USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 974 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 38 LYS NZ :NH3+ -163:sc= 2.41 (180deg=0.955) USER MOD Set 1.2: A 117 GLN : amide:sc= 1.65! C(o=4.1!,f=-8.8!) USER MOD Set 2.1: A 102 HIS : no HE2:sc= 1.13 K(o=2.4,f=-3.5!) USER MOD Set 2.2: A 109 TYR OH : rot 40:sc= 1.26 USER MOD Set 3.1: A 49 GLN : amide:sc= 1.08 K(o=2.2,f=-6.5) USER MOD Set 3.2: A 53 LYS NZ :NH3+ 162:sc= 1.07 (180deg=-0.44) USER MOD Set 4.1: A 30 GLN : amide:sc= -4.3! C(o=-4.3!,f=-9.6!) USER MOD Set 4.2: A 33 LYS NZ :NH3+ 151:sc=-0.00257 (180deg=-1.83!) USER MOD Single : A 14 SER OG : rot 164:sc= 0.31 USER MOD Single : A 16 ASN : amide:sc= -0.0095 X(o=-0.0095,f=0) USER MOD Single : A 18 ASN : amide:sc= -1.48! K(o=-1.5!,f=-0.3) USER MOD Single : A 19 SER OG : rot 30:sc= 0.65 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00909 X(o=-0.0091,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= 2.14 (180deg=-0.351) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.743 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 164:sc= -0.056 (180deg=-0.469) USER MOD Single : A 46 THR OG1 : rot 170:sc= 0 USER MOD Single : A 52 SER OG : rot 83:sc= 0.7 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.22) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 78:sc= 0.975 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -1.69! K(o=-1.7!,f=-0.18) USER MOD Single : A 90 GLN : amide:sc= 0.308 X(o=0.31,f=0) USER MOD Single : A 97 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.32) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 175:sc= 0.604 USER MOD Single : A 108 CYS SG : rot 11:sc= -1.76! USER MOD Single : A 114 ASN : amide:sc= -1.21! X(o=-1.2!,f=-1.5) USER MOD Single : A 116 TYR OH : rot -60:sc= 1.09 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -30:sc= 0.467 USER MOD Single : A 128 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 129 MET CE :methyl -143:sc= -2.06 (180deg=-4.3!) USER MOD Single : A 133 LYS NZ :NH3+ 151:sc= 1.2 (180deg=0.672) USER MOD Single : A 134 SER OG : rot 180:sc= 0.051 USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.0413 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 14 6.265 8.055 11.869 1.00 0.00 N ATOM 2 CA SER A 14 5.720 9.101 12.758 1.00 0.00 C ATOM 3 C SER A 14 4.498 8.555 13.497 1.00 0.00 C ATOM 4 O SER A 14 3.616 7.948 12.887 1.00 0.00 O ATOM 5 CB SER A 14 5.351 10.341 11.935 1.00 0.00 C ATOM 6 OG SER A 14 5.200 11.489 12.755 1.00 0.00 O ATOM 0 HA SER A 14 6.472 9.389 13.493 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.124 10.526 11.189 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.423 10.156 11.394 1.00 0.00 H new ATOM 0 HG SER A 14 5.222 12.295 12.197 1.00 0.00 H new ATOM 12 N LEU A 15 4.452 8.761 14.805 1.00 0.00 N ATOM 13 CA LEU A 15 3.376 8.209 15.626 1.00 0.00 C ATOM 14 C LEU A 15 2.114 9.059 15.537 1.00 0.00 C ATOM 15 O LEU A 15 1.978 10.063 16.241 1.00 0.00 O ATOM 16 CB LEU A 15 3.811 8.071 17.089 1.00 0.00 C ATOM 17 CG LEU A 15 4.735 6.888 17.399 1.00 0.00 C ATOM 18 CD1 LEU A 15 6.140 7.128 16.868 1.00 0.00 C ATOM 19 CD2 LEU A 15 4.770 6.623 18.894 1.00 0.00 C ATOM 0 H LEU A 15 5.143 9.304 15.322 1.00 0.00 H new ATOM 0 HA LEU A 15 3.151 7.217 15.234 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.315 8.990 17.387 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.918 7.983 17.708 1.00 0.00 H new ATOM 0 HG LEU A 15 4.334 6.009 16.895 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.770 6.270 17.105 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.102 7.263 15.787 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.556 8.023 17.331 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.430 5.780 19.099 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.140 7.508 19.412 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.765 6.390 19.246 1.00 0.00 H new ATOM 31 N ASN A 16 1.202 8.637 14.658 1.00 0.00 N ATOM 32 CA ASN A 16 -0.096 9.292 14.471 1.00 0.00 C ATOM 33 C ASN A 16 0.083 10.782 14.208 1.00 0.00 C ATOM 34 O ASN A 16 -0.204 11.624 15.058 1.00 0.00 O ATOM 35 CB ASN A 16 -1.010 9.059 15.683 1.00 0.00 C ATOM 36 CG ASN A 16 -2.453 9.462 15.419 1.00 0.00 C ATOM 37 OD1 ASN A 16 -3.240 8.673 14.888 1.00 0.00 O ATOM 38 ND2 ASN A 16 -2.818 10.677 15.803 1.00 0.00 N ATOM 0 H ASN A 16 1.343 7.828 14.053 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.574 8.847 13.598 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.977 8.005 15.960 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.629 9.625 16.533 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.779 10.989 15.663 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.138 11.300 16.238 1.00 0.00 H new ATOM 45 N GLU A 17 0.581 11.099 13.028 1.00 0.00 N ATOM 46 CA GLU A 17 0.822 12.477 12.654 1.00 0.00 C ATOM 47 C GLU A 17 0.104 12.801 11.353 1.00 0.00 C ATOM 48 O GLU A 17 0.510 12.363 10.279 1.00 0.00 O ATOM 49 CB GLU A 17 2.325 12.728 12.518 1.00 0.00 C ATOM 50 CG GLU A 17 2.693 14.157 12.148 1.00 0.00 C ATOM 51 CD GLU A 17 4.192 14.364 12.092 1.00 0.00 C ATOM 52 OE1 GLU A 17 4.852 13.731 11.245 1.00 0.00 O ATOM 53 OE2 GLU A 17 4.720 15.149 12.908 1.00 0.00 O ATOM 0 H GLU A 17 0.827 10.417 12.310 1.00 0.00 H new ATOM 0 HA GLU A 17 0.431 13.130 13.434 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.810 12.473 13.460 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.726 12.055 11.761 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.257 14.404 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.260 14.842 12.877 1.00 0.00 H new ATOM 60 N ASN A 18 -0.984 13.540 11.460 1.00 0.00 N ATOM 61 CA ASN A 18 -1.713 13.998 10.285 1.00 0.00 C ATOM 62 C ASN A 18 -1.705 15.523 10.260 1.00 0.00 C ATOM 63 O ASN A 18 -2.670 16.163 9.846 1.00 0.00 O ATOM 64 CB ASN A 18 -3.150 13.452 10.300 1.00 0.00 C ATOM 65 CG ASN A 18 -3.904 13.701 8.999 1.00 0.00 C ATOM 66 OD1 ASN A 18 -5.124 13.866 9.000 1.00 0.00 O ATOM 67 ND2 ASN A 18 -3.192 13.715 7.879 1.00 0.00 N ATOM 0 H ASN A 18 -1.386 13.838 12.349 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.229 13.625 9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.122 12.380 10.496 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.697 13.912 11.123 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.655 13.866 6.983 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.182 13.575 7.915 1.00 0.00 H new ATOM 74 N SER A 19 -0.583 16.091 10.706 1.00 0.00 N ATOM 75 CA SER A 19 -0.428 17.540 10.852 1.00 0.00 C ATOM 76 C SER A 19 -1.623 18.147 11.585 1.00 0.00 C ATOM 77 O SER A 19 -2.317 19.027 11.072 1.00 0.00 O ATOM 78 CB SER A 19 -0.193 18.223 9.493 1.00 0.00 C ATOM 79 OG SER A 19 -1.058 17.729 8.486 1.00 0.00 O ATOM 0 H SER A 19 0.244 15.559 10.976 1.00 0.00 H new ATOM 0 HA SER A 19 0.460 17.719 11.459 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.339 19.298 9.599 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.842 18.071 9.187 1.00 0.00 H new ATOM 0 HG SER A 19 -1.901 17.438 8.893 1.00 0.00 H new ATOM 85 N GLU A 20 -1.858 17.649 12.787 1.00 0.00 N ATOM 86 CA GLU A 20 -2.963 18.103 13.610 1.00 0.00 C ATOM 87 C GLU A 20 -2.441 19.030 14.696 1.00 0.00 C ATOM 88 O GLU A 20 -1.563 18.654 15.477 1.00 0.00 O ATOM 89 CB GLU A 20 -3.684 16.900 14.221 1.00 0.00 C ATOM 90 CG GLU A 20 -4.093 15.871 13.181 1.00 0.00 C ATOM 91 CD GLU A 20 -4.692 14.625 13.791 1.00 0.00 C ATOM 92 OE1 GLU A 20 -3.950 13.861 14.436 1.00 0.00 O ATOM 93 OE2 GLU A 20 -5.904 14.393 13.608 1.00 0.00 O ATOM 0 H GLU A 20 -1.289 16.920 13.218 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.676 18.653 12.996 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.034 16.428 14.957 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.571 17.245 14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.815 16.319 12.499 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.221 15.596 12.587 1.00 0.00 H new ATOM 100 N GLY A 21 -2.956 20.247 14.719 1.00 0.00 N ATOM 101 CA GLY A 21 -2.465 21.243 15.648 1.00 0.00 C ATOM 102 C GLY A 21 -1.322 22.043 15.059 1.00 0.00 C ATOM 103 O GLY A 21 -0.770 22.931 15.708 1.00 0.00 O ATOM 0 H GLY A 21 -3.709 20.565 14.109 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.277 21.916 15.922 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.133 20.754 16.564 1.00 0.00 H new ATOM 107 N THR A 22 -0.981 21.726 13.818 1.00 0.00 N ATOM 108 CA THR A 22 0.104 22.389 13.115 1.00 0.00 C ATOM 109 C THR A 22 -0.157 22.377 11.610 1.00 0.00 C ATOM 110 O THR A 22 -0.568 21.358 11.045 1.00 0.00 O ATOM 111 CB THR A 22 1.469 21.727 13.423 1.00 0.00 C ATOM 112 OG1 THR A 22 2.508 22.345 12.650 1.00 0.00 O ATOM 113 CG2 THR A 22 1.441 20.229 13.139 1.00 0.00 C ATOM 0 H THR A 22 -1.449 21.003 13.272 1.00 0.00 H new ATOM 0 HA THR A 22 0.145 23.421 13.465 1.00 0.00 H new ATOM 0 HB THR A 22 1.671 21.869 14.485 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.366 21.919 12.855 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.416 19.797 13.366 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.680 19.755 13.760 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.207 20.062 12.088 1.00 0.00 H new ATOM 121 N GLY A 23 0.060 23.520 10.973 1.00 0.00 N ATOM 122 CA GLY A 23 -0.160 23.636 9.548 1.00 0.00 C ATOM 123 C GLY A 23 0.910 22.932 8.740 1.00 0.00 C ATOM 124 O GLY A 23 1.986 23.492 8.507 1.00 0.00 O ATOM 0 H GLY A 23 0.387 24.374 11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.135 23.217 9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.186 24.690 9.272 1.00 0.00 H new ATOM 128 N VAL A 24 0.614 21.695 8.331 1.00 0.00 N ATOM 129 CA VAL A 24 1.515 20.881 7.511 1.00 0.00 C ATOM 130 C VAL A 24 2.719 20.392 8.318 1.00 0.00 C ATOM 131 O VAL A 24 3.448 21.179 8.922 1.00 0.00 O ATOM 132 CB VAL A 24 2.004 21.632 6.248 1.00 0.00 C ATOM 133 CG1 VAL A 24 2.918 20.749 5.415 1.00 0.00 C ATOM 134 CG2 VAL A 24 0.824 22.110 5.415 1.00 0.00 C ATOM 0 H VAL A 24 -0.263 21.228 8.561 1.00 0.00 H new ATOM 0 HA VAL A 24 0.932 20.019 7.186 1.00 0.00 H new ATOM 0 HB VAL A 24 2.572 22.504 6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.249 21.297 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.785 20.460 6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.377 19.855 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.190 22.635 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.226 21.253 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.209 22.785 6.010 1.00 0.00 H new ATOM 144 N ALA A 25 2.915 19.080 8.336 1.00 0.00 N ATOM 145 CA ALA A 25 4.038 18.495 9.056 1.00 0.00 C ATOM 146 C ALA A 25 4.831 17.542 8.169 1.00 0.00 C ATOM 147 O ALA A 25 5.970 17.829 7.803 1.00 0.00 O ATOM 148 CB ALA A 25 3.556 17.781 10.313 1.00 0.00 C ATOM 0 H ALA A 25 2.315 18.404 7.863 1.00 0.00 H new ATOM 0 HA ALA A 25 4.703 19.307 9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.409 17.351 10.837 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.051 18.494 10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.862 16.987 10.037 1.00 0.00 H new ATOM 154 N LEU A 26 4.219 16.418 7.815 1.00 0.00 N ATOM 155 CA LEU A 26 4.877 15.413 6.979 1.00 0.00 C ATOM 156 C LEU A 26 5.053 15.938 5.566 1.00 0.00 C ATOM 157 O LEU A 26 5.931 15.505 4.821 1.00 0.00 O ATOM 158 CB LEU A 26 4.054 14.118 6.896 1.00 0.00 C ATOM 159 CG LEU A 26 3.398 13.632 8.191 1.00 0.00 C ATOM 160 CD1 LEU A 26 2.089 14.369 8.446 1.00 0.00 C ATOM 161 CD2 LEU A 26 3.154 12.133 8.122 1.00 0.00 C ATOM 0 H LEU A 26 3.268 16.177 8.092 1.00 0.00 H new ATOM 0 HA LEU A 26 5.843 15.202 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.271 14.261 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.705 13.325 6.527 1.00 0.00 H new ATOM 0 HG LEU A 26 4.074 13.843 9.019 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.642 14.006 9.372 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.284 15.438 8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.404 14.190 7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.687 11.797 9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.496 11.910 7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.104 11.616 7.986 1.00 0.00 H new ATOM 173 N GLY A 27 4.208 16.888 5.219 1.00 0.00 N ATOM 174 CA GLY A 27 4.098 17.328 3.851 1.00 0.00 C ATOM 175 C GLY A 27 2.843 16.758 3.238 1.00 0.00 C ATOM 176 O GLY A 27 2.795 15.578 2.913 1.00 0.00 O ATOM 0 H GLY A 27 3.588 17.369 5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.074 18.417 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.971 17.007 3.283 1.00 0.00 H new ATOM 180 N ARG A 28 1.815 17.584 3.109 1.00 0.00 N ATOM 181 CA ARG A 28 0.519 17.112 2.663 1.00 0.00 C ATOM 182 C ARG A 28 0.497 16.829 1.166 1.00 0.00 C ATOM 183 O ARG A 28 -0.473 16.291 0.645 1.00 0.00 O ATOM 184 CB ARG A 28 -0.579 18.102 3.056 1.00 0.00 C ATOM 185 CG ARG A 28 -0.258 19.547 2.755 1.00 0.00 C ATOM 186 CD ARG A 28 -0.655 19.882 1.333 1.00 0.00 C ATOM 187 NE ARG A 28 -0.215 21.215 0.925 1.00 0.00 N ATOM 188 CZ ARG A 28 0.179 21.526 -0.307 1.00 0.00 C ATOM 189 NH1 ARG A 28 0.206 20.592 -1.253 1.00 0.00 N ATOM 190 NH2 ARG A 28 0.536 22.771 -0.594 1.00 0.00 N ATOM 0 H ARG A 28 1.856 18.584 3.308 1.00 0.00 H new ATOM 0 HA ARG A 28 0.324 16.165 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.498 17.831 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.776 18.002 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.787 20.198 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.808 19.728 2.896 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.230 19.140 0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.739 19.816 1.237 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.210 21.953 1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.076 19.636 -1.034 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.508 20.831 -2.197 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.508 23.489 0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.838 23.010 -1.538 1.00 0.00 H new ATOM 204 N ASN A 29 1.560 17.209 0.479 1.00 0.00 N ATOM 205 CA ASN A 29 1.710 16.867 -0.930 1.00 0.00 C ATOM 206 C ASN A 29 2.539 15.595 -1.055 1.00 0.00 C ATOM 207 O ASN A 29 3.421 15.338 -0.235 1.00 0.00 O ATOM 208 CB ASN A 29 2.344 18.019 -1.729 1.00 0.00 C ATOM 209 CG ASN A 29 3.815 18.224 -1.429 1.00 0.00 C ATOM 210 OD1 ASN A 29 4.178 18.927 -0.487 1.00 0.00 O ATOM 211 ND2 ASN A 29 4.671 17.639 -2.249 1.00 0.00 N ATOM 0 H ASN A 29 2.330 17.752 0.869 1.00 0.00 H new ATOM 0 HA ASN A 29 0.721 16.695 -1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.222 17.822 -2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.805 18.941 -1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.674 17.763 -2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.328 17.064 -3.018 1.00 0.00 H new ATOM 218 N GLN A 30 2.265 14.817 -2.094 1.00 0.00 N ATOM 219 CA GLN A 30 2.740 13.440 -2.166 1.00 0.00 C ATOM 220 C GLN A 30 4.173 13.326 -2.691 1.00 0.00 C ATOM 221 O GLN A 30 4.474 13.730 -3.816 1.00 0.00 O ATOM 222 CB GLN A 30 1.806 12.628 -3.055 1.00 0.00 C ATOM 223 CG GLN A 30 2.198 11.171 -3.180 1.00 0.00 C ATOM 224 CD GLN A 30 1.343 10.424 -4.177 1.00 0.00 C ATOM 225 OE1 GLN A 30 1.797 9.470 -4.797 1.00 0.00 O ATOM 226 NE2 GLN A 30 0.111 10.863 -4.353 1.00 0.00 N ATOM 0 H GLN A 30 1.716 15.116 -2.900 1.00 0.00 H new ATOM 0 HA GLN A 30 2.743 13.049 -1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.794 12.690 -2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.784 13.076 -4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.243 11.104 -3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.116 10.691 -2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.228 11.661 -3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.503 10.404 -5.026 1.00 0.00 H new ATOM 235 N PRO A 31 5.072 12.774 -1.858 1.00 0.00 N ATOM 236 CA PRO A 31 6.439 12.425 -2.248 1.00 0.00 C ATOM 237 C PRO A 31 6.497 11.109 -3.039 1.00 0.00 C ATOM 238 O PRO A 31 5.476 10.633 -3.544 1.00 0.00 O ATOM 239 CB PRO A 31 7.184 12.283 -0.908 1.00 0.00 C ATOM 240 CG PRO A 31 6.197 12.644 0.158 1.00 0.00 C ATOM 241 CD PRO A 31 4.835 12.470 -0.447 1.00 0.00 C ATOM 0 HA PRO A 31 6.875 13.177 -2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.550 11.265 -0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.052 12.941 -0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.318 12.004 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.345 13.671 0.492 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.456 11.457 -0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.105 13.147 -0.003 1.00 0.00 H new ATOM 249 N LEU A 32 7.699 10.546 -3.161 1.00 0.00 N ATOM 250 CA LEU A 32 7.912 9.274 -3.855 1.00 0.00 C ATOM 251 C LEU A 32 6.976 8.188 -3.319 1.00 0.00 C ATOM 252 O LEU A 32 6.847 8.012 -2.103 1.00 0.00 O ATOM 253 CB LEU A 32 9.362 8.829 -3.670 1.00 0.00 C ATOM 254 CG LEU A 32 9.753 7.547 -4.404 1.00 0.00 C ATOM 255 CD1 LEU A 32 9.996 7.826 -5.879 1.00 0.00 C ATOM 256 CD2 LEU A 32 10.981 6.920 -3.766 1.00 0.00 C ATOM 0 H LEU A 32 8.552 10.957 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 32 7.697 9.422 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.017 9.633 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.548 8.689 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 32 8.927 6.840 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.273 6.900 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.087 8.226 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.802 8.552 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.244 6.008 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.814 7.622 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.767 6.680 -2.725 1.00 0.00 H new ATOM 268 N LYS A 33 6.330 7.459 -4.226 1.00 0.00 N ATOM 269 CA LYS A 33 5.429 6.380 -3.828 1.00 0.00 C ATOM 270 C LYS A 33 6.198 5.108 -3.491 1.00 0.00 C ATOM 271 O LYS A 33 6.433 4.257 -4.349 1.00 0.00 O ATOM 272 CB LYS A 33 4.354 6.091 -4.891 1.00 0.00 C ATOM 273 CG LYS A 33 4.827 6.163 -6.336 1.00 0.00 C ATOM 274 CD LYS A 33 4.541 7.532 -6.930 1.00 0.00 C ATOM 275 CE LYS A 33 3.049 7.798 -7.003 1.00 0.00 C ATOM 276 NZ LYS A 33 2.748 9.231 -7.245 1.00 0.00 N ATOM 0 H LYS A 33 6.412 7.594 -5.234 1.00 0.00 H new ATOM 0 HA LYS A 33 4.917 6.724 -2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.946 5.097 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.537 6.800 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.896 5.957 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.327 5.394 -6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.021 8.301 -6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.974 7.596 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.613 7.197 -7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.579 7.482 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.847 9.315 -7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.676 9.729 -6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.510 9.655 -7.812 1.00 0.00 H new ATOM 290 N LYS A 34 6.606 5.007 -2.236 1.00 0.00 N ATOM 291 CA LYS A 34 7.276 3.821 -1.727 1.00 0.00 C ATOM 292 C LYS A 34 6.300 2.915 -0.985 1.00 0.00 C ATOM 293 O LYS A 34 6.521 1.713 -0.844 1.00 0.00 O ATOM 294 CB LYS A 34 8.432 4.202 -0.800 1.00 0.00 C ATOM 295 CG LYS A 34 8.300 5.555 -0.112 1.00 0.00 C ATOM 296 CD LYS A 34 7.111 5.559 0.821 1.00 0.00 C ATOM 297 CE LYS A 34 6.761 6.959 1.293 1.00 0.00 C ATOM 298 NZ LYS A 34 5.678 6.942 2.309 1.00 0.00 N ATOM 0 H LYS A 34 6.482 5.744 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 34 7.675 3.278 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.530 3.432 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.356 4.196 -1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.209 5.776 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.186 6.340 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.251 5.122 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.326 4.929 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.648 7.433 1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.451 7.563 0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.923 7.597 2.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.291 5.980 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.061 7.237 3.230 1.00 0.00 H new ATOM 312 N GLU A 35 5.248 3.539 -0.490 1.00 0.00 N ATOM 313 CA GLU A 35 4.198 2.879 0.290 1.00 0.00 C ATOM 314 C GLU A 35 3.654 1.630 -0.405 1.00 0.00 C ATOM 315 O GLU A 35 3.629 1.535 -1.634 1.00 0.00 O ATOM 316 CB GLU A 35 3.045 3.853 0.520 1.00 0.00 C ATOM 317 CG GLU A 35 2.488 3.847 1.936 1.00 0.00 C ATOM 318 CD GLU A 35 3.212 4.818 2.841 1.00 0.00 C ATOM 319 OE1 GLU A 35 4.432 4.652 3.042 1.00 0.00 O ATOM 320 OE2 GLU A 35 2.568 5.764 3.342 1.00 0.00 O ATOM 0 H GLU A 35 5.089 4.538 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 35 4.644 2.572 1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.384 4.861 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.240 3.614 -0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.428 4.101 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.565 2.842 2.350 1.00 0.00 H new ATOM 327 N LYS A 36 3.190 0.690 0.407 1.00 0.00 N ATOM 328 CA LYS A 36 2.651 -0.570 -0.079 1.00 0.00 C ATOM 329 C LYS A 36 1.128 -0.475 -0.177 1.00 0.00 C ATOM 330 O LYS A 36 0.516 0.392 0.448 1.00 0.00 O ATOM 331 CB LYS A 36 3.016 -1.717 0.883 1.00 0.00 C ATOM 332 CG LYS A 36 4.431 -1.670 1.451 1.00 0.00 C ATOM 333 CD LYS A 36 4.532 -0.730 2.635 1.00 0.00 C ATOM 334 CE LYS A 36 5.979 -0.481 2.972 1.00 0.00 C ATOM 335 NZ LYS A 36 6.141 0.093 4.333 1.00 0.00 N ATOM 0 H LYS A 36 3.177 0.781 1.423 1.00 0.00 H new ATOM 0 HA LYS A 36 3.078 -0.772 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.309 -1.711 1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.884 -2.664 0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.734 -2.672 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.124 -1.350 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.036 0.213 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.018 -1.159 3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.534 -1.417 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.411 0.199 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.151 0.249 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.633 0.999 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.752 -0.567 5.037 1.00 0.00 H new ATOM 349 N PRO A 37 0.491 -1.350 -0.968 1.00 0.00 N ATOM 350 CA PRO A 37 -0.966 -1.418 -1.026 1.00 0.00 C ATOM 351 C PRO A 37 -1.544 -1.922 0.292 1.00 0.00 C ATOM 352 O PRO A 37 -1.045 -2.890 0.872 1.00 0.00 O ATOM 353 CB PRO A 37 -1.259 -2.397 -2.160 1.00 0.00 C ATOM 354 CG PRO A 37 0.040 -2.596 -2.873 1.00 0.00 C ATOM 355 CD PRO A 37 1.122 -2.324 -1.867 1.00 0.00 C ATOM 0 HA PRO A 37 -1.417 -0.441 -1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.641 -3.341 -1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.018 -1.999 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.118 -3.611 -3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.123 -1.921 -3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.420 -3.229 -1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.019 -1.920 -2.336 1.00 0.00 H new ATOM 363 N LYS A 38 -2.598 -1.274 0.754 1.00 0.00 N ATOM 364 CA LYS A 38 -3.089 -1.482 2.105 1.00 0.00 C ATOM 365 C LYS A 38 -4.445 -2.179 2.121 1.00 0.00 C ATOM 366 O LYS A 38 -5.304 -1.870 1.300 1.00 0.00 O ATOM 367 CB LYS A 38 -3.180 -0.130 2.800 1.00 0.00 C ATOM 368 CG LYS A 38 -3.539 -0.194 4.273 1.00 0.00 C ATOM 369 CD LYS A 38 -3.511 1.193 4.884 1.00 0.00 C ATOM 370 CE LYS A 38 -4.504 2.117 4.200 1.00 0.00 C ATOM 371 NZ LYS A 38 -4.224 3.544 4.514 1.00 0.00 N ATOM 0 H LYS A 38 -3.133 -0.596 0.211 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.394 -2.135 2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.223 0.381 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.924 0.478 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.530 -0.632 4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.838 -0.843 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.743 1.129 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.507 1.609 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.461 1.965 3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.516 1.865 4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.059 4.120 4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.004 3.640 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.413 3.871 3.951 1.00 0.00 H new ATOM 385 N TRP A 39 -4.600 -3.082 3.104 1.00 0.00 N ATOM 386 CA TRP A 39 -5.815 -3.905 3.314 1.00 0.00 C ATOM 387 C TRP A 39 -5.439 -5.272 3.892 1.00 0.00 C ATOM 388 O TRP A 39 -6.298 -6.014 4.360 1.00 0.00 O ATOM 389 CB TRP A 39 -6.627 -4.132 2.030 1.00 0.00 C ATOM 390 CG TRP A 39 -6.076 -5.197 1.126 1.00 0.00 C ATOM 391 CD1 TRP A 39 -4.856 -5.206 0.514 1.00 0.00 C ATOM 392 CD2 TRP A 39 -6.739 -6.400 0.718 1.00 0.00 C ATOM 393 NE1 TRP A 39 -4.724 -6.343 -0.243 1.00 0.00 N ATOM 394 CE2 TRP A 39 -5.863 -7.089 -0.137 1.00 0.00 C ATOM 395 CE3 TRP A 39 -7.986 -6.964 0.996 1.00 0.00 C ATOM 396 CZ2 TRP A 39 -6.195 -8.308 -0.723 1.00 0.00 C ATOM 397 CZ3 TRP A 39 -8.315 -8.176 0.418 1.00 0.00 C ATOM 398 CH2 TRP A 39 -7.422 -8.836 -0.432 1.00 0.00 C ATOM 0 H TRP A 39 -3.871 -3.268 3.793 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.437 -3.342 4.010 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.648 -4.397 2.303 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.678 -3.194 1.477 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.107 -4.434 0.611 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.905 -6.592 -0.797 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.682 -6.462 1.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.508 -8.817 -1.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -9.277 -8.620 0.626 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.707 -9.782 -0.867 1.00 0.00 H new ATOM 409 N LYS A 40 -4.151 -5.601 3.848 1.00 0.00 N ATOM 410 CA LYS A 40 -3.670 -6.896 4.301 1.00 0.00 C ATOM 411 C LYS A 40 -2.789 -6.751 5.538 1.00 0.00 C ATOM 412 O LYS A 40 -2.437 -5.637 5.935 1.00 0.00 O ATOM 413 CB LYS A 40 -2.904 -7.603 3.165 1.00 0.00 C ATOM 414 CG LYS A 40 -1.890 -6.724 2.433 1.00 0.00 C ATOM 415 CD LYS A 40 -0.705 -6.356 3.305 1.00 0.00 C ATOM 416 CE LYS A 40 0.324 -5.551 2.534 1.00 0.00 C ATOM 417 NZ LYS A 40 1.456 -5.140 3.402 1.00 0.00 N ATOM 0 H LYS A 40 -3.419 -4.981 3.500 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.530 -7.506 4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.383 -8.467 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.625 -7.982 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.535 -7.247 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.383 -5.814 2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.049 -5.781 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.242 -7.263 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.700 -6.143 1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.149 -4.666 2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.141 -4.592 2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.099 -4.554 4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.922 -5.986 3.788 1.00 0.00 H new ATOM 431 N SER A 41 -2.445 -7.880 6.138 1.00 0.00 N ATOM 432 CA SER A 41 -1.619 -7.905 7.336 1.00 0.00 C ATOM 433 C SER A 41 -0.222 -7.370 7.041 1.00 0.00 C ATOM 434 O SER A 41 0.400 -7.744 6.045 1.00 0.00 O ATOM 435 CB SER A 41 -1.510 -9.345 7.833 1.00 0.00 C ATOM 436 OG SER A 41 -2.789 -9.939 7.952 1.00 0.00 O ATOM 0 H SER A 41 -2.729 -8.803 5.810 1.00 0.00 H new ATOM 0 HA SER A 41 -2.080 -7.274 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.898 -9.926 7.143 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.006 -9.363 8.799 1.00 0.00 H new ATOM 0 HG SER A 41 -2.693 -10.861 8.270 1.00 0.00 H new ATOM 442 N ASP A 42 0.262 -6.486 7.907 1.00 0.00 N ATOM 443 CA ASP A 42 1.612 -5.955 7.786 1.00 0.00 C ATOM 444 C ASP A 42 2.612 -7.042 8.145 1.00 0.00 C ATOM 445 O ASP A 42 3.716 -7.095 7.601 1.00 0.00 O ATOM 446 CB ASP A 42 1.799 -4.725 8.681 1.00 0.00 C ATOM 447 CG ASP A 42 1.838 -5.059 10.159 1.00 0.00 C ATOM 448 OD1 ASP A 42 0.833 -5.582 10.682 1.00 0.00 O ATOM 449 OD2 ASP A 42 2.867 -4.774 10.807 1.00 0.00 O ATOM 0 H ASP A 42 -0.263 -6.122 8.702 1.00 0.00 H new ATOM 0 HA ASP A 42 1.780 -5.639 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.725 -4.221 8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.986 -4.023 8.496 1.00 0.00 H new ATOM 454 N TYR A 43 2.206 -7.914 9.057 1.00 0.00 N ATOM 455 CA TYR A 43 2.961 -9.121 9.354 1.00 0.00 C ATOM 456 C TYR A 43 2.039 -10.332 9.307 1.00 0.00 C ATOM 457 O TYR A 43 1.480 -10.742 10.329 1.00 0.00 O ATOM 458 CB TYR A 43 3.636 -9.038 10.723 1.00 0.00 C ATOM 459 CG TYR A 43 4.610 -10.174 10.989 1.00 0.00 C ATOM 460 CD1 TYR A 43 4.192 -11.370 11.573 1.00 0.00 C ATOM 461 CD2 TYR A 43 5.951 -10.049 10.657 1.00 0.00 C ATOM 462 CE1 TYR A 43 5.083 -12.397 11.810 1.00 0.00 C ATOM 463 CE2 TYR A 43 6.847 -11.075 10.892 1.00 0.00 C ATOM 464 CZ TYR A 43 6.408 -12.246 11.470 1.00 0.00 C ATOM 465 OH TYR A 43 7.297 -13.270 11.706 1.00 0.00 O ATOM 0 H TYR A 43 1.353 -7.806 9.606 1.00 0.00 H new ATOM 0 HA TYR A 43 3.741 -9.223 8.600 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.167 -8.089 10.800 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.869 -9.038 11.498 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.154 -11.494 11.844 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.302 -9.132 10.206 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.741 -13.317 12.261 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.887 -10.959 10.624 1.00 0.00 H new ATOM 0 HH TYR A 43 8.191 -13.002 11.407 1.00 0.00 H new ATOM 475 N PRO A 44 1.829 -10.895 8.116 1.00 0.00 N ATOM 476 CA PRO A 44 1.076 -12.129 7.959 1.00 0.00 C ATOM 477 C PRO A 44 1.916 -13.325 8.385 1.00 0.00 C ATOM 478 O PRO A 44 3.091 -13.426 8.035 1.00 0.00 O ATOM 479 CB PRO A 44 0.763 -12.189 6.458 1.00 0.00 C ATOM 480 CG PRO A 44 1.222 -10.883 5.897 1.00 0.00 C ATOM 481 CD PRO A 44 2.290 -10.386 6.823 1.00 0.00 C ATOM 0 HA PRO A 44 0.176 -12.154 8.573 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.280 -13.023 5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.303 -12.336 6.286 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.610 -11.008 4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.397 -10.173 5.837 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.273 -10.774 6.558 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.364 -9.299 6.815 1.00 0.00 H new ATOM 489 N MET A 45 1.320 -14.212 9.159 1.00 0.00 N ATOM 490 CA MET A 45 2.034 -15.377 9.653 1.00 0.00 C ATOM 491 C MET A 45 1.644 -16.618 8.869 1.00 0.00 C ATOM 492 O MET A 45 2.347 -17.033 7.954 1.00 0.00 O ATOM 493 CB MET A 45 1.756 -15.582 11.142 1.00 0.00 C ATOM 494 CG MET A 45 2.403 -14.539 12.024 1.00 0.00 C ATOM 495 SD MET A 45 1.941 -14.702 13.759 1.00 0.00 S ATOM 496 CE MET A 45 2.591 -16.328 14.138 1.00 0.00 C ATOM 0 H MET A 45 0.347 -14.150 9.459 1.00 0.00 H new ATOM 0 HA MET A 45 3.102 -15.205 9.518 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.679 -15.569 11.308 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.112 -16.569 11.438 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.487 -14.615 11.933 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.123 -13.547 11.670 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.641 -16.457 15.219 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.938 -17.089 13.712 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.590 -16.428 13.714 1.00 0.00 H new ATOM 506 N THR A 46 0.525 -17.209 9.240 1.00 0.00 N ATOM 507 CA THR A 46 0.020 -18.380 8.556 1.00 0.00 C ATOM 508 C THR A 46 -1.311 -18.064 7.883 1.00 0.00 C ATOM 509 O THR A 46 -1.769 -16.921 7.934 1.00 0.00 O ATOM 510 CB THR A 46 -0.137 -19.545 9.543 1.00 0.00 C ATOM 511 OG1 THR A 46 -1.057 -19.188 10.586 1.00 0.00 O ATOM 512 CG2 THR A 46 1.210 -19.897 10.154 1.00 0.00 C ATOM 0 H THR A 46 -0.055 -16.893 10.018 1.00 0.00 H new ATOM 0 HA THR A 46 0.734 -18.674 7.787 1.00 0.00 H new ATOM 0 HB THR A 46 -0.524 -20.409 9.003 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.275 -19.983 11.116 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.087 -20.725 10.853 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.903 -20.188 9.364 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.607 -19.031 10.684 1.00 0.00 H new ATOM 520 N ASP A 47 -1.923 -19.067 7.264 1.00 0.00 N ATOM 521 CA ASP A 47 -3.211 -18.902 6.586 1.00 0.00 C ATOM 522 C ASP A 47 -4.246 -18.282 7.514 1.00 0.00 C ATOM 523 O ASP A 47 -4.904 -17.307 7.155 1.00 0.00 O ATOM 524 CB ASP A 47 -3.730 -20.247 6.070 1.00 0.00 C ATOM 525 CG ASP A 47 -5.077 -20.128 5.374 1.00 0.00 C ATOM 526 OD1 ASP A 47 -5.099 -19.898 4.149 1.00 0.00 O ATOM 527 OD2 ASP A 47 -6.120 -20.285 6.044 1.00 0.00 O ATOM 0 H ASP A 47 -1.546 -20.014 7.216 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.051 -18.232 5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.003 -20.670 5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.817 -20.943 6.905 1.00 0.00 H new ATOM 532 N GLY A 48 -4.369 -18.845 8.711 1.00 0.00 N ATOM 533 CA GLY A 48 -5.322 -18.335 9.682 1.00 0.00 C ATOM 534 C GLY A 48 -5.083 -16.874 10.003 1.00 0.00 C ATOM 535 O GLY A 48 -6.006 -16.065 9.978 1.00 0.00 O ATOM 0 H GLY A 48 -3.825 -19.647 9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.334 -18.460 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.255 -18.922 10.598 1.00 0.00 H new ATOM 539 N GLN A 49 -3.834 -16.538 10.277 1.00 0.00 N ATOM 540 CA GLN A 49 -3.452 -15.163 10.578 1.00 0.00 C ATOM 541 C GLN A 49 -3.735 -14.251 9.400 1.00 0.00 C ATOM 542 O GLN A 49 -4.275 -13.155 9.564 1.00 0.00 O ATOM 543 CB GLN A 49 -1.973 -15.113 10.923 1.00 0.00 C ATOM 544 CG GLN A 49 -1.647 -15.902 12.167 1.00 0.00 C ATOM 545 CD GLN A 49 -2.100 -15.200 13.432 1.00 0.00 C ATOM 546 OE1 GLN A 49 -2.148 -13.971 13.484 1.00 0.00 O ATOM 547 NE2 GLN A 49 -2.431 -15.966 14.455 1.00 0.00 N ATOM 0 H GLN A 49 -3.060 -17.202 10.298 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.041 -14.817 11.427 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.394 -15.503 10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.670 -14.075 11.064 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.122 -16.881 12.108 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.571 -16.072 12.214 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.377 -16.981 14.370 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.741 -15.543 15.330 1.00 0.00 H new ATOM 556 N LEU A 50 -3.361 -14.718 8.218 1.00 0.00 N ATOM 557 CA LEU A 50 -3.577 -13.975 6.992 1.00 0.00 C ATOM 558 C LEU A 50 -5.055 -13.695 6.790 1.00 0.00 C ATOM 559 O LEU A 50 -5.457 -12.544 6.705 1.00 0.00 O ATOM 560 CB LEU A 50 -3.028 -14.750 5.788 1.00 0.00 C ATOM 561 CG LEU A 50 -3.304 -14.113 4.424 1.00 0.00 C ATOM 562 CD1 LEU A 50 -2.577 -12.781 4.293 1.00 0.00 C ATOM 563 CD2 LEU A 50 -2.911 -15.061 3.300 1.00 0.00 C ATOM 0 H LEU A 50 -2.902 -15.619 8.085 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.046 -13.027 7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.950 -14.861 5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.455 -15.753 5.796 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.374 -13.921 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.787 -12.346 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.919 -12.102 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.504 -12.941 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.115 -14.590 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.848 -15.291 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.488 -15.982 3.382 1.00 0.00 H new ATOM 575 N ARG A 51 -5.860 -14.750 6.754 1.00 0.00 N ATOM 576 CA ARG A 51 -7.276 -14.623 6.433 1.00 0.00 C ATOM 577 C ARG A 51 -8.025 -13.789 7.471 1.00 0.00 C ATOM 578 O ARG A 51 -8.806 -12.907 7.110 1.00 0.00 O ATOM 579 CB ARG A 51 -7.919 -16.007 6.277 1.00 0.00 C ATOM 580 CG ARG A 51 -7.989 -16.825 7.557 1.00 0.00 C ATOM 581 CD ARG A 51 -8.372 -18.264 7.267 1.00 0.00 C ATOM 582 NE ARG A 51 -9.560 -18.351 6.418 1.00 0.00 N ATOM 583 CZ ARG A 51 -9.592 -19.007 5.259 1.00 0.00 C ATOM 584 NH1 ARG A 51 -8.520 -19.670 4.836 1.00 0.00 N ATOM 585 NH2 ARG A 51 -10.698 -19.006 4.530 1.00 0.00 N ATOM 0 H ARG A 51 -5.555 -15.705 6.944 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.350 -14.095 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.929 -15.881 5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.358 -16.571 5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.024 -16.797 8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.717 -16.382 8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.539 -18.770 6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.557 -18.787 8.205 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.411 -17.884 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.670 -19.677 5.399 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.548 -20.171 3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.523 -18.503 4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.724 -19.508 3.642 1.00 0.00 H new ATOM 599 N SER A 52 -7.774 -14.046 8.752 1.00 0.00 N ATOM 600 CA SER A 52 -8.470 -13.339 9.812 1.00 0.00 C ATOM 601 C SER A 52 -8.124 -11.856 9.798 1.00 0.00 C ATOM 602 O SER A 52 -9.015 -11.008 9.748 1.00 0.00 O ATOM 603 CB SER A 52 -8.137 -13.954 11.172 1.00 0.00 C ATOM 604 OG SER A 52 -8.473 -15.332 11.206 1.00 0.00 O ATOM 0 H SER A 52 -7.096 -14.736 9.076 1.00 0.00 H new ATOM 0 HA SER A 52 -9.542 -13.437 9.638 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.074 -13.831 11.380 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.679 -13.425 11.956 1.00 0.00 H new ATOM 0 HG SER A 52 -7.751 -15.855 10.799 1.00 0.00 H new ATOM 610 N LYS A 53 -6.834 -11.541 9.818 1.00 0.00 N ATOM 611 CA LYS A 53 -6.415 -10.146 9.797 1.00 0.00 C ATOM 612 C LYS A 53 -6.747 -9.487 8.457 1.00 0.00 C ATOM 613 O LYS A 53 -7.003 -8.286 8.401 1.00 0.00 O ATOM 614 CB LYS A 53 -4.923 -10.017 10.110 1.00 0.00 C ATOM 615 CG LYS A 53 -4.641 -9.496 11.513 1.00 0.00 C ATOM 616 CD LYS A 53 -5.193 -10.421 12.588 1.00 0.00 C ATOM 617 CE LYS A 53 -4.359 -11.684 12.734 1.00 0.00 C ATOM 618 NZ LYS A 53 -2.972 -11.385 13.186 1.00 0.00 N ATOM 0 H LYS A 53 -6.073 -12.219 9.848 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.972 -9.622 10.574 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.449 -10.991 9.990 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.464 -9.347 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.565 -9.385 11.649 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.081 -8.505 11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.222 -9.893 13.541 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.220 -10.691 12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.837 -12.354 13.449 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.324 -12.209 11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.535 -12.251 13.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.412 -11.037 12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.998 -10.659 13.930 1.00 0.00 H new ATOM 632 N ARG A 54 -6.758 -10.281 7.387 1.00 0.00 N ATOM 633 CA ARG A 54 -7.136 -9.800 6.056 1.00 0.00 C ATOM 634 C ARG A 54 -8.492 -9.118 6.098 1.00 0.00 C ATOM 635 O ARG A 54 -8.635 -7.978 5.670 1.00 0.00 O ATOM 636 CB ARG A 54 -7.208 -10.971 5.077 1.00 0.00 C ATOM 637 CG ARG A 54 -7.679 -10.610 3.679 1.00 0.00 C ATOM 638 CD ARG A 54 -8.158 -11.853 2.946 1.00 0.00 C ATOM 639 NE ARG A 54 -9.209 -12.540 3.699 1.00 0.00 N ATOM 640 CZ ARG A 54 -9.599 -13.799 3.496 1.00 0.00 C ATOM 641 NH1 ARG A 54 -9.052 -14.535 2.530 1.00 0.00 N ATOM 642 NH2 ARG A 54 -10.546 -14.316 4.267 1.00 0.00 N ATOM 0 H ARG A 54 -6.507 -11.269 7.416 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.381 -9.085 5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.220 -11.426 5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.878 -11.727 5.486 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.486 -9.880 3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.866 -10.143 3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.535 -11.575 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.319 -12.530 2.787 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.679 -12.015 4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.326 -14.137 1.935 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.360 -15.497 2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.967 -13.752 5.005 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.853 -15.278 4.122 1.00 0.00 H new ATOM 656 N ASP A 55 -9.482 -9.826 6.629 1.00 0.00 N ATOM 657 CA ASP A 55 -10.843 -9.305 6.687 1.00 0.00 C ATOM 658 C ASP A 55 -10.920 -8.108 7.618 1.00 0.00 C ATOM 659 O ASP A 55 -11.562 -7.107 7.307 1.00 0.00 O ATOM 660 CB ASP A 55 -11.809 -10.385 7.159 1.00 0.00 C ATOM 661 CG ASP A 55 -12.091 -11.429 6.087 1.00 0.00 C ATOM 662 OD1 ASP A 55 -12.893 -11.143 5.176 1.00 0.00 O ATOM 663 OD2 ASP A 55 -11.519 -12.540 6.150 1.00 0.00 O ATOM 0 H ASP A 55 -9.369 -10.759 7.024 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.126 -8.989 5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.396 -10.877 8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.747 -9.920 7.464 1.00 0.00 H new ATOM 668 N GLU A 56 -10.268 -8.237 8.765 1.00 0.00 N ATOM 669 CA GLU A 56 -10.180 -7.151 9.747 1.00 0.00 C ATOM 670 C GLU A 56 -9.693 -5.840 9.120 1.00 0.00 C ATOM 671 O GLU A 56 -10.330 -4.796 9.271 1.00 0.00 O ATOM 672 CB GLU A 56 -9.239 -7.558 10.879 1.00 0.00 C ATOM 673 CG GLU A 56 -9.768 -8.701 11.730 1.00 0.00 C ATOM 674 CD GLU A 56 -10.950 -8.289 12.581 1.00 0.00 C ATOM 675 OE1 GLU A 56 -12.095 -8.295 12.074 1.00 0.00 O ATOM 676 OE2 GLU A 56 -10.740 -7.943 13.760 1.00 0.00 O ATOM 0 H GLU A 56 -9.785 -9.091 9.046 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.184 -6.977 10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.278 -7.847 10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.058 -6.694 11.518 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.061 -9.527 11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.970 -9.069 12.375 1.00 0.00 H new ATOM 683 N PHE A 57 -8.571 -5.898 8.417 1.00 0.00 N ATOM 684 CA PHE A 57 -8.018 -4.711 7.762 1.00 0.00 C ATOM 685 C PHE A 57 -8.873 -4.307 6.566 1.00 0.00 C ATOM 686 O PHE A 57 -9.051 -3.119 6.293 1.00 0.00 O ATOM 687 CB PHE A 57 -6.584 -4.962 7.307 1.00 0.00 C ATOM 688 CG PHE A 57 -5.585 -5.006 8.429 1.00 0.00 C ATOM 689 CD1 PHE A 57 -5.275 -3.855 9.137 1.00 0.00 C ATOM 690 CD2 PHE A 57 -4.947 -6.189 8.773 1.00 0.00 C ATOM 691 CE1 PHE A 57 -4.351 -3.883 10.164 1.00 0.00 C ATOM 692 CE2 PHE A 57 -4.023 -6.222 9.800 1.00 0.00 C ATOM 693 CZ PHE A 57 -3.726 -5.067 10.496 1.00 0.00 C ATOM 0 H PHE A 57 -8.024 -6.749 8.283 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.020 -3.899 8.489 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.546 -5.906 6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.294 -4.179 6.606 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.762 -2.925 8.883 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.175 -7.095 8.232 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.118 -2.979 10.706 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.534 -7.150 10.058 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.005 -5.091 11.300 1.00 0.00 H new ATOM 703 N TRP A 58 -9.386 -5.313 5.866 1.00 0.00 N ATOM 704 CA TRP A 58 -10.292 -5.120 4.729 1.00 0.00 C ATOM 705 C TRP A 58 -11.432 -4.166 5.104 1.00 0.00 C ATOM 706 O TRP A 58 -11.803 -3.282 4.332 1.00 0.00 O ATOM 707 CB TRP A 58 -10.871 -6.480 4.317 1.00 0.00 C ATOM 708 CG TRP A 58 -11.158 -6.679 2.852 1.00 0.00 C ATOM 709 CD1 TRP A 58 -11.448 -7.877 2.262 1.00 0.00 C ATOM 710 CD2 TRP A 58 -11.171 -5.705 1.792 1.00 0.00 C ATOM 711 NE1 TRP A 58 -11.659 -7.707 0.918 1.00 0.00 N ATOM 712 CE2 TRP A 58 -11.492 -6.389 0.602 1.00 0.00 C ATOM 713 CE3 TRP A 58 -10.953 -4.327 1.725 1.00 0.00 C ATOM 714 CZ2 TRP A 58 -11.595 -5.742 -0.627 1.00 0.00 C ATOM 715 CZ3 TRP A 58 -11.055 -3.690 0.504 1.00 0.00 C ATOM 716 CH2 TRP A 58 -11.375 -4.396 -0.656 1.00 0.00 C ATOM 0 H TRP A 58 -9.187 -6.293 6.069 1.00 0.00 H new ATOM 0 HA TRP A 58 -9.736 -4.683 3.899 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -10.175 -7.256 4.636 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -11.798 -6.636 4.869 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -11.503 -8.823 2.780 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -11.902 -8.447 0.259 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -10.708 -3.767 2.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -11.841 -6.287 -1.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.884 -2.625 0.446 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -11.450 -3.867 -1.595 1.00 0.00 H new ATOM 727 N ASP A 59 -11.962 -4.338 6.314 1.00 0.00 N ATOM 728 CA ASP A 59 -13.061 -3.506 6.812 1.00 0.00 C ATOM 729 C ASP A 59 -12.690 -2.029 6.822 1.00 0.00 C ATOM 730 O ASP A 59 -13.551 -1.160 6.692 1.00 0.00 O ATOM 731 CB ASP A 59 -13.447 -3.909 8.233 1.00 0.00 C ATOM 732 CG ASP A 59 -14.114 -5.267 8.321 1.00 0.00 C ATOM 733 OD1 ASP A 59 -15.104 -5.495 7.597 1.00 0.00 O ATOM 734 OD2 ASP A 59 -13.667 -6.106 9.133 1.00 0.00 O ATOM 0 H ASP A 59 -11.647 -5.050 6.973 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.900 -3.663 6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.553 -3.912 8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.119 -3.156 8.645 1.00 0.00 H new ATOM 739 N THR A 60 -11.406 -1.748 6.976 1.00 0.00 N ATOM 740 CA THR A 60 -10.939 -0.386 7.156 1.00 0.00 C ATOM 741 C THR A 60 -10.320 0.169 5.869 1.00 0.00 C ATOM 742 O THR A 60 -9.879 1.316 5.827 1.00 0.00 O ATOM 743 CB THR A 60 -9.893 -0.335 8.287 1.00 0.00 C ATOM 744 OG1 THR A 60 -10.253 -1.270 9.314 1.00 0.00 O ATOM 745 CG2 THR A 60 -9.801 1.059 8.891 1.00 0.00 C ATOM 0 H THR A 60 -10.666 -2.450 6.980 1.00 0.00 H new ATOM 0 HA THR A 60 -11.800 0.229 7.417 1.00 0.00 H new ATOM 0 HB THR A 60 -8.922 -0.593 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.587 -1.239 10.032 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.055 1.063 9.686 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.512 1.772 8.119 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.770 1.342 9.302 1.00 0.00 H new ATOM 753 N ALA A 61 -10.297 -0.646 4.818 1.00 0.00 N ATOM 754 CA ALA A 61 -9.606 -0.261 3.590 1.00 0.00 C ATOM 755 C ALA A 61 -10.375 0.781 2.749 1.00 0.00 C ATOM 756 O ALA A 61 -10.023 1.954 2.779 1.00 0.00 O ATOM 757 CB ALA A 61 -9.232 -1.490 2.771 1.00 0.00 C ATOM 0 H ALA A 61 -10.741 -1.564 4.790 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.687 0.240 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.719 -1.179 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.574 -2.132 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.135 -2.040 2.508 1.00 0.00 H new ATOM 763 N PRO A 62 -11.451 0.413 2.018 1.00 0.00 N ATOM 764 CA PRO A 62 -12.034 1.307 1.016 1.00 0.00 C ATOM 765 C PRO A 62 -12.964 2.365 1.611 1.00 0.00 C ATOM 766 O PRO A 62 -13.175 3.427 1.015 1.00 0.00 O ATOM 767 CB PRO A 62 -12.804 0.352 0.113 1.00 0.00 C ATOM 768 CG PRO A 62 -13.214 -0.775 1.001 1.00 0.00 C ATOM 769 CD PRO A 62 -12.206 -0.850 2.125 1.00 0.00 C ATOM 0 HA PRO A 62 -11.270 1.890 0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.672 0.841 -0.330 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.182 -0.000 -0.710 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -14.217 -0.609 1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.241 -1.712 0.445 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.696 -0.940 3.094 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.552 -1.715 2.017 1.00 0.00 H new ATOM 777 N ALA A 63 -13.504 2.063 2.788 1.00 0.00 N ATOM 778 CA ALA A 63 -14.404 2.962 3.502 1.00 0.00 C ATOM 779 C ALA A 63 -15.615 3.355 2.648 1.00 0.00 C ATOM 780 O ALA A 63 -16.527 2.553 2.453 1.00 0.00 O ATOM 781 CB ALA A 63 -13.657 4.192 4.003 1.00 0.00 C ATOM 0 H ALA A 63 -13.329 1.184 3.275 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.787 2.422 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.349 4.847 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.860 3.883 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.227 4.726 3.156 1.00 0.00 H new ATOM 787 N PHE A 64 -15.630 4.593 2.163 1.00 0.00 N ATOM 788 CA PHE A 64 -16.764 5.110 1.398 1.00 0.00 C ATOM 789 C PHE A 64 -16.454 5.341 -0.084 1.00 0.00 C ATOM 790 O PHE A 64 -17.365 5.361 -0.911 1.00 0.00 O ATOM 791 CB PHE A 64 -17.289 6.406 2.013 1.00 0.00 C ATOM 792 CG PHE A 64 -16.236 7.265 2.644 1.00 0.00 C ATOM 793 CD1 PHE A 64 -15.017 7.425 2.028 1.00 0.00 C ATOM 794 CD2 PHE A 64 -16.468 7.913 3.842 1.00 0.00 C ATOM 795 CE1 PHE A 64 -14.037 8.213 2.583 1.00 0.00 C ATOM 796 CE2 PHE A 64 -15.491 8.708 4.414 1.00 0.00 C ATOM 797 CZ PHE A 64 -14.271 8.858 3.782 1.00 0.00 C ATOM 0 H PHE A 64 -14.868 5.260 2.286 1.00 0.00 H new ATOM 0 HA PHE A 64 -17.527 4.333 1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -17.794 6.983 1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -18.038 6.159 2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -14.826 6.922 1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -17.421 7.798 4.337 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -13.087 8.328 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -15.681 9.210 5.351 1.00 0.00 H new ATOM 0 HZ PHE A 64 -13.504 9.477 4.224 1.00 0.00 H new ATOM 807 N GLU A 65 -15.169 5.515 -0.392 1.00 0.00 N ATOM 808 CA GLU A 65 -14.701 5.986 -1.707 1.00 0.00 C ATOM 809 C GLU A 65 -14.937 7.493 -1.832 1.00 0.00 C ATOM 810 O GLU A 65 -15.309 8.143 -0.858 1.00 0.00 O ATOM 811 CB GLU A 65 -15.362 5.235 -2.867 1.00 0.00 C ATOM 812 CG GLU A 65 -14.782 3.855 -3.118 1.00 0.00 C ATOM 813 CD GLU A 65 -15.255 3.266 -4.429 1.00 0.00 C ATOM 814 OE1 GLU A 65 -14.680 3.618 -5.484 1.00 0.00 O ATOM 815 OE2 GLU A 65 -16.204 2.458 -4.417 1.00 0.00 O ATOM 0 H GLU A 65 -14.412 5.333 0.267 1.00 0.00 H new ATOM 0 HA GLU A 65 -13.633 5.779 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.428 5.138 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -15.264 5.830 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.694 3.915 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.063 3.191 -2.301 1.00 0.00 H new ATOM 822 N GLY A 66 -14.710 8.055 -3.015 1.00 0.00 N ATOM 823 CA GLY A 66 -14.755 9.496 -3.144 1.00 0.00 C ATOM 824 C GLY A 66 -15.270 9.987 -4.477 1.00 0.00 C ATOM 825 O GLY A 66 -16.229 10.760 -4.533 1.00 0.00 O ATOM 0 H GLY A 66 -14.499 7.546 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.387 9.900 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.753 9.894 -2.986 1.00 0.00 H new ATOM 829 N ARG A 67 -14.641 9.549 -5.550 1.00 0.00 N ATOM 830 CA ARG A 67 -14.893 10.130 -6.854 1.00 0.00 C ATOM 831 C ARG A 67 -14.552 9.134 -7.953 1.00 0.00 C ATOM 832 O ARG A 67 -13.382 8.863 -8.214 1.00 0.00 O ATOM 833 CB ARG A 67 -14.033 11.390 -7.011 1.00 0.00 C ATOM 834 CG ARG A 67 -14.468 12.336 -8.120 1.00 0.00 C ATOM 835 CD ARG A 67 -15.666 13.167 -7.705 1.00 0.00 C ATOM 836 NE ARG A 67 -15.869 14.313 -8.590 1.00 0.00 N ATOM 837 CZ ARG A 67 -16.726 15.304 -8.346 1.00 0.00 C ATOM 838 NH1 ARG A 67 -17.540 15.242 -7.296 1.00 0.00 N ATOM 839 NH2 ARG A 67 -16.770 16.347 -9.162 1.00 0.00 N ATOM 0 H ARG A 67 -13.954 8.795 -5.545 1.00 0.00 H new ATOM 0 HA ARG A 67 -15.949 10.387 -6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -14.039 11.935 -6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.003 11.087 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.640 12.995 -8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.714 11.762 -9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.560 12.543 -7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.527 13.518 -6.683 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.320 14.357 -9.448 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.510 14.434 -6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.195 16.002 -7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.150 16.388 -9.971 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -17.424 17.109 -8.981 1.00 0.00 H new ATOM 853 N LYS A 68 -15.567 8.581 -8.592 1.00 0.00 N ATOM 854 CA LYS A 68 -15.350 7.709 -9.739 1.00 0.00 C ATOM 855 C LYS A 68 -14.708 8.499 -10.870 1.00 0.00 C ATOM 856 O LYS A 68 -13.966 7.957 -11.689 1.00 0.00 O ATOM 857 CB LYS A 68 -16.671 7.097 -10.212 1.00 0.00 C ATOM 858 CG LYS A 68 -17.343 6.226 -9.170 1.00 0.00 C ATOM 859 CD LYS A 68 -16.481 5.030 -8.805 1.00 0.00 C ATOM 860 CE LYS A 68 -17.201 4.108 -7.842 1.00 0.00 C ATOM 861 NZ LYS A 68 -16.364 2.945 -7.447 1.00 0.00 N ATOM 0 H LYS A 68 -16.546 8.717 -8.340 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.684 6.899 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.352 7.899 -10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.487 6.502 -11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.545 6.816 -8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.305 5.881 -9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.215 4.481 -9.708 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.549 5.374 -8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.487 4.667 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.122 3.751 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.890 2.351 -6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.126 2.386 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.489 3.283 -6.998 1.00 0.00 H new ATOM 875 N GLU A 69 -14.994 9.792 -10.887 1.00 0.00 N ATOM 876 CA GLU A 69 -14.422 10.703 -11.870 1.00 0.00 C ATOM 877 C GLU A 69 -12.896 10.728 -11.794 1.00 0.00 C ATOM 878 O GLU A 69 -12.217 10.768 -12.821 1.00 0.00 O ATOM 879 CB GLU A 69 -14.972 12.106 -11.663 1.00 0.00 C ATOM 880 CG GLU A 69 -16.445 12.196 -11.976 1.00 0.00 C ATOM 881 CD GLU A 69 -16.725 12.097 -13.454 1.00 0.00 C ATOM 882 OE1 GLU A 69 -16.655 13.131 -14.148 1.00 0.00 O ATOM 883 OE2 GLU A 69 -17.026 10.984 -13.929 1.00 0.00 O ATOM 0 H GLU A 69 -15.626 10.239 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.703 10.342 -12.859 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.803 12.411 -10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.425 12.805 -12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.974 11.398 -11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.837 13.140 -11.597 1.00 0.00 H new ATOM 890 N ILE A 70 -12.362 10.704 -10.575 1.00 0.00 N ATOM 891 CA ILE A 70 -10.919 10.755 -10.380 1.00 0.00 C ATOM 892 C ILE A 70 -10.298 9.374 -10.539 1.00 0.00 C ATOM 893 O ILE A 70 -9.108 9.256 -10.827 1.00 0.00 O ATOM 894 CB ILE A 70 -10.511 11.307 -8.997 1.00 0.00 C ATOM 895 CG1 ILE A 70 -9.015 11.635 -9.013 1.00 0.00 C ATOM 896 CG2 ILE A 70 -10.840 10.305 -7.892 1.00 0.00 C ATOM 897 CD1 ILE A 70 -8.367 11.612 -7.655 1.00 0.00 C ATOM 0 H ILE A 70 -12.905 10.650 -9.713 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.548 11.436 -11.146 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.076 12.216 -8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.504 10.921 -9.660 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.875 12.622 -9.454 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.543 10.717 -6.927 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.912 10.107 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.300 9.375 -8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.309 11.854 -7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.849 12.346 -7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.473 10.619 -7.218 1.00 0.00 H new ATOM 909 N TRP A 71 -11.109 8.338 -10.333 1.00 0.00 N ATOM 910 CA TRP A 71 -10.637 6.957 -10.393 1.00 0.00 C ATOM 911 C TRP A 71 -9.821 6.719 -11.656 1.00 0.00 C ATOM 912 O TRP A 71 -8.806 6.020 -11.631 1.00 0.00 O ATOM 913 CB TRP A 71 -11.820 5.991 -10.367 1.00 0.00 C ATOM 914 CG TRP A 71 -11.889 5.112 -9.152 1.00 0.00 C ATOM 915 CD1 TRP A 71 -12.966 4.952 -8.332 1.00 0.00 C ATOM 916 CD2 TRP A 71 -10.852 4.268 -8.621 1.00 0.00 C ATOM 917 NE1 TRP A 71 -12.673 4.061 -7.332 1.00 0.00 N ATOM 918 CE2 TRP A 71 -11.382 3.631 -7.481 1.00 0.00 C ATOM 919 CE3 TRP A 71 -9.531 3.988 -8.991 1.00 0.00 C ATOM 920 CZ2 TRP A 71 -10.643 2.734 -6.715 1.00 0.00 C ATOM 921 CZ3 TRP A 71 -8.798 3.096 -8.226 1.00 0.00 C ATOM 922 CH2 TRP A 71 -9.356 2.481 -7.098 1.00 0.00 C ATOM 0 H TRP A 71 -12.103 8.431 -10.122 1.00 0.00 H new ATOM 0 HA TRP A 71 -10.004 6.780 -9.523 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -12.743 6.567 -10.434 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.774 5.358 -11.254 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -13.914 5.455 -8.453 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.314 3.766 -6.595 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.091 4.459 -9.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.072 2.254 -5.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -7.779 2.871 -8.504 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -8.757 1.793 -6.520 1.00 0.00 H new ATOM 933 N ASP A 72 -10.272 7.330 -12.747 1.00 0.00 N ATOM 934 CA ASP A 72 -9.602 7.248 -14.044 1.00 0.00 C ATOM 935 C ASP A 72 -8.124 7.626 -13.928 1.00 0.00 C ATOM 936 O ASP A 72 -7.250 6.966 -14.501 1.00 0.00 O ATOM 937 CB ASP A 72 -10.303 8.177 -15.037 1.00 0.00 C ATOM 938 CG ASP A 72 -9.769 8.049 -16.449 1.00 0.00 C ATOM 939 OD1 ASP A 72 -8.801 8.753 -16.793 1.00 0.00 O ATOM 940 OD2 ASP A 72 -10.336 7.258 -17.231 1.00 0.00 O ATOM 0 H ASP A 72 -11.118 7.900 -12.758 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.658 6.219 -14.399 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.371 7.959 -15.038 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.188 9.208 -14.704 1.00 0.00 H new ATOM 945 N ALA A 73 -7.844 8.659 -13.141 1.00 0.00 N ATOM 946 CA ALA A 73 -6.488 9.163 -13.001 1.00 0.00 C ATOM 947 C ALA A 73 -5.673 8.242 -12.109 1.00 0.00 C ATOM 948 O ALA A 73 -4.474 8.054 -12.311 1.00 0.00 O ATOM 949 CB ALA A 73 -6.513 10.572 -12.428 1.00 0.00 C ATOM 0 H ALA A 73 -8.540 9.162 -12.591 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.020 9.193 -13.985 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.493 10.942 -12.327 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.071 11.227 -13.097 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.993 10.558 -11.449 1.00 0.00 H new ATOM 955 N LEU A 74 -6.348 7.644 -11.139 1.00 0.00 N ATOM 956 CA LEU A 74 -5.696 6.806 -10.147 1.00 0.00 C ATOM 957 C LEU A 74 -5.167 5.524 -10.780 1.00 0.00 C ATOM 958 O LEU A 74 -4.035 5.110 -10.528 1.00 0.00 O ATOM 959 CB LEU A 74 -6.676 6.490 -9.015 1.00 0.00 C ATOM 960 CG LEU A 74 -7.400 7.717 -8.444 1.00 0.00 C ATOM 961 CD1 LEU A 74 -8.288 7.338 -7.269 1.00 0.00 C ATOM 962 CD2 LEU A 74 -6.386 8.770 -8.038 1.00 0.00 C ATOM 0 H LEU A 74 -7.358 7.726 -11.018 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.844 7.347 -9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.420 5.782 -9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.134 5.995 -8.209 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.046 8.129 -9.220 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.787 8.229 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.036 6.616 -7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.679 6.897 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.906 9.639 -7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.720 8.360 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.803 9.069 -8.909 1.00 0.00 H new ATOM 974 N LYS A 75 -5.983 4.922 -11.628 1.00 0.00 N ATOM 975 CA LYS A 75 -5.608 3.694 -12.315 1.00 0.00 C ATOM 976 C LYS A 75 -4.602 3.964 -13.433 1.00 0.00 C ATOM 977 O LYS A 75 -3.767 3.114 -13.745 1.00 0.00 O ATOM 978 CB LYS A 75 -6.859 3.009 -12.860 1.00 0.00 C ATOM 979 CG LYS A 75 -7.836 3.975 -13.497 1.00 0.00 C ATOM 980 CD LYS A 75 -9.191 3.324 -13.731 1.00 0.00 C ATOM 981 CE LYS A 75 -9.748 2.739 -12.447 1.00 0.00 C ATOM 982 NZ LYS A 75 -11.136 2.233 -12.608 1.00 0.00 N ATOM 0 H LYS A 75 -6.915 5.265 -11.859 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.122 3.031 -11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.565 2.261 -13.596 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.358 2.479 -12.049 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.957 4.848 -12.856 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.433 4.329 -14.446 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.888 4.061 -14.130 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.095 2.538 -14.480 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.104 1.925 -12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.730 3.500 -11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.471 1.844 -11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.758 3.013 -12.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.152 1.487 -13.333 1.00 0.00 H new ATOM 996 N ALA A 76 -4.677 5.146 -14.036 1.00 0.00 N ATOM 997 CA ALA A 76 -3.703 5.533 -15.051 1.00 0.00 C ATOM 998 C ALA A 76 -2.340 5.790 -14.413 1.00 0.00 C ATOM 999 O ALA A 76 -1.298 5.481 -14.996 1.00 0.00 O ATOM 1000 CB ALA A 76 -4.181 6.758 -15.815 1.00 0.00 C ATOM 0 H ALA A 76 -5.393 5.846 -13.843 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.600 4.711 -15.760 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.440 7.030 -16.567 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.129 6.535 -16.304 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.317 7.589 -15.122 1.00 0.00 H new ATOM 1006 N ALA A 77 -2.350 6.343 -13.206 1.00 0.00 N ATOM 1007 CA ALA A 77 -1.115 6.558 -12.468 1.00 0.00 C ATOM 1008 C ALA A 77 -0.510 5.234 -12.058 1.00 0.00 C ATOM 1009 O ALA A 77 0.698 5.037 -12.180 1.00 0.00 O ATOM 1010 CB ALA A 77 -1.355 7.427 -11.248 1.00 0.00 C ATOM 0 H ALA A 77 -3.194 6.648 -12.722 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.415 7.077 -13.123 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.416 7.572 -10.714 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.747 8.394 -11.562 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.075 6.940 -10.590 1.00 0.00 H new ATOM 1016 N ALA A 78 -1.350 4.344 -11.549 1.00 0.00 N ATOM 1017 CA ALA A 78 -0.952 2.970 -11.289 1.00 0.00 C ATOM 1018 C ALA A 78 -0.277 2.362 -12.511 1.00 0.00 C ATOM 1019 O ALA A 78 0.717 1.662 -12.382 1.00 0.00 O ATOM 1020 CB ALA A 78 -2.155 2.134 -10.881 1.00 0.00 C ATOM 0 H ALA A 78 -2.319 4.552 -11.307 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.236 2.975 -10.467 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.838 1.109 -10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.598 2.551 -9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.893 2.142 -11.683 1.00 0.00 H new ATOM 1026 N HIS A 79 -0.797 2.674 -13.694 1.00 0.00 N ATOM 1027 CA HIS A 79 -0.247 2.142 -14.941 1.00 0.00 C ATOM 1028 C HIS A 79 1.202 2.580 -15.114 1.00 0.00 C ATOM 1029 O HIS A 79 2.087 1.763 -15.384 1.00 0.00 O ATOM 1030 CB HIS A 79 -1.080 2.615 -16.140 1.00 0.00 C ATOM 1031 CG HIS A 79 -0.542 2.163 -17.470 1.00 0.00 C ATOM 1032 ND1 HIS A 79 -0.859 0.952 -18.047 1.00 0.00 N ATOM 1033 CD2 HIS A 79 0.298 2.779 -18.333 1.00 0.00 C ATOM 1034 CE1 HIS A 79 -0.236 0.846 -19.207 1.00 0.00 C ATOM 1035 NE2 HIS A 79 0.470 1.942 -19.403 1.00 0.00 N ATOM 0 H HIS A 79 -1.599 3.292 -13.818 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.284 1.054 -14.893 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.101 2.249 -16.028 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.129 3.704 -16.130 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.750 3.751 -18.202 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.295 0.004 -19.881 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.050 2.135 -20.219 1.00 0.00 H new ATOM 1044 N ALA A 80 1.431 3.879 -14.977 1.00 0.00 N ATOM 1045 CA ALA A 80 2.768 4.430 -15.091 1.00 0.00 C ATOM 1046 C ALA A 80 3.663 3.907 -13.980 1.00 0.00 C ATOM 1047 O ALA A 80 4.756 3.406 -14.237 1.00 0.00 O ATOM 1048 CB ALA A 80 2.722 5.944 -15.056 1.00 0.00 C ATOM 0 H ALA A 80 0.705 4.569 -14.786 1.00 0.00 H new ATOM 0 HA ALA A 80 3.185 4.114 -16.047 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.733 6.341 -15.143 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.117 6.309 -15.886 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.283 6.273 -14.114 1.00 0.00 H new ATOM 1054 N PHE A 81 3.180 3.998 -12.750 1.00 0.00 N ATOM 1055 CA PHE A 81 3.949 3.582 -11.589 1.00 0.00 C ATOM 1056 C PHE A 81 4.315 2.096 -11.663 1.00 0.00 C ATOM 1057 O PHE A 81 5.418 1.704 -11.282 1.00 0.00 O ATOM 1058 CB PHE A 81 3.182 3.919 -10.306 1.00 0.00 C ATOM 1059 CG PHE A 81 3.682 3.203 -9.083 1.00 0.00 C ATOM 1060 CD1 PHE A 81 4.970 3.403 -8.620 1.00 0.00 C ATOM 1061 CD2 PHE A 81 2.860 2.328 -8.401 1.00 0.00 C ATOM 1062 CE1 PHE A 81 5.428 2.740 -7.497 1.00 0.00 C ATOM 1063 CE2 PHE A 81 3.309 1.662 -7.278 1.00 0.00 C ATOM 1064 CZ PHE A 81 4.598 1.868 -6.825 1.00 0.00 C ATOM 0 H PHE A 81 2.252 4.359 -12.530 1.00 0.00 H new ATOM 0 HA PHE A 81 4.889 4.133 -11.577 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.240 4.994 -10.133 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.129 3.676 -10.451 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.625 4.085 -9.142 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.852 2.162 -8.751 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.436 2.905 -7.146 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.654 0.981 -6.755 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.954 1.348 -5.948 1.00 0.00 H new ATOM 1074 N GLU A 82 3.401 1.278 -12.178 1.00 0.00 N ATOM 1075 CA GLU A 82 3.679 -0.137 -12.407 1.00 0.00 C ATOM 1076 C GLU A 82 4.838 -0.308 -13.381 1.00 0.00 C ATOM 1077 O GLU A 82 5.619 -1.255 -13.280 1.00 0.00 O ATOM 1078 CB GLU A 82 2.441 -0.842 -12.959 1.00 0.00 C ATOM 1079 CG GLU A 82 1.416 -1.198 -11.897 1.00 0.00 C ATOM 1080 CD GLU A 82 0.384 -2.190 -12.391 1.00 0.00 C ATOM 1081 OE1 GLU A 82 -0.543 -1.787 -13.126 1.00 0.00 O ATOM 1082 OE2 GLU A 82 0.494 -3.384 -12.039 1.00 0.00 O ATOM 0 H GLU A 82 2.461 1.571 -12.445 1.00 0.00 H new ATOM 0 HA GLU A 82 3.951 -0.585 -11.451 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.971 -0.201 -13.704 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.751 -1.753 -13.472 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.928 -1.614 -11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.912 -0.290 -11.565 1.00 0.00 H new ATOM 1089 N SER A 83 4.950 0.631 -14.305 1.00 0.00 N ATOM 1090 CA SER A 83 5.991 0.601 -15.316 1.00 0.00 C ATOM 1091 C SER A 83 7.240 1.324 -14.817 1.00 0.00 C ATOM 1092 O SER A 83 8.110 1.692 -15.607 1.00 0.00 O ATOM 1093 CB SER A 83 5.475 1.252 -16.595 1.00 0.00 C ATOM 1094 OG SER A 83 4.203 0.725 -16.946 1.00 0.00 O ATOM 0 H SER A 83 4.324 1.433 -14.375 1.00 0.00 H new ATOM 0 HA SER A 83 6.258 -0.435 -15.524 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.402 2.331 -16.457 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.182 1.082 -17.407 1.00 0.00 H new ATOM 0 HG SER A 83 3.513 1.132 -16.381 1.00 0.00 H new ATOM 1100 N ASN A 84 7.300 1.524 -13.495 1.00 0.00 N ATOM 1101 CA ASN A 84 8.429 2.172 -12.817 1.00 0.00 C ATOM 1102 C ASN A 84 8.394 3.686 -12.984 1.00 0.00 C ATOM 1103 O ASN A 84 9.294 4.390 -12.522 1.00 0.00 O ATOM 1104 CB ASN A 84 9.780 1.626 -13.291 1.00 0.00 C ATOM 1105 CG ASN A 84 10.013 0.190 -12.870 1.00 0.00 C ATOM 1106 OD1 ASN A 84 10.515 -0.075 -11.778 1.00 0.00 O ATOM 1107 ND2 ASN A 84 9.664 -0.744 -13.735 1.00 0.00 N ATOM 0 H ASN A 84 6.557 1.237 -12.858 1.00 0.00 H new ATOM 0 HA ASN A 84 8.321 1.937 -11.758 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.833 1.694 -14.378 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.579 2.251 -12.893 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.808 -1.728 -13.509 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.251 -0.482 -14.630 1.00 0.00 H new ATOM 1114 N ASP A 85 7.349 4.185 -13.628 1.00 0.00 N ATOM 1115 CA ASP A 85 7.168 5.624 -13.794 1.00 0.00 C ATOM 1116 C ASP A 85 6.587 6.234 -12.525 1.00 0.00 C ATOM 1117 O ASP A 85 5.375 6.424 -12.395 1.00 0.00 O ATOM 1118 CB ASP A 85 6.262 5.927 -14.991 1.00 0.00 C ATOM 1119 CG ASP A 85 6.972 5.775 -16.321 1.00 0.00 C ATOM 1120 OD1 ASP A 85 7.682 6.717 -16.739 1.00 0.00 O ATOM 1121 OD2 ASP A 85 6.817 4.719 -16.966 1.00 0.00 O ATOM 0 H ASP A 85 6.612 3.616 -14.045 1.00 0.00 H new ATOM 0 HA ASP A 85 8.144 6.070 -13.984 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.401 5.260 -14.966 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.880 6.944 -14.903 1.00 0.00 H new ATOM 1126 N HIS A 86 7.470 6.547 -11.591 1.00 0.00 N ATOM 1127 CA HIS A 86 7.082 7.164 -10.336 1.00 0.00 C ATOM 1128 C HIS A 86 6.649 8.601 -10.576 1.00 0.00 C ATOM 1129 O HIS A 86 5.630 9.061 -10.044 1.00 0.00 O ATOM 1130 CB HIS A 86 8.247 7.140 -9.341 1.00 0.00 C ATOM 1131 CG HIS A 86 8.595 5.780 -8.825 1.00 0.00 C ATOM 1132 ND1 HIS A 86 9.696 5.069 -9.249 1.00 0.00 N ATOM 1133 CD2 HIS A 86 7.986 5.007 -7.899 1.00 0.00 C ATOM 1134 CE1 HIS A 86 9.748 3.918 -8.606 1.00 0.00 C ATOM 1135 NE2 HIS A 86 8.721 3.858 -7.779 1.00 0.00 N ATOM 0 H HIS A 86 8.472 6.381 -11.682 1.00 0.00 H new ATOM 0 HA HIS A 86 6.249 6.598 -9.918 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.127 7.569 -9.821 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.000 7.783 -8.496 1.00 0.00 H new ATOM 0 HD2 HIS A 86 7.086 5.250 -7.354 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.502 3.155 -8.734 1.00 0.00 H new ATOM 0 HE2 HIS A 86 8.509 3.082 -7.152 1.00 0.00 H new ATOM 1144 N GLU A 87 7.424 9.289 -11.406 1.00 0.00 N ATOM 1145 CA GLU A 87 7.209 10.699 -11.693 1.00 0.00 C ATOM 1146 C GLU A 87 5.869 10.921 -12.387 1.00 0.00 C ATOM 1147 O GLU A 87 5.157 11.878 -12.082 1.00 0.00 O ATOM 1148 CB GLU A 87 8.357 11.241 -12.549 1.00 0.00 C ATOM 1149 CG GLU A 87 8.513 10.536 -13.887 1.00 0.00 C ATOM 1150 CD GLU A 87 9.732 10.998 -14.645 1.00 0.00 C ATOM 1151 OE1 GLU A 87 9.789 12.188 -15.020 1.00 0.00 O ATOM 1152 OE2 GLU A 87 10.645 10.176 -14.865 1.00 0.00 O ATOM 0 H GLU A 87 8.220 8.883 -11.899 1.00 0.00 H new ATOM 0 HA GLU A 87 7.187 11.242 -10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.195 12.304 -12.726 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.288 11.150 -11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.578 9.461 -13.722 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.624 10.712 -14.493 1.00 0.00 H new ATOM 1159 N LEU A 88 5.518 10.021 -13.299 1.00 0.00 N ATOM 1160 CA LEU A 88 4.254 10.114 -14.016 1.00 0.00 C ATOM 1161 C LEU A 88 3.083 10.066 -13.053 1.00 0.00 C ATOM 1162 O LEU A 88 2.188 10.907 -13.108 1.00 0.00 O ATOM 1163 CB LEU A 88 4.123 8.990 -15.041 1.00 0.00 C ATOM 1164 CG LEU A 88 4.819 9.239 -16.377 1.00 0.00 C ATOM 1165 CD1 LEU A 88 4.409 8.177 -17.379 1.00 0.00 C ATOM 1166 CD2 LEU A 88 4.488 10.627 -16.903 1.00 0.00 C ATOM 0 H LEU A 88 6.092 9.219 -13.558 1.00 0.00 H new ATOM 0 HA LEU A 88 4.242 11.070 -14.540 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.525 8.075 -14.606 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.064 8.814 -15.229 1.00 0.00 H new ATOM 0 HG LEU A 88 5.897 9.183 -16.227 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.909 8.361 -18.330 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.693 7.194 -17.004 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.329 8.212 -17.525 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.993 10.785 -17.856 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.411 10.715 -17.045 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.822 11.377 -16.186 1.00 0.00 H new ATOM 1178 N ALA A 89 3.099 9.094 -12.156 1.00 0.00 N ATOM 1179 CA ALA A 89 2.019 8.937 -11.202 1.00 0.00 C ATOM 1180 C ALA A 89 1.941 10.134 -10.257 1.00 0.00 C ATOM 1181 O ALA A 89 0.857 10.518 -9.837 1.00 0.00 O ATOM 1182 CB ALA A 89 2.173 7.630 -10.440 1.00 0.00 C ATOM 0 H ALA A 89 3.846 8.405 -12.070 1.00 0.00 H new ATOM 0 HA ALA A 89 1.077 8.898 -11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.355 7.526 -9.727 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.152 6.796 -11.141 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.123 7.631 -9.905 1.00 0.00 H new ATOM 1188 N GLN A 90 3.086 10.722 -9.913 1.00 0.00 N ATOM 1189 CA GLN A 90 3.097 11.960 -9.126 1.00 0.00 C ATOM 1190 C GLN A 90 2.466 13.105 -9.910 1.00 0.00 C ATOM 1191 O GLN A 90 1.650 13.853 -9.380 1.00 0.00 O ATOM 1192 CB GLN A 90 4.517 12.358 -8.707 1.00 0.00 C ATOM 1193 CG GLN A 90 5.112 11.477 -7.625 1.00 0.00 C ATOM 1194 CD GLN A 90 6.381 12.064 -7.041 1.00 0.00 C ATOM 1195 OE1 GLN A 90 7.475 11.815 -7.536 1.00 0.00 O ATOM 1196 NE2 GLN A 90 6.247 12.835 -5.976 1.00 0.00 N ATOM 0 H GLN A 90 4.010 10.368 -10.162 1.00 0.00 H new ATOM 0 HA GLN A 90 2.513 11.767 -8.226 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.165 12.327 -9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.505 13.390 -8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.380 11.336 -6.830 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.327 10.492 -8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.320 13.019 -5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.071 13.246 -5.537 1.00 0.00 H new ATOM 1205 N ALA A 91 2.832 13.218 -11.181 1.00 0.00 N ATOM 1206 CA ALA A 91 2.344 14.298 -12.029 1.00 0.00 C ATOM 1207 C ALA A 91 0.853 14.151 -12.291 1.00 0.00 C ATOM 1208 O ALA A 91 0.179 15.109 -12.665 1.00 0.00 O ATOM 1209 CB ALA A 91 3.113 14.335 -13.339 1.00 0.00 C ATOM 0 H ALA A 91 3.468 12.572 -11.648 1.00 0.00 H new ATOM 0 HA ALA A 91 2.505 15.240 -11.505 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.735 15.147 -13.960 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.172 14.496 -13.135 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.984 13.388 -13.863 1.00 0.00 H new ATOM 1215 N ILE A 92 0.349 12.941 -12.125 1.00 0.00 N ATOM 1216 CA ILE A 92 -1.074 12.687 -12.268 1.00 0.00 C ATOM 1217 C ILE A 92 -1.835 13.017 -10.977 1.00 0.00 C ATOM 1218 O ILE A 92 -2.693 13.899 -10.969 1.00 0.00 O ATOM 1219 CB ILE A 92 -1.323 11.221 -12.679 1.00 0.00 C ATOM 1220 CG1 ILE A 92 -0.802 10.982 -14.101 1.00 0.00 C ATOM 1221 CG2 ILE A 92 -2.796 10.870 -12.585 1.00 0.00 C ATOM 1222 CD1 ILE A 92 -1.028 9.575 -14.609 1.00 0.00 C ATOM 0 H ILE A 92 0.904 12.118 -11.891 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.450 13.341 -13.054 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.782 10.573 -11.989 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.288 11.685 -14.778 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.266 11.200 -14.128 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.942 9.831 -12.880 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.138 11.007 -11.559 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.368 11.519 -13.248 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.632 9.485 -15.621 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.519 8.866 -13.956 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.096 9.358 -14.617 1.00 0.00 H new ATOM 1234 N ILE A 93 -1.500 12.312 -9.890 1.00 0.00 N ATOM 1235 CA ILE A 93 -2.151 12.514 -8.590 1.00 0.00 C ATOM 1236 C ILE A 93 -2.042 13.964 -8.129 1.00 0.00 C ATOM 1237 O ILE A 93 -3.051 14.663 -8.005 1.00 0.00 O ATOM 1238 CB ILE A 93 -1.529 11.602 -7.504 1.00 0.00 C ATOM 1239 CG1 ILE A 93 -1.441 10.152 -7.992 1.00 0.00 C ATOM 1240 CG2 ILE A 93 -2.335 11.673 -6.221 1.00 0.00 C ATOM 1241 CD1 ILE A 93 -2.664 9.685 -8.736 1.00 0.00 C ATOM 0 H ILE A 93 -0.777 11.592 -9.886 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.202 12.257 -8.725 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.519 11.960 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.571 10.049 -8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.278 9.499 -7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.882 11.025 -5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.347 12.700 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.356 11.345 -6.414 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.526 8.650 -9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.535 9.754 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.817 10.312 -9.614 1.00 0.00 H new ATOM 1253 N ASP A 94 -0.814 14.420 -7.921 1.00 0.00 N ATOM 1254 CA ASP A 94 -0.564 15.776 -7.452 1.00 0.00 C ATOM 1255 C ASP A 94 -0.837 16.775 -8.558 1.00 0.00 C ATOM 1256 O ASP A 94 -0.953 17.974 -8.313 1.00 0.00 O ATOM 1257 CB ASP A 94 0.883 15.925 -6.976 1.00 0.00 C ATOM 1258 CG ASP A 94 1.164 15.183 -5.687 1.00 0.00 C ATOM 1259 OD1 ASP A 94 1.334 13.949 -5.735 1.00 0.00 O ATOM 1260 OD2 ASP A 94 1.240 15.845 -4.622 1.00 0.00 O ATOM 0 H ASP A 94 0.029 13.866 -8.071 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.234 15.973 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.554 15.559 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.106 16.983 -6.835 1.00 0.00 H new ATOM 1265 N GLY A 95 -0.944 16.270 -9.781 1.00 0.00 N ATOM 1266 CA GLY A 95 -1.201 17.125 -10.915 1.00 0.00 C ATOM 1267 C GLY A 95 -2.632 17.610 -10.951 1.00 0.00 C ATOM 1268 O GLY A 95 -2.928 18.631 -11.572 1.00 0.00 O ATOM 0 H GLY A 95 -0.856 15.279 -10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.529 17.983 -10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -0.980 16.583 -11.834 1.00 0.00 H new ATOM 1272 N ALA A 96 -3.521 16.889 -10.277 1.00 0.00 N ATOM 1273 CA ALA A 96 -4.930 17.255 -10.241 1.00 0.00 C ATOM 1274 C ALA A 96 -5.182 18.313 -9.179 1.00 0.00 C ATOM 1275 O ALA A 96 -5.697 19.395 -9.464 1.00 0.00 O ATOM 1276 CB ALA A 96 -5.783 16.022 -9.977 1.00 0.00 C ATOM 0 H ALA A 96 -3.290 16.048 -9.748 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.206 17.672 -11.209 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.835 16.306 -9.952 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.623 15.292 -10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.503 15.584 -9.019 1.00 0.00 H new ATOM 1282 N ASN A 97 -4.777 17.966 -7.970 1.00 0.00 N ATOM 1283 CA ASN A 97 -4.975 18.770 -6.755 1.00 0.00 C ATOM 1284 C ASN A 97 -4.922 17.811 -5.591 1.00 0.00 C ATOM 1285 O ASN A 97 -4.529 18.147 -4.476 1.00 0.00 O ATOM 1286 CB ASN A 97 -6.331 19.494 -6.725 1.00 0.00 C ATOM 1287 CG ASN A 97 -6.420 20.513 -5.598 1.00 0.00 C ATOM 1288 OD1 ASN A 97 -7.472 20.677 -4.973 1.00 0.00 O ATOM 1289 ND2 ASN A 97 -5.332 21.230 -5.350 1.00 0.00 N ATOM 0 H ASN A 97 -4.285 17.091 -7.791 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.204 19.540 -6.717 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.493 19.996 -7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.129 18.760 -6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.347 21.945 -4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.480 21.067 -5.887 1.00 0.00 H new ATOM 1296 N ILE A 98 -5.355 16.602 -5.900 1.00 0.00 N ATOM 1297 CA ILE A 98 -5.318 15.481 -4.988 1.00 0.00 C ATOM 1298 C ILE A 98 -3.908 15.265 -4.446 1.00 0.00 C ATOM 1299 O ILE A 98 -2.929 15.344 -5.187 1.00 0.00 O ATOM 1300 CB ILE A 98 -5.825 14.213 -5.707 1.00 0.00 C ATOM 1301 CG1 ILE A 98 -7.350 14.129 -5.642 1.00 0.00 C ATOM 1302 CG2 ILE A 98 -5.180 12.960 -5.159 1.00 0.00 C ATOM 1303 CD1 ILE A 98 -8.050 15.075 -6.592 1.00 0.00 C ATOM 0 H ILE A 98 -5.750 16.371 -6.812 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.969 15.695 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.533 14.288 -6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.659 13.108 -5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.674 14.344 -4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.564 12.090 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.100 13.019 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.411 12.866 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.129 14.960 -6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.771 16.102 -6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.755 14.846 -7.616 1.00 0.00 H new ATOM 1315 N THR A 99 -3.809 15.005 -3.154 1.00 0.00 N ATOM 1316 CA THR A 99 -2.521 14.884 -2.504 1.00 0.00 C ATOM 1317 C THR A 99 -2.528 13.830 -1.408 1.00 0.00 C ATOM 1318 O THR A 99 -3.564 13.238 -1.094 1.00 0.00 O ATOM 1319 CB THR A 99 -2.067 16.210 -1.887 1.00 0.00 C ATOM 1320 OG1 THR A 99 -3.158 16.827 -1.185 1.00 0.00 O ATOM 1321 CG2 THR A 99 -1.524 17.165 -2.938 1.00 0.00 C ATOM 0 H THR A 99 -4.609 14.874 -2.535 1.00 0.00 H new ATOM 0 HA THR A 99 -1.826 14.586 -3.289 1.00 0.00 H new ATOM 0 HB THR A 99 -1.260 15.989 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.858 17.673 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.213 18.094 -2.460 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.669 16.709 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.301 17.378 -3.672 1.00 0.00 H new ATOM 1329 N LEU A 100 -1.350 13.585 -0.857 1.00 0.00 N ATOM 1330 CA LEU A 100 -1.180 12.662 0.249 1.00 0.00 C ATOM 1331 C LEU A 100 -0.082 13.144 1.178 1.00 0.00 C ATOM 1332 O LEU A 100 0.971 13.562 0.710 1.00 0.00 O ATOM 1333 CB LEU A 100 -0.725 11.311 -0.243 1.00 0.00 C ATOM 1334 CG LEU A 100 -1.732 10.480 -0.989 1.00 0.00 C ATOM 1335 CD1 LEU A 100 -1.000 9.295 -1.551 1.00 0.00 C ATOM 1336 CD2 LEU A 100 -2.855 10.046 -0.065 1.00 0.00 C ATOM 0 H LEU A 100 -0.483 14.023 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.144 12.600 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.138 11.460 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.382 10.736 0.617 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.191 11.055 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.698 8.664 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.213 9.638 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.557 8.721 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.574 9.446 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.445 9.454 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.354 10.927 0.340 1.00 0.00 H new ATOM 1348 N PRO A 101 -0.283 13.066 2.492 1.00 0.00 N ATOM 1349 CA PRO A 101 0.821 13.190 3.436 1.00 0.00 C ATOM 1350 C PRO A 101 1.583 11.863 3.547 1.00 0.00 C ATOM 1351 O PRO A 101 2.622 11.770 4.196 1.00 0.00 O ATOM 1352 CB PRO A 101 0.122 13.529 4.751 1.00 0.00 C ATOM 1353 CG PRO A 101 -1.223 12.890 4.635 1.00 0.00 C ATOM 1354 CD PRO A 101 -1.585 12.920 3.170 1.00 0.00 C ATOM 0 HA PRO A 101 1.558 13.937 3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.674 13.139 5.606 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.039 14.607 4.890 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.200 11.866 5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.961 13.429 5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.095 12.007 2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.252 13.750 2.939 1.00 0.00 H new ATOM 1362 N HIS A 102 1.026 10.838 2.899 1.00 0.00 N ATOM 1363 CA HIS A 102 1.620 9.501 2.867 1.00 0.00 C ATOM 1364 C HIS A 102 2.731 9.398 1.831 1.00 0.00 C ATOM 1365 O HIS A 102 3.875 9.082 2.166 1.00 0.00 O ATOM 1366 CB HIS A 102 0.572 8.441 2.543 1.00 0.00 C ATOM 1367 CG HIS A 102 -0.126 7.869 3.733 1.00 0.00 C ATOM 1368 ND1 HIS A 102 0.288 6.716 4.357 1.00 0.00 N ATOM 1369 CD2 HIS A 102 -1.231 8.278 4.392 1.00 0.00 C ATOM 1370 CE1 HIS A 102 -0.536 6.435 5.349 1.00 0.00 C ATOM 1371 NE2 HIS A 102 -1.469 7.370 5.392 1.00 0.00 N ATOM 0 H HIS A 102 0.150 10.912 2.382 1.00 0.00 H new ATOM 0 HA HIS A 102 2.034 9.329 3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.173 8.877 1.877 1.00 0.00 H new ATOM 0 HB3 HIS A 102 1.052 7.630 1.996 1.00 0.00 H new ATOM 0 HD1 HIS A 102 1.104 6.164 4.094 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -1.819 9.157 4.172 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -0.461 5.586 6.012 1.00 0.00 H new ATOM 1380 N GLY A 103 2.388 9.646 0.571 1.00 0.00 N ATOM 1381 CA GLY A 103 3.339 9.419 -0.499 1.00 0.00 C ATOM 1382 C GLY A 103 3.161 8.057 -1.133 1.00 0.00 C ATOM 1383 O GLY A 103 4.129 7.350 -1.394 1.00 0.00 O ATOM 0 H GLY A 103 1.477 9.997 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.221 10.191 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.353 9.508 -0.109 1.00 0.00 H new ATOM 1387 N ALA A 104 1.913 7.660 -1.322 1.00 0.00 N ATOM 1388 CA ALA A 104 1.599 6.355 -1.878 1.00 0.00 C ATOM 1389 C ALA A 104 0.901 6.476 -3.217 1.00 0.00 C ATOM 1390 O ALA A 104 0.247 7.469 -3.506 1.00 0.00 O ATOM 1391 CB ALA A 104 0.712 5.585 -0.917 1.00 0.00 C ATOM 0 H ALA A 104 1.096 8.228 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 104 2.538 5.822 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.480 4.607 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 104 1.231 5.456 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.213 6.138 -0.753 1.00 0.00 H new ATOM 1397 N LEU A 105 1.056 5.454 -4.034 1.00 0.00 N ATOM 1398 CA LEU A 105 0.275 5.335 -5.255 1.00 0.00 C ATOM 1399 C LEU A 105 -0.975 4.538 -4.924 1.00 0.00 C ATOM 1400 O LEU A 105 -1.967 4.551 -5.646 1.00 0.00 O ATOM 1401 CB LEU A 105 1.097 4.648 -6.353 1.00 0.00 C ATOM 1402 CG LEU A 105 0.559 4.803 -7.786 1.00 0.00 C ATOM 1403 CD1 LEU A 105 -0.482 3.744 -8.107 1.00 0.00 C ATOM 1404 CD2 LEU A 105 -0.035 6.188 -7.978 1.00 0.00 C ATOM 0 H LEU A 105 1.715 4.692 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.001 6.319 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.113 5.043 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.161 3.585 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 105 1.397 4.672 -8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.840 3.883 -9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.036 2.754 -8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.318 3.833 -7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.412 6.284 -8.996 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.853 6.334 -7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.733 6.941 -7.803 1.00 0.00 H new ATOM 1416 N THR A 106 -0.911 3.870 -3.785 1.00 0.00 N ATOM 1417 CA THR A 106 -1.993 3.036 -3.311 1.00 0.00 C ATOM 1418 C THR A 106 -2.934 3.825 -2.409 1.00 0.00 C ATOM 1419 O THR A 106 -3.805 3.263 -1.754 1.00 0.00 O ATOM 1420 CB THR A 106 -1.434 1.831 -2.545 1.00 0.00 C ATOM 1421 OG1 THR A 106 -0.608 2.289 -1.464 1.00 0.00 O ATOM 1422 CG2 THR A 106 -0.613 0.958 -3.470 1.00 0.00 C ATOM 0 H THR A 106 -0.103 3.893 -3.163 1.00 0.00 H new ATOM 0 HA THR A 106 -2.555 2.686 -4.177 1.00 0.00 H new ATOM 0 HB THR A 106 -2.266 1.248 -2.150 1.00 0.00 H new ATOM 0 HG1 THR A 106 -0.321 1.523 -0.924 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.222 0.106 -2.914 1.00 0.00 H new ATOM 0 HG22 THR A 106 -1.241 0.601 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.216 1.537 -3.877 1.00 0.00 H new ATOM 1430 N GLU A 107 -2.739 5.128 -2.372 1.00 0.00 N ATOM 1431 CA GLU A 107 -3.618 6.018 -1.635 1.00 0.00 C ATOM 1432 C GLU A 107 -3.730 7.336 -2.374 1.00 0.00 C ATOM 1433 O GLU A 107 -2.821 7.710 -3.108 1.00 0.00 O ATOM 1434 CB GLU A 107 -3.109 6.272 -0.210 1.00 0.00 C ATOM 1435 CG GLU A 107 -3.279 5.093 0.735 1.00 0.00 C ATOM 1436 CD GLU A 107 -3.180 5.501 2.198 1.00 0.00 C ATOM 1437 OE1 GLU A 107 -3.808 6.519 2.583 1.00 0.00 O ATOM 1438 OE2 GLU A 107 -2.491 4.803 2.972 1.00 0.00 O ATOM 0 H GLU A 107 -1.971 5.600 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.595 5.540 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -2.053 6.536 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.635 7.133 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.247 4.625 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.517 4.344 0.517 1.00 0.00 H new ATOM 1445 N CYS A 108 -4.853 8.016 -2.207 1.00 0.00 N ATOM 1446 CA CYS A 108 -5.040 9.360 -2.742 1.00 0.00 C ATOM 1447 C CYS A 108 -6.102 10.083 -1.929 1.00 0.00 C ATOM 1448 O CYS A 108 -7.115 9.480 -1.569 1.00 0.00 O ATOM 1449 CB CYS A 108 -5.469 9.319 -4.217 1.00 0.00 C ATOM 1450 SG CYS A 108 -4.220 8.670 -5.352 1.00 0.00 S ATOM 0 H CYS A 108 -5.660 7.655 -1.698 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.089 9.889 -2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.369 8.710 -4.302 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.736 10.328 -4.531 1.00 0.00 H new ATOM 0 HG CYS A 108 -3.249 8.138 -4.671 1.00 0.00 H new ATOM 1456 N TYR A 109 -5.887 11.362 -1.629 1.00 0.00 N ATOM 1457 CA TYR A 109 -6.911 12.137 -0.939 1.00 0.00 C ATOM 1458 C TYR A 109 -7.406 13.260 -1.833 1.00 0.00 C ATOM 1459 O TYR A 109 -6.637 14.099 -2.305 1.00 0.00 O ATOM 1460 CB TYR A 109 -6.378 12.708 0.382 1.00 0.00 C ATOM 1461 CG TYR A 109 -5.853 11.658 1.337 1.00 0.00 C ATOM 1462 CD1 TYR A 109 -6.280 10.342 1.246 1.00 0.00 C ATOM 1463 CD2 TYR A 109 -4.927 11.977 2.319 1.00 0.00 C ATOM 1464 CE1 TYR A 109 -5.801 9.373 2.096 1.00 0.00 C ATOM 1465 CE2 TYR A 109 -4.441 11.010 3.182 1.00 0.00 C ATOM 1466 CZ TYR A 109 -4.883 9.708 3.065 1.00 0.00 C ATOM 1467 OH TYR A 109 -4.396 8.737 3.913 1.00 0.00 O ATOM 0 H TYR A 109 -5.032 11.873 -1.848 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.742 11.471 -0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.580 13.418 0.164 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.175 13.266 0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.004 10.072 0.492 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -4.580 12.995 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -6.144 8.353 2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.720 11.273 3.942 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.233 7.913 3.408 1.00 0.00 H new ATOM 1477 N ASP A 110 -8.709 13.245 -2.052 1.00 0.00 N ATOM 1478 CA ASP A 110 -9.367 14.155 -2.973 1.00 0.00 C ATOM 1479 C ASP A 110 -9.836 15.410 -2.235 1.00 0.00 C ATOM 1480 O ASP A 110 -10.125 15.364 -1.036 1.00 0.00 O ATOM 1481 CB ASP A 110 -10.549 13.437 -3.624 1.00 0.00 C ATOM 1482 CG ASP A 110 -11.474 14.378 -4.357 1.00 0.00 C ATOM 1483 OD1 ASP A 110 -11.049 14.978 -5.364 1.00 0.00 O ATOM 1484 OD2 ASP A 110 -12.614 14.540 -3.901 1.00 0.00 O ATOM 0 H ASP A 110 -9.346 12.595 -1.591 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.665 14.464 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.174 12.688 -4.321 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.112 12.905 -2.857 1.00 0.00 H new ATOM 1489 N GLU A 111 -9.923 16.515 -2.977 1.00 0.00 N ATOM 1490 CA GLU A 111 -10.174 17.848 -2.418 1.00 0.00 C ATOM 1491 C GLU A 111 -11.519 17.930 -1.701 1.00 0.00 C ATOM 1492 O GLU A 111 -11.723 18.794 -0.845 1.00 0.00 O ATOM 1493 CB GLU A 111 -10.149 18.890 -3.536 1.00 0.00 C ATOM 1494 CG GLU A 111 -11.395 18.865 -4.408 1.00 0.00 C ATOM 1495 CD GLU A 111 -11.292 19.790 -5.596 1.00 0.00 C ATOM 1496 OE1 GLU A 111 -11.565 20.998 -5.433 1.00 0.00 O ATOM 1497 OE2 GLU A 111 -10.943 19.322 -6.697 1.00 0.00 O ATOM 0 H GLU A 111 -9.821 16.512 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.387 18.044 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.041 19.882 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.272 18.721 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.568 17.848 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.260 19.146 -3.807 1.00 0.00 H new ATOM 1504 N LEU A 112 -12.436 17.047 -2.067 1.00 0.00 N ATOM 1505 CA LEU A 112 -13.774 17.037 -1.487 1.00 0.00 C ATOM 1506 C LEU A 112 -13.769 16.377 -0.110 1.00 0.00 C ATOM 1507 O LEU A 112 -14.815 16.230 0.527 1.00 0.00 O ATOM 1508 CB LEU A 112 -14.723 16.289 -2.417 1.00 0.00 C ATOM 1509 CG LEU A 112 -14.665 16.730 -3.879 1.00 0.00 C ATOM 1510 CD1 LEU A 112 -15.418 15.745 -4.751 1.00 0.00 C ATOM 1511 CD2 LEU A 112 -15.226 18.131 -4.046 1.00 0.00 C ATOM 0 H LEU A 112 -12.278 16.323 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.110 18.067 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.497 15.224 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.742 16.417 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.621 16.748 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.370 16.069 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -14.967 14.757 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -16.459 15.699 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -15.173 18.421 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -16.265 18.149 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.643 18.830 -3.446 1.00 0.00 H new ATOM 1523 N GLY A 113 -12.587 15.971 0.334 1.00 0.00 N ATOM 1524 CA GLY A 113 -12.447 15.343 1.634 1.00 0.00 C ATOM 1525 C GLY A 113 -12.494 13.838 1.521 1.00 0.00 C ATOM 1526 O GLY A 113 -12.857 13.138 2.470 1.00 0.00 O ATOM 0 H GLY A 113 -11.716 16.066 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -11.504 15.647 2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -13.244 15.686 2.294 1.00 0.00 H new ATOM 1530 N ASN A 114 -12.100 13.345 0.360 1.00 0.00 N ATOM 1531 CA ASN A 114 -12.212 11.932 0.043 1.00 0.00 C ATOM 1532 C ASN A 114 -10.869 11.238 0.182 1.00 0.00 C ATOM 1533 O ASN A 114 -9.824 11.869 0.067 1.00 0.00 O ATOM 1534 CB ASN A 114 -12.720 11.778 -1.386 1.00 0.00 C ATOM 1535 CG ASN A 114 -14.146 12.276 -1.548 1.00 0.00 C ATOM 1536 OD1 ASN A 114 -14.987 12.078 -0.677 1.00 0.00 O ATOM 1537 ND2 ASN A 114 -14.421 12.958 -2.649 1.00 0.00 N ATOM 0 H ASN A 114 -11.695 13.910 -0.387 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.911 11.471 0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.066 12.328 -2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.669 10.729 -1.676 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.357 13.338 -2.793 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.697 13.104 -3.353 1.00 0.00 H new ATOM 1544 N ARG A 115 -10.902 9.938 0.422 1.00 0.00 N ATOM 1545 CA ARG A 115 -9.680 9.155 0.491 1.00 0.00 C ATOM 1546 C ARG A 115 -9.859 7.823 -0.212 1.00 0.00 C ATOM 1547 O ARG A 115 -10.899 7.175 -0.091 1.00 0.00 O ATOM 1548 CB ARG A 115 -9.231 8.935 1.943 1.00 0.00 C ATOM 1549 CG ARG A 115 -10.305 8.381 2.860 1.00 0.00 C ATOM 1550 CD ARG A 115 -9.746 8.094 4.247 1.00 0.00 C ATOM 1551 NE ARG A 115 -10.801 7.850 5.231 1.00 0.00 N ATOM 1552 CZ ARG A 115 -10.781 6.855 6.118 1.00 0.00 C ATOM 1553 NH1 ARG A 115 -9.779 5.980 6.129 1.00 0.00 N ATOM 1554 NH2 ARG A 115 -11.763 6.742 7.003 1.00 0.00 N ATOM 0 H ARG A 115 -11.758 9.404 0.572 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.899 9.720 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.381 8.253 1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.880 9.884 2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.126 9.094 2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.715 7.466 2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.089 7.226 4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.137 8.937 4.572 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.602 8.481 5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -9.018 6.067 5.455 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.772 5.222 6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -12.529 7.415 7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.751 5.982 7.683 1.00 0.00 H new ATOM 1568 N TYR A 116 -8.847 7.438 -0.969 1.00 0.00 N ATOM 1569 CA TYR A 116 -8.842 6.161 -1.654 1.00 0.00 C ATOM 1570 C TYR A 116 -7.701 5.299 -1.157 1.00 0.00 C ATOM 1571 O TYR A 116 -6.573 5.769 -1.024 1.00 0.00 O ATOM 1572 CB TYR A 116 -8.743 6.354 -3.165 1.00 0.00 C ATOM 1573 CG TYR A 116 -10.089 6.498 -3.822 1.00 0.00 C ATOM 1574 CD1 TYR A 116 -10.852 5.375 -4.098 1.00 0.00 C ATOM 1575 CD2 TYR A 116 -10.607 7.744 -4.150 1.00 0.00 C ATOM 1576 CE1 TYR A 116 -12.092 5.484 -4.683 1.00 0.00 C ATOM 1577 CE2 TYR A 116 -11.852 7.860 -4.736 1.00 0.00 C ATOM 1578 CZ TYR A 116 -12.590 6.723 -4.999 1.00 0.00 C ATOM 1579 OH TYR A 116 -13.833 6.826 -5.578 1.00 0.00 O ATOM 0 H TYR A 116 -8.010 8.000 -1.125 1.00 0.00 H new ATOM 0 HA TYR A 116 -9.783 5.655 -1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -8.144 7.240 -3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -8.219 5.504 -3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -10.466 4.397 -3.850 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -10.029 8.633 -3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -12.672 4.597 -4.893 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -12.246 8.834 -4.987 1.00 0.00 H new ATOM 0 HH TYR A 116 -13.838 6.342 -6.430 1.00 0.00 H new ATOM 1589 N GLN A 117 -8.017 4.052 -0.852 1.00 0.00 N ATOM 1590 CA GLN A 117 -7.056 3.117 -0.296 1.00 0.00 C ATOM 1591 C GLN A 117 -6.999 1.885 -1.194 1.00 0.00 C ATOM 1592 O GLN A 117 -8.017 1.232 -1.422 1.00 0.00 O ATOM 1593 CB GLN A 117 -7.484 2.739 1.123 1.00 0.00 C ATOM 1594 CG GLN A 117 -7.984 3.932 1.934 1.00 0.00 C ATOM 1595 CD GLN A 117 -6.868 4.773 2.522 1.00 0.00 C ATOM 1596 OE1 GLN A 117 -6.476 4.579 3.667 1.00 0.00 O ATOM 1597 NE2 GLN A 117 -6.337 5.699 1.744 1.00 0.00 N ATOM 0 H GLN A 117 -8.949 3.659 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 117 -6.064 3.567 -0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.271 1.987 1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.641 2.282 1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.605 4.561 1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.621 3.571 2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -6.689 5.832 0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -5.575 6.281 2.091 1.00 0.00 H new ATOM 1606 N LEU A 118 -5.823 1.584 -1.717 1.00 0.00 N ATOM 1607 CA LEU A 118 -5.697 0.580 -2.758 1.00 0.00 C ATOM 1608 C LEU A 118 -5.138 -0.741 -2.232 1.00 0.00 C ATOM 1609 O LEU A 118 -4.038 -0.786 -1.681 1.00 0.00 O ATOM 1610 CB LEU A 118 -4.811 1.109 -3.892 1.00 0.00 C ATOM 1611 CG LEU A 118 -4.740 0.227 -5.142 1.00 0.00 C ATOM 1612 CD1 LEU A 118 -6.097 0.161 -5.818 1.00 0.00 C ATOM 1613 CD2 LEU A 118 -3.691 0.755 -6.108 1.00 0.00 C ATOM 0 H LEU A 118 -4.944 2.020 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.700 0.379 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.175 2.094 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -3.800 1.244 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 118 -4.453 -0.780 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.031 -0.469 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.828 -0.260 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.408 1.165 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.654 0.116 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -3.950 1.771 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.716 0.757 -5.621 1.00 0.00 H new ATOM 1625 N PRO A 119 -5.915 -1.827 -2.388 1.00 0.00 N ATOM 1626 CA PRO A 119 -5.497 -3.191 -2.034 1.00 0.00 C ATOM 1627 C PRO A 119 -4.441 -3.755 -2.990 1.00 0.00 C ATOM 1628 O PRO A 119 -4.337 -3.342 -4.146 1.00 0.00 O ATOM 1629 CB PRO A 119 -6.802 -4.001 -2.141 1.00 0.00 C ATOM 1630 CG PRO A 119 -7.887 -2.981 -2.162 1.00 0.00 C ATOM 1631 CD PRO A 119 -7.296 -1.808 -2.879 1.00 0.00 C ATOM 0 HA PRO A 119 -5.031 -3.227 -1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.815 -4.610 -3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.915 -4.681 -1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -8.771 -3.355 -2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.197 -2.712 -1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.347 -1.921 -3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -7.806 -0.877 -2.631 1.00 0.00 H new ATOM 1639 N VAL A 120 -3.678 -4.727 -2.486 1.00 0.00 N ATOM 1640 CA VAL A 120 -2.517 -5.277 -3.194 1.00 0.00 C ATOM 1641 C VAL A 120 -2.900 -6.055 -4.444 1.00 0.00 C ATOM 1642 O VAL A 120 -2.067 -6.261 -5.321 1.00 0.00 O ATOM 1643 CB VAL A 120 -1.682 -6.216 -2.296 1.00 0.00 C ATOM 1644 CG1 VAL A 120 -1.228 -5.506 -1.040 1.00 0.00 C ATOM 1645 CG2 VAL A 120 -2.454 -7.479 -1.951 1.00 0.00 C ATOM 0 H VAL A 120 -3.846 -5.156 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.928 -4.405 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.796 -6.508 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.642 -6.191 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.615 -4.646 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -2.099 -5.169 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.840 -8.119 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -3.368 -7.213 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.709 -8.011 -2.867 1.00 0.00 H new ATOM 1655 N TYR A 121 -4.160 -6.465 -4.529 1.00 0.00 N ATOM 1656 CA TYR A 121 -4.606 -7.381 -5.577 1.00 0.00 C ATOM 1657 C TYR A 121 -4.403 -6.781 -6.973 1.00 0.00 C ATOM 1658 O TYR A 121 -4.385 -7.498 -7.970 1.00 0.00 O ATOM 1659 CB TYR A 121 -6.083 -7.748 -5.366 1.00 0.00 C ATOM 1660 CG TYR A 121 -7.045 -6.705 -5.888 1.00 0.00 C ATOM 1661 CD1 TYR A 121 -7.112 -5.446 -5.314 1.00 0.00 C ATOM 1662 CD2 TYR A 121 -7.869 -6.976 -6.974 1.00 0.00 C ATOM 1663 CE1 TYR A 121 -7.974 -4.487 -5.800 1.00 0.00 C ATOM 1664 CE2 TYR A 121 -8.737 -6.021 -7.465 1.00 0.00 C ATOM 1665 CZ TYR A 121 -8.784 -4.777 -6.877 1.00 0.00 C ATOM 1666 OH TYR A 121 -9.647 -3.825 -7.367 1.00 0.00 O ATOM 0 H TYR A 121 -4.895 -6.177 -3.883 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.999 -8.284 -5.512 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -6.287 -8.698 -5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -6.264 -7.897 -4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.478 -5.212 -4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -7.830 -7.949 -7.441 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -8.015 -3.511 -5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -9.376 -6.249 -8.306 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.143 -4.194 -8.128 1.00 0.00 H new ATOM 1676 N CYS A 122 -4.234 -5.466 -7.029 1.00 0.00 N ATOM 1677 CA CYS A 122 -4.097 -4.764 -8.293 1.00 0.00 C ATOM 1678 C CYS A 122 -2.636 -4.380 -8.566 1.00 0.00 C ATOM 1679 O CYS A 122 -2.321 -3.802 -9.606 1.00 0.00 O ATOM 1680 CB CYS A 122 -4.994 -3.518 -8.274 1.00 0.00 C ATOM 1681 SG CYS A 122 -4.878 -2.475 -9.747 1.00 0.00 S ATOM 0 H CYS A 122 -4.189 -4.864 -6.207 1.00 0.00 H new ATOM 0 HA CYS A 122 -4.410 -5.426 -9.100 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -6.030 -3.835 -8.152 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -4.739 -2.918 -7.400 1.00 0.00 H new ATOM 0 HG CYS A 122 -3.687 -2.576 -10.257 1.00 0.00 H new ATOM 1687 N LEU A 123 -1.739 -4.718 -7.642 1.00 0.00 N ATOM 1688 CA LEU A 123 -0.341 -4.314 -7.770 1.00 0.00 C ATOM 1689 C LEU A 123 0.629 -5.439 -7.412 1.00 0.00 C ATOM 1690 O LEU A 123 1.504 -5.788 -8.206 1.00 0.00 O ATOM 1691 CB LEU A 123 -0.053 -3.101 -6.883 1.00 0.00 C ATOM 1692 CG LEU A 123 -0.641 -1.775 -7.366 1.00 0.00 C ATOM 1693 CD1 LEU A 123 -0.333 -0.678 -6.368 1.00 0.00 C ATOM 1694 CD2 LEU A 123 -0.088 -1.404 -8.734 1.00 0.00 C ATOM 0 H LEU A 123 -1.951 -5.264 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.185 -4.058 -8.818 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.436 -3.305 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.027 -2.988 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 123 -1.722 -1.889 -7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -0.755 0.263 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -0.768 -0.932 -5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.747 -0.574 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -0.521 -0.457 -9.057 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.996 -1.306 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.342 -2.183 -9.453 1.00 0.00 H new ATOM 1706 N ALA A 124 0.471 -6.003 -6.220 1.00 0.00 N ATOM 1707 CA ALA A 124 1.448 -6.940 -5.686 1.00 0.00 C ATOM 1708 C ALA A 124 0.774 -8.162 -5.074 1.00 0.00 C ATOM 1709 O ALA A 124 0.004 -8.036 -4.124 1.00 0.00 O ATOM 1710 CB ALA A 124 2.310 -6.243 -4.644 1.00 0.00 C ATOM 0 H ALA A 124 -0.325 -5.827 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 124 2.074 -7.283 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.041 -6.947 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.830 -5.403 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.678 -5.879 -3.834 1.00 0.00 H new ATOM 1716 N PRO A 125 1.059 -9.363 -5.602 1.00 0.00 N ATOM 1717 CA PRO A 125 0.507 -10.607 -5.084 1.00 0.00 C ATOM 1718 C PRO A 125 1.437 -11.472 -4.182 1.00 0.00 C ATOM 1719 O PRO A 125 1.183 -12.673 -4.062 1.00 0.00 O ATOM 1720 CB PRO A 125 0.221 -11.351 -6.384 1.00 0.00 C ATOM 1721 CG PRO A 125 1.310 -10.920 -7.329 1.00 0.00 C ATOM 1722 CD PRO A 125 1.871 -9.617 -6.801 1.00 0.00 C ATOM 0 HA PRO A 125 -0.330 -10.406 -4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 125 0.235 -12.430 -6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.764 -11.097 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 125 2.090 -11.679 -7.389 1.00 0.00 H new ATOM 0 HG3 PRO A 125 0.915 -10.789 -8.337 1.00 0.00 H new ATOM 0 HD2 PRO A 125 2.930 -9.703 -6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.775 -8.812 -7.530 1.00 0.00 H new ATOM 1730 N PRO A 126 2.515 -10.946 -3.526 1.00 0.00 N ATOM 1731 CA PRO A 126 3.309 -11.773 -2.607 1.00 0.00 C ATOM 1732 C PRO A 126 2.538 -12.109 -1.333 1.00 0.00 C ATOM 1733 O PRO A 126 2.664 -13.205 -0.785 1.00 0.00 O ATOM 1734 CB PRO A 126 4.532 -10.909 -2.287 1.00 0.00 C ATOM 1735 CG PRO A 126 4.086 -9.512 -2.528 1.00 0.00 C ATOM 1736 CD PRO A 126 3.070 -9.584 -3.632 1.00 0.00 C ATOM 0 HA PRO A 126 3.570 -12.734 -3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.855 -11.048 -1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 126 5.377 -11.169 -2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 126 3.652 -9.080 -1.626 1.00 0.00 H new ATOM 0 HG3 PRO A 126 4.926 -8.878 -2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.295 -8.828 -3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.528 -9.416 -4.606 1.00 0.00 H new ATOM 1744 N ILE A 127 1.712 -11.166 -0.887 1.00 0.00 N ATOM 1745 CA ILE A 127 0.896 -11.352 0.307 1.00 0.00 C ATOM 1746 C ILE A 127 -0.366 -12.146 -0.016 1.00 0.00 C ATOM 1747 O ILE A 127 -1.480 -11.746 0.315 1.00 0.00 O ATOM 1748 CB ILE A 127 0.509 -10.012 0.988 1.00 0.00 C ATOM 1749 CG1 ILE A 127 0.045 -8.956 -0.035 1.00 0.00 C ATOM 1750 CG2 ILE A 127 1.671 -9.491 1.816 1.00 0.00 C ATOM 1751 CD1 ILE A 127 1.168 -8.215 -0.740 1.00 0.00 C ATOM 0 H ILE A 127 1.591 -10.260 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 127 1.511 -11.912 1.011 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.336 -10.207 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.575 -9.446 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -0.587 -8.229 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 127 1.388 -8.551 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.927 -10.221 2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.533 -9.327 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 127 0.745 -7.494 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.777 -7.692 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 127 1.789 -8.927 -1.284 1.00 0.00 H new ATOM 1763 N ASN A 128 -0.167 -13.278 -0.668 1.00 0.00 N ATOM 1764 CA ASN A 128 -1.263 -14.160 -1.036 1.00 0.00 C ATOM 1765 C ASN A 128 -1.053 -15.545 -0.429 1.00 0.00 C ATOM 1766 O ASN A 128 -1.992 -16.161 0.073 1.00 0.00 O ATOM 1767 CB ASN A 128 -1.376 -14.266 -2.561 1.00 0.00 C ATOM 1768 CG ASN A 128 -2.603 -15.042 -3.004 1.00 0.00 C ATOM 1769 OD1 ASN A 128 -3.647 -15.015 -2.349 1.00 0.00 O ATOM 1770 ND2 ASN A 128 -2.486 -15.743 -4.121 1.00 0.00 N ATOM 0 H ASN A 128 0.753 -13.611 -0.956 1.00 0.00 H new ATOM 0 HA ASN A 128 -2.190 -13.741 -0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -1.410 -13.264 -2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -0.483 -14.751 -2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -3.277 -16.286 -4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -1.605 -15.740 -4.635 1.00 0.00 H new ATOM 1777 N MET A 129 0.184 -16.032 -0.477 1.00 0.00 N ATOM 1778 CA MET A 129 0.515 -17.333 0.087 1.00 0.00 C ATOM 1779 C MET A 129 1.036 -17.178 1.512 1.00 0.00 C ATOM 1780 O MET A 129 0.579 -17.859 2.429 1.00 0.00 O ATOM 1781 CB MET A 129 1.563 -18.035 -0.781 1.00 0.00 C ATOM 1782 CG MET A 129 1.964 -19.415 -0.283 1.00 0.00 C ATOM 1783 SD MET A 129 0.746 -20.700 -0.651 1.00 0.00 S ATOM 1784 CE MET A 129 -0.509 -20.391 0.590 1.00 0.00 C ATOM 0 H MET A 129 0.972 -15.543 -0.901 1.00 0.00 H new ATOM 0 HA MET A 129 -0.390 -17.941 0.110 1.00 0.00 H new ATOM 0 HB2 MET A 129 1.176 -18.126 -1.796 1.00 0.00 H new ATOM 0 HB3 MET A 129 2.453 -17.408 -0.834 1.00 0.00 H new ATOM 0 HG2 MET A 129 2.918 -19.691 -0.732 1.00 0.00 H new ATOM 0 HG3 MET A 129 2.120 -19.372 0.795 1.00 0.00 H new ATOM 0 HE1 MET A 129 -0.918 -21.340 0.938 1.00 0.00 H new ATOM 0 HE2 MET A 129 -0.066 -19.856 1.430 1.00 0.00 H new ATOM 0 HE3 MET A 129 -1.308 -19.789 0.157 1.00 0.00 H new ATOM 1794 N ILE A 130 2.000 -16.270 1.675 1.00 0.00 N ATOM 1795 CA ILE A 130 2.569 -15.929 2.983 1.00 0.00 C ATOM 1796 C ILE A 130 3.457 -17.039 3.512 1.00 0.00 C ATOM 1797 O ILE A 130 4.685 -16.927 3.498 1.00 0.00 O ATOM 1798 CB ILE A 130 1.480 -15.614 4.044 1.00 0.00 C ATOM 1799 CG1 ILE A 130 0.549 -14.520 3.560 1.00 0.00 C ATOM 1800 CG2 ILE A 130 2.110 -15.210 5.356 1.00 0.00 C ATOM 1801 CD1 ILE A 130 1.274 -13.359 2.938 1.00 0.00 C ATOM 0 H ILE A 130 2.411 -15.748 0.901 1.00 0.00 H new ATOM 0 HA ILE A 130 3.164 -15.031 2.818 1.00 0.00 H new ATOM 0 HB ILE A 130 0.898 -16.522 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.146 -14.939 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.047 -14.161 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 130 1.328 -14.994 6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 130 2.735 -16.023 5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 130 2.722 -14.321 5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 130 0.551 -12.611 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.949 -12.917 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.848 -13.707 2.079 1.00 0.00 H new ATOM 1813 N GLU A 131 2.824 -18.108 3.949 1.00 0.00 N ATOM 1814 CA GLU A 131 3.518 -19.206 4.601 1.00 0.00 C ATOM 1815 C GLU A 131 4.267 -20.081 3.600 1.00 0.00 C ATOM 1816 O GLU A 131 3.877 -21.215 3.315 1.00 0.00 O ATOM 1817 CB GLU A 131 2.547 -20.034 5.436 1.00 0.00 C ATOM 1818 CG GLU A 131 1.192 -20.208 4.787 1.00 0.00 C ATOM 1819 CD GLU A 131 0.340 -21.244 5.487 1.00 0.00 C ATOM 1820 OE1 GLU A 131 -0.142 -20.971 6.607 1.00 0.00 O ATOM 1821 OE2 GLU A 131 0.169 -22.348 4.932 1.00 0.00 O ATOM 0 H GLU A 131 1.817 -18.243 3.864 1.00 0.00 H new ATOM 0 HA GLU A 131 4.264 -18.774 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 131 2.983 -21.016 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 131 2.417 -19.557 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 131 0.668 -19.252 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 131 1.327 -20.498 3.745 1.00 0.00 H new ATOM 1828 N GLU A 132 5.340 -19.523 3.062 1.00 0.00 N ATOM 1829 CA GLU A 132 6.263 -20.261 2.219 1.00 0.00 C ATOM 1830 C GLU A 132 7.358 -20.870 3.079 1.00 0.00 C ATOM 1831 O GLU A 132 7.388 -20.672 4.295 1.00 0.00 O ATOM 1832 CB GLU A 132 6.886 -19.334 1.175 1.00 0.00 C ATOM 1833 CG GLU A 132 5.939 -18.957 0.050 1.00 0.00 C ATOM 1834 CD GLU A 132 5.694 -20.105 -0.906 1.00 0.00 C ATOM 1835 OE1 GLU A 132 4.763 -20.898 -0.673 1.00 0.00 O ATOM 1836 OE2 GLU A 132 6.447 -20.226 -1.894 1.00 0.00 O ATOM 0 H GLU A 132 5.594 -18.545 3.199 1.00 0.00 H new ATOM 0 HA GLU A 132 5.717 -21.052 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 132 7.230 -18.425 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.765 -19.818 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 132 4.989 -18.630 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.351 -18.111 -0.500 1.00 0.00 H new ATOM 1843 N LYS A 133 8.277 -21.582 2.444 1.00 0.00 N ATOM 1844 CA LYS A 133 9.355 -22.235 3.170 1.00 0.00 C ATOM 1845 C LYS A 133 10.515 -21.277 3.394 1.00 0.00 C ATOM 1846 O LYS A 133 11.671 -21.683 3.474 1.00 0.00 O ATOM 1847 CB LYS A 133 9.819 -23.494 2.443 1.00 0.00 C ATOM 1848 CG LYS A 133 9.489 -24.775 3.198 1.00 0.00 C ATOM 1849 CD LYS A 133 10.706 -25.381 3.880 1.00 0.00 C ATOM 1850 CE LYS A 133 11.342 -24.417 4.870 1.00 0.00 C ATOM 1851 NZ LYS A 133 12.417 -25.070 5.661 1.00 0.00 N ATOM 0 H LYS A 133 8.298 -21.722 1.434 1.00 0.00 H new ATOM 0 HA LYS A 133 8.972 -22.534 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 133 9.354 -23.530 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 133 10.896 -23.439 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 133 8.725 -24.565 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 133 9.066 -25.502 2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 133 10.414 -26.294 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 133 11.441 -25.664 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 133 11.754 -23.563 4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 133 10.577 -24.031 5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 13.126 -24.360 5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 12.008 -25.499 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 12.871 -25.808 5.086 1.00 0.00 H new ATOM 1865 N SER A 134 10.189 -20.004 3.494 1.00 0.00 N ATOM 1866 CA SER A 134 11.149 -19.002 3.890 1.00 0.00 C ATOM 1867 C SER A 134 11.297 -19.017 5.403 1.00 0.00 C ATOM 1868 O SER A 134 12.272 -18.501 5.955 1.00 0.00 O ATOM 1869 CB SER A 134 10.705 -17.629 3.395 1.00 0.00 C ATOM 1870 OG SER A 134 9.307 -17.452 3.569 1.00 0.00 O ATOM 0 H SER A 134 9.256 -19.640 3.304 1.00 0.00 H new ATOM 0 HA SER A 134 12.118 -19.223 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 134 11.244 -16.852 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 134 10.961 -17.518 2.341 1.00 0.00 H new ATOM 0 HG SER A 134 9.047 -16.564 3.246 1.00 0.00 H new ATOM 1876 N ASP A 135 10.316 -19.633 6.063 1.00 0.00 N ATOM 1877 CA ASP A 135 10.340 -19.803 7.510 1.00 0.00 C ATOM 1878 C ASP A 135 9.352 -20.871 7.949 1.00 0.00 C ATOM 1879 O ASP A 135 9.692 -21.761 8.727 1.00 0.00 O ATOM 1880 CB ASP A 135 10.012 -18.486 8.223 1.00 0.00 C ATOM 1881 CG ASP A 135 9.954 -18.644 9.734 1.00 0.00 C ATOM 1882 OD1 ASP A 135 11.008 -18.512 10.394 1.00 0.00 O ATOM 1883 OD2 ASP A 135 8.855 -18.910 10.270 1.00 0.00 O ATOM 0 H ASP A 135 9.490 -20.024 5.611 1.00 0.00 H new ATOM 0 HA ASP A 135 11.348 -20.115 7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 135 10.765 -17.740 7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 135 9.055 -18.110 7.863 1.00 0.00 H new ATOM 1888 N ILE A 136 8.126 -20.779 7.447 1.00 0.00 N ATOM 1889 CA ILE A 136 7.060 -21.681 7.861 1.00 0.00 C ATOM 1890 C ILE A 136 7.332 -23.115 7.416 1.00 0.00 C ATOM 1891 O ILE A 136 7.784 -23.361 6.294 1.00 0.00 O ATOM 1892 CB ILE A 136 5.697 -21.235 7.299 1.00 0.00 C ATOM 1893 CG1 ILE A 136 5.486 -19.737 7.539 1.00 0.00 C ATOM 1894 CG2 ILE A 136 4.571 -22.045 7.937 1.00 0.00 C ATOM 1895 CD1 ILE A 136 5.356 -19.359 8.997 1.00 0.00 C ATOM 0 H ILE A 136 7.846 -20.087 6.752 1.00 0.00 H new ATOM 0 HA ILE A 136 7.031 -21.645 8.950 1.00 0.00 H new ATOM 0 HB ILE A 136 5.686 -21.416 6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.323 -19.189 7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 136 4.588 -19.418 7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 136 3.613 -21.719 7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 136 4.716 -23.103 7.720 1.00 0.00 H new ATOM 0 HG23 ILE A 136 4.578 -21.891 9.016 1.00 0.00 H new ATOM 0 HD11 ILE A 136 5.209 -18.282 9.082 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.502 -19.877 9.432 1.00 0.00 H new ATOM 0 HD13 ILE A 136 6.263 -19.645 9.529 1.00 0.00 H new ATOM 1907 N GLU A 137 7.051 -24.052 8.311 1.00 0.00 N ATOM 1908 CA GLU A 137 7.216 -25.470 8.033 1.00 0.00 C ATOM 1909 C GLU A 137 6.047 -26.245 8.623 1.00 0.00 C ATOM 1910 O GLU A 137 5.343 -26.970 7.918 1.00 0.00 O ATOM 1911 CB GLU A 137 8.524 -25.999 8.628 1.00 0.00 C ATOM 1912 CG GLU A 137 9.765 -25.255 8.167 1.00 0.00 C ATOM 1913 CD GLU A 137 11.035 -25.828 8.760 1.00 0.00 C ATOM 1914 OE1 GLU A 137 11.130 -25.923 10.000 1.00 0.00 O ATOM 1915 OE2 GLU A 137 11.949 -26.183 7.988 1.00 0.00 O ATOM 0 H GLU A 137 6.703 -23.850 9.248 1.00 0.00 H new ATOM 0 HA GLU A 137 7.247 -25.604 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 137 8.464 -25.944 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 137 8.628 -27.052 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 137 9.825 -25.294 7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 137 9.679 -24.204 8.444 1.00 0.00 H new ATOM 1922 N THR A 138 5.846 -26.069 9.923 1.00 0.00 N ATOM 1923 CA THR A 138 4.807 -26.773 10.656 1.00 0.00 C ATOM 1924 C THR A 138 4.329 -25.941 11.844 1.00 0.00 C ATOM 1925 O THR A 138 5.010 -25.858 12.869 1.00 0.00 O ATOM 1926 CB THR A 138 5.321 -28.131 11.177 1.00 0.00 C ATOM 1927 OG1 THR A 138 5.867 -28.903 10.097 1.00 0.00 O ATOM 1928 CG2 THR A 138 4.199 -28.907 11.839 1.00 0.00 C ATOM 0 H THR A 138 6.400 -25.433 10.497 1.00 0.00 H new ATOM 0 HA THR A 138 3.979 -26.941 9.967 1.00 0.00 H new ATOM 0 HB THR A 138 6.102 -27.940 11.913 1.00 0.00 H new ATOM 0 HG1 THR A 138 6.191 -29.762 10.440 1.00 0.00 H new ATOM 0 HG21 THR A 138 4.581 -29.862 12.200 1.00 0.00 H new ATOM 0 HG22 THR A 138 3.805 -28.333 12.678 1.00 0.00 H new ATOM 0 HG23 THR A 138 3.403 -29.085 11.116 1.00 0.00 H new ATOM 1936 N LEU A 139 3.174 -25.303 11.707 1.00 0.00 N ATOM 1937 CA LEU A 139 2.581 -24.581 12.820 1.00 0.00 C ATOM 1938 C LEU A 139 1.720 -25.529 13.644 1.00 0.00 C ATOM 1939 O LEU A 139 0.495 -25.555 13.514 1.00 0.00 O ATOM 1940 CB LEU A 139 1.736 -23.400 12.338 1.00 0.00 C ATOM 1941 CG LEU A 139 1.193 -22.514 13.463 1.00 0.00 C ATOM 1942 CD1 LEU A 139 2.312 -21.698 14.094 1.00 0.00 C ATOM 1943 CD2 LEU A 139 0.083 -21.613 12.952 1.00 0.00 C ATOM 0 H LEU A 139 2.634 -25.272 10.842 1.00 0.00 H new ATOM 0 HA LEU A 139 3.389 -24.185 13.435 1.00 0.00 H new ATOM 0 HB2 LEU A 139 2.338 -22.787 11.667 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.898 -23.782 11.755 1.00 0.00 H new ATOM 0 HG LEU A 139 0.772 -23.160 14.233 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.904 -21.076 14.891 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.064 -22.370 14.508 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.771 -21.063 13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -0.287 -20.993 13.768 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.469 -20.974 12.158 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.731 -22.224 12.562 1.00 0.00 H new ATOM 1955 N ASP A 140 2.369 -26.331 14.469 1.00 0.00 N ATOM 1956 CA ASP A 140 1.656 -27.270 15.321 1.00 0.00 C ATOM 1957 C ASP A 140 1.554 -26.717 16.732 1.00 0.00 C ATOM 1958 O ASP A 140 0.617 -27.025 17.470 1.00 0.00 O ATOM 1959 CB ASP A 140 2.362 -28.623 15.332 1.00 0.00 C ATOM 1960 CG ASP A 140 1.546 -29.686 16.036 1.00 0.00 C ATOM 1961 OD1 ASP A 140 0.509 -30.105 15.480 1.00 0.00 O ATOM 1962 OD2 ASP A 140 1.941 -30.118 17.139 1.00 0.00 O ATOM 0 H ASP A 140 3.384 -26.352 14.568 1.00 0.00 H new ATOM 0 HA ASP A 140 0.651 -27.410 14.923 1.00 0.00 H new ATOM 0 HB2 ASP A 140 2.558 -28.937 14.307 1.00 0.00 H new ATOM 0 HB3 ASP A 140 3.329 -28.523 15.825 1.00 0.00 H new ATOM 1967 N ILE A 141 2.524 -25.894 17.093 1.00 0.00 N ATOM 1968 CA ILE A 141 2.546 -25.257 18.400 1.00 0.00 C ATOM 1969 C ILE A 141 2.086 -23.806 18.305 1.00 0.00 C ATOM 1970 O ILE A 141 2.867 -22.957 17.825 1.00 0.00 O ATOM 1971 CB ILE A 141 3.945 -25.322 19.047 1.00 0.00 C ATOM 1972 CG1 ILE A 141 5.047 -25.110 18.003 1.00 0.00 C ATOM 1973 CG2 ILE A 141 4.108 -26.654 19.759 1.00 0.00 C ATOM 1974 CD1 ILE A 141 6.446 -25.058 18.585 1.00 0.00 C ATOM 0 H ILE A 141 3.313 -25.650 16.494 1.00 0.00 H new ATOM 0 HA ILE A 141 1.854 -25.810 19.035 1.00 0.00 H new ATOM 0 HB ILE A 141 4.038 -24.518 19.777 1.00 0.00 H new ATOM 0 HG12 ILE A 141 4.999 -25.916 17.270 1.00 0.00 H new ATOM 0 HG13 ILE A 141 4.852 -24.181 17.468 1.00 0.00 H new ATOM 0 HG21 ILE A 141 5.096 -26.703 20.217 1.00 0.00 H new ATOM 0 HG22 ILE A 141 3.345 -26.750 20.531 1.00 0.00 H new ATOM 0 HG23 ILE A 141 4.001 -27.466 19.040 1.00 0.00 H new ATOM 0 HD11 ILE A 141 7.168 -24.906 17.783 1.00 0.00 H new ATOM 0 HD12 ILE A 141 6.514 -24.234 19.296 1.00 0.00 H new ATOM 0 HD13 ILE A 141 6.663 -25.996 19.095 1.00 0.00 H new TER 1986 ILE A 141