.00 0.00 C ATOM 157 CG GLU A 11 -8.290 3.166 -5.639 1.00 0.00 C ATOM 158 CD GLU A 11 -7.965 1.772 -6.118 1.00 0.00 C ATOM 159 OE1 GLU A 11 -8.431 1.402 -7.227 1.00 0.00 O ATOM 160 OE2 GLU A 11 -7.251 1.029 -5.396 1.00 0.00 O ATOM 0 H GLU A 11 -10.531 5.774 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.712 6.046 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.722 3.934 -7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.059 4.166 -7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.653 3.420 -4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.320 3.201 -5.285 1.00 0.00 H new ATOM 167 N LYS A 12 -7.208 6.674 -8.202 1.00 0.00 N ATOM 168 CA LYS A 12 -7.125 7.180 -9.572 1.00 0.00 C ATOM 169 C LYS A 12 -5.969 6.478 -10.242 1.00 0.00 C ATOM 170 O LYS A 12 -5.086 6.030 -9.528 1.00 0.00 O ATOM 171 CB LYS A 12 -6.960 8.721 -9.630 1.00 0.00 C ATOM 172 CG LYS A 12 -5.588 9.176 -9.066 1.00 0.00 C ATOM 173 CD LYS A 12 -5.396 10.718 -9.044 1.00 0.00 C ATOM 174 CE LYS A 12 -6.414 11.499 -8.163 1.00 0.00 C ATOM 175 NZ LYS A 12 -6.475 11.024 -6.760 1.00 0.00 N ATOM 0 H LYS A 12 -6.308 6.490 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.059 6.971 -10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.059 9.058 -10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.761 9.194 -9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.478 8.792 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.794 8.729 -9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.389 10.938 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.463 11.091 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.149 12.556 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.405 11.416 -8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.108 11.641 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.838 10.049 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.522 11.048 -6.344 1.00 0.00 H new ATOM 189 N ASN A 13 -5.957 6.355 -11.589 1.00 0.00 N ATOM 190 CA ASN A 13 -4.842 5.684 -12.257 1.00 0.00 C ATOM 191 C ASN A 13 -4.545 4.302 -11.702 1.00 0.00 C ATOM 192 O ASN A 13 -3.444 3.815 -11.903 1.00 0.00 O ATOM 193 CB ASN A 13 -3.616 6.634 -12.191 1.00 0.00 C ATOM 194 CG ASN A 13 -3.896 7.999 -12.773 1.00 0.00 C ATOM 195 OD1 ASN A 13 -4.977 8.231 -13.293 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.922 8.933 -12.695 1.00 0.00 N ATOM 0 H ASN A 13 -6.687 6.703 -12.210 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.110 5.491 -13.296 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.305 6.745 -11.152 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.782 6.180 -12.727 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.078 9.866 -13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.031 8.705 -12.254 1.00 0.00 H new ATOM 203 N TYR A 14 -5.507 3.642 -11.014 1.00 0.00 N ATOM 204 CA TYR A 14 -5.272 2.299 -10.485 1.00 0.00 C ATOM 205 C TYR A 14 -5.341 1.272 -11.585 1.00 0.00 C ATOM 206 O TYR A 14 -4.447 0.446 -11.680 1.00 0.00 O ATOM 207 CB TYR A 14 -6.326 1.966 -9.398 1.00 0.00 C ATOM 208 CG TYR A 14 -6.341 0.487 -9.015 1.00 0.00 C ATOM 209 CD1 TYR A 14 -5.305 -0.021 -8.230 1.00 0.00 C ATOM 210 CD2 TYR A 14 -7.386 -0.356 -9.411 1.00 0.00 C ATOM 211 CE1 TYR A 14 -5.421 -1.289 -7.661 1.00 0.00 C ATOM 212 CE2 TYR A 14 -7.495 -1.636 -8.859 1.00 0.00 C ATOM 213 CZ TYR A 14 -6.499 -2.108 -8.005 1.00 0.00 C ATOM 214 OH TYR A 14 -6.564 -3.396 -7.488 1.00 0.00 O ATOM 0 H TYR A 14 -6.435 4.019 -10.820 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.275 2.274 -10.045 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.125 2.564 -8.509 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.314 2.253 -9.758 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.415 0.567 -8.063 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.106 -0.018 -10.141 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.680 -1.637 -6.957 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.347 -2.257 -9.093 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.128 -3.419 -6.611 1.00 0.00 H new ATOM 224 N ASP A 15 -6.403 1.289 -12.417 1.00 0.00 N ATOM 225 CA ASP A 15 -6.559 0.225 -13.401 1.00 0.00 C ATOM 226 C ASP A 15 -5.315 0.067 -14.242 1.00 0.00 C ATOM 227 O ASP A 15 -4.758 -1.019 -14.287 1.00 0.00 O ATOM 228 CB ASP A 15 -7.786 0.467 -14.316 1.00 0.00 C ATOM 229 CG ASP A 15 -9.055 0.343 -13.510 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.354 1.291 -12.734 1.00 0.00 O ATOM 231 OD2 ASP A 15 -9.758 -0.696 -13.639 1.00 0.00 O ATOM 0 H ASP A 15 -7.133 2.002 -12.422 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.723 -0.697 -12.844 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.726 1.458 -14.767 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.791 -0.255 -15.133 1.00 0.00 H new ATOM 236 N GLU A 16 -4.870 1.146 -14.921 1.00 0.00 N ATOM 237 CA GLU A 16 -3.704 1.022 -15.790 1.00 0.00 C ATOM 238 C GLU A 16 -2.497 0.603 -14.983 1.00 0.00 C ATOM 239 O GLU A 16 -1.866 -0.373 -15.350 1.00 0.00 O ATOM 240 CB GLU A 16 -3.358 2.326 -16.563 1.00 0.00 C ATOM 241 CG GLU A 16 -4.523 2.805 -17.468 1.00 0.00 C ATOM 242 CD GLU A 16 -4.037 3.895 -18.390 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.833 5.039 -17.899 1.00 0.00 O ATOM 244 OE2 GLU A 16 -3.853 3.620 -19.606 1.00 0.00 O ATOM 0 H GLU A 16 -5.289 2.075 -14.882 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.964 0.265 -16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.109 3.112 -15.850 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.472 2.158 -17.175 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.911 1.969 -18.050 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.345 3.174 -16.854 1.00 0.00 H new ATOM 251 N PHE A 17 -2.147 1.298 -13.878 1.00 0.00 N ATOM 252 CA PHE A 17 -0.996 0.863 -13.083 1.00 0.00 C ATOM 253 C PHE A 17 -0.977 -0.629 -12.895 1.00 0.00 C ATOM 254 O PHE A 17 0.083 -1.220 -13.006 1.00 0.00 O ATOM 255 CB PHE A 17 -1.069 1.431 -11.649 1.00 0.00 C ATOM 256 CG PHE A 17 0.114 0.981 -10.776 1.00 0.00 C ATOM 257 CD1 PHE A 17 1.335 1.634 -10.965 1.00 0.00 C ATOM 258 CD2 PHE A 17 -0.010 -0.002 -9.790 1.00 0.00 C ATOM 259 CE1 PHE A 17 2.421 1.334 -10.143 1.00 0.00 C ATOM 260 CE2 PHE A 17 1.070 -0.273 -8.945 1.00 0.00 C ATOM 261 CZ PHE A 17 2.303 0.346 -9.165 1.00 0.00 C ATOM 0 H PHE A 17 -2.628 2.129 -13.533 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.120 1.213 -13.629 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.090 2.520 -11.694 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.002 1.113 -11.183 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.438 2.371 -11.748 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.935 -0.549 -9.682 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.353 1.866 -10.263 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.951 -0.961 -8.121 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.164 0.060 -8.579 1.00 0.00 H new ATOM 271 N MET A 18 -2.146 -1.234 -12.602 1.00 0.00 N ATOM 272 CA MET A 18 -2.183 -2.663 -12.321 1.00 0.00 C ATOM 273 C MET A 18 -2.079 -3.433 -13.615 1.00 0.00 C ATOM 274 O MET A 18 -1.470 -4.490 -13.612 1.00 0.00 O ATOM 275 CB MET A 18 -3.479 -3.032 -11.563 1.00 0.00 C ATOM 276 CG MET A 18 -3.549 -2.417 -10.141 1.00 0.00 C ATOM 277 SD MET A 18 -2.231 -3.079 -9.063 1.00 0.00 S ATOM 278 CE MET A 18 -3.106 -4.311 -8.049 1.00 0.00 C ATOM 0 H MET A 18 -3.049 -0.761 -12.557 1.00 0.00 H new ATOM 0 HA MET A 18 -1.338 -2.927 -11.685 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.339 -2.694 -12.141 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.552 -4.117 -11.487 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.457 -1.333 -10.207 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.523 -2.628 -9.699 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.384 -5.001 -7.612 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.653 -3.805 -7.253 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.806 -4.866 -8.674 1.00 0.00 H new ATOM 288 N LYS A 19 -2.652 -2.937 -14.735 1.00 0.00 N ATOM 289 CA LYS A 19 -2.524 -3.667 -15.996 1.00 0.00 C ATOM 290 C LYS A 19 -1.062 -3.658 -16.412 1.00 0.00 C ATOM 291 O LYS A 19 -0.612 -4.666 -16.935 1.00 0.00 O ATOM 292 CB LYS A 19 -3.565 -3.179 -17.057 1.00 0.00 C ATOM 293 CG LYS A 19 -3.070 -2.068 -18.023 1.00 0.00 C ATOM 294 CD LYS A 19 -2.289 -2.596 -19.266 1.00 0.00 C ATOM 295 CE LYS A 19 -3.173 -2.802 -20.532 1.00 0.00 C ATOM 296 NZ LYS A 19 -4.265 -3.789 -20.371 1.00 0.00 N ATOM 0 H LYS A 19 -3.185 -2.069 -14.784 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.793 -4.717 -15.881 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.881 -4.037 -17.651 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.447 -2.812 -16.532 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.930 -1.493 -18.367 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.428 -1.382 -17.470 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.490 -1.894 -19.504 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.815 -3.543 -19.009 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.607 -1.843 -20.815 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.534 -3.119 -21.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.801 -3.862 -21.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.861 -4.717 -20.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.901 -3.482 -19.608 1.00 0.00 H new ATOM 310 N LEU A 20 -0.285 -2.569 -16.171 1.00 0.00 N ATOM 311 CA LEU A 20 1.156 -2.610 -16.445 1.00 0.00 C ATOM 312 C LEU A 20 1.797 -3.537 -15.432 1.00 0.00 C ATOM 313 O LEU A 20 2.536 -4.427 -15.823 1.00 0.00 O ATOM 314 CB LEU A 20 1.910 -1.245 -16.317 1.00 0.00 C ATOM 315 CG LEU A 20 1.768 -0.227 -17.491 1.00 0.00 C ATOM 316 CD1 LEU A 20 2.276 -0.786 -18.850 1.00 0.00 C ATOM 317 CD2 LEU A 20 0.323 0.311 -17.636 1.00 0.00 C ATOM 0 H LEU A 20 -0.628 -1.683 -15.799 1.00 0.00 H new ATOM 0 HA LEU A 20 1.241 -2.930 -17.483 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.567 -0.756 -15.405 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.971 -1.458 -16.184 1.00 0.00 H new ATOM 0 HG LEU A 20 2.415 0.607 -17.221 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.150 -0.030 -19.625 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.331 -1.046 -18.765 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.704 -1.675 -19.114 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.279 1.015 -18.467 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.357 -0.519 -17.827 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.029 0.816 -16.716 1.00 0.00 H new ATOM 329 N LEU A 21 1.529 -3.316 -14.123 1.00 0.00 N ATOM 330 CA LEU A 21 2.171 -4.104 -13.066 1.00 0.00 C ATOM 331 C LEU A 21 2.065 -5.573 -13.414 1.00 0.00 C ATOM 332 O LEU A 21 3.038 -6.295 -13.268 1.00 0.00 O ATOM 333 CB LEU A 21 1.474 -3.824 -11.701 1.00 0.00 C ATOM 334 CG LEU A 21 2.220 -4.274 -10.416 1.00 0.00 C ATOM 335 CD1 LEU A 21 3.497 -3.426 -10.160 1.00 0.00 C ATOM 336 CD2 LEU A 21 1.269 -4.082 -9.203 1.00 0.00 C ATOM 0 H LEU A 21 0.880 -2.606 -13.785 1.00 0.00 H new ATOM 0 HA LEU A 21 3.222 -3.825 -12.984 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.293 -2.752 -11.628 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.499 -4.312 -11.714 1.00 0.00 H new ATOM 0 HG LEU A 21 2.514 -5.316 -10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.989 -3.774 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.178 -3.531 -11.004 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.221 -2.378 -10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.776 -4.393 -8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.989 -3.032 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.373 -4.686 -9.344 1.00 0.00 H new ATOM 348 N GLY A 22 0.872 -5.993 -13.902 1.00 0.00 N ATOM 349 CA GLY A 22 0.673 -7.345 -14.421 1.00 0.00 C ATOM 350 C GLY A 22 -0.420 -8.058 -13.660 1.00 0.00 C ATOM 351 O GLY A 22 -0.134 -9.103 -13.098 1.00 0.00 O ATOM 0 H GLY A 22 0.040 -5.405 -13.942 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.415 -7.299 -15.479 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.603 -7.909 -14.344 1.00 0.00 H new ATOM 355 N ILE A 23 -1.664 -7.514 -13.640 1.00 0.00 N ATOM 356 CA ILE A 23 -2.763 -8.132 -12.893 1.00 0.00 C ATOM 357 C ILE A 23 -3.926 -8.323 -13.842 1.00 0.00 C ATOM 358 O ILE A 23 -4.005 -7.599 -14.822 1.00 0.00 O ATOM 359 CB ILE A 23 -3.208 -7.219 -11.716 1.00 0.00 C ATOM 360 CG1 ILE A 23 -2.005 -6.632 -10.923 1.00 0.00 C ATOM 361 CG2 ILE A 23 -4.244 -7.903 -10.778 1.00 0.00 C ATOM 362 CD1 ILE A 23 -1.187 -7.672 -10.121 1.00 0.00 C ATOM 0 H ILE A 23 -1.918 -6.657 -14.131 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.433 -9.086 -12.482 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.720 -6.375 -12.178 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.338 -6.127 -11.622 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.377 -5.874 -10.234 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.517 -7.217 -9.976 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.134 -8.166 -11.349 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.808 -8.806 -10.351 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.370 -7.170 -9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.834 -8.161 -9.393 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.779 -8.418 -10.803 1.00 0.00 H new ATOM 374 N SER A 24 -4.833 -9.290 -13.573 1.00 0.00 N ATOM 375 CA SER A 24 -5.930 -9.552 -14.506 1.00 0.00 C ATOM 376 C SER A 24 -6.997 -8.482 -14.503 1.00 0.00 C ATOM 377 O SER A 24 -7.094 -7.755 -13.529 1.00 0.00 O ATOM 378 CB SER A 24 -6.624 -10.907 -14.213 1.00 0.00 C ATOM 379 OG SER A 24 -7.654 -11.140 -15.190 1.00 0.00 O ATOM 0 H SER A 24 -4.822 -9.881 -12.741 1.00 0.00 H new ATOM 0 HA SER A 24 -5.452 -9.567 -15.485 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.893 -11.715 -14.240 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.053 -10.899 -13.211 1.00 0.00 H new ATOM 0 HG SER A 24 -8.092 -11.997 -15.006 1.00 0.00 H new ATOM 385 N SER A 25 -7.818 -8.396 -15.581 1.00 0.00 N ATOM 386 CA SER A 25 -8.912 -7.423 -15.634 1.00 0.00 C ATOM 387 C SER A 25 -10.128 -8.028 -14.967 1.00 0.00 C ATOM 388 O SER A 25 -11.131 -8.271 -15.619 1.00 0.00 O ATOM 389 CB SER A 25 -9.189 -7.030 -17.110 1.00 0.00 C ATOM 390 OG SER A 25 -9.461 -8.190 -17.914 1.00 0.00 O ATOM 0 H SER A 25 -7.736 -8.985 -16.409 1.00 0.00 H new ATOM 0 HA SER A 25 -8.647 -6.510 -15.101 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.037 -6.347 -17.154 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.329 -6.497 -17.515 1.00 0.00 H new ATOM 0 HG SER A 25 -10.197 -8.699 -17.515 1.00 0.00 H new ATOM 396 N ASP A 26 -10.028 -8.272 -13.642 1.00 0.00 N ATOM 397 CA ASP A 26 -11.121 -8.884 -12.887 1.00 0.00 C ATOM 398 C ASP A 26 -10.830 -8.727 -11.410 1.00 0.00 C ATOM 399 O ASP A 26 -11.632 -8.144 -10.697 1.00 0.00 O ATOM 400 CB ASP A 26 -11.300 -10.378 -13.262 1.00 0.00 C ATOM 401 CG ASP A 26 -12.320 -11.006 -12.347 1.00 0.00 C ATOM 402 OD1 ASP A 26 -13.539 -10.910 -12.654 1.00 0.00 O ATOM 403 OD2 ASP A 26 -11.912 -11.593 -11.308 1.00 0.00 O ATOM 0 H ASP A 26 -9.203 -8.053 -13.084 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.057 -8.383 -13.134 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.622 -10.468 -14.299 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.348 -10.902 -13.177 1.00 0.00 H new ATOM 408 N VAL A 27 -9.657 -9.219 -10.948 1.00 0.00 N ATOM 409 CA VAL A 27 -9.215 -8.893 -9.597 1.00 0.00 C ATOM 410 C VAL A 27 -9.136 -7.386 -9.521 1.00 0.00 C ATOM 411 O VAL A 27 -9.626 -6.824 -8.555 1.00 0.00 O ATOM 412 CB VAL A 27 -7.833 -9.528 -9.266 1.00 0.00 C ATOM 413 CG1 VAL A 27 -7.265 -8.961 -7.935 1.00 0.00 C ATOM 414 CG2 VAL A 27 -7.953 -11.076 -9.188 1.00 0.00 C ATOM 0 H VAL A 27 -9.028 -9.821 -11.479 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.917 -9.296 -8.866 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.140 -9.270 -10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.299 -9.421 -7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.142 -7.882 -8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.955 -9.183 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.978 -11.505 -8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.664 -11.347 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.301 -11.463 -10.146 1.00 0.00 H new ATOM 424 N ILE A 28 -8.538 -6.713 -10.531 1.00 0.00 N ATOM 425 CA ILE A 28 -8.519 -5.252 -10.529 1.00 0.00 C ATOM 426 C ILE A 28 -9.937 -4.766 -10.344 1.00 0.00 C ATOM 427 O ILE A 28 -10.197 -4.018 -9.415 1.00 0.00 O ATOM 428 CB ILE A 28 -7.949 -4.634 -11.849 1.00 0.00 C ATOM 429 CG1 ILE A 28 -6.456 -5.014 -12.083 1.00 0.00 C ATOM 430 CG2 ILE A 28 -8.091 -3.082 -11.865 1.00 0.00 C ATOM 431 CD1 ILE A 28 -5.978 -4.711 -13.532 1.00 0.00 C ATOM 0 H ILE A 28 -8.079 -7.151 -11.329 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.861 -4.935 -9.720 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.545 -5.057 -12.658 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.831 -4.467 -11.377 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.319 -6.075 -11.874 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.684 -2.689 -12.797 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.144 -2.812 -11.786 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.544 -2.658 -11.023 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.931 -4.996 -13.637 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.581 -5.279 -14.240 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.086 -3.646 -13.736 1.00 0.00 H new ATOM 443 N GLU A 29 -10.861 -5.177 -11.240 1.00 0.00 N ATOM 444 CA GLU A 29 -12.196 -4.588 -11.228 1.00 0.00 C ATOM 445 C GLU A 29 -12.822 -4.747 -9.863 1.00 0.00 C ATOM 446 O GLU A 29 -13.519 -3.842 -9.430 1.00 0.00 O ATOM 447 CB GLU A 29 -13.143 -5.198 -12.300 1.00 0.00 C ATOM 448 CG GLU A 29 -12.609 -5.068 -13.756 1.00 0.00 C ATOM 449 CD GLU A 29 -12.137 -3.665 -14.043 1.00 0.00 C ATOM 450 OE1 GLU A 29 -13.001 -2.788 -14.314 1.00 0.00 O ATOM 451 OE2 GLU A 29 -10.898 -3.427 -13.994 1.00 0.00 O ATOM 0 H GLU A 29 -10.706 -5.890 -11.953 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.069 -3.533 -11.470 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.301 -6.252 -12.074 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.115 -4.708 -12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.788 -5.769 -13.908 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.395 -5.341 -14.460 1.00 0.00 H new ATOM 458 N LYS A 30 -12.581 -5.884 -9.170 1.00 0.00 N ATOM 459 CA LYS A 30 -13.163 -6.053 -7.843 1.00 0.00 C ATOM 460 C LYS A 30 -12.368 -5.198 -6.895 1.00 0.00 C ATOM 461 O LYS A 30 -12.926 -4.263 -6.351 1.00 0.00 O ATOM 462 CB LYS A 30 -13.189 -7.528 -7.353 1.00 0.00 C ATOM 463 CG LYS A 30 -14.265 -8.342 -8.117 1.00 0.00 C ATOM 464 CD LYS A 30 -14.180 -9.857 -7.789 1.00 0.00 C ATOM 465 CE LYS A 30 -15.313 -10.684 -8.460 1.00 0.00 C ATOM 466 NZ LYS A 30 -15.273 -10.651 -9.941 1.00 0.00 N ATOM 0 H LYS A 30 -12.010 -6.662 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.209 -5.749 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.209 -7.983 -7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.396 -7.557 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.256 -7.969 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.139 -8.194 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.214 -10.241 -8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.228 -9.993 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.243 -11.719 -8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.277 -10.305 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.054 -11.222 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.369 -9.669 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.367 -11.039 -10.273 1.00 0.00 H new ATOM 480 N ALA A 31 -11.071 -5.496 -6.691 1.00 0.00 N ATOM 481 CA ALA A 31 -10.284 -4.787 -5.688 1.00 0.00 C ATOM 482 C ALA A 31 -10.605 -3.314 -5.599 1.00 0.00 C ATOM 483 O ALA A 31 -10.620 -2.796 -4.493 1.00 0.00 O ATOM 484 CB ALA A 31 -8.783 -4.934 -6.028 1.00 0.00 C ATOM 0 H ALA A 31 -10.560 -6.214 -7.204 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.532 -5.234 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.188 -4.407 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.512 -5.990 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.590 -4.510 -7.013 1.00 0.00 H new ATOM 490 N ARG A 32 -10.863 -2.624 -6.736 1.00 0.00 N ATOM 491 CA ARG A 32 -11.190 -1.201 -6.655 1.00 0.00 C ATOM 492 C ARG A 32 -12.620 -0.993 -6.205 1.00 0.00 C ATOM 493 O ARG A 32 -12.842 -0.139 -5.360 1.00 0.00 O ATOM 494 CB ARG A 32 -10.883 -0.391 -7.946 1.00 0.00 C ATOM 495 CG ARG A 32 -11.703 -0.774 -9.212 1.00 0.00 C ATOM 496 CD ARG A 32 -11.621 0.340 -10.294 1.00 0.00 C ATOM 497 NE ARG A 32 -12.407 1.520 -9.916 1.00 0.00 N ATOM 498 CZ ARG A 32 -12.486 2.611 -10.649 1.00 0.00 C ATOM 499 NH1 ARG A 32 -11.858 2.746 -11.794 1.00 0.00 N ATOM 500 NH2 ARG A 32 -13.228 3.608 -10.220 1.00 0.00 N ATOM 0 H ARG A 32 -10.850 -3.018 -7.677 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.517 -0.797 -5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.052 0.665 -7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.824 -0.504 -8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.327 -1.711 -9.622 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.744 -0.941 -8.937 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.580 0.628 -10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.983 -0.049 -11.246 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.921 1.494 -9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.278 1.986 -12.151 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.950 3.611 -12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.729 3.527 -9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.303 4.462 -10.772 1.00 0.00 H new ATOM 514 N ASN A 33 -13.612 -1.744 -6.736 1.00 0.00 N ATOM 515 CA ASN A 33 -14.996 -1.533 -6.311 1.00 0.00 C ATOM 516 C ASN A 33 -15.128 -2.135 -4.931 1.00 0.00 C ATOM 517 O ASN A 33 -15.529 -1.444 -4.007 1.00 0.00 O ATOM 518 CB ASN A 33 -16.005 -2.149 -7.319 1.00 0.00 C ATOM 519 CG ASN A 33 -17.447 -1.926 -6.924 1.00 0.00 C ATOM 520 OD1 ASN A 33 -17.712 -1.306 -5.906 1.00 0.00 O ATOM 521 ND2 ASN A 33 -18.409 -2.427 -7.729 1.00 0.00 N ATOM 0 H ASN A 33 -13.479 -2.475 -7.435 1.00 0.00 H new ATOM 0 HA ASN A 33 -15.233 -0.469 -6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.834 -1.718 -8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.819 -3.220 -7.403 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -19.392 -2.292 -7.494 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -18.152 -2.940 -8.572 1.00 0.00 H new ATOM 528 N PHE A 34 -14.762 -3.429 -4.787 1.00 0.00 N ATOM 529 CA PHE A 34 -14.709 -4.060 -3.473 1.00 0.00 C ATOM 530 C PHE A 34 -13.911 -3.154 -2.567 1.00 0.00 C ATOM 531 O PHE A 34 -12.737 -2.969 -2.844 1.00 0.00 O ATOM 532 CB PHE A 34 -13.985 -5.436 -3.571 1.00 0.00 C ATOM 533 CG PHE A 34 -13.653 -6.138 -2.244 1.00 0.00 C ATOM 534 CD1 PHE A 34 -14.385 -5.911 -1.072 1.00 0.00 C ATOM 535 CD2 PHE A 34 -12.593 -7.053 -2.209 1.00 0.00 C ATOM 536 CE1 PHE A 34 -13.994 -6.498 0.135 1.00 0.00 C ATOM 537 CE2 PHE A 34 -12.259 -7.710 -1.023 1.00 0.00 C ATOM 538 CZ PHE A 34 -12.910 -7.378 0.167 1.00 0.00 C ATOM 0 H PHE A 34 -14.504 -4.040 -5.562 1.00 0.00 H new ATOM 0 HA PHE A 34 -15.717 -4.218 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -14.607 -6.106 -4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -13.055 -5.293 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.259 -5.277 -1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.029 -7.252 -3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.531 -6.271 1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.497 -8.475 -1.026 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.578 -7.798 1.105 1.00 0.00 H new ATOM 548 N LYS A 35 -14.500 -2.577 -1.494 1.00 0.00 N ATOM 549 CA LYS A 35 -13.683 -1.783 -0.580 1.00 0.00 C ATOM 550 C LYS A 35 -12.642 -2.713 -0.002 1.00 0.00 C ATOM 551 O LYS A 35 -12.872 -3.910 0.018 1.00 0.00 O ATOM 552 CB LYS A 35 -14.492 -1.136 0.580 1.00 0.00 C ATOM 553 CG LYS A 35 -15.488 -0.035 0.109 1.00 0.00 C ATOM 554 CD LYS A 35 -14.789 1.302 -0.268 1.00 0.00 C ATOM 555 CE LYS A 35 -15.791 2.443 -0.607 1.00 0.00 C ATOM 556 NZ LYS A 35 -16.586 2.185 -1.831 1.00 0.00 N ATOM 0 H LYS A 35 -15.489 -2.646 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.248 -0.955 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.046 -1.915 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.797 -0.702 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.045 -0.402 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.214 0.152 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.154 1.619 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.136 1.134 -1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.469 2.583 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.240 3.375 -0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.232 2.982 -2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.947 2.080 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.138 1.312 -1.709 1.00 0.00 H new ATOM 570 N ILE A 36 -11.491 -2.183 0.464 1.00 0.00 N ATOM 571 CA ILE A 36 -10.426 -3.037 0.989 1.00 0.00 C ATOM 572 C ILE A 36 -9.977 -2.419 2.286 1.00 0.00 C ATOM 573 O ILE A 36 -10.157 -1.222 2.434 1.00 0.00 O ATOM 574 CB ILE A 36 -9.304 -3.201 -0.086 1.00 0.00 C ATOM 575 CG1 ILE A 36 -9.720 -4.304 -1.111 1.00 0.00 C ATOM 576 CG2 ILE A 36 -7.898 -3.449 0.536 1.00 0.00 C ATOM 577 CD1 ILE A 36 -8.620 -4.669 -2.142 1.00 0.00 C ATOM 0 H ILE A 36 -11.285 -1.184 0.484 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.756 -4.054 1.201 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.203 -2.257 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.001 -5.204 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.607 -3.968 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.161 -3.555 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.627 -2.606 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.920 -4.361 1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.993 -5.442 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.354 -3.783 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.739 -5.039 -1.618 1.00 0.00 H new ATOM 589 N VAL A 37 -9.424 -3.219 3.229 1.00 0.00 N ATOM 590 CA VAL A 37 -9.087 -2.691 4.546 1.00 0.00 C ATOM 591 C VAL A 37 -7.596 -2.513 4.624 1.00 0.00 C ATOM 592 O VAL A 37 -6.870 -3.187 3.910 1.00 0.00 O ATOM 593 CB VAL A 37 -9.616 -3.622 5.668 1.00 0.00 C ATOM 594 CG1 VAL A 37 -9.278 -3.153 7.111 1.00 0.00 C ATOM 595 CG2 VAL A 37 -11.152 -3.746 5.527 1.00 0.00 C ATOM 0 H VAL A 37 -9.211 -4.207 3.095 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.568 -1.724 4.692 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.111 -4.579 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.687 -3.863 7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.196 -3.097 7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.714 -2.169 7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.538 -4.398 6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.607 -2.760 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.395 -4.167 4.552 1.00 0.00 H new ATOM 605 N THR A 38 -7.148 -1.600 5.510 1.00 0.00 N ATOM 606 CA THR A 38 -5.724 -1.401 5.729 1.00 0.00 C ATOM 607 C THR A 38 -5.523 -1.051 7.180 1.00 0.00 C ATOM 608 O THR A 38 -6.104 -0.065 7.592 1.00 0.00 O ATOM 609 CB THR A 38 -5.132 -0.322 4.788 1.00 0.00 C ATOM 610 OG1 THR A 38 -5.072 -0.798 3.431 1.00 0.00 O ATOM 611 CG2 THR A 38 -3.730 0.123 5.286 1.00 0.00 C ATOM 0 H THR A 38 -7.753 -1.002 6.073 1.00 0.00 H new ATOM 0 HA THR A 38 -5.187 -2.319 5.491 1.00 0.00 H new ATOM 0 HB THR A 38 -5.791 0.546 4.805 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.489 -1.683 3.376 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.329 0.881 4.613 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.815 0.537 6.291 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.060 -0.737 5.304 1.00 0.00 H new ATOM 619 N GLU A 39 -4.724 -1.820 7.954 1.00 0.00 N ATOM 620 CA GLU A 39 -4.470 -1.485 9.351 1.00 0.00 C ATOM 621 C GLU A 39 -3.005 -1.170 9.484 1.00 0.00 C ATOM 622 O GLU A 39 -2.233 -1.688 8.693 1.00 0.00 O ATOM 623 CB GLU A 39 -4.789 -2.691 10.274 1.00 0.00 C ATOM 624 CG GLU A 39 -6.297 -3.042 10.251 1.00 0.00 C ATOM 625 CD GLU A 39 -6.584 -4.335 10.973 1.00 0.00 C ATOM 626 OE1 GLU A 39 -5.950 -4.585 12.034 1.00 0.00 O ATOM 627 OE2 GLU A 39 -7.449 -5.113 10.486 1.00 0.00 O ATOM 0 H GLU A 39 -4.254 -2.665 7.629 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.098 -0.642 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.208 -3.557 9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.484 -2.460 11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.865 -2.234 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.636 -3.120 9.218 1.00 0.00 H new ATOM 634 N VAL A 40 -2.616 -0.337 10.477 1.00 0.00 N ATOM 635 CA VAL A 40 -1.201 -0.051 10.685 1.00 0.00 C ATOM 636 C VAL A 40 -0.949 0.088 12.167 1.00 0.00 C ATOM 637 O VAL A 40 -1.833 0.572 12.855 1.00 0.00 O ATOM 638 CB VAL A 40 -0.774 1.267 9.973 1.00 0.00 C ATOM 639 CG1 VAL A 40 0.765 1.465 10.040 1.00 0.00 C ATOM 640 CG2 VAL A 40 -1.228 1.286 8.490 1.00 0.00 C ATOM 0 H VAL A 40 -3.251 0.131 11.124 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.617 -0.870 10.264 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.265 2.085 10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.035 2.393 9.535 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.081 1.514 11.082 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.261 0.628 9.550 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.913 2.220 8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.777 0.447 7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.314 1.204 8.441 1.00 0.00 H new ATOM 650 N GLN A 41 0.246 -0.301 12.669 1.00 0.00 N ATOM 651 CA GLN A 41 0.625 0.068 14.030 1.00 0.00 C ATOM 652 C GLN A 41 2.121 0.262 14.012 1.00 0.00 C ATOM 653 O GLN A 41 2.837 -0.718 14.135 1.00 0.00 O ATOM 654 CB GLN A 41 0.111 -0.931 15.099 1.00 0.00 C ATOM 655 CG GLN A 41 0.547 -0.509 16.528 1.00 0.00 C ATOM 656 CD GLN A 41 0.009 -1.485 17.549 1.00 0.00 C ATOM 657 OE1 GLN A 41 0.776 -2.276 18.076 1.00 0.00 O ATOM 658 NE2 GLN A 41 -1.309 -1.455 17.844 1.00 0.00 N ATOM 0 H GLN A 41 0.937 -0.853 12.161 1.00 0.00 H new ATOM 0 HA GLN A 41 0.141 0.995 14.337 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.976 -0.989 15.051 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.493 -1.928 14.880 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.635 -0.472 16.588 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.181 0.494 16.746 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.919 -0.780 17.383 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.694 -2.107 18.527 1.00 0.00 H new ATOM 667 N GLN A 42 2.613 1.510 13.825 1.00 0.00 N ATOM 668 CA GLN A 42 4.054 1.698 13.684 1.00 0.00 C ATOM 669 C GLN A 42 4.724 1.327 14.986 1.00 0.00 C ATOM 670 O GLN A 42 4.044 1.262 15.998 1.00 0.00 O ATOM 671 CB GLN A 42 4.480 3.094 13.149 1.00 0.00 C ATOM 672 CG GLN A 42 4.296 4.240 14.177 1.00 0.00 C ATOM 673 CD GLN A 42 5.269 4.164 15.329 1.00 0.00 C ATOM 674 OE1 GLN A 42 6.433 3.887 15.087 1.00 0.00 O ATOM 675 NE2 GLN A 42 4.840 4.415 16.586 1.00 0.00 N ATOM 0 H GLN A 42 2.052 2.360 13.772 1.00 0.00 H new ATOM 0 HA GLN A 42 4.399 1.027 12.897 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.527 3.053 12.847 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.899 3.323 12.255 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.416 5.197 13.670 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.278 4.211 14.566 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.860 4.644 16.754 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.496 4.376 17.366 1.00 0.00 H new ATOM 684 N ASP A 43 6.049 1.065 14.971 1.00 0.00 N ATOM 685 CA ASP A 43 6.727 0.552 16.158 1.00 0.00 C ATOM 686 C ASP A 43 8.146 1.065 16.147 1.00 0.00 C ATOM 687 O ASP A 43 9.077 0.289 15.999 1.00 0.00 O ATOM 688 CB ASP A 43 6.643 -0.993 16.073 1.00 0.00 C ATOM 689 CG ASP A 43 7.295 -1.642 17.267 1.00 0.00 C ATOM 690 OD1 ASP A 43 6.755 -1.486 18.395 1.00 0.00 O ATOM 691 OD2 ASP A 43 8.350 -2.311 17.089 1.00 0.00 O ATOM 0 H ASP A 43 6.653 1.201 14.160 1.00 0.00 H new ATOM 0 HA ASP A 43 6.276 0.879 17.095 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.599 -1.300 16.014 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.128 -1.336 15.159 1.00 0.00 H new ATOM 696 N GLY A 44 8.317 2.399 16.282 1.00 0.00 N ATOM 697 CA GLY A 44 9.649 2.965 16.136 1.00 0.00 C ATOM 698 C GLY A 44 10.083 2.793 14.703 1.00 0.00 C ATOM 699 O GLY A 44 9.244 2.742 13.818 1.00 0.00 O ATOM 0 H GLY A 44 7.575 3.069 16.483 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.645 4.021 16.407 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.349 2.467 16.807 1.00 0.00 H new ATOM 703 N GLN A 45 11.410 2.704 14.480 1.00 0.00 N ATOM 704 CA GLN A 45 11.934 2.432 13.140 1.00 0.00 C ATOM 705 C GLN A 45 11.229 1.225 12.549 1.00 0.00 C ATOM 706 O GLN A 45 10.968 1.243 11.357 1.00 0.00 O ATOM 707 CB GLN A 45 13.474 2.213 13.234 1.00 0.00 C ATOM 708 CG GLN A 45 14.184 2.342 11.865 1.00 0.00 C ATOM 709 CD GLN A 45 15.655 2.013 11.976 1.00 0.00 C ATOM 710 OE1 GLN A 45 16.065 0.950 11.536 1.00 0.00 O ATOM 711 NE2 GLN A 45 16.478 2.908 12.565 1.00 0.00 N ATOM 0 H GLN A 45 12.122 2.815 15.202 1.00 0.00 H new ATOM 0 HA GLN A 45 11.747 3.278 12.479 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.898 2.939 13.928 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.671 1.224 13.648 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.713 1.673 11.144 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.064 3.356 11.485 1.00 0.00 H new ATOM 0 HE21 GLN A 45 16.104 3.787 12.922 1.00 0.00 H new ATOM 0 HE22 GLN A 45 17.474 2.705 12.652 1.00 0.00 H new ATOM 720 N ASP A 46 10.897 0.182 13.349 1.00 0.00 N ATOM 721 CA ASP A 46 10.139 -0.956 12.815 1.00 0.00 C ATOM 722 C ASP A 46 8.674 -0.607 12.653 1.00 0.00 C ATOM 723 O ASP A 46 8.217 0.294 13.335 1.00 0.00 O ATOM 724 CB ASP A 46 10.296 -2.218 13.697 1.00 0.00 C ATOM 725 CG ASP A 46 9.481 -3.368 13.160 1.00 0.00 C ATOM 726 OD1 ASP A 46 9.911 -3.978 12.144 1.00 0.00 O ATOM 727 OD2 ASP A 46 8.401 -3.664 13.741 1.00 0.00 O ATOM 0 H ASP A 46 11.138 0.112 14.338 1.00 0.00 H new ATOM 0 HA ASP A 46 10.554 -1.182 11.833 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.347 -2.504 13.742 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.983 -1.993 14.717 1.00 0.00 H new ATOM 732 N PHE A 47 7.929 -1.303 11.755 1.00 0.00 N ATOM 733 CA PHE A 47 6.496 -1.055 11.568 1.00 0.00 C ATOM 734 C PHE A 47 5.753 -2.371 11.550 1.00 0.00 C ATOM 735 O PHE A 47 6.394 -3.401 11.412 1.00 0.00 O ATOM 736 CB PHE A 47 6.184 -0.342 10.222 1.00 0.00 C ATOM 737 CG PHE A 47 6.370 1.183 10.279 1.00 0.00 C ATOM 738 CD1 PHE A 47 7.610 1.742 10.609 1.00 0.00 C ATOM 739 CD2 PHE A 47 5.303 2.041 9.979 1.00 0.00 C ATOM 740 CE1 PHE A 47 7.750 3.125 10.750 1.00 0.00 C ATOM 741 CE2 PHE A 47 5.499 3.422 9.927 1.00 0.00 C ATOM 742 CZ PHE A 47 6.698 3.968 10.386 1.00 0.00 C ATOM 0 H PHE A 47 8.307 -2.037 11.156 1.00 0.00 H new ATOM 0 HA PHE A 47 6.182 -0.416 12.393 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.831 -0.750 9.445 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.157 -0.564 9.932 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.465 1.099 10.756 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.323 1.631 9.787 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.668 3.540 11.139 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.726 4.065 9.533 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.812 5.039 10.460 1.00 0.00 H new ATOM 752 N THR A 48 4.402 -2.330 11.678 1.00 0.00 N ATOM 753 CA THR A 48 3.599 -3.549 11.629 1.00 0.00 C ATOM 754 C THR A 48 2.440 -3.250 10.701 1.00 0.00 C ATOM 755 O THR A 48 1.308 -3.137 11.145 1.00 0.00 O ATOM 756 CB THR A 48 3.182 -3.941 13.081 1.00 0.00 C ATOM 757 OG1 THR A 48 2.030 -3.218 13.538 1.00 0.00 O ATOM 758 CG2 THR A 48 4.300 -3.625 14.107 1.00 0.00 C ATOM 0 H THR A 48 3.865 -1.473 11.813 1.00 0.00 H new ATOM 0 HA THR A 48 4.134 -4.415 11.240 1.00 0.00 H new ATOM 0 HB THR A 48 2.975 -5.010 13.025 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.459 -2.996 12.773 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.970 -3.913 15.105 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.200 -4.183 13.848 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.518 -2.557 14.091 1.00 0.00 H new ATOM 766 N TRP A 49 2.703 -3.088 9.385 1.00 0.00 N ATOM 767 CA TRP A 49 1.625 -2.696 8.481 1.00 0.00 C ATOM 768 C TRP A 49 0.774 -3.906 8.229 1.00 0.00 C ATOM 769 O TRP A 49 1.296 -4.994 8.402 1.00 0.00 O ATOM 770 CB TRP A 49 2.171 -2.264 7.099 1.00 0.00 C ATOM 771 CG TRP A 49 1.358 -1.229 6.379 1.00 0.00 C ATOM 772 CD1 TRP A 49 0.303 -1.380 5.560 1.00 0.00 C ATOM 773 CD2 TRP A 49 1.665 0.241 6.449 1.00 0.00 C ATOM 774 NE1 TRP A 49 -0.015 -0.211 5.061 1.00 0.00 N ATOM 775 CE2 TRP A 49 0.798 0.764 5.514 1.00 0.00 C ATOM 776 CE3 TRP A 49 2.545 1.025 7.192 1.00 0.00 C ATOM 777 CZ2 TRP A 49 0.865 2.109 5.157 1.00 0.00 C ATOM 778 CZ3 TRP A 49 2.547 2.396 6.913 1.00 0.00 C ATOM 779 CH2 TRP A 49 1.752 2.917 5.881 1.00 0.00 C ATOM 0 H TRP A 49 3.616 -3.218 8.949 1.00 0.00 H new ATOM 0 HA TRP A 49 1.081 -1.870 8.940 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.182 -1.879 7.231 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.246 -3.147 6.465 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.200 -2.312 5.348 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.784 -0.057 4.409 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.192 0.597 7.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.260 2.511 4.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.167 3.060 7.498 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.825 3.967 5.639 1.00 0.00 H new ATOM 790 N SER A 50 -0.488 -3.748 7.777 1.00 0.00 N ATOM 791 CA SER A 50 -1.224 -4.911 7.292 1.00 0.00 C ATOM 792 C SER A 50 -2.293 -4.506 6.309 1.00 0.00 C ATOM 793 O SER A 50 -2.740 -3.372 6.386 1.00 0.00 O ATOM 794 CB SER A 50 -1.867 -5.747 8.421 1.00 0.00 C ATOM 795 OG SER A 50 -0.918 -6.001 9.468 1.00 0.00 O ATOM 0 H SER A 50 -0.993 -2.862 7.741 1.00 0.00 H new ATOM 0 HA SER A 50 -0.481 -5.539 6.800 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.730 -5.218 8.826 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.233 -6.691 8.018 1.00 0.00 H new ATOM 0 HG SER A 50 -0.016 -5.790 9.150 1.00 0.00 H new ATOM 801 N GLN A 51 -2.706 -5.425 5.403 1.00 0.00 N ATOM 802 CA GLN A 51 -3.809 -5.144 4.487 1.00 0.00 C ATOM 803 C GLN A 51 -4.791 -6.279 4.630 1.00 0.00 C ATOM 804 O GLN A 51 -4.303 -7.380 4.829 1.00 0.00 O ATOM 805 CB GLN A 51 -3.333 -5.022 3.018 1.00 0.00 C ATOM 806 CG GLN A 51 -1.999 -4.232 2.924 1.00 0.00 C ATOM 807 CD GLN A 51 -1.774 -3.673 1.536 1.00 0.00 C ATOM 808 OE1 GLN A 51 -1.881 -4.482 0.458 1.00 0.00 O flip ATOM 809 NE2 GLN A 51 -1.500 -2.488 1.419 1.00 0.00 N flip ATOM 0 H GLN A 51 -2.291 -6.351 5.297 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.264 -4.186 4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.201 -6.017 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.098 -4.521 2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.008 -3.417 3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.169 -4.886 3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.425 -1.898 2.247 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.346 -2.089 0.493 1.00 0.00 H new ATOM 818 N HIS A 52 -6.129 -6.073 4.542 1.00 0.00 N ATOM 819 CA HIS A 52 -7.056 -7.189 4.735 1.00 0.00 C ATOM 820 C HIS A 52 -8.122 -7.124 3.674 1.00 0.00 C ATOM 821 O HIS A 52 -8.551 -6.021 3.374 1.00 0.00 O ATOM 822 CB HIS A 52 -7.682 -7.287 6.154 1.00 0.00 C ATOM 823 CG HIS A 52 -6.727 -6.806 7.215 1.00 0.00 C ATOM 824 ND1 HIS A 52 -6.240 -7.576 8.160 1.00 0.00 N ATOM 825 CD2 HIS A 52 -6.249 -5.553 7.349 1.00 0.00 C ATOM 826 CE1 HIS A 52 -5.424 -6.897 8.899 1.00 0.00 C ATOM 827 NE2 HIS A 52 -5.384 -5.712 8.487 1.00 0.00 N ATOM 0 H HIS A 52 -6.568 -5.173 4.345 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.469 -8.102 4.641 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.596 -6.695 6.191 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.963 -8.320 6.358 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.470 -8.561 8.292 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.458 -4.671 6.762 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.866 -7.287 9.737 1.00 0.00 H new ATOM 835 N TYR A 53 -8.546 -8.269 3.088 1.00 0.00 N ATOM 836 CA TYR A 53 -9.501 -8.191 1.989 1.00 0.00 C ATOM 837 C TYR A 53 -10.242 -9.495 1.799 1.00 0.00 C ATOM 838 O TYR A 53 -10.099 -10.110 0.756 1.00 0.00 O ATOM 839 CB TYR A 53 -8.795 -7.639 0.721 1.00 0.00 C ATOM 840 CG TYR A 53 -7.416 -8.226 0.389 1.00 0.00 C ATOM 841 CD1 TYR A 53 -6.252 -7.625 0.884 1.00 0.00 C ATOM 842 CD2 TYR A 53 -7.303 -9.334 -0.457 1.00 0.00 C ATOM 843 CE1 TYR A 53 -4.998 -8.016 0.405 1.00 0.00 C ATOM 844 CE2 TYR A 53 -6.049 -9.745 -0.914 1.00 0.00 C ATOM 845 CZ TYR A 53 -4.898 -9.056 -0.526 1.00 0.00 C ATOM 846 OH TYR A 53 -3.666 -9.424 -1.077 1.00 0.00 O ATOM 0 H TYR A 53 -8.251 -9.209 3.351 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.289 -7.478 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.451 -7.806 -0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.687 -6.560 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.323 -6.856 1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.189 -9.874 -0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.107 -7.515 0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.969 -10.599 -1.570 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.212 -10.049 -0.474 1.00 0.00 H new ATOM 856 N SER A 54 -11.048 -9.877 2.821 1.00 0.00 N ATOM 857 CA SER A 54 -11.932 -11.046 2.768 1.00 0.00 C ATOM 858 C SER A 54 -11.841 -11.728 4.115 1.00 0.00 C ATOM 859 O SER A 54 -10.774 -11.674 4.705 1.00 0.00 O ATOM 860 CB SER A 54 -11.684 -12.115 1.668 1.00 0.00 C ATOM 861 OG SER A 54 -12.491 -13.288 1.867 1.00 0.00 O ATOM 0 H SER A 54 -11.096 -9.373 3.706 1.00 0.00 H new ATOM 0 HA SER A 54 -12.910 -10.640 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.902 -11.686 0.690 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.631 -12.395 1.666 1.00 0.00 H new ATOM 0 HG SER A 54 -12.308 -13.936 1.155 1.00 0.00 H new ATOM 867 N GLY A 55 -12.928 -12.363 4.617 1.00 0.00 N ATOM 868 CA GLY A 55 -12.844 -13.056 5.900 1.00 0.00 C ATOM 869 C GLY A 55 -11.901 -14.224 5.741 1.00 0.00 C ATOM 870 O GLY A 55 -12.363 -15.317 5.454 1.00 0.00 O ATOM 0 H GLY A 55 -13.840 -12.403 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.485 -12.379 6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.830 -13.402 6.211 1.00 0.00 H new ATOM 874 N GLY A 56 -10.576 -13.997 5.901 1.00 0.00 N ATOM 875 CA GLY A 56 -9.602 -15.063 5.691 1.00 0.00 C ATOM 876 C GLY A 56 -8.348 -14.474 5.094 1.00 0.00 C ATOM 877 O GLY A 56 -7.276 -14.670 5.647 1.00 0.00 O ATOM 0 H GLY A 56 -10.175 -13.099 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.373 -15.555 6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.014 -15.823 5.027 1.00 0.00 H new ATOM 881 N HIS A 57 -8.466 -13.746 3.959 1.00 0.00 N ATOM 882 CA HIS A 57 -7.273 -13.162 3.359 1.00 0.00 C ATOM 883 C HIS A 57 -6.737 -12.077 4.263 1.00 0.00 C ATOM 884 O HIS A 57 -7.523 -11.249 4.696 1.00 0.00 O ATOM 885 CB HIS A 57 -7.479 -12.501 1.971 1.00 0.00 C ATOM 886 CG HIS A 57 -6.111 -12.043 1.529 1.00 0.00 C ATOM 887 ND1 HIS A 57 -5.277 -12.782 0.833 1.00 0.00 N ATOM 888 CD2 HIS A 57 -5.551 -10.851 1.810 1.00 0.00 C ATOM 889 CE1 HIS A 57 -4.174 -12.130 0.645 1.00 0.00 C ATOM 890 NE2 HIS A 57 -4.261 -11.006 1.194 1.00 0.00 N ATOM 0 H HIS A 57 -9.341 -13.561 3.468 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.596 -14.006 3.228 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.904 -13.209 1.259 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.171 -11.661 2.036 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.469 -13.724 0.493 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.959 -10.009 2.350 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.315 -12.496 0.102 1.00 0.00 H new ATOM 898 N THR A 58 -5.406 -12.045 4.507 1.00 0.00 N ATOM 899 CA THR A 58 -4.797 -10.873 5.128 1.00 0.00 C ATOM 900 C THR A 58 -3.370 -10.782 4.636 1.00 0.00 C ATOM 901 O THR A 58 -2.562 -11.581 5.084 1.00 0.00 O ATOM 902 CB THR A 58 -4.841 -10.920 6.679 1.00 0.00 C ATOM 903 OG1 THR A 58 -6.219 -10.897 7.090 1.00 0.00 O ATOM 904 CG2 THR A 58 -4.049 -9.729 7.283 1.00 0.00 C ATOM 0 H THR A 58 -4.758 -12.801 4.286 1.00 0.00 H new ATOM 0 HA THR A 58 -5.367 -9.988 4.844 1.00 0.00 H new ATOM 0 HB THR A 58 -4.370 -11.833 7.043 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.796 -10.870 6.298 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.091 -9.779 8.371 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.010 -9.780 6.957 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.489 -8.791 6.945 1.00 0.00 H new ATOM 912 N MET A 59 -3.029 -9.836 3.730 1.00 0.00 N ATOM 913 CA MET A 59 -1.633 -9.689 3.323 1.00 0.00 C ATOM 914 C MET A 59 -0.973 -8.873 4.404 1.00 0.00 C ATOM 915 O MET A 59 -1.704 -8.146 5.058 1.00 0.00 O ATOM 916 CB MET A 59 -1.543 -8.928 1.974 1.00 0.00 C ATOM 917 CG MET A 59 -0.184 -9.121 1.262 1.00 0.00 C ATOM 918 SD MET A 59 -0.087 -8.024 -0.186 1.00 0.00 S ATOM 919 CE MET A 59 0.629 -6.542 0.588 1.00 0.00 C ATOM 0 H MET A 59 -3.682 -9.190 3.287 1.00 0.00 H new ATOM 0 HA MET A 59 -1.155 -10.660 3.191 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.343 -9.269 1.317 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.707 -7.865 2.151 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.632 -8.903 1.951 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.070 -10.160 0.951 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.374 -5.663 -0.004 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.230 -6.429 1.596 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.713 -6.644 0.636 1.00 0.00 H new ATOM 929 N THR A 60 0.363 -8.948 4.624 1.00 0.00 N ATOM 930 CA THR A 60 0.972 -8.097 5.643 1.00 0.00 C ATOM 931 C THR A 60 2.326 -7.574 5.224 1.00 0.00 C ATOM 932 O THR A 60 3.032 -8.297 4.540 1.00 0.00 O ATOM 933 CB THR A 60 1.061 -8.923 6.948 1.00 0.00 C ATOM 934 OG1 THR A 60 -0.223 -9.458 7.303 1.00 0.00 O ATOM 935 CG2 THR A 60 1.683 -8.173 8.152 1.00 0.00 C ATOM 0 H THR A 60 1.005 -9.565 4.127 1.00 0.00 H new ATOM 0 HA THR A 60 0.355 -7.211 5.794 1.00 0.00 H new ATOM 0 HB THR A 60 1.753 -9.734 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.144 -9.978 8.130 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.703 -8.832 9.020 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.700 -7.868 7.905 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.085 -7.291 8.380 1.00 0.00 H new ATOM 943 N ASN A 61 2.688 -6.330 5.632 1.00 0.00 N ATOM 944 CA ASN A 61 3.953 -5.723 5.226 1.00 0.00 C ATOM 945 C ASN A 61 4.619 -5.137 6.453 1.00 0.00 C ATOM 946 O ASN A 61 4.673 -3.926 6.598 1.00 0.00 O ATOM 947 CB ASN A 61 3.696 -4.667 4.113 1.00 0.00 C ATOM 948 CG ASN A 61 3.471 -5.277 2.751 1.00 0.00 C ATOM 949 OD1 ASN A 61 3.284 -6.478 2.657 1.00 0.00 O ATOM 950 ND2 ASN A 61 3.494 -4.469 1.667 1.00 0.00 N ATOM 0 H ASN A 61 2.116 -5.742 6.238 1.00 0.00 H new ATOM 0 HA ASN A 61 4.628 -6.465 4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.826 -4.069 4.384 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.547 -3.988 4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.352 -4.861 0.736 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.653 -3.468 1.780 1.00 0.00 H new ATOM 957 N LYS A 62 5.163 -5.987 7.354 1.00 0.00 N ATOM 958 CA LYS A 62 6.015 -5.443 8.410 1.00 0.00 C ATOM 959 C LYS A 62 7.249 -4.904 7.728 1.00 0.00 C ATOM 960 O LYS A 62 7.635 -5.466 6.714 1.00 0.00 O ATOM 961 CB LYS A 62 6.408 -6.445 9.530 1.00 0.00 C ATOM 962 CG LYS A 62 7.371 -7.566 9.050 1.00 0.00 C ATOM 963 CD LYS A 62 7.689 -8.564 10.198 1.00 0.00 C ATOM 964 CE LYS A 62 8.664 -9.678 9.730 1.00 0.00 C ATOM 965 NZ LYS A 62 8.964 -10.630 10.823 1.00 0.00 N ATOM 0 H LYS A 62 5.032 -6.998 7.367 1.00 0.00 H new ATOM 0 HA LYS A 62 5.448 -4.676 8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.879 -5.898 10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.503 -6.902 9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.922 -8.101 8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.297 -7.122 8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.127 -8.026 11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.764 -9.016 10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.227 -10.215 8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.590 -9.227 9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.618 -11.361 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.403 -10.121 11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.082 -11.078 11.145 1.00 0.00 H new ATOM 979 N PHE A 63 7.880 -3.832 8.255 1.00 0.00 N ATOM 980 CA PHE A 63 9.097 -3.324 7.624 1.00 0.00 C ATOM 981 C PHE A 63 9.864 -2.440 8.570 1.00 0.00 C ATOM 982 O PHE A 63 9.315 -2.085 9.600 1.00 0.00 O ATOM 983 CB PHE A 63 8.792 -2.577 6.297 1.00 0.00 C ATOM 984 CG PHE A 63 7.835 -1.388 6.482 1.00 0.00 C ATOM 985 CD1 PHE A 63 8.243 -0.228 7.149 1.00 0.00 C ATOM 986 CD2 PHE A 63 6.535 -1.454 5.964 1.00 0.00 C ATOM 987 CE1 PHE A 63 7.329 0.804 7.384 1.00 0.00 C ATOM 988 CE2 PHE A 63 5.625 -0.418 6.186 1.00 0.00 C ATOM 989 CZ PHE A 63 6.009 0.688 6.947 1.00 0.00 C ATOM 0 H PHE A 63 7.574 -3.324 9.085 1.00 0.00 H new ATOM 0 HA PHE A 63 9.718 -4.186 7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.727 -2.220 5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.358 -3.278 5.584 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.265 -0.129 7.483 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.233 -2.315 5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.646 1.695 7.906 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.629 -0.472 5.771 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.287 1.451 7.197 1.00 0.00 H new ATOM 999 N THR A 64 11.124 -2.082 8.227 1.00 0.00 N ATOM 1000 CA THR A 64 11.923 -1.218 9.088 1.00 0.00 C ATOM 1001 C THR A 64 12.470 -0.110 8.220 1.00 0.00 C ATOM 1002 O THR A 64 13.011 -0.421 7.170 1.00 0.00 O ATOM 1003 CB THR A 64 12.971 -2.073 9.840 1.00 0.00 C ATOM 1004 OG1 THR A 64 12.336 -3.043 10.693 1.00 0.00 O ATOM 1005 CG2 THR A 64 13.875 -1.192 10.733 1.00 0.00 C ATOM 0 H THR A 64 11.592 -2.380 7.371 1.00 0.00 H new ATOM 0 HA THR A 64 11.349 -0.738 9.881 1.00 0.00 H new ATOM 0 HB THR A 64 13.567 -2.573 9.076 1.00 0.00 H new ATOM 0 HG1 THR A 64 13.021 -3.570 11.155 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.601 -1.821 11.248 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.400 -0.464 10.114 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.262 -0.669 11.467 1.00 0.00 H new ATOM 1013 N VAL A 65 12.302 1.176 8.617 1.00 0.00 N ATOM 1014 CA VAL A 65 12.584 2.278 7.712 1.00 0.00 C ATOM 1015 C VAL A 65 14.047 2.609 7.853 1.00 0.00 C ATOM 1016 O VAL A 65 14.565 2.533 8.955 1.00 0.00 O ATOM 1017 CB VAL A 65 11.641 3.501 7.935 1.00 0.00 C ATOM 1018 CG1 VAL A 65 10.217 3.069 8.353 1.00 0.00 C ATOM 1019 CG2 VAL A 65 12.184 4.563 8.918 1.00 0.00 C ATOM 0 H VAL A 65 11.978 1.455 9.543 1.00 0.00 H new ATOM 0 HA VAL A 65 12.377 1.984 6.683 1.00 0.00 H new ATOM 0 HB VAL A 65 11.597 3.982 6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.596 3.953 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.783 2.444 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.267 2.505 9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.463 5.375 9.011 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.344 4.106 9.895 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.128 4.957 8.542 1.00 0.00 H new ATOM 1029 N GLY A 66 14.749 2.954 6.755 1.00 0.00 N ATOM 1030 CA GLY A 66 16.185 3.163 6.856 1.00 0.00 C ATOM 1031 C GLY A 66 16.887 1.846 7.081 1.00 0.00 C ATOM 1032 O GLY A 66 18.034 1.899 7.497 1.00 0.00 O ATOM 0 H GLY A 66 14.352 3.087 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.557 3.631 5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.404 3.846 7.677 1.00 0.00 H new ATOM 1036 N LYS A 67 16.252 0.674 6.807 1.00 0.00 N ATOM 1037 CA LYS A 67 16.961 -0.598 6.933 1.00 0.00 C ATOM 1038 C LYS A 67 16.614 -1.487 5.752 1.00 0.00 C ATOM 1039 O LYS A 67 17.494 -1.651 4.923 1.00 0.00 O ATOM 1040 CB LYS A 67 16.706 -1.243 8.327 1.00 0.00 C ATOM 1041 CG LYS A 67 17.845 -2.230 8.714 1.00 0.00 C ATOM 1042 CD LYS A 67 17.616 -2.942 10.078 1.00 0.00 C ATOM 1043 CE LYS A 67 16.591 -4.108 9.999 1.00 0.00 C ATOM 1044 NZ LYS A 67 16.403 -4.752 11.320 1.00 0.00 N ATOM 0 H LYS A 67 15.280 0.598 6.507 1.00 0.00 H new ATOM 0 HA LYS A 67 18.039 -0.439 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.628 -0.461 9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.753 -1.772 8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 67 17.943 -2.983 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.789 -1.686 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.568 -3.328 10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.268 -2.211 10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.635 -3.730 9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.935 -4.849 9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.713 -5.526 11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.312 -5.133 11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.052 -4.050 12.002 1.00 0.00 H new ATOM 1058 N GLU A 68 15.368 -2.025 5.666 1.00 0.00 N ATOM 1059 CA GLU A 68 14.897 -2.858 4.552 1.00 0.00 C ATOM 1060 C GLU A 68 14.284 -4.125 5.101 1.00 0.00 C ATOM 1061 O GLU A 68 14.628 -4.509 6.208 1.00 0.00 O ATOM 1062 CB GLU A 68 15.878 -3.265 3.413 1.00 0.00 C ATOM 1063 CG GLU A 68 16.904 -4.335 3.881 1.00 0.00 C ATOM 1064 CD GLU A 68 17.986 -4.538 2.850 1.00 0.00 C ATOM 1065 OE1 GLU A 68 17.676 -4.477 1.629 1.00 0.00 O ATOM 1066 OE2 GLU A 68 19.160 -4.762 3.251 1.00 0.00 O ATOM 0 H GLU A 68 14.659 -1.883 6.386 1.00 0.00 H new ATOM 0 HA GLU A 68 14.203 -2.180 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.310 -3.653 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.411 -2.382 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.351 -4.026 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.391 -5.279 4.065 1.00 0.00 H new ATOM 1073 N SER A 69 13.386 -4.789 4.334 1.00 0.00 N ATOM 1074 CA SER A 69 12.811 -6.058 4.780 1.00 0.00 C ATOM 1075 C SER A 69 12.247 -6.800 3.589 1.00 0.00 C ATOM 1076 O SER A 69 11.967 -6.146 2.597 1.00 0.00 O ATOM 1077 CB SER A 69 11.666 -5.821 5.801 1.00 0.00 C ATOM 1078 OG SER A 69 12.157 -5.445 7.098 1.00 0.00 O ATOM 0 H SER A 69 13.057 -4.467 3.424 1.00 0.00 H new ATOM 0 HA SER A 69 13.599 -6.640 5.258 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.004 -5.040 5.426 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.069 -6.729 5.891 1.00 0.00 H new ATOM 0 HG SER A 69 13.072 -5.104 7.015 1.00 0.00 H new ATOM 1084 N ASN A 70 12.070 -8.143 3.675 1.00 0.00 N ATOM 1085 CA ASN A 70 11.470 -8.879 2.565 1.00 0.00 C ATOM 1086 C ASN A 70 10.007 -8.488 2.487 1.00 0.00 C ATOM 1087 O ASN A 70 9.175 -9.210 3.014 1.00 0.00 O ATOM 1088 CB ASN A 70 11.619 -10.413 2.702 1.00 0.00 C ATOM 1089 CG ASN A 70 13.067 -10.839 2.641 1.00 0.00 C ATOM 1090 OD1 ASN A 70 13.669 -11.042 3.684 1.00 0.00 O ATOM 1091 ND2 ASN A 70 13.654 -10.979 1.431 1.00 0.00 N ATOM 0 H ASN A 70 12.329 -8.712 4.481 1.00 0.00 H new ATOM 0 HA ASN A 70 11.997 -8.615 1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.183 -10.739 3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.060 -10.906 1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.632 -11.263 1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.119 -10.801 0.581 1.00 0.00 H new ATOM 1098 N ILE A 71 9.666 -7.345 1.848 1.00 0.00 N ATOM 1099 CA ILE A 71 8.273 -6.892 1.828 1.00 0.00 C ATOM 1100 C ILE A 71 7.517 -7.637 0.757 1.00 0.00 C ATOM 1101 O ILE A 71 8.049 -7.737 -0.337 1.00 0.00 O ATOM 1102 CB ILE A 71 8.166 -5.353 1.604 1.00 0.00 C ATOM 1103 CG1 ILE A 71 8.778 -4.634 2.837 1.00 0.00 C ATOM 1104 CG2 ILE A 71 6.696 -4.909 1.374 1.00 0.00 C ATOM 1105 CD1 ILE A 71 8.781 -3.094 2.702 1.00 0.00 C ATOM 0 H ILE A 71 10.323 -6.740 1.355 1.00 0.00 H new ATOM 0 HA ILE A 71 7.832 -7.105 2.802 1.00 0.00 H new ATOM 0 HB ILE A 71 8.718 -5.081 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.217 -4.913 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.801 -4.982 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.661 -3.830 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.297 -5.413 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.096 -5.172 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.221 -2.651 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.366 -2.806 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.758 -2.737 2.587 1.00 0.00 H new ATOM 1117 N GLN A 72 6.288 -8.138 1.048 1.00 0.00 N ATOM 1118 CA GLN A 72 5.491 -8.807 0.021 1.00 0.00 C ATOM 1119 C GLN A 72 4.632 -7.753 -0.631 1.00 0.00 C ATOM 1120 O GLN A 72 4.325 -6.771 0.026 1.00 0.00 O ATOM 1121 CB GLN A 72 4.681 -10.028 0.537 1.00 0.00 C ATOM 1122 CG GLN A 72 3.396 -9.619 1.300 1.00 0.00 C ATOM 1123 CD GLN A 72 2.699 -10.818 1.899 1.00 0.00 C ATOM 1124 OE1 GLN A 72 2.684 -10.951 3.114 1.00 0.00 O ATOM 1125 NE2 GLN A 72 2.107 -11.710 1.074 1.00 0.00 N ATOM 0 H GLN A 72 5.848 -8.087 1.967 1.00 0.00 H new ATOM 0 HA GLN A 72 6.157 -9.259 -0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.410 -10.661 -0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.313 -10.626 1.194 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.651 -8.913 2.091 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.717 -9.105 0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.138 -11.569 0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.629 -12.524 1.461 1.00 0.00 H new ATOM 1134 N THR A 73 4.261 -7.923 -1.919 1.00 0.00 N ATOM 1135 CA THR A 73 3.695 -6.814 -2.683 1.00 0.00 C ATOM 1136 C THR A 73 2.430 -7.212 -3.402 1.00 0.00 C ATOM 1137 O THR A 73 2.070 -8.378 -3.369 1.00 0.00 O ATOM 1138 CB THR A 73 4.799 -6.365 -3.673 1.00 0.00 C ATOM 1139 OG1 THR A 73 5.413 -7.518 -4.269 1.00 0.00 O ATOM 1140 CG2 THR A 73 5.885 -5.550 -2.929 1.00 0.00 C ATOM 0 H THR A 73 4.344 -8.800 -2.433 1.00 0.00 H new ATOM 0 HA THR A 73 3.404 -5.997 -2.023 1.00 0.00 H new ATOM 0 HB THR A 73 4.343 -5.745 -4.444 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.351 -7.321 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.655 -5.240 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.432 -4.668 -2.476 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.334 -6.167 -2.151 1.00 0.00 H new ATOM 1148 N MET A 74 1.764 -6.233 -4.061 1.00 0.00 N ATOM 1149 CA MET A 74 0.566 -6.522 -4.850 1.00 0.00 C ATOM 1150 C MET A 74 0.982 -6.662 -6.299 1.00 0.00 C ATOM 1151 O MET A 74 0.319 -6.092 -7.149 1.00 0.00 O ATOM 1152 CB MET A 74 -0.455 -5.355 -4.691 1.00 0.00 C ATOM 1153 CG MET A 74 -0.843 -5.088 -3.213 1.00 0.00 C ATOM 1154 SD MET A 74 -1.718 -6.520 -2.499 1.00 0.00 S ATOM 1155 CE MET A 74 -3.437 -6.238 -3.025 1.00 0.00 C ATOM 0 H MET A 74 2.040 -5.251 -4.056 1.00 0.00 H new ATOM 0 HA MET A 74 0.093 -7.443 -4.509 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.031 -4.447 -5.119 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.355 -5.586 -5.261 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.054 -4.877 -2.630 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.477 -4.203 -3.154 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.069 -7.044 -2.651 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.788 -5.287 -2.625 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.485 -6.214 -4.114 1.00 0.00 H new ATOM 1165 N GLY A 75 2.080 -7.397 -6.602 1.00 0.00 N ATOM 1166 CA GLY A 75 2.649 -7.369 -7.947 1.00 0.00 C ATOM 1167 C GLY A 75 3.159 -8.728 -8.360 1.00 0.00 C ATOM 1168 O GLY A 75 2.488 -9.708 -8.080 1.00 0.00 O ATOM 0 H GLY A 75 2.571 -8.000 -5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.893 -7.032 -8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.465 -6.647 -7.983 1.00 0.00 H new ATOM 1172 N GLY A 76 4.323 -8.809 -9.048 1.00 0.00 N ATOM 1173 CA GLY A 76 4.781 -10.096 -9.560 1.00 0.00 C ATOM 1174 C GLY A 76 5.268 -10.990 -8.449 1.00 0.00 C ATOM 1175 O GLY A 76 5.003 -12.181 -8.499 1.00 0.00 O ATOM 0 H GLY A 76 4.936 -8.019 -9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.967 -10.587 -10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.584 -9.938 -10.280 1.00 0.00 H new ATOM 1179 N LYS A 77 6.005 -10.440 -7.456 1.00 0.00 N ATOM 1180 CA LYS A 77 6.633 -11.298 -6.452 1.00 0.00 C ATOM 1181 C LYS A 77 7.054 -10.514 -5.234 1.00 0.00 C ATOM 1182 O LYS A 77 7.024 -9.298 -5.304 1.00 0.00 O ATOM 1183 CB LYS A 77 7.884 -11.960 -7.092 1.00 0.00 C ATOM 1184 CG LYS A 77 8.928 -10.925 -7.584 1.00 0.00 C ATOM 1185 CD LYS A 77 10.237 -11.571 -8.123 1.00 0.00 C ATOM 1186 CE LYS A 77 10.046 -12.521 -9.340 1.00 0.00 C ATOM 1187 NZ LYS A 77 9.363 -11.877 -10.486 1.00 0.00 N ATOM 0 H LYS A 77 6.170 -9.440 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 77 5.911 -12.048 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.352 -12.622 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.571 -12.581 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.482 -10.317 -8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.176 -10.252 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.927 -10.776 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.709 -12.130 -7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.021 -12.884 -9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.470 -13.391 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.267 -12.562 -11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.420 -11.554 -10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.922 -11.062 -10.810 1.00 0.00 H new ATOM 1201 N THR A 78 7.462 -11.171 -4.124 1.00 0.00 N ATOM 1202 CA THR A 78 7.975 -10.413 -2.983 1.00 0.00 C ATOM 1203 C THR A 78 9.313 -9.808 -3.326 1.00 0.00 C ATOM 1204 O THR A 78 9.913 -10.217 -4.306 1.00 0.00 O ATOM 1205 CB THR A 78 8.126 -11.254 -1.681 1.00 0.00 C ATOM 1206 OG1 THR A 78 8.423 -10.358 -0.593 1.00 0.00 O ATOM 1207 CG2 THR A 78 9.264 -12.309 -1.776 1.00 0.00 C ATOM 0 H THR A 78 7.445 -12.184 -4.004 1.00 0.00 H new ATOM 0 HA THR A 78 7.231 -9.642 -2.782 1.00 0.00 H new ATOM 0 HB THR A 78 7.191 -11.791 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.139 -9.450 -0.830 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.323 -12.865 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.055 -12.997 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.213 -11.805 -1.959 1.00 0.00 H new ATOM 1215 N PHE A 79 9.798 -8.846 -2.508 1.00 0.00 N ATOM 1216 CA PHE A 79 11.126 -8.281 -2.736 1.00 0.00 C ATOM 1217 C PHE A 79 11.713 -7.825 -1.426 1.00 0.00 C ATOM 1218 O PHE A 79 10.969 -7.764 -0.461 1.00 0.00 O ATOM 1219 CB PHE A 79 11.092 -7.040 -3.659 1.00 0.00 C ATOM 1220 CG PHE A 79 10.141 -7.241 -4.842 1.00 0.00 C ATOM 1221 CD1 PHE A 79 8.790 -6.908 -4.721 1.00 0.00 C ATOM 1222 CD2 PHE A 79 10.618 -7.743 -6.057 1.00 0.00 C ATOM 1223 CE1 PHE A 79 7.973 -6.868 -5.854 1.00 0.00 C ATOM 1224 CE2 PHE A 79 9.768 -7.821 -7.163 1.00 0.00 C ATOM 1225 CZ PHE A 79 8.442 -7.391 -7.060 1.00 0.00 C ATOM 0 H PHE A 79 9.297 -8.460 -1.708 1.00 0.00 H new ATOM 0 HA PHE A 79 11.718 -9.067 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.780 -6.168 -3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 79 12.096 -6.835 -4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 79 8.376 -6.681 -3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.644 -8.070 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.985 -6.435 -5.797 1.00 0.00 H new ATOM 0 HE2 PHE A 79 10.136 -8.214 -8.099 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.782 -7.463 -7.912 1.00 0.00 H new ATOM 1235 N LYS A 80 13.019 -7.476 -1.401 1.00 0.00 N ATOM 1236 CA LYS A 80 13.617 -6.893 -0.205 1.00 0.00 C ATOM 1237 C LYS A 80 13.732 -5.412 -0.479 1.00 0.00 C ATOM 1238 O LYS A 80 14.810 -4.930 -0.787 1.00 0.00 O ATOM 1239 CB LYS A 80 14.923 -7.635 0.173 1.00 0.00 C ATOM 1240 CG LYS A 80 15.454 -7.196 1.567 1.00 0.00 C ATOM 1241 CD LYS A 80 16.914 -7.668 1.837 1.00 0.00 C ATOM 1242 CE LYS A 80 17.099 -9.207 1.958 1.00 0.00 C ATOM 1243 NZ LYS A 80 16.497 -9.769 3.191 1.00 0.00 N ATOM 0 H LYS A 80 13.660 -7.590 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 80 13.012 -7.014 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.743 -8.710 0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.683 -7.441 -0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.409 -6.109 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.799 -7.596 2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.552 -7.303 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.265 -7.202 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.652 -9.690 1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.163 -9.442 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.149 -10.461 3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.320 -9.003 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.599 -10.238 2.956 1.00 0.00 H new ATOM 1257 N ALA A 81 12.591 -4.688 -0.383 1.00 0.00 N ATOM 1258 CA ALA A 81 12.580 -3.267 -0.733 1.00 0.00 C ATOM 1259 C ALA A 81 13.108 -2.463 0.427 1.00 0.00 C ATOM 1260 O ALA A 81 13.098 -2.991 1.527 1.00 0.00 O ATOM 1261 CB ALA A 81 11.145 -2.793 -1.044 1.00 0.00 C ATOM 0 H ALA A 81 11.694 -5.062 -0.074 1.00 0.00 H new ATOM 0 HA ALA A 81 13.205 -3.125 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.159 -1.734 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.746 -3.365 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.514 -2.945 -0.168 1.00 0.00 H new ATOM 1267 N THR A 82 13.556 -1.203 0.201 1.00 0.00 N ATOM 1268 CA THR A 82 14.107 -0.402 1.294 1.00 0.00 C ATOM 1269 C THR A 82 13.134 0.693 1.660 1.00 0.00 C ATOM 1270 O THR A 82 13.034 1.647 0.904 1.00 0.00 O ATOM 1271 CB THR A 82 15.504 0.153 0.909 1.00 0.00 C ATOM 1272 OG1 THR A 82 16.331 -0.972 0.562 1.00 0.00 O ATOM 1273 CG2 THR A 82 16.136 0.947 2.087 1.00 0.00 C ATOM 0 H THR A 82 13.543 -0.739 -0.707 1.00 0.00 H new ATOM 0 HA THR A 82 14.248 -1.028 2.175 1.00 0.00 H new ATOM 0 HB THR A 82 15.415 0.843 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.224 -0.656 0.311 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.114 1.324 1.788 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.489 1.784 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.248 0.290 2.950 1.00 0.00 H new ATOM 1281 N VAL A 83 12.419 0.582 2.808 1.00 0.00 N ATOM 1282 CA VAL A 83 11.512 1.653 3.214 1.00 0.00 C ATOM 1283 C VAL A 83 12.348 2.739 3.844 1.00 0.00 C ATOM 1284 O VAL A 83 13.359 2.413 4.442 1.00 0.00 O ATOM 1285 CB VAL A 83 10.398 1.173 4.190 1.00 0.00 C ATOM 1286 CG1 VAL A 83 9.483 2.328 4.687 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.515 0.108 3.490 1.00 0.00 C ATOM 0 H VAL A 83 12.458 -0.216 3.442 1.00 0.00 H new ATOM 0 HA VAL A 83 10.985 2.022 2.334 1.00 0.00 H new ATOM 0 HB VAL A 83 10.905 0.756 5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.728 1.928 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.085 3.069 5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.994 2.798 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.736 -0.226 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.055 0.543 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.132 -0.742 3.199 1.00 0.00 H new ATOM 1297 N GLN A 84 11.934 4.020 3.717 1.00 0.00 N ATOM 1298 CA GLN A 84 12.590 5.126 4.411 1.00 0.00 C ATOM 1299 C GLN A 84 11.488 6.077 4.817 1.00 0.00 C ATOM 1300 O GLN A 84 10.332 5.734 4.624 1.00 0.00 O ATOM 1301 CB GLN A 84 13.681 5.789 3.518 1.00 0.00 C ATOM 1302 CG GLN A 84 14.672 4.748 2.946 1.00 0.00 C ATOM 1303 CD GLN A 84 15.750 5.411 2.122 1.00 0.00 C ATOM 1304 OE1 GLN A 84 15.702 5.327 0.905 1.00 0.00 O ATOM 1305 NE2 GLN A 84 16.737 6.081 2.758 1.00 0.00 N ATOM 0 H GLN A 84 11.145 4.303 3.136 1.00 0.00 H new ATOM 0 HA GLN A 84 13.132 4.788 5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.202 6.323 2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.229 6.528 4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.128 4.190 3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.132 4.028 2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.745 6.131 3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.473 6.537 2.219 1.00 0.00 H new ATOM 1314 N MET A 85 11.820 7.255 5.384 1.00 0.00 N ATOM 1315 CA MET A 85 10.794 8.190 5.844 1.00 0.00 C ATOM 1316 C MET A 85 11.169 9.578 5.378 1.00 0.00 C ATOM 1317 O MET A 85 12.355 9.800 5.193 1.00 0.00 O ATOM 1318 CB MET A 85 10.669 8.142 7.384 1.00 0.00 C ATOM 1319 CG MET A 85 9.385 8.860 7.878 1.00 0.00 C ATOM 1320 SD MET A 85 9.284 8.737 9.685 1.00 0.00 S ATOM 1321 CE MET A 85 8.347 7.189 9.765 1.00 0.00 C ATOM 0 H MET A 85 12.779 7.571 5.529 1.00 0.00 H new ATOM 0 HA MET A 85 9.825 7.914 5.428 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.656 7.104 7.716 1.00 0.00 H new ATOM 0 HB3 MET A 85 11.544 8.610 7.835 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.400 9.907 7.574 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.504 8.408 7.422 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.171 6.924 10.807 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.391 7.316 9.257 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.914 6.395 9.279 1.00 0.00 H new ATOM 1331 N GLU A 86 10.213 10.518 5.192 1.00 0.00 N ATOM 1332 CA GLU A 86 10.584 11.890 4.839 1.00 0.00 C ATOM 1333 C GLU A 86 9.703 12.870 5.585 1.00 0.00 C ATOM 1334 O GLU A 86 8.933 13.595 4.977 1.00 0.00 O ATOM 1335 CB GLU A 86 10.670 12.060 3.295 1.00 0.00 C ATOM 1336 CG GLU A 86 9.342 11.816 2.528 1.00 0.00 C ATOM 1337 CD GLU A 86 9.541 11.831 1.030 1.00 0.00 C ATOM 1338 OE1 GLU A 86 10.668 11.524 0.555 1.00 0.00 O ATOM 1339 OE2 GLU A 86 8.565 12.153 0.300 1.00 0.00 O ATOM 0 H GLU A 86 9.211 10.351 5.279 1.00 0.00 H new ATOM 0 HA GLU A 86 11.594 12.124 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.017 13.070 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.424 11.373 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.921 10.856 2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.618 12.582 2.805 1.00 0.00 H new ATOM 1346 N GLY A 87 9.833 12.906 6.935 1.00 0.00 N ATOM 1347 CA GLY A 87 9.054 13.844 7.741 1.00 0.00 C ATOM 1348 C GLY A 87 7.762 13.179 8.146 1.00 0.00 C ATOM 1349 O GLY A 87 7.840 12.153 8.804 1.00 0.00 O ATOM 0 H GLY A 87 10.460 12.304 7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.618 14.142 8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.850 14.751 7.172 1.00 0.00 H new ATOM 1353 N GLY A 88 6.579 13.719 7.761 1.00 0.00 N ATOM 1354 CA GLY A 88 5.309 13.066 8.078 1.00 0.00 C ATOM 1355 C GLY A 88 4.846 12.315 6.854 1.00 0.00 C ATOM 1356 O GLY A 88 3.691 12.431 6.477 1.00 0.00 O ATOM 0 H GLY A 88 6.490 14.591 7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.432 12.383 8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.565 13.805 8.374 1.00 0.00 H new ATOM 1360 N LYS A 89 5.760 11.540 6.227 1.00 0.00 N ATOM 1361 CA LYS A 89 5.431 10.846 4.985 1.00 0.00 C ATOM 1362 C LYS A 89 6.377 9.679 4.827 1.00 0.00 C ATOM 1363 O LYS A 89 7.463 9.764 5.376 1.00 0.00 O ATOM 1364 CB LYS A 89 5.545 11.868 3.824 1.00 0.00 C ATOM 1365 CG LYS A 89 5.429 11.217 2.420 1.00 0.00 C ATOM 1366 CD LYS A 89 5.406 12.291 1.301 1.00 0.00 C ATOM 1367 CE LYS A 89 5.353 11.642 -0.108 1.00 0.00 C ATOM 1368 NZ LYS A 89 5.309 12.662 -1.180 1.00 0.00 N ATOM 0 H LYS A 89 6.711 11.388 6.562 1.00 0.00 H new ATOM 0 HA LYS A 89 4.416 10.449 4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.764 12.621 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.501 12.387 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.268 10.540 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.521 10.616 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.541 12.941 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.293 12.920 1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.226 11.005 -0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.475 11.000 -0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.274 12.191 -2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.463 13.254 -1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.159 13.258 -1.127 1.00 0.00 H new ATOM 1382 N LEU A 90 5.987 8.593 4.118 1.00 0.00 N ATOM 1383 CA LEU A 90 6.809 7.385 4.073 1.00 0.00 C ATOM 1384 C LEU A 90 7.337 7.145 2.679 1.00 0.00 C ATOM 1385 O LEU A 90 6.717 7.631 1.746 1.00 0.00 O ATOM 1386 CB LEU A 90 5.957 6.187 4.554 1.00 0.00 C ATOM 1387 CG LEU A 90 6.750 5.099 5.321 1.00 0.00 C ATOM 1388 CD1 LEU A 90 7.342 5.607 6.670 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.816 3.897 5.579 1.00 0.00 C ATOM 0 H LEU A 90 5.121 8.539 3.581 1.00 0.00 H new ATOM 0 HA LEU A 90 7.671 7.506 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.161 6.560 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.479 5.728 3.689 1.00 0.00 H new ATOM 0 HG LEU A 90 7.599 4.811 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.885 4.797 7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.023 6.437 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.533 5.943 7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.361 3.122 6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.962 4.221 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.465 3.498 4.627 1.00 0.00 H new ATOM 1401 N VAL A 91 8.463 6.404 2.531 1.00 0.00 N ATOM 1402 CA VAL A 91 9.076 6.203 1.220 1.00 0.00 C ATOM 1403 C VAL A 91 9.414 4.747 1.020 1.00 0.00 C ATOM 1404 O VAL A 91 9.811 4.142 1.998 1.00 0.00 O ATOM 1405 CB VAL A 91 10.386 7.033 1.151 1.00 0.00 C ATOM 1406 CG1 VAL A 91 11.018 7.002 -0.267 1.00 0.00 C ATOM 1407 CG2 VAL A 91 10.160 8.491 1.632 1.00 0.00 C ATOM 0 H VAL A 91 8.951 5.946 3.301 1.00 0.00 H new ATOM 0 HA VAL A 91 8.378 6.519 0.445 1.00 0.00 H new ATOM 0 HB VAL A 91 11.096 6.564 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.932 7.595 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.252 5.973 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.314 7.416 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.097 9.044 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.413 8.971 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.810 8.483 2.664 1.00 0.00 H new ATOM 1417 N VAL A 92 9.304 4.170 -0.198 1.00 0.00 N ATOM 1418 CA VAL A 92 9.813 2.821 -0.435 1.00 0.00 C ATOM 1419 C VAL A 92 10.128 2.631 -1.900 1.00 0.00 C ATOM 1420 O VAL A 92 9.607 3.377 -2.714 1.00 0.00 O ATOM 1421 CB VAL A 92 8.812 1.756 0.096 1.00 0.00 C ATOM 1422 CG1 VAL A 92 7.473 1.815 -0.669 1.00 0.00 C ATOM 1423 CG2 VAL A 92 9.351 0.298 0.032 1.00 0.00 C ATOM 0 H VAL A 92 8.875 4.615 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 92 10.743 2.687 0.118 1.00 0.00 H new ATOM 0 HB VAL A 92 8.666 2.012 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.795 1.058 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.027 2.802 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.650 1.626 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.596 -0.386 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.579 0.039 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.256 0.218 0.634 1.00 0.00 H new ATOM 1433 N ASN A 93 10.986 1.642 -2.237 1.00 0.00 N ATOM 1434 CA ASN A 93 11.354 1.406 -3.627 1.00 0.00 C ATOM 1435 C ASN A 93 11.613 -0.076 -3.822 1.00 0.00 C ATOM 1436 O ASN A 93 12.497 -0.597 -3.159 1.00 0.00 O ATOM 1437 CB ASN A 93 12.593 2.258 -3.996 1.00 0.00 C ATOM 1438 CG ASN A 93 13.692 2.104 -2.971 1.00 0.00 C ATOM 1439 OD1 ASN A 93 14.607 1.328 -3.196 1.00 0.00 O ATOM 1440 ND2 ASN A 93 13.627 2.830 -1.831 1.00 0.00 N ATOM 0 H ASN A 93 11.424 1.010 -1.567 1.00 0.00 H new ATOM 0 HA ASN A 93 10.542 1.705 -4.290 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.963 1.959 -4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.306 3.307 -4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 93 14.358 2.738 -1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.847 3.469 -1.677 1.00 0.00 H new ATOM 1447 N PHE A 94 10.852 -0.753 -4.717 1.00 0.00 N ATOM 1448 CA PHE A 94 11.053 -2.178 -4.991 1.00 0.00 C ATOM 1449 C PHE A 94 11.886 -2.235 -6.253 1.00 0.00 C ATOM 1450 O PHE A 94 11.895 -1.221 -6.934 1.00 0.00 O ATOM 1451 CB PHE A 94 9.663 -2.818 -5.298 1.00 0.00 C ATOM 1452 CG PHE A 94 8.676 -2.554 -4.155 1.00 0.00 C ATOM 1453 CD1 PHE A 94 7.874 -1.406 -4.136 1.00 0.00 C ATOM 1454 CD2 PHE A 94 8.570 -3.468 -3.105 1.00 0.00 C ATOM 1455 CE1 PHE A 94 7.124 -1.091 -3.000 1.00 0.00 C ATOM 1456 CE2 PHE A 94 7.834 -3.151 -1.963 1.00 0.00 C ATOM 1457 CZ PHE A 94 7.153 -1.936 -1.889 1.00 0.00 C ATOM 0 H PHE A 94 10.098 -0.327 -5.255 1.00 0.00 H new ATOM 0 HA PHE A 94 11.525 -2.697 -4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.267 -2.409 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 94 9.777 -3.892 -5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.835 -0.762 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.061 -4.427 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.522 -0.194 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.792 -3.846 -1.137 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.651 -1.650 -0.977 1.00 0.00 H new ATOM 1467 N PRO A 95 12.573 -3.332 -6.659 1.00 0.00 N ATOM 1468 CA PRO A 95 13.239 -3.336 -7.958 1.00 0.00 C ATOM 1469 C PRO A 95 12.223 -3.584 -9.057 1.00 0.00 C ATOM 1470 O PRO A 95 12.363 -4.551 -9.788 1.00 0.00 O ATOM 1471 CB PRO A 95 14.209 -4.523 -7.725 1.00 0.00 C ATOM 1472 CG PRO A 95 13.380 -5.482 -6.839 1.00 0.00 C ATOM 1473 CD PRO A 95 12.697 -4.524 -5.835 1.00 0.00 C ATOM 0 HA PRO A 95 13.735 -2.417 -8.271 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.503 -4.994 -8.663 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.125 -4.204 -7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.650 -6.042 -7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.012 -6.213 -6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.731 -4.897 -5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.303 -4.353 -4.945 1.00 0.00 H new ATOM 1481 N ASN A 96 11.196 -2.711 -9.189 1.00 0.00 N ATOM 1482 CA ASN A 96 10.141 -2.905 -10.187 1.00 0.00 C ATOM 1483 C ASN A 96 9.261 -1.668 -10.183 1.00 0.00 C ATOM 1484 O ASN A 96 9.338 -0.893 -11.124 1.00 0.00 O ATOM 1485 CB ASN A 96 9.288 -4.181 -9.923 1.00 0.00 C ATOM 1486 CG ASN A 96 9.892 -5.437 -10.506 1.00 0.00 C ATOM 1487 OD1 ASN A 96 10.340 -6.286 -9.753 1.00 0.00 O ATOM 1488 ND2 ASN A 96 9.918 -5.584 -11.849 1.00 0.00 N ATOM 0 H ASN A 96 11.084 -1.874 -8.617 1.00 0.00 H new ATOM 0 HA ASN A 96 10.606 -3.051 -11.162 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.165 -4.311 -8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.292 -4.037 -10.343 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.321 -6.425 -12.262 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.534 -4.854 -12.449 1.00 0.00 H new ATOM 1495 N TYR A 97 8.445 -1.472 -9.118 1.00 0.00 N ATOM 1496 CA TYR A 97 7.622 -0.272 -8.968 1.00 0.00 C ATOM 1497 C TYR A 97 8.197 0.537 -7.821 1.00 0.00 C ATOM 1498 O TYR A 97 9.118 0.063 -7.175 1.00 0.00 O ATOM 1499 CB TYR A 97 6.131 -0.664 -8.761 1.00 0.00 C ATOM 1500 CG TYR A 97 5.746 -1.135 -7.351 1.00 0.00 C ATOM 1501 CD1 TYR A 97 5.933 -2.472 -6.993 1.00 0.00 C ATOM 1502 CD2 TYR A 97 5.168 -0.263 -6.420 1.00 0.00 C ATOM 1503 CE1 TYR A 97 5.516 -2.931 -5.743 1.00 0.00 C ATOM 1504 CE2 TYR A 97 4.653 -0.748 -5.213 1.00 0.00 C ATOM 1505 CZ TYR A 97 4.857 -2.084 -4.851 1.00 0.00 C ATOM 1506 OH TYR A 97 4.418 -2.585 -3.622 1.00 0.00 O ATOM 0 H TYR A 97 8.347 -2.140 -8.353 1.00 0.00 H new ATOM 0 HA TYR A 97 7.641 0.344 -9.867 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.512 0.196 -9.017 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.883 -1.457 -9.467 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.402 -3.154 -7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.119 0.794 -6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.706 -3.956 -5.462 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.098 -0.091 -4.560 1.00 0.00 H new ATOM 0 HH TYR A 97 5.100 -2.419 -2.938 1.00 0.00 H new ATOM 1516 N HIS A 98 7.671 1.754 -7.554 1.00 0.00 N ATOM 1517 CA HIS A 98 8.116 2.576 -6.426 1.00 0.00 C ATOM 1518 C HIS A 98 6.877 3.068 -5.730 1.00 0.00 C ATOM 1519 O HIS A 98 5.851 3.143 -6.387 1.00 0.00 O ATOM 1520 CB HIS A 98 8.957 3.787 -6.913 1.00 0.00 C ATOM 1521 CG HIS A 98 8.954 4.994 -5.997 1.00 0.00 C ATOM 1522 ND1 HIS A 98 7.931 5.782 -5.737 1.00 0.00 N ATOM 1523 CD2 HIS A 98 10.028 5.447 -5.324 1.00 0.00 C ATOM 1524 CE1 HIS A 98 8.295 6.737 -4.942 1.00 0.00 C ATOM 1525 NE2 HIS A 98 9.504 6.601 -4.652 1.00 0.00 N ATOM 0 H HIS A 98 6.934 2.183 -8.113 1.00 0.00 H new ATOM 0 HA HIS A 98 8.746 1.989 -5.758 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.988 3.460 -7.050 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.587 4.094 -7.891 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.030 5.044 -5.297 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.654 7.529 -4.584 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.035 7.215 -4.034 1.00 0.00 H new ATOM 1533 N GLN A 99 6.937 3.415 -4.425 1.00 0.00 N ATOM 1534 CA GLN A 99 5.726 3.870 -3.747 1.00 0.00 C ATOM 1535 C GLN A 99 6.111 4.773 -2.601 1.00 0.00 C ATOM 1536 O GLN A 99 7.231 4.666 -2.131 1.00 0.00 O ATOM 1537 CB GLN A 99 4.913 2.609 -3.353 1.00 0.00 C ATOM 1538 CG GLN A 99 3.489 2.830 -2.777 1.00 0.00 C ATOM 1539 CD GLN A 99 3.485 3.362 -1.366 1.00 0.00 C ATOM 1540 OE1 GLN A 99 3.017 4.469 -1.158 1.00 0.00 O ATOM 1541 NE2 GLN A 99 3.985 2.595 -0.374 1.00 0.00 N ATOM 0 H GLN A 99 7.778 3.388 -3.849 1.00 0.00 H new ATOM 0 HA GLN A 99 5.080 4.477 -4.381 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.825 1.975 -4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.492 2.051 -2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.950 3.525 -3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.945 1.886 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.368 1.674 -0.586 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.979 2.937 0.587 1.00 0.00 H new ATOM 1550 N THR A 100 5.206 5.675 -2.163 1.00 0.00 N ATOM 1551 CA THR A 100 5.514 6.587 -1.063 1.00 0.00 C ATOM 1552 C THR A 100 4.252 6.654 -0.232 1.00 0.00 C ATOM 1553 O THR A 100 3.300 7.275 -0.680 1.00 0.00 O ATOM 1554 CB THR A 100 5.958 7.984 -1.588 1.00 0.00 C ATOM 1555 OG1 THR A 100 5.282 8.302 -2.806 1.00 0.00 O ATOM 1556 CG2 THR A 100 7.491 8.115 -1.813 1.00 0.00 C ATOM 0 H THR A 100 4.270 5.783 -2.555 1.00 0.00 H new ATOM 0 HA THR A 100 6.355 6.236 -0.465 1.00 0.00 H new ATOM 0 HB THR A 100 5.687 8.688 -0.801 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.572 9.184 -3.120 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.721 9.116 -2.179 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.013 7.944 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.815 7.377 -2.547 1.00 0.00 H new ATOM 1564 N SER A 101 4.219 5.997 0.954 1.00 0.00 N ATOM 1565 CA SER A 101 3.000 6.001 1.764 1.00 0.00 C ATOM 1566 C SER A 101 2.894 7.375 2.372 1.00 0.00 C ATOM 1567 O SER A 101 3.886 8.085 2.340 1.00 0.00 O ATOM 1568 CB SER A 101 2.975 4.889 2.857 1.00 0.00 C ATOM 1569 OG SER A 101 1.780 4.099 2.805 1.00 0.00 O ATOM 0 H SER A 101 5.001 5.477 1.352 1.00 0.00 H new ATOM 0 HA SER A 101 2.142 5.775 1.131 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.842 4.240 2.732 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.061 5.349 3.841 1.00 0.00 H new ATOM 0 HG SER A 101 1.668 3.619 3.652 1.00 0.00 H new ATOM 1575 N GLU A 102 1.724 7.787 2.913 1.00 0.00 N ATOM 1576 CA GLU A 102 1.597 9.171 3.363 1.00 0.00 C ATOM 1577 C GLU A 102 0.404 9.346 4.281 1.00 0.00 C ATOM 1578 O GLU A 102 -0.706 9.169 3.806 1.00 0.00 O ATOM 1579 CB GLU A 102 1.447 10.050 2.091 1.00 0.00 C ATOM 1580 CG GLU A 102 1.290 11.553 2.435 1.00 0.00 C ATOM 1581 CD GLU A 102 1.061 12.342 1.171 1.00 0.00 C ATOM 1582 OE1 GLU A 102 2.044 12.538 0.406 1.00 0.00 O ATOM 1583 OE2 GLU A 102 -0.101 12.768 0.929 1.00 0.00 O ATOM 0 H GLU A 102 0.897 7.204 3.040 1.00 0.00 H new ATOM 0 HA GLU A 102 2.476 9.464 3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.320 9.914 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.580 9.717 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.454 11.694 3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.183 11.915 2.944 1.00 0.00 H new ATOM 1590 N ILE A 103 0.602 9.706 5.574 1.00 0.00 N ATOM 1591 CA ILE A 103 -0.530 9.998 6.458 1.00 0.00 C ATOM 1592 C ILE A 103 -0.910 11.448 6.285 1.00 0.00 C ATOM 1593 O ILE A 103 -0.038 12.247 5.983 1.00 0.00 O ATOM 1594 CB ILE A 103 -0.212 9.633 7.941 1.00 0.00 C ATOM 1595 CG1 ILE A 103 -0.325 8.098 8.145 1.00 0.00 C ATOM 1596 CG2 ILE A 103 -1.043 10.424 8.991 1.00 0.00 C ATOM 1597 CD1 ILE A 103 -1.751 7.584 8.467 1.00 0.00 C ATOM 0 H ILE A 103 1.519 9.797 6.011 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.383 9.377 6.184 1.00 0.00 H new ATOM 0 HB ILE A 103 0.816 9.945 8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.030 7.600 7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.343 7.804 8.955 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.758 10.107 9.994 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.850 11.491 8.879 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.104 10.229 8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.728 6.501 8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.106 8.048 9.387 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.424 7.840 7.649 1.00 0.00 H new ATOM 1609 N VAL A 104 -2.211 11.785 6.464 1.00 0.00 N ATOM 1610 CA VAL A 104 -2.679 13.152 6.254 1.00 0.00 C ATOM 1611 C VAL A 104 -3.630 13.467 7.393 1.00 0.00 C ATOM 1612 O VAL A 104 -4.834 13.494 7.193 1.00 0.00 O ATOM 1613 CB VAL A 104 -3.328 13.243 4.840 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -3.772 14.698 4.518 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -2.362 12.734 3.734 1.00 0.00 C ATOM 0 H VAL A 104 -2.937 11.128 6.750 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.880 13.893 6.268 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.208 12.600 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.221 14.730 3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.502 15.028 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.905 15.358 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.848 12.812 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.455 13.339 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.104 11.693 3.928 1.00 0.00 H new ATOM 1625 N GLY A 105 -3.091 13.698 8.613 1.00 0.00 N ATOM 1626 CA GLY A 105 -3.942 14.013 9.759 1.00 0.00 C ATOM 1627 C GLY A 105 -4.643 12.763 10.235 1.00 0.00 C ATOM 1628 O GLY A 105 -4.144 12.118 11.144 1.00 0.00 O ATOM 0 H GLY A 105 -2.092 13.671 8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.341 14.433 10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.676 14.769 9.481 1.00 0.00 H new ATOM 1632 N ASP A 106 -5.797 12.411 9.621 1.00 0.00 N ATOM 1633 CA ASP A 106 -6.555 11.230 10.041 1.00 0.00 C ATOM 1634 C ASP A 106 -7.051 10.547 8.789 1.00 0.00 C ATOM 1635 O ASP A 106 -8.246 10.377 8.607 1.00 0.00 O ATOM 1636 CB ASP A 106 -7.706 11.679 10.975 1.00 0.00 C ATOM 1637 CG ASP A 106 -7.122 12.304 12.215 1.00 0.00 C ATOM 1638 OD1 ASP A 106 -6.820 11.548 13.178 1.00 0.00 O ATOM 1639 OD2 ASP A 106 -6.955 13.554 12.235 1.00 0.00 O ATOM 0 H ASP A 106 -6.211 12.926 8.844 1.00 0.00 H new ATOM 0 HA ASP A 106 -5.946 10.523 10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.349 12.394 10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.328 10.825 11.242 1.00 0.00 H new ATOM 1644 N LYS A 107 -6.099 10.178 7.904 1.00 0.00 N ATOM 1645 CA LYS A 107 -6.462 9.672 6.579 1.00 0.00 C ATOM 1646 C LYS A 107 -5.186 9.151 5.955 1.00 0.00 C ATOM 1647 O LYS A 107 -4.230 9.909 5.929 1.00 0.00 O ATOM 1648 CB LYS A 107 -7.011 10.878 5.766 1.00 0.00 C ATOM 1649 CG LYS A 107 -7.435 10.507 4.321 1.00 0.00 C ATOM 1650 CD LYS A 107 -7.883 11.745 3.491 1.00 0.00 C ATOM 1651 CE LYS A 107 -6.756 12.778 3.216 1.00 0.00 C ATOM 1652 NZ LYS A 107 -7.158 13.748 2.170 1.00 0.00 N ATOM 0 H LYS A 107 -5.096 10.222 8.085 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.212 8.882 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.868 11.300 6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.248 11.656 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.602 10.018 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.251 9.786 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.284 11.402 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.696 12.245 4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.516 13.311 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.851 12.257 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.385 14.425 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.364 13.240 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.008 14.261 2.480 1.00 0.00 H new ATOM 1666 N LEU A 108 -5.133 7.889 5.474 1.00 0.00 N ATOM 1667 CA LEU A 108 -3.885 7.346 4.942 1.00 0.00 C ATOM 1668 C LEU A 108 -4.006 7.411 3.442 1.00 0.00 C ATOM 1669 O LEU A 108 -5.076 7.085 2.954 1.00 0.00 O ATOM 1670 CB LEU A 108 -3.664 5.891 5.443 1.00 0.00 C ATOM 1671 CG LEU A 108 -2.509 5.140 4.719 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -1.128 5.573 5.284 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -2.689 3.604 4.858 1.00 0.00 C ATOM 0 H LEU A 108 -5.926 7.248 5.447 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.019 7.915 5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.454 5.914 6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.588 5.328 5.311 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.544 5.402 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.337 5.035 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.995 6.645 5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.082 5.344 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.873 3.094 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.682 3.331 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.638 3.307 4.412 1.00 0.00 H new ATOM 1685 N VAL A 109 -2.940 7.814 2.707 1.00 0.00 N ATOM 1686 CA VAL A 109 -3.008 7.838 1.248 1.00 0.00 C ATOM 1687 C VAL A 109 -1.686 7.327 0.724 1.00 0.00 C ATOM 1688 O VAL A 109 -0.755 7.206 1.504 1.00 0.00 O ATOM 1689 CB VAL A 109 -3.375 9.250 0.690 1.00 0.00 C ATOM 1690 CG1 VAL A 109 -4.419 9.965 1.589 1.00 0.00 C ATOM 1691 CG2 VAL A 109 -2.143 10.171 0.508 1.00 0.00 C ATOM 0 H VAL A 109 -2.049 8.118 3.100 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.815 7.192 0.902 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.805 9.068 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.650 10.944 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.329 9.367 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -4.012 10.087 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.465 11.136 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.651 10.314 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.445 9.711 -0.192 1.00 0.00 H new ATOM 1701 N GLU A 110 -1.597 7.027 -0.591 1.00 0.00 N ATOM 1702 CA GLU A 110 -0.362 6.495 -1.162 1.00 0.00 C ATOM 1703 C GLU A 110 -0.186 7.012 -2.567 1.00 0.00 C ATOM 1704 O GLU A 110 -1.105 7.636 -3.072 1.00 0.00 O ATOM 1705 CB GLU A 110 -0.437 4.944 -1.229 1.00 0.00 C ATOM 1706 CG GLU A 110 -0.756 4.319 0.152 1.00 0.00 C ATOM 1707 CD GLU A 110 -0.657 2.814 0.140 1.00 0.00 C ATOM 1708 OE1 GLU A 110 -0.896 2.200 -0.935 1.00 0.00 O ATOM 1709 OE2 GLU A 110 -0.339 2.231 1.213 1.00 0.00 O ATOM 0 H GLU A 110 -2.358 7.145 -1.259 1.00 0.00 H new ATOM 0 HA GLU A 110 0.473 6.807 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.203 4.649 -1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.511 4.550 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.068 4.720 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.761 4.612 0.457 1.00 0.00 H new ATOM 1716 N VAL A 111 0.978 6.737 -3.202 1.00 0.00 N ATOM 1717 CA VAL A 111 1.144 7.048 -4.622 1.00 0.00 C ATOM 1718 C VAL A 111 2.126 6.031 -5.186 1.00 0.00 C ATOM 1719 O VAL A 111 3.310 6.162 -4.924 1.00 0.00 O ATOM 1720 CB VAL A 111 1.491 8.555 -4.805 1.00 0.00 C ATOM 1721 CG1 VAL A 111 2.763 8.999 -4.050 1.00 0.00 C ATOM 1722 CG2 VAL A 111 1.633 8.902 -6.308 1.00 0.00 C ATOM 0 H VAL A 111 1.791 6.311 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 111 0.230 6.943 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 111 0.658 9.104 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.939 10.060 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.631 8.825 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.618 8.425 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.876 9.959 -6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.429 8.300 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.694 8.691 -6.820 1.00 0.00 H new ATOM 1732 N SER A 112 1.659 4.995 -5.930 1.00 0.00 N ATOM 1733 CA SER A 112 2.547 3.938 -6.430 1.00 0.00 C ATOM 1734 C SER A 112 3.153 4.432 -7.717 1.00 0.00 C ATOM 1735 O SER A 112 2.736 5.485 -8.167 1.00 0.00 O ATOM 1736 CB SER A 112 1.796 2.594 -6.595 1.00 0.00 C ATOM 1737 OG SER A 112 2.692 1.487 -6.407 1.00 0.00 O ATOM 0 H SER A 112 0.680 4.878 -6.190 1.00 0.00 H new ATOM 0 HA SER A 112 3.341 3.730 -5.713 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.981 2.536 -5.873 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.348 2.541 -7.587 1.00 0.00 H new ATOM 0 HG SER A 112 2.569 0.840 -7.133 1.00 0.00 H new ATOM 1743 N THR A 113 4.137 3.738 -8.325 1.00 0.00 N ATOM 1744 CA THR A 113 4.820 4.315 -9.484 1.00 0.00 C ATOM 1745 C THR A 113 5.540 3.257 -10.272 1.00 0.00 C ATOM 1746 O THR A 113 6.086 2.372 -9.642 1.00 0.00 O ATOM 1747 CB THR A 113 5.866 5.355 -8.999 1.00 0.00 C ATOM 1748 OG1 THR A 113 5.261 6.610 -8.633 1.00 0.00 O ATOM 1749 CG2 THR A 113 6.969 5.648 -10.042 1.00 0.00 C ATOM 0 H THR A 113 4.462 2.814 -8.042 1.00 0.00 H new ATOM 0 HA THR A 113 4.069 4.784 -10.119 1.00 0.00 H new ATOM 0 HB THR A 113 6.320 4.889 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.309 6.472 -8.445 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.666 6.383 -9.638 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.505 4.728 -10.273 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.515 6.041 -10.952 1.00 0.00 H new ATOM 1757 N ILE A 114 5.583 3.326 -11.621 1.00 0.00 N ATOM 1758 CA ILE A 114 6.274 2.287 -12.382 1.00 0.00 C ATOM 1759 C ILE A 114 6.494 2.767 -13.798 1.00 0.00 C ATOM 1760 O ILE A 114 5.572 3.382 -14.306 1.00 0.00 O ATOM 1761 CB ILE A 114 5.419 0.987 -12.380 1.00 0.00 C ATOM 1762 CG1 ILE A 114 6.260 -0.225 -12.859 1.00 0.00 C ATOM 1763 CG2 ILE A 114 4.102 1.154 -13.186 1.00 0.00 C ATOM 1764 CD1 ILE A 114 5.454 -1.542 -12.827 1.00 0.00 C ATOM 0 H ILE A 114 5.160 4.067 -12.181 1.00 0.00 H new ATOM 0 HA ILE A 114 7.240 2.074 -11.925 1.00 0.00 H new ATOM 0 HB ILE A 114 5.117 0.787 -11.352 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.614 -0.042 -13.874 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.143 -0.325 -12.227 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.537 0.222 -13.157 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.505 1.953 -12.747 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.338 1.404 -14.220 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.084 -2.362 -13.171 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.123 -1.741 -11.808 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.586 -1.453 -13.480 1.00 0.00 H new ATOM 1776 N GLY A 115 7.660 2.515 -14.441 1.00 0.00 N ATOM 1777 CA GLY A 115 7.873 2.958 -15.819 1.00 0.00 C ATOM 1778 C GLY A 115 7.425 4.389 -16.010 1.00 0.00 C ATOM 1779 O GLY A 115 8.216 5.291 -15.780 1.00 0.00 O ATOM 0 H GLY A 115 8.447 2.016 -14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.929 2.868 -16.073 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.324 2.309 -16.501 1.00 0.00 H new ATOM 1783 N GLY A 116 6.149 4.604 -16.408 1.00 0.00 N ATOM 1784 CA GLY A 116 5.614 5.958 -16.536 1.00 0.00 C ATOM 1785 C GLY A 116 4.139 5.987 -16.203 1.00 0.00 C ATOM 1786 O GLY A 116 3.387 6.631 -16.918 1.00 0.00 O ATOM 0 H GLY A 116 5.488 3.862 -16.640 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.155 6.632 -15.871 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.769 6.320 -17.552 1.00 0.00 H new ATOM 1790 N VAL A 117 3.722 5.297 -15.112 1.00 0.00 N ATOM 1791 CA VAL A 117 2.314 5.255 -14.714 1.00 0.00 C ATOM 1792 C VAL A 117 2.266 5.321 -13.202 1.00 0.00 C ATOM 1793 O VAL A 117 3.229 4.891 -12.588 1.00 0.00 O ATOM 1794 CB VAL A 117 1.626 3.971 -15.265 1.00 0.00 C ATOM 1795 CG1 VAL A 117 0.123 3.899 -14.872 1.00 0.00 C ATOM 1796 CG2 VAL A 117 1.768 3.906 -16.811 1.00 0.00 C ATOM 0 H VAL A 117 4.346 4.768 -14.502 1.00 0.00 H new ATOM 0 HA VAL A 117 1.766 6.099 -15.132 1.00 0.00 H new ATOM 0 HB VAL A 117 2.129 3.116 -14.814 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.316 2.987 -15.278 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.031 3.894 -13.786 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.401 4.765 -15.277 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.283 3.004 -17.183 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.297 4.782 -17.257 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.824 3.887 -17.079 1.00 0.00 H new ATOM 1806 N THR A 118 1.182 5.866 -12.598 1.00 0.00 N ATOM 1807 CA THR A 118 1.135 6.082 -11.149 1.00 0.00 C ATOM 1808 C THR A 118 -0.165 5.514 -10.628 1.00 0.00 C ATOM 1809 O THR A 118 -1.013 5.196 -11.443 1.00 0.00 O ATOM 1810 CB THR A 118 1.259 7.619 -10.925 1.00 0.00 C ATOM 1811 OG1 THR A 118 2.570 8.071 -11.311 1.00 0.00 O ATOM 1812 CG2 THR A 118 1.028 8.064 -9.463 1.00 0.00 C ATOM 0 H THR A 118 0.341 6.158 -13.095 1.00 0.00 H new ATOM 0 HA THR A 118 1.941 5.583 -10.611 1.00 0.00 H new ATOM 0 HB THR A 118 0.475 8.061 -11.539 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.638 9.038 -11.168 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.132 9.147 -9.391 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.025 7.774 -9.149 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.764 7.585 -8.816 1.00 0.00 H new ATOM 1820 N TYR A 119 -0.359 5.370 -9.296 1.00 0.00 N ATOM 1821 CA TYR A 119 -1.659 4.945 -8.775 1.00 0.00 C ATOM 1822 C TYR A 119 -1.834 5.478 -7.370 1.00 0.00 C ATOM 1823 O TYR A 119 -1.138 4.977 -6.501 1.00 0.00 O ATOM 1824 CB TYR A 119 -1.704 3.393 -8.779 1.00 0.00 C ATOM 1825 CG TYR A 119 -2.550 2.761 -7.662 1.00 0.00 C ATOM 1826 CD1 TYR A 119 -3.792 3.296 -7.302 1.00 0.00 C ATOM 1827 CD2 TYR A 119 -2.077 1.631 -6.984 1.00 0.00 C ATOM 1828 CE1 TYR A 119 -4.514 2.748 -6.238 1.00 0.00 C ATOM 1829 CE2 TYR A 119 -2.827 1.054 -5.956 1.00 0.00 C ATOM 1830 CZ TYR A 119 -4.052 1.608 -5.576 1.00 0.00 C ATOM 1831 OH TYR A 119 -4.773 1.014 -4.535 1.00 0.00 O ATOM 0 H TYR A 119 0.354 5.539 -8.587 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.467 5.333 -9.395 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -2.093 3.059 -9.741 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.685 3.015 -8.699 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.194 4.136 -7.849 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.125 1.202 -7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -5.438 3.211 -5.925 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -2.457 0.174 -5.452 1.00 0.00 H new ATOM 0 HH TYR A 119 -5.674 0.789 -4.848 1.00 0.00 H new ATOM 1841 N GLU A 120 -2.741 6.456 -7.116 1.00 0.00 N ATOM 1842 CA GLU A 120 -2.944 6.940 -5.750 1.00 0.00 C ATOM 1843 C GLU A 120 -4.106 6.228 -5.112 1.00 0.00 C ATOM 1844 O GLU A 120 -4.929 5.691 -5.835 1.00 0.00 O ATOM 1845 CB GLU A 120 -3.243 8.461 -5.662 1.00 0.00 C ATOM 1846 CG GLU A 120 -2.192 9.331 -6.393 1.00 0.00 C ATOM 1847 CD GLU A 120 -2.564 10.791 -6.444 1.00 0.00 C ATOM 1848 OE1 GLU A 120 -3.540 11.202 -5.758 1.00 0.00 O ATOM 1849 OE2 GLU A 120 -1.874 11.548 -7.180 1.00 0.00 O ATOM 0 H GLU A 120 -3.322 6.906 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.004 6.740 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.227 8.657 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.285 8.757 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.230 9.225 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.065 8.959 -7.410 1.00 0.00 H new ATOM 1856 N ARG A 121 -4.194 6.250 -3.760 1.00 0.00 N ATOM 1857 CA ARG A 121 -5.365 5.685 -3.092 1.00 0.00 C ATOM 1858 C ARG A 121 -5.635 6.509 -1.866 1.00 0.00 C ATOM 1859 O ARG A 121 -4.763 7.285 -1.517 1.00 0.00 O ATOM 1860 CB ARG A 121 -5.211 4.175 -2.766 1.00 0.00 C ATOM 1861 CG ARG A 121 -4.499 3.899 -1.413 1.00 0.00 C ATOM 1862 CD ARG A 121 -4.226 2.381 -1.217 1.00 0.00 C ATOM 1863 NE ARG A 121 -3.628 2.085 0.086 1.00 0.00 N ATOM 1864 CZ ARG A 121 -3.287 0.872 0.474 1.00 0.00 C ATOM 1865 NH1 ARG A 121 -3.472 -0.194 -0.270 1.00 0.00 N ATOM 1866 NH2 ARG A 121 -2.737 0.719 1.657 1.00 0.00 N ATOM 0 H ARG A 121 -3.487 6.642 -3.138 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.219 5.729 -3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.198 3.713 -2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.649 3.695 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.558 4.448 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.115 4.269 -0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.161 1.830 -1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.562 2.029 -2.007 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.466 2.860 0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.897 -0.104 -1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.191 -1.112 0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.581 1.530 2.256 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.466 -0.211 1.977 1.00 0.00 H new ATOM 1880 N VAL A 122 -6.813 6.369 -1.221 1.00 0.00 N ATOM 1881 CA VAL A 122 -7.134 7.233 -0.090 1.00 0.00 C ATOM 1882 C VAL A 122 -7.732 6.350 0.973 1.00 0.00 C ATOM 1883 O VAL A 122 -8.942 6.325 1.124 1.00 0.00 O ATOM 1884 CB VAL A 122 -8.103 8.347 -0.587 1.00 0.00 C ATOM 1885 CG1 VAL A 122 -8.386 9.376 0.540 1.00 0.00 C ATOM 1886 CG2 VAL A 122 -7.529 9.077 -1.833 1.00 0.00 C ATOM 0 H VAL A 122 -7.530 5.685 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 122 -6.265 7.737 0.332 1.00 0.00 H new ATOM 0 HB VAL A 122 -9.039 7.864 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.065 10.144 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -8.842 8.868 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -7.450 9.839 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -8.228 9.849 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -6.574 9.536 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.382 8.359 -2.640 1.00 0.00 H new ATOM 1896 N SER A 123 -6.896 5.597 1.722 1.00 0.00 N ATOM 1897 CA SER A 123 -7.459 4.726 2.738 1.00 0.00 C ATOM 1898 C SER A 123 -7.903 5.626 3.870 1.00 0.00 C ATOM 1899 O SER A 123 -7.082 5.980 4.699 1.00 0.00 O ATOM 1900 CB SER A 123 -6.461 3.616 3.140 1.00 0.00 C ATOM 1901 OG SER A 123 -6.083 2.870 1.970 1.00 0.00 O ATOM 0 H SER A 123 -5.879 5.582 1.639 1.00 0.00 H new ATOM 0 HA SER A 123 -8.324 4.169 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.579 4.055 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 123 -6.914 2.953 3.877 1.00 0.00 H new ATOM 0 HG SER A 123 -5.449 2.166 2.221 1.00 0.00 H new ATOM 1907 N LYS A 124 -9.198 6.020 3.907 1.00 0.00 N ATOM 1908 CA LYS A 124 -9.702 6.882 4.984 1.00 0.00 C ATOM 1909 C LYS A 124 -9.493 6.195 6.311 1.00 0.00 C ATOM 1910 O LYS A 124 -9.163 5.023 6.287 1.00 0.00 O ATOM 1911 CB LYS A 124 -11.218 7.199 4.791 1.00 0.00 C ATOM 1912 CG LYS A 124 -11.482 8.367 3.804 1.00 0.00 C ATOM 1913 CD LYS A 124 -11.488 9.740 4.535 1.00 0.00 C ATOM 1914 CE LYS A 124 -11.647 10.913 3.534 1.00 0.00 C ATOM 1915 NZ LYS A 124 -11.795 12.210 4.235 1.00 0.00 N ATOM 0 H LYS A 124 -9.897 5.756 3.212 1.00 0.00 H new ATOM 0 HA LYS A 124 -9.153 7.823 4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.725 6.305 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -11.656 7.444 5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -10.716 8.370 3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -12.439 8.215 3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -12.302 9.765 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -10.560 9.860 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.779 10.951 2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.518 10.738 2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.899 12.973 3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.638 12.181 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -10.952 12.388 4.818 1.00 0.00 H new ATOM 1929 N ARG A 125 -9.678 6.896 7.456 1.00 0.00 N ATOM 1930 CA ARG A 125 -9.334 6.341 8.769 1.00 0.00 C ATOM 1931 C ARG A 125 -10.629 6.044 9.488 1.00 0.00 C ATOM 1932 O ARG A 125 -11.125 6.891 10.214 1.00 0.00 O ATOM 1933 CB ARG A 125 -8.423 7.324 9.556 1.00 0.00 C ATOM 1934 CG ARG A 125 -7.802 6.655 10.815 1.00 0.00 C ATOM 1935 CD ARG A 125 -6.845 7.623 11.564 1.00 0.00 C ATOM 1936 NE ARG A 125 -6.132 6.931 12.645 1.00 0.00 N ATOM 1937 CZ ARG A 125 -6.646 6.673 13.831 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -7.873 6.993 14.176 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -5.895 6.064 14.722 1.00 0.00 N ATOM 0 H ARG A 125 -10.062 7.841 7.487 1.00 0.00 H new ATOM 0 HA ARG A 125 -8.761 5.419 8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -7.626 7.682 8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -9.004 8.196 9.857 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -8.598 6.336 11.488 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -7.256 5.759 10.520 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.126 8.044 10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -7.415 8.456 11.975 1.00 0.00 H new ATOM 0 HE ARG A 125 -5.174 6.630 12.466 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -8.483 7.467 13.510 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -8.216 6.767 15.110 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.937 5.802 14.488 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.270 5.853 15.647 1.00 0.00 H new ATOM 1953 N LEU A 126 -11.194 4.835 9.268 1.00 0.00 N ATOM 1954 CA LEU A 126 -12.529 4.511 9.760 1.00 0.00 C ATOM 1955 C LEU A 126 -12.685 3.007 9.721 1.00 0.00 C ATOM 1956 O LEU A 126 -11.663 2.339 9.753 1.00 0.00 O ATOM 1957 CB LEU A 126 -13.593 5.332 8.971 1.00 0.00 C ATOM 1958 CG LEU A 126 -13.898 4.844 7.521 1.00 0.00 C ATOM 1959 CD1 LEU A 126 -14.749 5.921 6.799 1.00 0.00 C ATOM 1960 CD2 LEU A 126 -12.609 4.561 6.714 1.00 0.00 C ATOM 0 H LEU A 126 -10.740 4.080 8.755 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.683 4.804 10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -14.523 5.324 9.539 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -13.259 6.368 8.921 1.00 0.00 H new ATOM 0 HG LEU A 126 -14.446 3.904 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -14.969 5.591 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -15.682 6.071 7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -14.195 6.859 6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.874 4.224 5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.015 5.472 6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.028 3.787 7.215 1.00 0.00 H new ATOM 1972 N ALA A 127 -13.912 2.447 9.660 1.00 0.00 N ATOM 1973 CA ALA A 127 -14.057 0.995 9.721 1.00 0.00 C ATOM 1974 C ALA A 127 -15.317 0.566 9.014 1.00 0.00 C ATOM 1975 O ALA A 127 -16.156 -0.132 9.560 1.00 0.00 O ATOM 1976 CB ALA A 127 -14.047 0.583 11.215 1.00 0.00 C ATOM 0 H ALA A 127 -14.785 2.967 9.571 1.00 0.00 H new ATOM 0 HA ALA A 127 -13.234 0.495 9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -14.154 -0.499 11.295 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -13.105 0.889 11.671 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -14.875 1.068 11.732 1.00 0.00 H new TER 1982 ALA A 127