USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 942 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 24 GLN : amide:sc= -0.675 K(o=0.44,f=-8.2!) USER MOD Set 1.2: A 25 THR OG1 : rot 3:sc= 1.12 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.18) USER MOD Single : A 15 GLN : amide:sc= -0.0554 K(o=-0.055,f=-0.65) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 22 GLN : amide:sc= -0.0959 X(o=-0.096,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.406 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00131) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= -0.0607 (180deg=-0.421) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -129:sc= -5.25! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -24:sc= 0.175 USER MOD Single : A 88 THR OG1 : rot -78:sc= 0.0187 USER MOD Single : A 89 SER OG : rot 180:sc=-0.00322 USER MOD Single : A 95 THR OG1 : rot -25:sc= 0.762 USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= -0.0117 (180deg=-0.272) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.772 K(o=-0.77,f=-3.8!) USER MOD Single : A 117 CYS SG : rot -26:sc= 0.14 USER MOD Single : A 122 SER OG : rot -81:sc= -0.02 USER MOD Single : A 125 SER OG : rot 30:sc= 0.173 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.529 23.494 22.837 1.00 0.00 N ATOM 2 CA GLY A 1 -5.995 22.144 22.825 1.00 0.00 C ATOM 3 C GLY A 1 -6.265 21.403 24.120 1.00 0.00 C ATOM 4 O GLY A 1 -5.593 21.631 25.125 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.319 23.959 21.931 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.559 23.459 22.977 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.092 24.033 23.612 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.433 21.590 21.995 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.920 22.183 22.650 1.00 0.00 H new ATOM 8 N SER A 2 -7.253 20.514 24.096 1.00 0.00 N ATOM 9 CA SER A 2 -7.613 19.740 25.279 1.00 0.00 C ATOM 10 C SER A 2 -7.512 18.244 25.001 1.00 0.00 C ATOM 11 O SER A 2 -8.433 17.639 24.453 1.00 0.00 O ATOM 12 CB SER A 2 -9.032 20.092 25.730 1.00 0.00 C ATOM 13 OG SER A 2 -9.425 19.300 26.838 1.00 0.00 O ATOM 0 H SER A 2 -7.818 20.312 23.271 1.00 0.00 H new ATOM 0 HA SER A 2 -6.912 19.991 26.075 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.081 21.148 25.998 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.728 19.940 24.905 1.00 0.00 H new ATOM 0 HG SER A 2 -10.335 19.545 27.109 1.00 0.00 H new ATOM 19 N SER A 3 -6.384 17.653 25.383 1.00 0.00 N ATOM 20 CA SER A 3 -6.159 16.227 25.172 1.00 0.00 C ATOM 21 C SER A 3 -5.384 15.622 26.339 1.00 0.00 C ATOM 22 O SER A 3 -4.849 16.339 27.183 1.00 0.00 O ATOM 23 CB SER A 3 -5.397 15.998 23.865 1.00 0.00 C ATOM 24 OG SER A 3 -6.217 16.272 22.743 1.00 0.00 O ATOM 0 H SER A 3 -5.612 18.139 25.840 1.00 0.00 H new ATOM 0 HA SER A 3 -7.130 15.735 25.109 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.514 16.636 23.839 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.047 14.967 23.820 1.00 0.00 H new ATOM 0 HG SER A 3 -5.707 16.120 21.920 1.00 0.00 H new ATOM 30 N GLY A 4 -5.329 14.294 26.379 1.00 0.00 N ATOM 31 CA GLY A 4 -4.618 13.612 27.445 1.00 0.00 C ATOM 32 C GLY A 4 -4.754 12.105 27.361 1.00 0.00 C ATOM 33 O GLY A 4 -5.307 11.577 26.396 1.00 0.00 O ATOM 0 H GLY A 4 -5.764 13.678 25.692 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.563 13.881 27.404 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.997 13.955 28.408 1.00 0.00 H new ATOM 37 N SER A 5 -4.246 11.409 28.373 1.00 0.00 N ATOM 38 CA SER A 5 -4.308 9.953 28.407 1.00 0.00 C ATOM 39 C SER A 5 -5.724 9.462 28.121 1.00 0.00 C ATOM 40 O SER A 5 -6.671 9.826 28.818 1.00 0.00 O ATOM 41 CB SER A 5 -3.841 9.433 29.768 1.00 0.00 C ATOM 42 OG SER A 5 -2.530 9.882 30.063 1.00 0.00 O ATOM 0 H SER A 5 -3.787 11.830 29.180 1.00 0.00 H new ATOM 0 HA SER A 5 -3.645 9.568 27.632 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.528 9.770 30.545 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.865 8.343 29.772 1.00 0.00 H new ATOM 0 HG SER A 5 -2.256 9.538 30.938 1.00 0.00 H new ATOM 48 N SER A 6 -5.860 8.634 27.091 1.00 0.00 N ATOM 49 CA SER A 6 -7.160 8.096 26.709 1.00 0.00 C ATOM 50 C SER A 6 -7.412 6.753 27.387 1.00 0.00 C ATOM 51 O SER A 6 -8.476 6.525 27.962 1.00 0.00 O ATOM 52 CB SER A 6 -7.244 7.937 25.189 1.00 0.00 C ATOM 53 OG SER A 6 -7.582 9.164 24.566 1.00 0.00 O ATOM 0 H SER A 6 -5.086 8.321 26.506 1.00 0.00 H new ATOM 0 HA SER A 6 -7.927 8.798 27.036 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.288 7.581 24.804 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.989 7.182 24.940 1.00 0.00 H new ATOM 0 HG SER A 6 -7.628 9.036 23.595 1.00 0.00 H new ATOM 59 N GLY A 7 -6.425 5.865 27.314 1.00 0.00 N ATOM 60 CA GLY A 7 -6.558 4.555 27.924 1.00 0.00 C ATOM 61 C GLY A 7 -5.984 3.451 27.058 1.00 0.00 C ATOM 62 O GLY A 7 -4.805 3.117 27.169 1.00 0.00 O ATOM 0 H GLY A 7 -5.535 6.030 26.843 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.053 4.554 28.890 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.612 4.352 28.115 1.00 0.00 H new ATOM 66 N MET A 8 -6.820 2.883 26.195 1.00 0.00 N ATOM 67 CA MET A 8 -6.388 1.810 25.308 1.00 0.00 C ATOM 68 C MET A 8 -5.387 2.325 24.279 1.00 0.00 C ATOM 69 O MET A 8 -4.334 1.724 24.067 1.00 0.00 O ATOM 70 CB MET A 8 -7.593 1.189 24.598 1.00 0.00 C ATOM 71 CG MET A 8 -8.396 2.187 23.780 1.00 0.00 C ATOM 72 SD MET A 8 -9.871 1.455 23.045 1.00 0.00 S ATOM 73 CE MET A 8 -10.017 2.423 21.545 1.00 0.00 C ATOM 0 H MET A 8 -7.800 3.148 26.091 1.00 0.00 H new ATOM 0 HA MET A 8 -5.900 1.047 25.914 1.00 0.00 H new ATOM 0 HB2 MET A 8 -7.246 0.390 23.943 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.246 0.731 25.341 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.688 3.022 24.417 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.765 2.595 22.990 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.886 2.088 20.979 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.134 3.476 21.801 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.119 2.295 20.940 1.00 0.00 H new ATOM 83 N GLY A 9 -5.722 3.442 23.641 1.00 0.00 N ATOM 84 CA GLY A 9 -4.842 4.019 22.641 1.00 0.00 C ATOM 85 C GLY A 9 -5.596 4.528 21.429 1.00 0.00 C ATOM 86 O GLY A 9 -6.530 3.881 20.954 1.00 0.00 O ATOM 0 H GLY A 9 -6.588 3.958 23.799 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.280 4.840 23.086 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.116 3.270 22.325 1.00 0.00 H new ATOM 90 N ASP A 10 -5.193 5.690 20.928 1.00 0.00 N ATOM 91 CA ASP A 10 -5.838 6.286 19.764 1.00 0.00 C ATOM 92 C ASP A 10 -4.820 6.563 18.661 1.00 0.00 C ATOM 93 O ASP A 10 -3.922 7.387 18.825 1.00 0.00 O ATOM 94 CB ASP A 10 -6.549 7.583 20.156 1.00 0.00 C ATOM 95 CG ASP A 10 -7.699 7.916 19.226 1.00 0.00 C ATOM 96 OD1 ASP A 10 -8.685 7.150 19.203 1.00 0.00 O ATOM 97 OD2 ASP A 10 -7.613 8.944 18.522 1.00 0.00 O ATOM 0 H ASP A 10 -4.422 6.238 21.310 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.574 5.577 19.385 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.924 7.495 21.176 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.831 8.403 20.150 1.00 0.00 H new ATOM 102 N GLY A 11 -4.968 5.866 17.538 1.00 0.00 N ATOM 103 CA GLY A 11 -4.055 6.050 16.426 1.00 0.00 C ATOM 104 C GLY A 11 -4.603 5.493 15.127 1.00 0.00 C ATOM 105 O GLY A 11 -5.503 6.076 14.524 1.00 0.00 O ATOM 0 H GLY A 11 -5.704 5.178 17.379 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.847 7.113 16.303 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.106 5.564 16.655 1.00 0.00 H new ATOM 109 N ALA A 12 -4.058 4.360 14.694 1.00 0.00 N ATOM 110 CA ALA A 12 -4.498 3.724 13.459 1.00 0.00 C ATOM 111 C ALA A 12 -6.015 3.573 13.430 1.00 0.00 C ATOM 112 O ALA A 12 -6.611 3.005 14.345 1.00 0.00 O ATOM 113 CB ALA A 12 -3.828 2.368 13.296 1.00 0.00 C ATOM 0 H ALA A 12 -3.311 3.864 15.181 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.206 4.364 12.626 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.166 1.904 12.369 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.746 2.498 13.263 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.091 1.729 14.139 1.00 0.00 H new ATOM 119 N VAL A 13 -6.636 4.088 12.373 1.00 0.00 N ATOM 120 CA VAL A 13 -8.084 4.010 12.224 1.00 0.00 C ATOM 121 C VAL A 13 -8.580 2.580 12.409 1.00 0.00 C ATOM 122 O VAL A 13 -9.507 2.327 13.178 1.00 0.00 O ATOM 123 CB VAL A 13 -8.535 4.524 10.844 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.041 4.375 10.684 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.111 5.972 10.650 1.00 0.00 C ATOM 0 H VAL A 13 -6.158 4.564 11.607 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.516 4.644 12.998 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.051 3.921 10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.341 4.743 9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.314 3.324 10.776 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.548 4.951 11.458 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.438 6.319 9.670 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.565 6.591 11.424 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.026 6.045 10.717 1.00 0.00 H new ATOM 135 N LYS A 14 -7.956 1.647 11.698 1.00 0.00 N ATOM 136 CA LYS A 14 -8.331 0.241 11.784 1.00 0.00 C ATOM 137 C LYS A 14 -7.116 -0.628 12.093 1.00 0.00 C ATOM 138 O LYS A 14 -6.023 -0.386 11.583 1.00 0.00 O ATOM 139 CB LYS A 14 -8.978 -0.216 10.474 1.00 0.00 C ATOM 140 CG LYS A 14 -9.632 -1.584 10.564 1.00 0.00 C ATOM 141 CD LYS A 14 -10.041 -2.098 9.194 1.00 0.00 C ATOM 142 CE LYS A 14 -10.464 -3.558 9.250 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.838 -3.717 9.801 1.00 0.00 N ATOM 0 H LYS A 14 -7.188 1.840 11.055 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.050 0.131 12.596 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.727 0.517 10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.220 -0.236 9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.941 -2.289 11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.509 -1.527 11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.863 -1.495 8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.209 -1.985 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.423 -3.987 8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.759 -4.117 9.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.044 -4.728 9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.904 -3.227 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.527 -3.307 9.139 1.00 0.00 H new ATOM 157 N GLN A 15 -7.317 -1.641 12.930 1.00 0.00 N ATOM 158 CA GLN A 15 -6.237 -2.546 13.306 1.00 0.00 C ATOM 159 C GLN A 15 -6.636 -3.999 13.066 1.00 0.00 C ATOM 160 O GLN A 15 -7.765 -4.397 13.345 1.00 0.00 O ATOM 161 CB GLN A 15 -5.861 -2.344 14.775 1.00 0.00 C ATOM 162 CG GLN A 15 -5.306 -0.962 15.076 1.00 0.00 C ATOM 163 CD GLN A 15 -5.415 -0.596 16.543 1.00 0.00 C ATOM 164 OE1 GLN A 15 -6.421 -0.882 17.193 1.00 0.00 O ATOM 165 NE2 GLN A 15 -4.378 0.041 17.073 1.00 0.00 N ATOM 0 H GLN A 15 -8.217 -1.855 13.360 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.372 -2.318 12.683 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.742 -2.515 15.394 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.122 -3.093 15.059 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.260 -0.921 14.772 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.841 -0.222 14.480 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.564 0.258 16.497 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.395 0.313 18.056 1.00 0.00 H new ATOM 174 N GLY A 16 -5.699 -4.786 12.545 1.00 0.00 N ATOM 175 CA GLY A 16 -5.973 -6.186 12.276 1.00 0.00 C ATOM 176 C GLY A 16 -4.717 -6.970 11.948 1.00 0.00 C ATOM 177 O GLY A 16 -3.609 -6.436 12.012 1.00 0.00 O ATOM 0 H GLY A 16 -4.756 -4.480 12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.459 -6.631 13.144 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.673 -6.263 11.444 1.00 0.00 H new ATOM 181 N PHE A 17 -4.889 -8.240 11.598 1.00 0.00 N ATOM 182 CA PHE A 17 -3.760 -9.100 11.262 1.00 0.00 C ATOM 183 C PHE A 17 -3.793 -9.490 9.787 1.00 0.00 C ATOM 184 O PHE A 17 -4.833 -9.892 9.263 1.00 0.00 O ATOM 185 CB PHE A 17 -3.771 -10.356 12.135 1.00 0.00 C ATOM 186 CG PHE A 17 -3.269 -10.121 13.531 1.00 0.00 C ATOM 187 CD1 PHE A 17 -1.958 -9.733 13.754 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.109 -10.289 14.620 1.00 0.00 C ATOM 189 CE1 PHE A 17 -1.494 -9.515 15.038 1.00 0.00 C ATOM 190 CE2 PHE A 17 -3.650 -10.073 15.906 1.00 0.00 C ATOM 191 CZ PHE A 17 -2.341 -9.687 16.115 1.00 0.00 C ATOM 0 H PHE A 17 -5.799 -8.697 11.540 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.842 -8.543 11.451 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.788 -10.746 12.184 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.158 -11.123 11.662 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.291 -9.599 12.915 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.134 -10.592 14.462 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.470 -9.211 15.199 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.315 -10.206 16.747 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.980 -9.520 17.119 1.00 0.00 H new ATOM 201 N LEU A 18 -2.650 -9.369 9.123 1.00 0.00 N ATOM 202 CA LEU A 18 -2.547 -9.708 7.708 1.00 0.00 C ATOM 203 C LEU A 18 -1.465 -10.758 7.477 1.00 0.00 C ATOM 204 O LEU A 18 -0.554 -10.916 8.291 1.00 0.00 O ATOM 205 CB LEU A 18 -2.242 -8.456 6.884 1.00 0.00 C ATOM 206 CG LEU A 18 -3.439 -7.564 6.551 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.973 -6.255 5.935 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.398 -8.286 5.615 1.00 0.00 C ATOM 0 H LEU A 18 -1.781 -9.038 9.542 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.503 -10.122 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.509 -7.859 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.774 -8.765 5.950 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.969 -7.338 7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.838 -5.633 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.327 -5.731 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.420 -6.461 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.244 -7.637 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.880 -8.543 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.758 -9.196 6.094 1.00 0.00 H new ATOM 220 N TYR A 19 -1.570 -11.473 6.363 1.00 0.00 N ATOM 221 CA TYR A 19 -0.600 -12.509 6.025 1.00 0.00 C ATOM 222 C TYR A 19 0.073 -12.209 4.689 1.00 0.00 C ATOM 223 O TYR A 19 -0.595 -11.937 3.690 1.00 0.00 O ATOM 224 CB TYR A 19 -1.282 -13.877 5.969 1.00 0.00 C ATOM 225 CG TYR A 19 -2.378 -14.049 6.997 1.00 0.00 C ATOM 226 CD1 TYR A 19 -2.079 -14.162 8.349 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.713 -14.098 6.615 1.00 0.00 C ATOM 228 CE1 TYR A 19 -3.077 -14.320 9.291 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.718 -14.255 7.550 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.395 -14.366 8.887 1.00 0.00 C ATOM 231 OH TYR A 19 -5.392 -14.522 9.822 1.00 0.00 O ATOM 0 H TYR A 19 -2.317 -11.355 5.678 1.00 0.00 H new ATOM 0 HA TYR A 19 0.164 -12.523 6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.702 -14.024 4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.532 -14.654 6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.048 -14.126 8.669 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.969 -14.012 5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.827 -14.407 10.338 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.751 -14.291 7.236 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.263 -14.533 9.373 1.00 0.00 H new ATOM 241 N LEU A 20 1.401 -12.262 4.678 1.00 0.00 N ATOM 242 CA LEU A 20 2.167 -11.998 3.465 1.00 0.00 C ATOM 243 C LEU A 20 3.014 -13.207 3.082 1.00 0.00 C ATOM 244 O LEU A 20 3.955 -13.566 3.789 1.00 0.00 O ATOM 245 CB LEU A 20 3.064 -10.774 3.662 1.00 0.00 C ATOM 246 CG LEU A 20 4.262 -10.662 2.719 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.802 -10.663 1.269 1.00 0.00 C ATOM 248 CD2 LEU A 20 5.065 -9.406 3.024 1.00 0.00 C ATOM 0 H LEU A 20 1.969 -12.485 5.495 1.00 0.00 H new ATOM 0 HA LEU A 20 1.464 -11.800 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.453 -9.879 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.433 -10.780 4.687 1.00 0.00 H new ATOM 0 HG LEU A 20 4.905 -11.528 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.668 -10.583 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.271 -11.591 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.137 -9.816 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.914 -9.343 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.431 -8.529 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.426 -9.446 4.052 1.00 0.00 H new ATOM 260 N GLN A 21 2.674 -13.829 1.958 1.00 0.00 N ATOM 261 CA GLN A 21 3.404 -14.996 1.480 1.00 0.00 C ATOM 262 C GLN A 21 4.858 -14.645 1.181 1.00 0.00 C ATOM 263 O GLN A 21 5.140 -13.663 0.495 1.00 0.00 O ATOM 264 CB GLN A 21 2.737 -15.564 0.226 1.00 0.00 C ATOM 265 CG GLN A 21 3.014 -17.042 0.005 1.00 0.00 C ATOM 266 CD GLN A 21 2.349 -17.581 -1.246 1.00 0.00 C ATOM 267 OE1 GLN A 21 2.489 -17.014 -2.330 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.619 -18.681 -1.102 1.00 0.00 N ATOM 0 H GLN A 21 1.897 -13.544 1.361 1.00 0.00 H new ATOM 0 HA GLN A 21 3.385 -15.750 2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.660 -15.412 0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.082 -15.004 -0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.090 -17.199 -0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.664 -17.606 0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.530 -19.118 -0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.147 -19.089 -1.909 1.00 0.00 H new ATOM 277 N GLN A 22 5.776 -15.453 1.702 1.00 0.00 N ATOM 278 CA GLN A 22 7.201 -15.225 1.491 1.00 0.00 C ATOM 279 C GLN A 22 7.827 -16.378 0.714 1.00 0.00 C ATOM 280 O GLN A 22 8.155 -17.418 1.285 1.00 0.00 O ATOM 281 CB GLN A 22 7.915 -15.051 2.833 1.00 0.00 C ATOM 282 CG GLN A 22 7.574 -13.749 3.539 1.00 0.00 C ATOM 283 CD GLN A 22 8.490 -12.610 3.137 1.00 0.00 C ATOM 284 OE1 GLN A 22 9.433 -12.274 3.854 1.00 0.00 O ATOM 285 NE2 GLN A 22 8.216 -12.009 1.985 1.00 0.00 N ATOM 0 H GLN A 22 5.559 -16.270 2.272 1.00 0.00 H new ATOM 0 HA GLN A 22 7.315 -14.312 0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.656 -15.886 3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.992 -15.095 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.543 -13.477 3.314 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.637 -13.897 4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.424 -12.321 1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.797 -11.236 1.662 1.00 0.00 H new ATOM 294 N GLN A 23 7.991 -16.185 -0.591 1.00 0.00 N ATOM 295 CA GLN A 23 8.577 -17.210 -1.447 1.00 0.00 C ATOM 296 C GLN A 23 9.851 -16.701 -2.112 1.00 0.00 C ATOM 297 O GLN A 23 10.183 -17.102 -3.227 1.00 0.00 O ATOM 298 CB GLN A 23 7.572 -17.651 -2.513 1.00 0.00 C ATOM 299 CG GLN A 23 6.444 -18.512 -1.967 1.00 0.00 C ATOM 300 CD GLN A 23 5.797 -19.371 -3.035 1.00 0.00 C ATOM 301 OE1 GLN A 23 6.347 -19.550 -4.122 1.00 0.00 O ATOM 302 NE2 GLN A 23 4.622 -19.909 -2.730 1.00 0.00 N ATOM 0 H GLN A 23 7.727 -15.329 -1.078 1.00 0.00 H new ATOM 0 HA GLN A 23 8.832 -18.066 -0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.146 -16.767 -2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.099 -18.206 -3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.832 -19.153 -1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.688 -17.870 -1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.203 -19.734 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.139 -20.497 -3.409 1.00 0.00 H new ATOM 311 N GLN A 24 10.561 -15.815 -1.420 1.00 0.00 N ATOM 312 CA GLN A 24 11.798 -15.250 -1.945 1.00 0.00 C ATOM 313 C GLN A 24 12.765 -16.353 -2.364 1.00 0.00 C ATOM 314 O GLN A 24 13.099 -16.487 -3.541 1.00 0.00 O ATOM 315 CB GLN A 24 12.456 -14.349 -0.898 1.00 0.00 C ATOM 316 CG GLN A 24 13.268 -13.213 -1.499 1.00 0.00 C ATOM 317 CD GLN A 24 14.681 -13.630 -1.856 1.00 0.00 C ATOM 318 OE1 GLN A 24 14.897 -14.683 -2.456 1.00 0.00 O ATOM 319 NE2 GLN A 24 15.653 -12.804 -1.488 1.00 0.00 N ATOM 0 H GLN A 24 10.300 -15.473 -0.495 1.00 0.00 H new ATOM 0 HA GLN A 24 11.552 -14.654 -2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.683 -13.931 -0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.106 -14.954 -0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.765 -12.846 -2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.306 -12.385 -0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.429 -11.941 -0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 24 16.624 -13.032 -1.701 1.00 0.00 H new ATOM 328 N THR A 25 13.213 -17.142 -1.392 1.00 0.00 N ATOM 329 CA THR A 25 14.142 -18.232 -1.659 1.00 0.00 C ATOM 330 C THR A 25 13.538 -19.577 -1.272 1.00 0.00 C ATOM 331 O THR A 25 13.187 -20.382 -2.135 1.00 0.00 O ATOM 332 CB THR A 25 15.468 -18.039 -0.898 1.00 0.00 C ATOM 333 OG1 THR A 25 16.027 -16.757 -1.205 1.00 0.00 O ATOM 334 CG2 THR A 25 16.463 -19.132 -1.259 1.00 0.00 C ATOM 0 H THR A 25 12.947 -17.046 -0.412 1.00 0.00 H new ATOM 0 HA THR A 25 14.342 -18.222 -2.731 1.00 0.00 H new ATOM 0 HB THR A 25 15.260 -18.097 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 25 15.417 -16.267 -1.794 1.00 0.00 H new ATOM 0 HG21 THR A 25 17.391 -18.975 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 25 16.046 -20.104 -0.997 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.665 -19.101 -2.330 1.00 0.00 H new ATOM 342 N PHE A 26 13.419 -19.814 0.030 1.00 0.00 N ATOM 343 CA PHE A 26 12.858 -21.063 0.531 1.00 0.00 C ATOM 344 C PHE A 26 11.842 -20.797 1.638 1.00 0.00 C ATOM 345 O PHE A 26 11.701 -19.669 2.109 1.00 0.00 O ATOM 346 CB PHE A 26 13.970 -21.975 1.053 1.00 0.00 C ATOM 347 CG PHE A 26 14.546 -21.526 2.365 1.00 0.00 C ATOM 348 CD1 PHE A 26 15.194 -20.306 2.472 1.00 0.00 C ATOM 349 CD2 PHE A 26 14.440 -22.325 3.493 1.00 0.00 C ATOM 350 CE1 PHE A 26 15.725 -19.890 3.678 1.00 0.00 C ATOM 351 CE2 PHE A 26 14.969 -21.914 4.702 1.00 0.00 C ATOM 352 CZ PHE A 26 15.613 -20.696 4.795 1.00 0.00 C ATOM 0 H PHE A 26 13.703 -19.158 0.757 1.00 0.00 H new ATOM 0 HA PHE A 26 12.349 -21.560 -0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 26 13.578 -22.986 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 26 14.768 -22.022 0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 26 15.285 -19.672 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.939 -23.279 3.426 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.227 -18.936 3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.879 -22.545 5.574 1.00 0.00 H new ATOM 0 HZ PHE A 26 16.028 -20.374 5.739 1.00 0.00 H new ATOM 362 N GLY A 27 11.134 -21.845 2.048 1.00 0.00 N ATOM 363 CA GLY A 27 10.139 -21.705 3.096 1.00 0.00 C ATOM 364 C GLY A 27 8.841 -21.112 2.586 1.00 0.00 C ATOM 365 O GLY A 27 8.602 -19.911 2.720 1.00 0.00 O ATOM 0 H GLY A 27 11.232 -22.789 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.940 -22.682 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.537 -21.072 3.889 1.00 0.00 H new ATOM 369 N LYS A 28 7.998 -21.954 1.999 1.00 0.00 N ATOM 370 CA LYS A 28 6.716 -21.508 1.466 1.00 0.00 C ATOM 371 C LYS A 28 5.621 -21.616 2.523 1.00 0.00 C ATOM 372 O LYS A 28 4.809 -22.541 2.499 1.00 0.00 O ATOM 373 CB LYS A 28 6.336 -22.335 0.236 1.00 0.00 C ATOM 374 CG LYS A 28 7.219 -22.072 -0.971 1.00 0.00 C ATOM 375 CD LYS A 28 8.421 -22.999 -0.996 1.00 0.00 C ATOM 376 CE LYS A 28 8.110 -24.296 -1.728 1.00 0.00 C ATOM 377 NZ LYS A 28 9.280 -25.218 -1.745 1.00 0.00 N ATOM 0 H LYS A 28 8.180 -22.951 1.880 1.00 0.00 H new ATOM 0 HA LYS A 28 6.815 -20.462 1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.389 -23.394 0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.300 -22.122 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.638 -22.204 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.558 -21.036 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.258 -22.498 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.731 -23.222 0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.265 -24.790 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.809 -24.072 -2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.028 -26.090 -2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.079 -24.757 -2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.552 -25.452 -0.769 1.00 0.00 H new ATOM 391 N LYS A 29 5.603 -20.663 3.448 1.00 0.00 N ATOM 392 CA LYS A 29 4.606 -20.648 4.512 1.00 0.00 C ATOM 393 C LYS A 29 4.063 -19.239 4.729 1.00 0.00 C ATOM 394 O LYS A 29 4.742 -18.252 4.447 1.00 0.00 O ATOM 395 CB LYS A 29 5.211 -21.179 5.814 1.00 0.00 C ATOM 396 CG LYS A 29 4.187 -21.781 6.759 1.00 0.00 C ATOM 397 CD LYS A 29 3.938 -23.248 6.451 1.00 0.00 C ATOM 398 CE LYS A 29 3.050 -23.418 5.228 1.00 0.00 C ATOM 399 NZ LYS A 29 2.407 -24.760 5.190 1.00 0.00 N ATOM 0 H LYS A 29 6.268 -19.890 3.483 1.00 0.00 H new ATOM 0 HA LYS A 29 3.781 -21.294 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.960 -21.934 5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.728 -20.366 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.535 -21.678 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.251 -21.228 6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.890 -23.752 6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.470 -23.727 7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.280 -22.647 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.644 -23.275 4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.811 -24.835 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.141 -25.496 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.819 -24.888 6.039 1.00 0.00 H new ATOM 413 N TRP A 30 2.838 -19.154 5.234 1.00 0.00 N ATOM 414 CA TRP A 30 2.205 -17.865 5.490 1.00 0.00 C ATOM 415 C TRP A 30 2.620 -17.315 6.851 1.00 0.00 C ATOM 416 O TRP A 30 2.471 -17.986 7.872 1.00 0.00 O ATOM 417 CB TRP A 30 0.683 -17.998 5.423 1.00 0.00 C ATOM 418 CG TRP A 30 0.150 -18.025 4.023 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.277 -19.122 3.329 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.011 -16.905 3.146 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.693 -18.751 2.073 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.542 -17.396 1.936 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.238 -15.536 3.264 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -0.824 -16.565 0.856 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.042 -14.712 2.191 1.00 0.00 C ATOM 426 CH2 TRP A 30 -0.569 -15.228 1.000 1.00 0.00 C ATOM 0 H TRP A 30 2.263 -19.962 5.474 1.00 0.00 H new ATOM 0 HA TRP A 30 2.536 -17.167 4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.382 -18.911 5.936 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.229 -17.166 5.961 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.286 -20.132 3.711 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.056 -19.382 1.358 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.643 -15.128 4.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.230 -16.961 -0.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.149 -13.652 2.272 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.778 -14.558 0.179 1.00 0.00 H new ATOM 437 N ARG A 31 3.141 -16.093 6.857 1.00 0.00 N ATOM 438 CA ARG A 31 3.578 -15.454 8.092 1.00 0.00 C ATOM 439 C ARG A 31 2.692 -14.259 8.430 1.00 0.00 C ATOM 440 O ARG A 31 2.248 -13.532 7.541 1.00 0.00 O ATOM 441 CB ARG A 31 5.035 -15.005 7.971 1.00 0.00 C ATOM 442 CG ARG A 31 6.039 -16.101 8.290 1.00 0.00 C ATOM 443 CD ARG A 31 7.412 -15.781 7.719 1.00 0.00 C ATOM 444 NE ARG A 31 8.007 -14.605 8.348 1.00 0.00 N ATOM 445 CZ ARG A 31 9.102 -14.004 7.897 1.00 0.00 C ATOM 446 NH1 ARG A 31 9.718 -14.467 6.818 1.00 0.00 N ATOM 447 NH2 ARG A 31 9.582 -12.938 8.524 1.00 0.00 N ATOM 0 H ARG A 31 3.271 -15.525 6.020 1.00 0.00 H new ATOM 0 HA ARG A 31 3.496 -16.184 8.898 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.212 -14.645 6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.204 -14.163 8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.113 -16.225 9.370 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.686 -17.049 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.071 -16.638 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.328 -15.614 6.645 1.00 0.00 H new ATOM 0 HE ARG A 31 7.556 -14.224 9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.351 -15.286 6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.559 -14.004 6.473 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.110 -12.579 9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.423 -12.478 8.176 1.00 0.00 H new ATOM 461 N ARG A 32 2.439 -14.062 9.719 1.00 0.00 N ATOM 462 CA ARG A 32 1.605 -12.956 10.174 1.00 0.00 C ATOM 463 C ARG A 32 2.458 -11.742 10.531 1.00 0.00 C ATOM 464 O ARG A 32 3.627 -11.877 10.894 1.00 0.00 O ATOM 465 CB ARG A 32 0.773 -13.382 11.385 1.00 0.00 C ATOM 466 CG ARG A 32 -0.540 -14.054 11.017 1.00 0.00 C ATOM 467 CD ARG A 32 -1.279 -14.547 12.251 1.00 0.00 C ATOM 468 NE ARG A 32 -2.071 -15.742 11.974 1.00 0.00 N ATOM 469 CZ ARG A 32 -2.702 -16.440 12.912 1.00 0.00 C ATOM 470 NH1 ARG A 32 -2.635 -16.062 14.181 1.00 0.00 N ATOM 471 NH2 ARG A 32 -3.403 -17.517 12.581 1.00 0.00 N ATOM 0 H ARG A 32 2.800 -14.654 10.467 1.00 0.00 H new ATOM 0 HA ARG A 32 0.935 -12.680 9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.362 -14.065 11.997 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.563 -12.505 11.998 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.169 -13.351 10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.346 -14.893 10.349 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.560 -14.764 13.041 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.932 -13.757 12.622 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.144 -16.058 11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.098 -15.234 14.439 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.120 -16.599 14.899 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.458 -17.810 11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.887 -18.052 13.302 1.00 0.00 H new ATOM 485 N PHE A 33 1.866 -10.557 10.424 1.00 0.00 N ATOM 486 CA PHE A 33 2.572 -9.320 10.733 1.00 0.00 C ATOM 487 C PHE A 33 1.592 -8.218 11.126 1.00 0.00 C ATOM 488 O PHE A 33 0.827 -7.728 10.297 1.00 0.00 O ATOM 489 CB PHE A 33 3.407 -8.870 9.533 1.00 0.00 C ATOM 490 CG PHE A 33 4.431 -9.881 9.103 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.451 -10.262 9.960 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.375 -10.451 7.841 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.395 -11.192 9.568 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.315 -11.382 7.443 1.00 0.00 C ATOM 495 CZ PHE A 33 6.328 -11.752 8.307 1.00 0.00 C ATOM 0 H PHE A 33 0.899 -10.428 10.126 1.00 0.00 H new ATOM 0 HA PHE A 33 3.235 -9.511 11.577 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.742 -8.660 8.696 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.912 -7.936 9.781 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.509 -9.827 10.947 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.587 -10.164 7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.184 -11.481 10.247 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.258 -11.820 6.458 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.066 -12.477 7.997 1.00 0.00 H new ATOM 505 N GLY A 34 1.621 -7.834 12.399 1.00 0.00 N ATOM 506 CA GLY A 34 0.731 -6.794 12.881 1.00 0.00 C ATOM 507 C GLY A 34 0.465 -5.728 11.836 1.00 0.00 C ATOM 508 O GLY A 34 1.373 -4.999 11.440 1.00 0.00 O ATOM 0 H GLY A 34 2.245 -8.225 13.105 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.214 -7.242 13.187 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.165 -6.330 13.767 1.00 0.00 H new ATOM 512 N ALA A 35 -0.783 -5.639 11.388 1.00 0.00 N ATOM 513 CA ALA A 35 -1.165 -4.655 10.383 1.00 0.00 C ATOM 514 C ALA A 35 -1.952 -3.508 11.009 1.00 0.00 C ATOM 515 O ALA A 35 -2.892 -3.732 11.772 1.00 0.00 O ATOM 516 CB ALA A 35 -1.978 -5.315 9.280 1.00 0.00 C ATOM 0 H ALA A 35 -1.546 -6.236 11.705 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.254 -4.242 9.950 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.256 -4.568 8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.382 -6.095 8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.879 -5.756 9.706 1.00 0.00 H new ATOM 522 N SER A 36 -1.561 -2.281 10.682 1.00 0.00 N ATOM 523 CA SER A 36 -2.228 -1.099 11.217 1.00 0.00 C ATOM 524 C SER A 36 -2.542 -0.103 10.105 1.00 0.00 C ATOM 525 O SER A 36 -1.651 0.330 9.373 1.00 0.00 O ATOM 526 CB SER A 36 -1.355 -0.433 12.282 1.00 0.00 C ATOM 527 OG SER A 36 -1.313 -1.210 13.466 1.00 0.00 O ATOM 0 H SER A 36 -0.787 -2.079 10.050 1.00 0.00 H new ATOM 0 HA SER A 36 -3.166 -1.416 11.673 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.345 -0.298 11.896 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.745 0.559 12.508 1.00 0.00 H new ATOM 0 HG SER A 36 -0.747 -0.764 14.130 1.00 0.00 H new ATOM 533 N LEU A 37 -3.815 0.257 9.984 1.00 0.00 N ATOM 534 CA LEU A 37 -4.249 1.202 8.961 1.00 0.00 C ATOM 535 C LEU A 37 -4.262 2.627 9.506 1.00 0.00 C ATOM 536 O LEU A 37 -5.017 2.943 10.426 1.00 0.00 O ATOM 537 CB LEU A 37 -5.641 0.827 8.449 1.00 0.00 C ATOM 538 CG LEU A 37 -6.082 1.499 7.148 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.153 1.114 6.007 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.520 1.128 6.817 1.00 0.00 C ATOM 0 H LEU A 37 -4.565 -0.091 10.582 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.540 1.155 8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.675 -0.253 8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.368 1.069 9.224 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.029 2.579 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.482 1.601 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.137 1.431 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.173 0.033 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.817 1.615 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.599 0.047 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.175 1.456 7.624 1.00 0.00 H new ATOM 552 N TYR A 38 -3.424 3.482 8.933 1.00 0.00 N ATOM 553 CA TYR A 38 -3.338 4.873 9.361 1.00 0.00 C ATOM 554 C TYR A 38 -3.795 5.814 8.251 1.00 0.00 C ATOM 555 O TYR A 38 -3.670 5.504 7.067 1.00 0.00 O ATOM 556 CB TYR A 38 -1.906 5.214 9.777 1.00 0.00 C ATOM 557 CG TYR A 38 -1.413 4.415 10.962 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.804 4.741 12.255 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.556 3.335 10.790 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.356 4.015 13.341 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.104 2.602 11.870 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.507 2.946 13.144 1.00 0.00 C ATOM 563 OH TYR A 38 -0.058 2.220 14.223 1.00 0.00 O ATOM 0 H TYR A 38 -2.793 3.236 8.170 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.999 5.004 10.218 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.240 5.042 8.931 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.849 6.276 10.017 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.470 5.577 12.413 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.238 3.064 9.794 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.669 4.283 14.339 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.561 1.765 11.718 1.00 0.00 H new ATOM 0 HH TYR A 38 0.530 1.501 13.911 1.00 0.00 H new ATOM 573 N GLY A 39 -4.326 6.968 8.643 1.00 0.00 N ATOM 574 CA GLY A 39 -4.794 7.939 7.671 1.00 0.00 C ATOM 575 C GLY A 39 -6.022 8.690 8.145 1.00 0.00 C ATOM 576 O GLY A 39 -6.219 8.877 9.346 1.00 0.00 O ATOM 0 H GLY A 39 -4.441 7.248 9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.996 8.651 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.023 7.430 6.735 1.00 0.00 H new ATOM 580 N GLY A 40 -6.851 9.124 7.201 1.00 0.00 N ATOM 581 CA GLY A 40 -8.055 9.856 7.549 1.00 0.00 C ATOM 582 C GLY A 40 -7.856 10.762 8.747 1.00 0.00 C ATOM 583 O GLY A 40 -8.494 10.580 9.784 1.00 0.00 O ATOM 0 H GLY A 40 -6.710 8.982 6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.373 10.453 6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.858 9.150 7.761 1.00 0.00 H new ATOM 587 N SER A 41 -6.967 11.740 8.607 1.00 0.00 N ATOM 588 CA SER A 41 -6.682 12.675 9.689 1.00 0.00 C ATOM 589 C SER A 41 -6.096 13.974 9.144 1.00 0.00 C ATOM 590 O SER A 41 -5.712 14.053 7.977 1.00 0.00 O ATOM 591 CB SER A 41 -5.713 12.046 10.692 1.00 0.00 C ATOM 592 OG SER A 41 -5.176 13.025 11.565 1.00 0.00 O ATOM 0 H SER A 41 -6.432 11.906 7.755 1.00 0.00 H new ATOM 0 HA SER A 41 -7.620 12.904 10.195 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.230 11.282 11.272 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.904 11.548 10.158 1.00 0.00 H new ATOM 0 HG SER A 41 -4.561 12.598 12.197 1.00 0.00 H new ATOM 598 N ASP A 42 -6.031 14.990 9.998 1.00 0.00 N ATOM 599 CA ASP A 42 -5.491 16.286 9.604 1.00 0.00 C ATOM 600 C ASP A 42 -3.990 16.353 9.870 1.00 0.00 C ATOM 601 O ASP A 42 -3.484 15.713 10.792 1.00 0.00 O ATOM 602 CB ASP A 42 -6.206 17.410 10.356 1.00 0.00 C ATOM 603 CG ASP A 42 -7.689 17.144 10.522 1.00 0.00 C ATOM 604 OD1 ASP A 42 -8.049 16.297 11.366 1.00 0.00 O ATOM 605 OD2 ASP A 42 -8.490 17.782 9.807 1.00 0.00 O ATOM 0 H ASP A 42 -6.345 14.941 10.967 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.658 16.412 8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.750 17.533 11.338 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.066 18.348 9.819 1.00 0.00 H new ATOM 610 N CYS A 43 -3.285 17.131 9.056 1.00 0.00 N ATOM 611 CA CYS A 43 -1.841 17.280 9.202 1.00 0.00 C ATOM 612 C CYS A 43 -1.151 15.920 9.199 1.00 0.00 C ATOM 613 O CYS A 43 -0.231 15.678 9.980 1.00 0.00 O ATOM 614 CB CYS A 43 -1.513 18.030 10.493 1.00 0.00 C ATOM 615 SG CYS A 43 -1.586 19.830 10.341 1.00 0.00 S ATOM 0 H CYS A 43 -3.689 17.668 8.289 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.472 17.855 8.353 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.208 17.713 11.271 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.514 17.744 10.823 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.295 20.374 11.485 1.00 0.00 H new ATOM 621 N ALA A 44 -1.603 15.035 8.317 1.00 0.00 N ATOM 622 CA ALA A 44 -1.029 13.699 8.213 1.00 0.00 C ATOM 623 C ALA A 44 -1.580 12.957 7.000 1.00 0.00 C ATOM 624 O ALA A 44 -2.579 13.370 6.408 1.00 0.00 O ATOM 625 CB ALA A 44 -1.298 12.908 9.484 1.00 0.00 C ATOM 0 H ALA A 44 -2.365 15.219 7.664 1.00 0.00 H new ATOM 0 HA ALA A 44 0.048 13.803 8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.864 11.913 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.850 13.422 10.334 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.374 12.822 9.638 1.00 0.00 H new ATOM 631 N LEU A 45 -0.925 11.862 6.634 1.00 0.00 N ATOM 632 CA LEU A 45 -1.349 11.062 5.490 1.00 0.00 C ATOM 633 C LEU A 45 -1.572 9.608 5.894 1.00 0.00 C ATOM 634 O LEU A 45 -1.216 9.199 6.999 1.00 0.00 O ATOM 635 CB LEU A 45 -0.306 11.139 4.374 1.00 0.00 C ATOM 636 CG LEU A 45 -0.142 12.502 3.701 1.00 0.00 C ATOM 637 CD1 LEU A 45 0.738 13.411 4.544 1.00 0.00 C ATOM 638 CD2 LEU A 45 0.439 12.341 2.303 1.00 0.00 C ATOM 0 H LEU A 45 -0.097 11.507 7.113 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.293 11.467 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.659 10.841 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.567 10.408 3.609 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.126 12.963 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.843 14.376 4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.281 13.553 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.721 12.956 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.549 13.321 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.415 11.859 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.230 11.727 1.700 1.00 0.00 H new ATOM 650 N ALA A 46 -2.162 8.832 4.991 1.00 0.00 N ATOM 651 CA ALA A 46 -2.428 7.423 5.252 1.00 0.00 C ATOM 652 C ALA A 46 -1.239 6.556 4.851 1.00 0.00 C ATOM 653 O ALA A 46 -0.495 6.894 3.930 1.00 0.00 O ATOM 654 CB ALA A 46 -3.682 6.977 4.513 1.00 0.00 C ATOM 0 H ALA A 46 -2.465 9.155 4.072 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.588 7.301 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.869 5.923 4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.533 7.568 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.543 7.120 3.441 1.00 0.00 H new ATOM 660 N ARG A 47 -1.066 5.438 5.548 1.00 0.00 N ATOM 661 CA ARG A 47 0.034 4.524 5.266 1.00 0.00 C ATOM 662 C ARG A 47 -0.160 3.198 5.994 1.00 0.00 C ATOM 663 O ARG A 47 -0.730 3.154 7.086 1.00 0.00 O ATOM 664 CB ARG A 47 1.366 5.154 5.677 1.00 0.00 C ATOM 665 CG ARG A 47 1.424 5.556 7.141 1.00 0.00 C ATOM 666 CD ARG A 47 2.725 6.270 7.472 1.00 0.00 C ATOM 667 NE ARG A 47 2.769 7.617 6.909 1.00 0.00 N ATOM 668 CZ ARG A 47 2.045 8.630 7.370 1.00 0.00 C ATOM 669 NH1 ARG A 47 1.225 8.450 8.397 1.00 0.00 N ATOM 670 NH2 ARG A 47 2.140 9.827 6.805 1.00 0.00 N ATOM 0 H ARG A 47 -1.674 5.143 6.312 1.00 0.00 H new ATOM 0 HA ARG A 47 0.047 4.331 4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.171 4.448 5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.548 6.034 5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.581 6.207 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.325 4.669 7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.843 6.325 8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.565 5.690 7.089 1.00 0.00 H new ATOM 0 HE ARG A 47 3.390 7.789 6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.150 7.532 8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.670 9.230 8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.770 9.970 6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.583 10.604 7.160 1.00 0.00 H new ATOM 684 N LEU A 48 0.316 2.118 5.384 1.00 0.00 N ATOM 685 CA LEU A 48 0.195 0.790 5.974 1.00 0.00 C ATOM 686 C LEU A 48 1.500 0.370 6.643 1.00 0.00 C ATOM 687 O LEU A 48 2.523 0.207 5.980 1.00 0.00 O ATOM 688 CB LEU A 48 -0.195 -0.231 4.904 1.00 0.00 C ATOM 689 CG LEU A 48 -1.026 -1.422 5.384 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.381 -0.957 5.894 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.197 -2.439 4.264 1.00 0.00 C ATOM 0 H LEU A 48 0.789 2.136 4.481 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.585 0.827 6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.754 0.286 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.717 -0.612 4.444 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.496 -1.902 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.958 -1.818 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.239 -0.267 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.918 -0.452 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.791 -3.280 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.705 -1.970 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.218 -2.796 3.945 1.00 0.00 H new ATOM 703 N GLU A 49 1.454 0.194 7.960 1.00 0.00 N ATOM 704 CA GLU A 49 2.633 -0.209 8.718 1.00 0.00 C ATOM 705 C GLU A 49 2.601 -1.704 9.019 1.00 0.00 C ATOM 706 O GLU A 49 1.546 -2.268 9.312 1.00 0.00 O ATOM 707 CB GLU A 49 2.723 0.584 10.023 1.00 0.00 C ATOM 708 CG GLU A 49 2.979 2.067 9.818 1.00 0.00 C ATOM 709 CD GLU A 49 3.701 2.702 10.991 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.197 2.591 12.128 1.00 0.00 O ATOM 711 OE2 GLU A 49 4.769 3.311 10.772 1.00 0.00 O ATOM 0 H GLU A 49 0.614 0.324 8.524 1.00 0.00 H new ATOM 0 HA GLU A 49 3.514 0.003 8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.794 0.458 10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.522 0.168 10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.570 2.208 8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.029 2.578 9.661 1.00 0.00 H new ATOM 718 N LEU A 50 3.765 -2.342 8.944 1.00 0.00 N ATOM 719 CA LEU A 50 3.872 -3.772 9.208 1.00 0.00 C ATOM 720 C LEU A 50 4.855 -4.045 10.342 1.00 0.00 C ATOM 721 O LEU A 50 5.848 -3.335 10.499 1.00 0.00 O ATOM 722 CB LEU A 50 4.315 -4.512 7.945 1.00 0.00 C ATOM 723 CG LEU A 50 3.251 -4.687 6.861 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.852 -5.332 5.622 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.087 -5.516 7.385 1.00 0.00 C ATOM 0 H LEU A 50 4.647 -1.891 8.702 1.00 0.00 H new ATOM 0 HA LEU A 50 2.889 -4.135 9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.161 -3.977 7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.676 -5.499 8.234 1.00 0.00 H new ATOM 0 HG LEU A 50 2.875 -3.702 6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.080 -5.448 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.651 -4.700 5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.257 -6.310 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.339 -5.630 6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.448 -6.499 7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.639 -5.013 8.242 1.00 0.00 H new ATOM 737 N GLN A 51 4.571 -5.078 11.129 1.00 0.00 N ATOM 738 CA GLN A 51 5.432 -5.445 12.247 1.00 0.00 C ATOM 739 C GLN A 51 6.033 -6.831 12.040 1.00 0.00 C ATOM 740 O GLN A 51 5.311 -7.808 11.844 1.00 0.00 O ATOM 741 CB GLN A 51 4.644 -5.409 13.558 1.00 0.00 C ATOM 742 CG GLN A 51 4.584 -4.029 14.194 1.00 0.00 C ATOM 743 CD GLN A 51 3.331 -3.822 15.022 1.00 0.00 C ATOM 744 OE1 GLN A 51 3.373 -3.865 16.252 1.00 0.00 O ATOM 745 NE2 GLN A 51 2.208 -3.597 14.351 1.00 0.00 N ATOM 0 H GLN A 51 3.752 -5.675 11.013 1.00 0.00 H new ATOM 0 HA GLN A 51 6.245 -4.721 12.299 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.629 -5.759 13.372 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.097 -6.106 14.264 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.460 -3.886 14.826 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.628 -3.271 13.412 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.220 -3.570 13.331 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.333 -3.451 14.855 1.00 0.00 H new ATOM 754 N GLU A 52 7.359 -6.908 12.085 1.00 0.00 N ATOM 755 CA GLU A 52 8.057 -8.175 11.900 1.00 0.00 C ATOM 756 C GLU A 52 8.639 -8.673 13.220 1.00 0.00 C ATOM 757 O GLU A 52 9.739 -8.284 13.612 1.00 0.00 O ATOM 758 CB GLU A 52 9.172 -8.023 10.863 1.00 0.00 C ATOM 759 CG GLU A 52 9.751 -9.347 10.393 1.00 0.00 C ATOM 760 CD GLU A 52 11.104 -9.188 9.728 1.00 0.00 C ATOM 761 OE1 GLU A 52 11.199 -8.408 8.757 1.00 0.00 O ATOM 762 OE2 GLU A 52 12.067 -9.845 10.176 1.00 0.00 O ATOM 0 H GLU A 52 7.971 -6.109 12.248 1.00 0.00 H new ATOM 0 HA GLU A 52 7.335 -8.909 11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.784 -7.480 10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.972 -7.417 11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.846 -10.021 11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.059 -9.814 9.693 1.00 0.00 H new ATOM 769 N GLY A 53 7.892 -9.536 13.902 1.00 0.00 N ATOM 770 CA GLY A 53 8.349 -10.073 15.170 1.00 0.00 C ATOM 771 C GLY A 53 7.253 -10.804 15.919 1.00 0.00 C ATOM 772 O GLY A 53 6.660 -10.280 16.862 1.00 0.00 O ATOM 0 H GLY A 53 6.978 -9.873 13.599 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.181 -10.755 14.994 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.728 -9.260 15.790 1.00 0.00 H new ATOM 776 N PRO A 54 6.969 -12.045 15.497 1.00 0.00 N ATOM 777 CA PRO A 54 5.934 -12.875 16.120 1.00 0.00 C ATOM 778 C PRO A 54 6.325 -13.336 17.520 1.00 0.00 C ATOM 779 O PRO A 54 7.301 -14.066 17.692 1.00 0.00 O ATOM 780 CB PRO A 54 5.823 -14.074 15.174 1.00 0.00 C ATOM 781 CG PRO A 54 7.152 -14.151 14.504 1.00 0.00 C ATOM 782 CD PRO A 54 7.636 -12.733 14.379 1.00 0.00 C ATOM 0 HA PRO A 54 4.999 -12.330 16.251 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.601 -14.991 15.721 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.021 -13.934 14.449 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.849 -14.751 15.088 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.069 -14.623 13.525 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.721 -12.670 14.459 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.361 -12.298 13.418 1.00 0.00 H new ATOM 790 N GLU A 55 5.558 -12.906 18.516 1.00 0.00 N ATOM 791 CA GLU A 55 5.826 -13.276 19.901 1.00 0.00 C ATOM 792 C GLU A 55 7.233 -12.852 20.314 1.00 0.00 C ATOM 793 O GLU A 55 7.975 -13.626 20.919 1.00 0.00 O ATOM 794 CB GLU A 55 5.660 -14.785 20.091 1.00 0.00 C ATOM 795 CG GLU A 55 5.267 -15.180 21.504 1.00 0.00 C ATOM 796 CD GLU A 55 5.100 -16.679 21.665 1.00 0.00 C ATOM 797 OE1 GLU A 55 6.021 -17.423 21.269 1.00 0.00 O ATOM 798 OE2 GLU A 55 4.050 -17.107 22.188 1.00 0.00 O ATOM 0 H GLU A 55 4.746 -12.301 18.390 1.00 0.00 H new ATOM 0 HA GLU A 55 5.107 -12.757 20.535 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.903 -15.149 19.397 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.595 -15.281 19.831 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.027 -14.826 22.201 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.334 -14.683 21.770 1.00 0.00 H new ATOM 805 N LYS A 56 7.593 -11.617 19.983 1.00 0.00 N ATOM 806 CA LYS A 56 8.910 -11.088 20.319 1.00 0.00 C ATOM 807 C LYS A 56 9.027 -10.831 21.818 1.00 0.00 C ATOM 808 O LYS A 56 8.068 -10.434 22.480 1.00 0.00 O ATOM 809 CB LYS A 56 9.174 -9.793 19.547 1.00 0.00 C ATOM 810 CG LYS A 56 8.124 -8.720 19.781 1.00 0.00 C ATOM 811 CD LYS A 56 8.104 -7.704 18.652 1.00 0.00 C ATOM 812 CE LYS A 56 6.903 -6.776 18.758 1.00 0.00 C ATOM 813 NZ LYS A 56 7.182 -5.438 18.167 1.00 0.00 N ATOM 0 H LYS A 56 6.991 -10.963 19.482 1.00 0.00 H new ATOM 0 HA LYS A 56 9.655 -11.831 20.036 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.151 -9.402 19.833 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.220 -10.018 18.481 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.142 -9.184 19.871 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.325 -8.213 20.725 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.022 -7.117 18.673 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.080 -8.223 17.694 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.050 -7.226 18.250 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.625 -6.660 19.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.345 -4.830 18.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.990 -5.004 18.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.405 -5.544 17.157 1.00 0.00 H new ATOM 827 N PRO A 57 10.229 -11.062 22.366 1.00 0.00 N ATOM 828 CA PRO A 57 10.500 -10.860 23.793 1.00 0.00 C ATOM 829 C PRO A 57 10.497 -9.386 24.181 1.00 0.00 C ATOM 830 O PRO A 57 10.369 -9.044 25.357 1.00 0.00 O ATOM 831 CB PRO A 57 11.896 -11.459 23.977 1.00 0.00 C ATOM 832 CG PRO A 57 12.530 -11.363 22.632 1.00 0.00 C ATOM 833 CD PRO A 57 11.416 -11.537 21.636 1.00 0.00 C ATOM 0 HA PRO A 57 9.738 -11.320 24.422 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.468 -10.909 24.724 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.841 -12.494 24.316 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.024 -10.400 22.501 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.292 -12.132 22.504 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.591 -10.955 20.731 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.310 -12.578 21.330 1.00 0.00 H new ATOM 841 N ARG A 58 10.638 -8.516 23.186 1.00 0.00 N ATOM 842 CA ARG A 58 10.652 -7.078 23.424 1.00 0.00 C ATOM 843 C ARG A 58 10.018 -6.328 22.256 1.00 0.00 C ATOM 844 O ARG A 58 9.996 -6.819 21.128 1.00 0.00 O ATOM 845 CB ARG A 58 12.086 -6.589 23.639 1.00 0.00 C ATOM 846 CG ARG A 58 12.173 -5.258 24.368 1.00 0.00 C ATOM 847 CD ARG A 58 13.604 -4.749 24.428 1.00 0.00 C ATOM 848 NE ARG A 58 14.407 -5.488 25.399 1.00 0.00 N ATOM 849 CZ ARG A 58 15.734 -5.438 25.445 1.00 0.00 C ATOM 850 NH1 ARG A 58 16.403 -4.689 24.580 1.00 0.00 N ATOM 851 NH2 ARG A 58 16.394 -6.139 26.358 1.00 0.00 N ATOM 0 H ARG A 58 10.744 -8.782 22.207 1.00 0.00 H new ATOM 0 HA ARG A 58 10.068 -6.878 24.323 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.636 -7.340 24.205 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.578 -6.496 22.671 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.545 -4.524 23.863 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.783 -5.370 25.380 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.060 -4.833 23.442 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.602 -3.691 24.690 1.00 0.00 H new ATOM 0 HE ARG A 58 13.923 -6.074 26.079 1.00 0.00 H new ATOM 0 HH11 ARG A 58 15.899 -4.149 23.877 1.00 0.00 H new ATOM 0 HH12 ARG A 58 17.422 -4.653 24.618 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.883 -6.717 27.025 1.00 0.00 H new ATOM 0 HH22 ARG A 58 17.413 -6.100 26.393 1.00 0.00 H new ATOM 865 N ARG A 59 9.502 -5.135 22.537 1.00 0.00 N ATOM 866 CA ARG A 59 8.865 -4.318 21.511 1.00 0.00 C ATOM 867 C ARG A 59 9.895 -3.456 20.786 1.00 0.00 C ATOM 868 O ARG A 59 9.662 -2.273 20.533 1.00 0.00 O ATOM 869 CB ARG A 59 7.788 -3.429 22.133 1.00 0.00 C ATOM 870 CG ARG A 59 6.502 -4.170 22.464 1.00 0.00 C ATOM 871 CD ARG A 59 5.308 -3.228 22.493 1.00 0.00 C ATOM 872 NE ARG A 59 5.165 -2.566 23.787 1.00 0.00 N ATOM 873 CZ ARG A 59 4.115 -1.824 24.120 1.00 0.00 C ATOM 874 NH1 ARG A 59 3.122 -1.650 23.259 1.00 0.00 N ATOM 875 NH2 ARG A 59 4.057 -1.254 25.317 1.00 0.00 N ATOM 0 H ARG A 59 9.513 -4.714 23.466 1.00 0.00 H new ATOM 0 HA ARG A 59 8.400 -4.986 20.786 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.182 -2.978 23.044 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.561 -2.613 21.446 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.331 -4.953 21.725 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.603 -4.662 23.432 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.420 -2.476 21.712 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.399 -3.787 22.269 1.00 0.00 H new ATOM 0 HE ARG A 59 5.912 -2.680 24.472 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.163 -2.087 22.338 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.317 -1.080 23.518 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.819 -1.386 25.982 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.250 -0.684 25.572 1.00 0.00 H new ATOM 889 N CYS A 60 11.033 -4.056 20.455 1.00 0.00 N ATOM 890 CA CYS A 60 12.099 -3.343 19.761 1.00 0.00 C ATOM 891 C CYS A 60 12.078 -3.653 18.268 1.00 0.00 C ATOM 892 O CYS A 60 12.528 -4.715 17.839 1.00 0.00 O ATOM 893 CB CYS A 60 13.460 -3.715 20.352 1.00 0.00 C ATOM 894 SG CYS A 60 14.845 -2.777 19.666 1.00 0.00 S ATOM 0 H CYS A 60 11.241 -5.034 20.656 1.00 0.00 H new ATOM 0 HA CYS A 60 11.933 -2.274 19.894 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.430 -3.561 21.431 1.00 0.00 H new ATOM 0 HB3 CYS A 60 13.638 -4.778 20.187 1.00 0.00 H new ATOM 0 HG CYS A 60 15.951 -3.162 20.230 1.00 0.00 H new ATOM 900 N GLU A 61 11.551 -2.720 17.482 1.00 0.00 N ATOM 901 CA GLU A 61 11.469 -2.896 16.036 1.00 0.00 C ATOM 902 C GLU A 61 12.704 -2.325 15.348 1.00 0.00 C ATOM 903 O GLU A 61 13.066 -1.167 15.558 1.00 0.00 O ATOM 904 CB GLU A 61 10.208 -2.223 15.489 1.00 0.00 C ATOM 905 CG GLU A 61 10.295 -0.707 15.454 1.00 0.00 C ATOM 906 CD GLU A 61 8.932 -0.043 15.511 1.00 0.00 C ATOM 907 OE1 GLU A 61 8.162 -0.185 14.538 1.00 0.00 O ATOM 908 OE2 GLU A 61 8.636 0.617 16.529 1.00 0.00 O ATOM 0 H GLU A 61 11.174 -1.835 17.821 1.00 0.00 H new ATOM 0 HA GLU A 61 11.421 -3.965 15.827 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.018 -2.591 14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.355 -2.516 16.101 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.899 -0.362 16.293 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.808 -0.397 14.544 1.00 0.00 H new ATOM 915 N ALA A 62 13.348 -3.145 14.524 1.00 0.00 N ATOM 916 CA ALA A 62 14.542 -2.721 13.803 1.00 0.00 C ATOM 917 C ALA A 62 14.240 -2.494 12.326 1.00 0.00 C ATOM 918 O ALA A 62 14.405 -1.388 11.811 1.00 0.00 O ATOM 919 CB ALA A 62 15.650 -3.752 13.964 1.00 0.00 C ATOM 0 H ALA A 62 13.063 -4.107 14.339 1.00 0.00 H new ATOM 0 HA ALA A 62 14.876 -1.775 14.229 1.00 0.00 H new ATOM 0 HB1 ALA A 62 16.535 -3.422 13.420 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.893 -3.863 15.021 1.00 0.00 H new ATOM 0 HB3 ALA A 62 15.316 -4.710 13.566 1.00 0.00 H new ATOM 925 N ALA A 63 13.796 -3.548 11.648 1.00 0.00 N ATOM 926 CA ALA A 63 13.470 -3.463 10.230 1.00 0.00 C ATOM 927 C ALA A 63 11.984 -3.185 10.025 1.00 0.00 C ATOM 928 O ALA A 63 11.183 -4.110 9.889 1.00 0.00 O ATOM 929 CB ALA A 63 13.872 -4.745 9.518 1.00 0.00 C ATOM 0 H ALA A 63 13.654 -4.471 12.059 1.00 0.00 H new ATOM 0 HA ALA A 63 14.031 -2.632 9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.623 -4.667 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.945 -4.901 9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.337 -5.588 9.956 1.00 0.00 H new ATOM 935 N ARG A 64 11.624 -1.906 10.003 1.00 0.00 N ATOM 936 CA ARG A 64 10.234 -1.508 9.816 1.00 0.00 C ATOM 937 C ARG A 64 9.889 -1.418 8.333 1.00 0.00 C ATOM 938 O ARG A 64 10.621 -0.814 7.549 1.00 0.00 O ATOM 939 CB ARG A 64 9.972 -0.161 10.494 1.00 0.00 C ATOM 940 CG ARG A 64 8.498 0.202 10.578 1.00 0.00 C ATOM 941 CD ARG A 64 8.287 1.500 11.340 1.00 0.00 C ATOM 942 NE ARG A 64 8.473 2.672 10.488 1.00 0.00 N ATOM 943 CZ ARG A 64 8.236 3.916 10.888 1.00 0.00 C ATOM 944 NH1 ARG A 64 7.807 4.150 12.121 1.00 0.00 N ATOM 945 NH2 ARG A 64 8.429 4.930 10.054 1.00 0.00 N ATOM 0 H ARG A 64 12.275 -1.128 10.112 1.00 0.00 H new ATOM 0 HA ARG A 64 9.600 -2.268 10.273 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.390 -0.183 11.500 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.499 0.620 9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.088 0.298 9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.951 -0.603 11.070 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.282 1.514 11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.984 1.546 12.177 1.00 0.00 H new ATOM 0 HE ARG A 64 8.803 2.527 9.534 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.658 3.373 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.626 5.107 12.425 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.760 4.754 9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.247 5.885 10.362 1.00 0.00 H new ATOM 959 N LYS A 65 8.768 -2.024 7.954 1.00 0.00 N ATOM 960 CA LYS A 65 8.324 -2.013 6.565 1.00 0.00 C ATOM 961 C LYS A 65 6.954 -1.355 6.437 1.00 0.00 C ATOM 962 O LYS A 65 5.973 -1.823 7.016 1.00 0.00 O ATOM 963 CB LYS A 65 8.271 -3.439 6.014 1.00 0.00 C ATOM 964 CG LYS A 65 9.636 -4.013 5.676 1.00 0.00 C ATOM 965 CD LYS A 65 9.542 -5.078 4.597 1.00 0.00 C ATOM 966 CE LYS A 65 9.103 -6.417 5.171 1.00 0.00 C ATOM 967 NZ LYS A 65 10.134 -6.997 6.075 1.00 0.00 N ATOM 0 H LYS A 65 8.151 -2.529 8.590 1.00 0.00 H new ATOM 0 HA LYS A 65 9.041 -1.433 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.786 -4.084 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.650 -3.450 5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.296 -3.212 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.084 -4.441 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.835 -4.760 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.511 -5.190 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.170 -6.289 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.901 -7.113 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.993 -8.025 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.081 -6.804 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.049 -6.568 7.019 1.00 0.00 H new ATOM 981 N VAL A 66 6.893 -0.269 5.674 1.00 0.00 N ATOM 982 CA VAL A 66 5.642 0.452 5.468 1.00 0.00 C ATOM 983 C VAL A 66 5.309 0.561 3.984 1.00 0.00 C ATOM 984 O VAL A 66 6.160 0.924 3.171 1.00 0.00 O ATOM 985 CB VAL A 66 5.703 1.866 6.074 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.747 2.710 5.359 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.335 2.530 6.014 1.00 0.00 C ATOM 0 H VAL A 66 7.695 0.131 5.188 1.00 0.00 H new ATOM 0 HA VAL A 66 4.861 -0.118 5.972 1.00 0.00 H new ATOM 0 HB VAL A 66 5.995 1.782 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.775 3.706 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.726 2.240 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.489 2.790 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.396 3.529 6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.011 2.603 4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.616 1.934 6.577 1.00 0.00 H new ATOM 997 N ILE A 67 4.066 0.245 3.638 1.00 0.00 N ATOM 998 CA ILE A 67 3.620 0.309 2.251 1.00 0.00 C ATOM 999 C ILE A 67 2.541 1.372 2.070 1.00 0.00 C ATOM 1000 O ILE A 67 1.357 1.113 2.285 1.00 0.00 O ATOM 1001 CB ILE A 67 3.072 -1.048 1.773 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.165 -2.117 1.841 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.527 -0.930 0.357 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.627 -3.526 1.953 1.00 0.00 C ATOM 0 H ILE A 67 3.350 -0.058 4.298 1.00 0.00 H new ATOM 0 HA ILE A 67 4.491 0.572 1.651 1.00 0.00 H new ATOM 0 HB ILE A 67 2.257 -1.346 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.788 -2.045 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.808 -1.913 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.143 -1.897 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.722 -0.195 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.325 -0.613 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.458 -4.230 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.027 -3.616 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.007 -3.749 1.084 1.00 0.00 H new ATOM 1016 N ARG A 68 2.959 2.569 1.670 1.00 0.00 N ATOM 1017 CA ARG A 68 2.029 3.672 1.459 1.00 0.00 C ATOM 1018 C ARG A 68 0.915 3.266 0.499 1.00 0.00 C ATOM 1019 O ARG A 68 1.169 2.673 -0.550 1.00 0.00 O ATOM 1020 CB ARG A 68 2.770 4.893 0.910 1.00 0.00 C ATOM 1021 CG ARG A 68 3.810 5.454 1.865 1.00 0.00 C ATOM 1022 CD ARG A 68 4.218 6.867 1.478 1.00 0.00 C ATOM 1023 NE ARG A 68 5.271 6.874 0.466 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.009 7.941 0.181 1.00 0.00 C ATOM 1025 NH1 ARG A 68 5.811 9.081 0.829 1.00 0.00 N ATOM 1026 NH2 ARG A 68 6.948 7.870 -0.753 1.00 0.00 N ATOM 0 H ARG A 68 3.935 2.799 1.486 1.00 0.00 H new ATOM 0 HA ARG A 68 1.583 3.928 2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.258 4.621 -0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.045 5.673 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.411 5.454 2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.688 4.809 1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.348 7.405 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.563 7.400 2.364 1.00 0.00 H new ATOM 0 HE ARG A 68 5.449 6.012 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.090 9.140 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.379 9.899 0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.104 6.995 -1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.514 8.690 -0.971 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.321 3.589 0.866 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.476 3.258 0.038 1.00 0.00 C ATOM 1042 C LEU A 69 -1.459 4.053 -1.263 1.00 0.00 C ATOM 1043 O LEU A 69 -1.858 3.551 -2.314 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.772 3.535 0.802 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.031 2.656 2.025 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.347 3.036 2.686 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.033 1.185 1.634 1.00 0.00 C ATOM 0 H LEU A 69 -0.549 4.079 1.731 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.425 2.197 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.765 4.577 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.608 3.419 0.113 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.227 2.819 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.515 2.400 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.308 4.079 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.163 2.903 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.219 0.574 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.816 1.005 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.066 0.921 1.207 1.00 0.00 H new ATOM 1059 N SER A 70 -0.992 5.295 -1.186 1.00 0.00 N ATOM 1060 CA SER A 70 -0.924 6.161 -2.357 1.00 0.00 C ATOM 1061 C SER A 70 -0.109 5.507 -3.469 1.00 0.00 C ATOM 1062 O SER A 70 -0.239 5.863 -4.641 1.00 0.00 O ATOM 1063 CB SER A 70 -0.309 7.511 -1.985 1.00 0.00 C ATOM 1064 OG SER A 70 0.019 8.259 -3.143 1.00 0.00 O ATOM 0 H SER A 70 -0.655 5.724 -0.324 1.00 0.00 H new ATOM 0 HA SER A 70 -1.939 6.321 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.009 8.076 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.587 7.353 -1.385 1.00 0.00 H new ATOM 0 HG SER A 70 0.409 9.118 -2.878 1.00 0.00 H new ATOM 1070 N ASP A 71 0.731 4.549 -3.094 1.00 0.00 N ATOM 1071 CA ASP A 71 1.567 3.844 -4.058 1.00 0.00 C ATOM 1072 C ASP A 71 0.806 2.682 -4.690 1.00 0.00 C ATOM 1073 O ASP A 71 0.983 2.380 -5.871 1.00 0.00 O ATOM 1074 CB ASP A 71 2.839 3.329 -3.382 1.00 0.00 C ATOM 1075 CG ASP A 71 3.685 2.481 -4.311 1.00 0.00 C ATOM 1076 OD1 ASP A 71 3.125 1.576 -4.965 1.00 0.00 O ATOM 1077 OD2 ASP A 71 4.908 2.723 -4.385 1.00 0.00 O ATOM 0 H ASP A 71 0.851 4.243 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 71 1.842 4.546 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.428 4.176 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.568 2.742 -2.504 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.040 2.034 -3.896 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.826 0.904 -4.377 1.00 0.00 C ATOM 1084 C CYS A 72 -1.432 1.205 -5.744 1.00 0.00 C ATOM 1085 O CYS A 72 -2.529 1.756 -5.841 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.934 0.565 -3.379 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.345 -0.217 -1.859 1.00 0.00 S ATOM 0 H CYS A 72 -0.199 2.272 -2.917 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.160 0.047 -4.476 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.468 1.480 -3.121 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.652 -0.098 -3.861 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.030 -1.299 -1.634 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.709 0.843 -6.798 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.174 1.076 -8.161 1.00 0.00 C ATOM 1095 C LEU A 73 -2.625 0.635 -8.324 1.00 0.00 C ATOM 1096 O LEU A 73 -3.486 1.428 -8.707 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.287 0.328 -9.158 1.00 0.00 C ATOM 1098 CG LEU A 73 1.175 0.772 -9.219 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.015 -0.259 -9.958 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.292 2.135 -9.886 1.00 0.00 C ATOM 0 H LEU A 73 0.201 0.387 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.114 2.146 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.314 -0.734 -8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.721 0.436 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 73 1.552 0.856 -8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.052 0.074 -9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.957 -1.215 -9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.638 -0.375 -10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.339 2.435 -9.920 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.897 2.079 -10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.723 2.869 -9.316 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.889 -0.634 -8.030 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.236 -1.180 -8.143 1.00 0.00 C ATOM 1114 C ARG A 74 -4.439 -2.334 -7.167 1.00 0.00 C ATOM 1115 O ARG A 74 -3.476 -2.932 -6.687 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.498 -1.656 -9.574 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.120 -0.593 -10.465 1.00 0.00 C ATOM 1118 CD ARG A 74 -4.695 -0.764 -11.915 1.00 0.00 C ATOM 1119 NE ARG A 74 -3.385 -0.173 -12.174 1.00 0.00 N ATOM 1120 CZ ARG A 74 -2.709 -0.351 -13.303 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -3.216 -1.100 -14.273 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -1.522 0.220 -13.465 1.00 0.00 N ATOM 0 H ARG A 74 -2.188 -1.303 -7.712 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.943 -0.389 -7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.558 -1.984 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.157 -2.524 -9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.206 -0.647 -10.394 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.827 0.396 -10.113 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.669 -1.825 -12.163 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.436 -0.302 -12.567 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.966 0.408 -11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.128 -1.541 -14.153 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.694 -1.235 -15.139 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.128 0.797 -12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.004 0.082 -14.333 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.699 -2.643 -6.876 1.00 0.00 N ATOM 1137 CA VAL A 75 -6.029 -3.726 -5.957 1.00 0.00 C ATOM 1138 C VAL A 75 -7.255 -4.496 -6.433 1.00 0.00 C ATOM 1139 O VAL A 75 -8.045 -3.993 -7.232 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.289 -3.195 -4.535 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.090 -2.406 -4.031 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.548 -2.342 -4.507 1.00 0.00 C ATOM 0 H VAL A 75 -6.508 -2.158 -7.264 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.169 -4.396 -5.935 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.439 -4.046 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.293 -2.039 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.212 -3.051 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.905 -1.561 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.716 -1.975 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.430 -1.496 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.401 -2.942 -4.822 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.409 -5.718 -5.935 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.542 -6.558 -6.307 1.00 0.00 C ATOM 1154 C ALA A 76 -8.916 -7.508 -5.174 1.00 0.00 C ATOM 1155 O ALA A 76 -8.184 -7.638 -4.194 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.225 -7.341 -7.572 1.00 0.00 C ATOM 0 H ALA A 76 -6.764 -6.149 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.397 -5.909 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.079 -7.964 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.014 -6.647 -8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.354 -7.974 -7.400 1.00 0.00 H new ATOM 1162 N GLU A 77 -10.061 -8.168 -5.317 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.533 -9.105 -4.303 1.00 0.00 C ATOM 1164 C GLU A 77 -10.265 -10.546 -4.728 1.00 0.00 C ATOM 1165 O GLU A 77 -10.602 -10.949 -5.841 1.00 0.00 O ATOM 1166 CB GLU A 77 -12.028 -8.906 -4.050 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.333 -7.835 -3.016 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.672 -7.162 -3.250 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -13.871 -6.606 -4.351 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -14.520 -7.191 -2.334 1.00 0.00 O ATOM 0 H GLU A 77 -10.678 -8.072 -6.123 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.987 -8.909 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.515 -8.642 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.461 -9.851 -3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.324 -8.282 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.544 -7.083 -3.034 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.656 -11.317 -3.833 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.343 -12.713 -4.113 1.00 0.00 C ATOM 1179 C ALA A 78 -9.782 -13.615 -2.965 1.00 0.00 C ATOM 1180 O ALA A 78 -10.382 -13.154 -1.995 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.854 -12.877 -4.378 1.00 0.00 C ATOM 0 H ALA A 78 -9.369 -10.998 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.894 -13.012 -5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.635 -13.924 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.568 -12.269 -5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.291 -12.555 -3.502 1.00 0.00 H new ATOM 1187 N GLY A 79 -9.478 -14.904 -3.082 1.00 0.00 N ATOM 1188 CA GLY A 79 -9.849 -15.850 -2.046 1.00 0.00 C ATOM 1189 C GLY A 79 -10.244 -17.201 -2.609 1.00 0.00 C ATOM 1190 O GLY A 79 -11.051 -17.284 -3.534 1.00 0.00 O ATOM 0 H GLY A 79 -8.982 -15.310 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.013 -15.977 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.679 -15.444 -1.468 1.00 0.00 H new ATOM 1194 N GLY A 80 -9.673 -18.264 -2.051 1.00 0.00 N ATOM 1195 CA GLY A 80 -9.981 -19.603 -2.518 1.00 0.00 C ATOM 1196 C GLY A 80 -9.063 -20.052 -3.637 1.00 0.00 C ATOM 1197 O GLY A 80 -8.491 -21.140 -3.580 1.00 0.00 O ATOM 0 H GLY A 80 -9.002 -18.222 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.902 -20.302 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.014 -19.635 -2.865 1.00 0.00 H new ATOM 1201 N GLU A 81 -8.925 -19.213 -4.659 1.00 0.00 N ATOM 1202 CA GLU A 81 -8.072 -19.533 -5.798 1.00 0.00 C ATOM 1203 C GLU A 81 -6.597 -19.454 -5.413 1.00 0.00 C ATOM 1204 O GLU A 81 -5.748 -20.094 -6.032 1.00 0.00 O ATOM 1205 CB GLU A 81 -8.358 -18.580 -6.961 1.00 0.00 C ATOM 1206 CG GLU A 81 -8.415 -17.118 -6.550 1.00 0.00 C ATOM 1207 CD GLU A 81 -9.805 -16.686 -6.124 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -10.783 -17.346 -6.536 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -9.916 -15.689 -5.381 1.00 0.00 O ATOM 0 H GLU A 81 -9.392 -18.308 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.294 -20.553 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.586 -18.705 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.306 -18.857 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.718 -16.948 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.085 -16.497 -7.383 1.00 0.00 H new ATOM 1216 N ALA A 82 -6.302 -18.664 -4.386 1.00 0.00 N ATOM 1217 CA ALA A 82 -4.931 -18.502 -3.916 1.00 0.00 C ATOM 1218 C ALA A 82 -4.599 -19.520 -2.830 1.00 0.00 C ATOM 1219 O ALA A 82 -5.493 -20.067 -2.184 1.00 0.00 O ATOM 1220 CB ALA A 82 -4.714 -17.087 -3.400 1.00 0.00 C ATOM 0 H ALA A 82 -6.993 -18.126 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.261 -18.677 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.686 -16.980 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.901 -16.374 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.398 -16.892 -2.574 1.00 0.00 H new ATOM 1226 N SER A 83 -3.308 -19.771 -2.635 1.00 0.00 N ATOM 1227 CA SER A 83 -2.858 -20.727 -1.631 1.00 0.00 C ATOM 1228 C SER A 83 -3.604 -20.524 -0.315 1.00 0.00 C ATOM 1229 O SER A 83 -3.702 -21.438 0.503 1.00 0.00 O ATOM 1230 CB SER A 83 -1.352 -20.588 -1.402 1.00 0.00 C ATOM 1231 OG SER A 83 -0.619 -21.266 -2.408 1.00 0.00 O ATOM 0 H SER A 83 -2.555 -19.325 -3.160 1.00 0.00 H new ATOM 0 HA SER A 83 -3.071 -21.730 -2.000 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.078 -19.533 -1.396 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.091 -20.991 -0.423 1.00 0.00 H new ATOM 0 HG SER A 83 0.341 -21.161 -2.240 1.00 0.00 H new ATOM 1237 N SER A 84 -4.129 -19.319 -0.120 1.00 0.00 N ATOM 1238 CA SER A 84 -4.864 -18.993 1.097 1.00 0.00 C ATOM 1239 C SER A 84 -5.678 -20.191 1.577 1.00 0.00 C ATOM 1240 O SER A 84 -6.168 -20.998 0.787 1.00 0.00 O ATOM 1241 CB SER A 84 -5.787 -17.797 0.857 1.00 0.00 C ATOM 1242 OG SER A 84 -6.744 -18.086 -0.148 1.00 0.00 O ATOM 0 H SER A 84 -4.059 -18.552 -0.789 1.00 0.00 H new ATOM 0 HA SER A 84 -4.141 -18.734 1.870 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.296 -17.535 1.784 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.195 -16.930 0.562 1.00 0.00 H new ATOM 0 HG SER A 84 -6.400 -18.793 -0.733 1.00 0.00 H new ATOM 1248 N PRO A 85 -5.828 -20.310 2.905 1.00 0.00 N ATOM 1249 CA PRO A 85 -6.583 -21.405 3.521 1.00 0.00 C ATOM 1250 C PRO A 85 -8.081 -21.292 3.264 1.00 0.00 C ATOM 1251 O PRO A 85 -8.515 -20.552 2.381 1.00 0.00 O ATOM 1252 CB PRO A 85 -6.283 -21.246 5.014 1.00 0.00 C ATOM 1253 CG PRO A 85 -5.948 -19.804 5.182 1.00 0.00 C ATOM 1254 CD PRO A 85 -5.271 -19.385 3.906 1.00 0.00 C ATOM 0 HA PRO A 85 -6.298 -22.376 3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.143 -21.526 5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.454 -21.883 5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.846 -19.213 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.292 -19.653 6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.488 -18.346 3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.187 -19.475 3.978 1.00 0.00 H new ATOM 1262 N ARG A 86 -8.867 -22.031 4.041 1.00 0.00 N ATOM 1263 CA ARG A 86 -10.318 -22.014 3.896 1.00 0.00 C ATOM 1264 C ARG A 86 -10.942 -20.949 4.794 1.00 0.00 C ATOM 1265 O ARG A 86 -10.279 -20.400 5.674 1.00 0.00 O ATOM 1266 CB ARG A 86 -10.902 -23.387 4.234 1.00 0.00 C ATOM 1267 CG ARG A 86 -12.184 -23.705 3.483 1.00 0.00 C ATOM 1268 CD ARG A 86 -12.000 -23.563 1.981 1.00 0.00 C ATOM 1269 NE ARG A 86 -12.910 -24.427 1.233 1.00 0.00 N ATOM 1270 CZ ARG A 86 -12.695 -24.811 -0.020 1.00 0.00 C ATOM 1271 NH1 ARG A 86 -11.607 -24.410 -0.663 1.00 0.00 N ATOM 1272 NH2 ARG A 86 -13.569 -25.599 -0.633 1.00 0.00 N ATOM 0 H ARG A 86 -8.524 -22.648 4.777 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.551 -21.773 2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.160 -24.153 4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.097 -23.436 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.501 -24.721 3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.978 -23.038 3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.166 -22.525 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.971 -23.806 1.717 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.757 -24.753 1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.932 -23.805 -0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.445 -24.707 -1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.407 -25.910 -0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.403 -25.893 -1.595 1.00 0.00 H new ATOM 1286 N ASP A 87 -12.218 -20.663 4.564 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.932 -19.664 5.352 1.00 0.00 C ATOM 1288 C ASP A 87 -12.157 -18.351 5.395 1.00 0.00 C ATOM 1289 O ASP A 87 -12.137 -17.662 6.416 1.00 0.00 O ATOM 1290 CB ASP A 87 -13.168 -20.179 6.773 1.00 0.00 C ATOM 1291 CG ASP A 87 -14.318 -19.470 7.461 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -15.475 -19.664 7.034 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -14.061 -18.720 8.426 1.00 0.00 O ATOM 0 H ASP A 87 -12.780 -21.108 3.839 1.00 0.00 H new ATOM 0 HA ASP A 87 -13.895 -19.481 4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.372 -21.249 6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.259 -20.046 7.360 1.00 0.00 H new ATOM 1298 N THR A 88 -11.516 -18.010 4.281 1.00 0.00 N ATOM 1299 CA THR A 88 -10.738 -16.781 4.192 1.00 0.00 C ATOM 1300 C THR A 88 -10.887 -16.134 2.820 1.00 0.00 C ATOM 1301 O THR A 88 -11.466 -16.720 1.906 1.00 0.00 O ATOM 1302 CB THR A 88 -9.244 -17.041 4.466 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.826 -18.239 3.801 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.981 -17.166 5.959 1.00 0.00 C ATOM 0 H THR A 88 -11.521 -18.569 3.428 1.00 0.00 H new ATOM 0 HA THR A 88 -11.127 -16.105 4.953 1.00 0.00 H new ATOM 0 HB THR A 88 -8.674 -16.195 4.083 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.130 -19.019 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.920 -17.349 6.127 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.274 -16.242 6.459 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.561 -17.996 6.362 1.00 0.00 H new ATOM 1312 N SER A 89 -10.359 -14.922 2.683 1.00 0.00 N ATOM 1313 CA SER A 89 -10.436 -14.193 1.422 1.00 0.00 C ATOM 1314 C SER A 89 -9.206 -13.311 1.229 1.00 0.00 C ATOM 1315 O SER A 89 -9.073 -12.265 1.864 1.00 0.00 O ATOM 1316 CB SER A 89 -11.703 -13.338 1.380 1.00 0.00 C ATOM 1317 OG SER A 89 -12.864 -14.139 1.513 1.00 0.00 O ATOM 0 H SER A 89 -9.873 -14.424 3.429 1.00 0.00 H new ATOM 0 HA SER A 89 -10.471 -14.920 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.674 -12.599 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.743 -12.788 0.440 1.00 0.00 H new ATOM 0 HG SER A 89 -13.660 -13.568 1.485 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.310 -13.740 0.346 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.093 -12.990 0.066 1.00 0.00 C ATOM 1325 C ALA A 90 -7.358 -11.862 -0.925 1.00 0.00 C ATOM 1326 O ALA A 90 -8.249 -11.961 -1.770 1.00 0.00 O ATOM 1327 CB ALA A 90 -6.010 -13.918 -0.465 1.00 0.00 C ATOM 0 H ALA A 90 -8.405 -14.604 -0.188 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.749 -12.545 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.107 -13.343 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.792 -14.685 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.355 -14.391 -1.384 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.581 -10.789 -0.816 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.734 -9.641 -1.702 1.00 0.00 C ATOM 1335 C PHE A 91 -5.448 -9.379 -2.479 1.00 0.00 C ATOM 1336 O PHE A 91 -4.376 -9.859 -2.108 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.121 -8.398 -0.899 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.060 -7.954 0.067 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.853 -8.641 1.252 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.269 -6.851 -0.211 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.878 -8.235 2.143 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.292 -6.440 0.677 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.096 -7.134 1.855 1.00 0.00 C ATOM 0 H PHE A 91 -5.839 -10.691 -0.123 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.528 -9.866 -2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.337 -7.582 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.040 -8.602 -0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.461 -9.504 1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.417 -6.306 -1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.728 -8.778 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.683 -5.578 0.450 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.333 -6.816 2.550 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.562 -8.614 -3.560 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.409 -8.289 -4.392 1.00 0.00 C ATOM 1355 C PHE A 92 -3.834 -6.926 -4.015 1.00 0.00 C ATOM 1356 O PHE A 92 -4.508 -6.106 -3.390 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.801 -8.298 -5.871 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.756 -9.664 -6.494 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.568 -10.175 -6.989 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.903 -10.436 -6.585 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.525 -11.431 -7.564 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -5.866 -11.693 -7.158 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.675 -12.192 -7.647 1.00 0.00 C ATOM 0 H PHE A 92 -6.441 -8.208 -3.880 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.644 -9.047 -4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.808 -7.893 -5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.133 -7.635 -6.420 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.665 -9.586 -6.925 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.837 -10.051 -6.204 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.593 -11.817 -7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.767 -12.284 -7.223 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.643 -13.175 -8.093 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.583 -6.692 -4.397 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.916 -5.430 -4.099 1.00 0.00 C ATOM 1375 C LEU A 93 -0.730 -5.208 -5.032 1.00 0.00 C ATOM 1376 O LEU A 93 0.282 -5.903 -4.941 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.445 -5.410 -2.644 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.356 -4.032 -1.987 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.789 -4.148 -0.580 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.508 -3.092 -2.830 1.00 0.00 C ATOM 0 H LEU A 93 -2.011 -7.360 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.633 -4.623 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.123 -6.028 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.462 -5.878 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.362 -3.618 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.733 -3.158 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.437 -4.786 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.209 -4.584 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.456 -2.116 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.497 -3.501 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.957 -2.984 -3.818 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.861 -4.234 -5.928 1.00 0.00 N ATOM 1393 CA GLU A 94 0.201 -3.920 -6.876 1.00 0.00 C ATOM 1394 C GLU A 94 0.839 -2.573 -6.552 1.00 0.00 C ATOM 1395 O GLU A 94 0.148 -1.565 -6.399 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.348 -3.907 -8.304 1.00 0.00 C ATOM 1397 CG GLU A 94 0.708 -4.172 -9.364 1.00 0.00 C ATOM 1398 CD GLU A 94 0.200 -3.918 -10.770 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.735 -4.625 -11.201 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.737 -3.011 -11.440 1.00 0.00 O ATOM 0 H GLU A 94 -1.692 -3.649 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 94 0.966 -4.693 -6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.133 -4.658 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.811 -2.939 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.574 -3.538 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.046 -5.205 -9.285 1.00 0.00 H new ATOM 1407 N THR A 95 2.165 -2.562 -6.447 1.00 0.00 N ATOM 1408 CA THR A 95 2.897 -1.341 -6.139 1.00 0.00 C ATOM 1409 C THR A 95 4.033 -1.116 -7.130 1.00 0.00 C ATOM 1410 O THR A 95 4.593 -2.068 -7.676 1.00 0.00 O ATOM 1411 CB THR A 95 3.476 -1.377 -4.712 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.444 -2.427 -4.603 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.374 -1.589 -3.686 1.00 0.00 C ATOM 0 H THR A 95 2.753 -3.386 -6.571 1.00 0.00 H new ATOM 0 HA THR A 95 2.185 -0.519 -6.214 1.00 0.00 H new ATOM 0 HB THR A 95 3.956 -0.418 -4.514 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.249 -3.122 -5.266 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.807 -1.611 -2.686 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.654 -0.773 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.870 -2.535 -3.884 1.00 0.00 H new ATOM 1421 N LYS A 96 4.371 0.148 -7.360 1.00 0.00 N ATOM 1422 CA LYS A 96 5.442 0.499 -8.285 1.00 0.00 C ATOM 1423 C LYS A 96 6.592 -0.498 -8.188 1.00 0.00 C ATOM 1424 O LYS A 96 7.135 -0.933 -9.204 1.00 0.00 O ATOM 1425 CB LYS A 96 5.953 1.912 -7.994 1.00 0.00 C ATOM 1426 CG LYS A 96 4.893 2.988 -8.159 1.00 0.00 C ATOM 1427 CD LYS A 96 5.505 4.312 -8.585 1.00 0.00 C ATOM 1428 CE LYS A 96 5.698 4.377 -10.093 1.00 0.00 C ATOM 1429 NZ LYS A 96 4.403 4.525 -10.812 1.00 0.00 N ATOM 0 H LYS A 96 3.918 0.948 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 96 5.039 0.466 -9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.339 1.947 -6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.788 2.131 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.161 2.669 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.357 3.119 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.862 5.131 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.466 4.447 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.348 5.216 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.201 3.472 -10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.582 4.834 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.906 3.612 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.815 5.233 -10.327 1.00 0.00 H new ATOM 1443 N GLU A 97 6.957 -0.857 -6.961 1.00 0.00 N ATOM 1444 CA GLU A 97 8.043 -1.804 -6.734 1.00 0.00 C ATOM 1445 C GLU A 97 7.739 -3.148 -7.392 1.00 0.00 C ATOM 1446 O GLU A 97 8.386 -3.534 -8.366 1.00 0.00 O ATOM 1447 CB GLU A 97 8.274 -1.999 -5.234 1.00 0.00 C ATOM 1448 CG GLU A 97 8.824 -0.765 -4.538 1.00 0.00 C ATOM 1449 CD GLU A 97 10.335 -0.671 -4.626 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.989 -1.727 -4.754 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.863 0.459 -4.566 1.00 0.00 O ATOM 0 H GLU A 97 6.517 -0.507 -6.110 1.00 0.00 H new ATOM 0 HA GLU A 97 8.948 -1.395 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.332 -2.282 -4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.966 -2.828 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.382 0.126 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.525 -0.780 -3.490 1.00 0.00 H new ATOM 1458 N ARG A 98 6.752 -3.854 -6.852 1.00 0.00 N ATOM 1459 CA ARG A 98 6.363 -5.155 -7.384 1.00 0.00 C ATOM 1460 C ARG A 98 4.954 -5.527 -6.934 1.00 0.00 C ATOM 1461 O ARG A 98 4.276 -4.744 -6.267 1.00 0.00 O ATOM 1462 CB ARG A 98 7.355 -6.230 -6.935 1.00 0.00 C ATOM 1463 CG ARG A 98 7.261 -6.565 -5.456 1.00 0.00 C ATOM 1464 CD ARG A 98 8.339 -7.554 -5.039 1.00 0.00 C ATOM 1465 NE ARG A 98 9.653 -6.924 -4.946 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.650 -7.408 -4.214 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.483 -8.522 -3.515 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.817 -6.778 -4.180 1.00 0.00 N ATOM 0 H ARG A 98 6.207 -3.548 -6.046 1.00 0.00 H new ATOM 0 HA ARG A 98 6.373 -5.093 -8.472 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.183 -7.136 -7.516 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.368 -5.895 -7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.356 -5.652 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.278 -6.983 -5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.077 -7.991 -4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.379 -8.372 -5.759 1.00 0.00 H new ATOM 0 HE ARG A 98 9.814 -6.065 -5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.587 -9.009 -3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.250 -8.892 -2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.950 -5.921 -4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.582 -7.151 -3.617 1.00 0.00 H new ATOM 1482 N LEU A 99 4.518 -6.727 -7.303 1.00 0.00 N ATOM 1483 CA LEU A 99 3.189 -7.204 -6.938 1.00 0.00 C ATOM 1484 C LEU A 99 3.245 -8.061 -5.678 1.00 0.00 C ATOM 1485 O LEU A 99 4.008 -9.025 -5.603 1.00 0.00 O ATOM 1486 CB LEU A 99 2.580 -8.008 -8.088 1.00 0.00 C ATOM 1487 CG LEU A 99 1.204 -8.620 -7.825 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.158 -7.530 -7.657 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.816 -9.566 -8.953 1.00 0.00 C ATOM 0 H LEU A 99 5.066 -7.387 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 99 2.561 -6.336 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.506 -7.358 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.269 -8.812 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 99 1.254 -9.193 -6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.815 -7.985 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.428 -6.893 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.110 -6.929 -8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.166 -9.992 -8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.785 -9.017 -9.894 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.551 -10.367 -9.025 1.00 0.00 H new ATOM 1501 N TYR A 100 2.431 -7.705 -4.690 1.00 0.00 N ATOM 1502 CA TYR A 100 2.388 -8.442 -3.432 1.00 0.00 C ATOM 1503 C TYR A 100 1.050 -9.153 -3.263 1.00 0.00 C ATOM 1504 O TYR A 100 0.004 -8.638 -3.662 1.00 0.00 O ATOM 1505 CB TYR A 100 2.628 -7.495 -2.255 1.00 0.00 C ATOM 1506 CG TYR A 100 4.009 -6.880 -2.243 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.126 -7.638 -1.913 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.197 -5.541 -2.564 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.389 -7.080 -1.901 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.457 -4.975 -2.556 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.550 -5.748 -2.223 1.00 0.00 C ATOM 1512 OH TYR A 100 7.807 -5.189 -2.213 1.00 0.00 O ATOM 0 H TYR A 100 1.792 -6.911 -4.736 1.00 0.00 H new ATOM 0 HA TYR A 100 3.177 -9.193 -3.452 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.885 -6.698 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.474 -8.040 -1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.004 -8.681 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.343 -4.933 -2.824 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.246 -7.683 -1.641 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.586 -3.933 -2.809 1.00 0.00 H new ATOM 0 HH TYR A 100 7.747 -4.244 -2.464 1.00 0.00 H new ATOM 1522 N LEU A 101 1.089 -10.341 -2.668 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.120 -11.125 -2.444 1.00 0.00 C ATOM 1524 C LEU A 101 -0.285 -11.461 -0.966 1.00 0.00 C ATOM 1525 O LEU A 101 0.480 -12.248 -0.408 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.077 -12.412 -3.270 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.336 -13.279 -3.228 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.515 -12.538 -3.838 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.100 -14.598 -3.950 1.00 0.00 C ATOM 0 H LEU A 101 1.945 -10.782 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.975 -10.527 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.123 -12.147 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.765 -13.013 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.570 -13.496 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.402 -13.171 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.698 -11.621 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.291 -12.290 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.006 -15.202 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.840 -14.402 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.284 -15.136 -3.467 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.290 -10.861 -0.337 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.557 -11.098 1.078 1.00 0.00 C ATOM 1543 C LEU A 102 -2.919 -11.759 1.271 1.00 0.00 C ATOM 1544 O LEU A 102 -3.776 -11.706 0.389 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.502 -9.782 1.855 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.135 -9.100 1.923 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.049 -8.155 0.746 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.024 -8.354 3.240 1.00 0.00 C ATOM 0 H LEU A 102 -1.933 -10.207 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.789 -11.771 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.211 -9.087 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.843 -9.970 2.873 1.00 0.00 H new ATOM 0 HG LEU A 102 0.636 -9.868 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.027 -7.679 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.020 -8.717 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.728 -7.391 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.003 -7.875 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.754 -7.596 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.062 -9.057 4.069 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.110 -12.379 2.430 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.369 -13.046 2.741 1.00 0.00 C ATOM 1562 C ALA A 103 -5.088 -12.352 3.893 1.00 0.00 C ATOM 1563 O ALA A 103 -4.454 -11.849 4.820 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.121 -14.509 3.076 1.00 0.00 C ATOM 0 H ALA A 103 -2.410 -12.434 3.169 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.010 -12.989 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.069 -14.995 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.657 -15.004 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.459 -14.577 3.939 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.415 -12.328 3.826 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.221 -11.696 4.864 1.00 0.00 C ATOM 1572 C ALA A 104 -8.499 -12.487 5.124 1.00 0.00 C ATOM 1573 O ALA A 104 -9.049 -13.134 4.233 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.554 -10.264 4.476 1.00 0.00 C ATOM 0 H ALA A 104 -6.955 -12.739 3.064 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.638 -11.684 5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.156 -9.805 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.631 -9.698 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.114 -10.261 3.541 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.983 -12.435 6.374 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.203 -13.140 6.780 1.00 0.00 C ATOM 1582 C PRO A 105 -11.457 -12.532 6.163 1.00 0.00 C ATOM 1583 O PRO A 105 -11.731 -11.345 6.334 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.219 -12.973 8.301 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.437 -11.730 8.554 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.379 -11.683 7.486 1.00 0.00 C ATOM 0 HA PRO A 105 -10.202 -14.179 6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.238 -12.884 8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.769 -13.832 8.798 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.078 -10.849 8.508 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.989 -11.746 9.547 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.144 -10.658 7.198 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.448 -12.141 7.822 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.216 -13.354 5.445 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.443 -12.897 4.805 1.00 0.00 C ATOM 1596 C ALA A 106 -14.184 -11.898 5.688 1.00 0.00 C ATOM 1597 O ALA A 106 -14.915 -11.040 5.194 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.340 -14.081 4.476 1.00 0.00 C ATOM 0 H ALA A 106 -12.002 -14.340 5.292 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.173 -12.392 3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.253 -13.724 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.817 -14.757 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.594 -14.611 5.394 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.992 -12.018 6.998 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.641 -11.125 7.950 1.00 0.00 C ATOM 1606 C ALA A 107 -14.116 -9.700 7.812 1.00 0.00 C ATOM 1607 O ALA A 107 -14.891 -8.744 7.779 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.437 -11.629 9.370 1.00 0.00 C ATOM 0 H ALA A 107 -13.392 -12.725 7.424 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.709 -11.114 7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.927 -10.952 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.867 -12.626 9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.371 -11.671 9.592 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.796 -9.565 7.733 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.169 -8.256 7.600 1.00 0.00 C ATOM 1616 C GLU A 108 -12.075 -7.843 6.134 1.00 0.00 C ATOM 1617 O GLU A 108 -12.306 -6.685 5.788 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.773 -8.268 8.228 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.763 -8.719 9.679 1.00 0.00 C ATOM 1620 CD GLU A 108 -10.986 -7.575 10.648 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -10.001 -6.889 10.992 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -12.146 -7.365 11.062 1.00 0.00 O ATOM 0 H GLU A 108 -12.141 -10.346 7.759 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.790 -7.530 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.128 -8.927 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.346 -7.267 8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.538 -9.471 9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.809 -9.197 9.900 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.733 -8.800 5.277 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.606 -8.537 3.849 1.00 0.00 C ATOM 1631 C ARG A 109 -12.630 -7.501 3.394 1.00 0.00 C ATOM 1632 O ARG A 109 -12.271 -6.431 2.904 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.786 -9.830 3.052 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.152 -9.788 1.671 1.00 0.00 C ATOM 1635 CD ARG A 109 -11.987 -8.969 0.700 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.400 -9.334 0.751 1.00 0.00 N ATOM 1637 CZ ARG A 109 -13.912 -10.385 0.120 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -13.130 -11.171 -0.606 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.209 -10.651 0.216 1.00 0.00 N ATOM 0 H ARG A 109 -11.539 -9.764 5.547 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.607 -8.141 3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.354 -10.657 3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.851 -10.037 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.151 -9.362 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.040 -10.803 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.878 -7.910 0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.611 -9.114 -0.313 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.029 -8.749 1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.133 -10.970 -0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -13.525 -11.977 -1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.813 -10.048 0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.601 -11.458 -0.269 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.909 -7.827 3.560 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.965 -6.916 3.161 1.00 0.00 C ATOM 1655 C GLY A 110 -14.640 -5.472 3.491 1.00 0.00 C ATOM 1656 O GLY A 110 -14.838 -4.580 2.665 1.00 0.00 O ATOM 0 H GLY A 110 -14.232 -8.706 3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.137 -7.011 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.892 -7.199 3.659 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.141 -5.241 4.700 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.789 -3.895 5.137 1.00 0.00 C ATOM 1662 C ASP A 111 -12.442 -3.472 4.560 1.00 0.00 C ATOM 1663 O ASP A 111 -12.332 -2.427 3.918 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.748 -3.827 6.665 1.00 0.00 C ATOM 1665 CG ASP A 111 -13.880 -2.409 7.185 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -14.496 -1.576 6.487 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -13.369 -2.133 8.290 1.00 0.00 O ATOM 0 H ASP A 111 -13.971 -5.968 5.395 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.552 -3.209 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.553 -4.438 7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -12.811 -4.255 7.020 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.421 -4.288 4.795 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.081 -3.996 4.299 1.00 0.00 C ATOM 1674 C TRP A 112 -10.137 -3.400 2.897 1.00 0.00 C ATOM 1675 O TRP A 112 -9.907 -2.205 2.711 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.230 -5.267 4.292 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.575 -5.551 5.610 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.747 -6.659 6.389 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.644 -4.711 6.302 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -7.980 -6.559 7.525 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.293 -5.374 7.495 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.072 -3.466 6.030 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.398 -4.830 8.412 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.184 -2.928 6.942 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.853 -3.609 8.120 1.00 0.00 C ATOM 0 H TRP A 112 -11.495 -5.156 5.325 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.625 -3.265 4.966 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.858 -6.114 4.016 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.461 -5.177 3.524 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.391 -7.492 6.148 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.930 -7.254 8.270 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.319 -2.934 5.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.143 -5.353 9.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.737 -1.965 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.154 -3.162 8.811 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.444 -4.239 1.913 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.531 -3.794 0.527 1.00 0.00 C ATOM 1698 C VAL A 113 -11.327 -2.498 0.416 1.00 0.00 C ATOM 1699 O VAL A 113 -11.020 -1.639 -0.411 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.186 -4.864 -0.366 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.385 -4.333 -1.778 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.347 -6.133 -0.379 1.00 0.00 C ATOM 0 H VAL A 113 -10.637 -5.231 2.050 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.511 -3.621 0.185 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.165 -5.107 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.849 -5.103 -2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.029 -3.454 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.419 -4.061 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.825 -6.878 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.353 -5.908 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.261 -6.523 0.635 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.350 -2.364 1.254 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.190 -1.173 1.249 1.00 0.00 C ATOM 1714 C GLN A 114 -12.388 0.061 1.649 1.00 0.00 C ATOM 1715 O GLN A 114 -12.203 0.979 0.850 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.375 -1.355 2.199 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.527 -0.401 1.925 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.216 -0.683 0.605 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -15.747 -1.495 -0.193 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.337 -0.011 0.366 1.00 0.00 N ATOM 0 H GLN A 114 -12.617 -3.066 1.945 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.564 -1.028 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.737 -2.380 2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.033 -1.214 3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.255 -0.474 2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.154 0.623 1.924 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.690 0.653 1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.844 -0.159 -0.507 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.914 0.076 2.890 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.130 1.196 3.395 1.00 0.00 C ATOM 1731 C ALA A 115 -9.915 1.459 2.511 1.00 0.00 C ATOM 1732 O ALA A 115 -9.666 2.594 2.105 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.694 0.931 4.829 1.00 0.00 C ATOM 0 H ALA A 115 -12.059 -0.675 3.565 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.760 2.086 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.109 1.776 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.574 0.800 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.086 0.027 4.863 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.163 0.403 2.218 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.975 0.521 1.382 1.00 0.00 C ATOM 1741 C ILE A 116 -8.321 1.101 0.014 1.00 0.00 C ATOM 1742 O ILE A 116 -7.714 2.077 -0.429 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.284 -0.842 1.190 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.983 -1.481 2.547 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -6.007 -0.679 0.379 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.566 -2.932 2.452 1.00 0.00 C ATOM 0 H ILE A 116 -9.355 -0.543 2.547 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.292 1.196 1.898 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.957 -1.500 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.191 -0.915 3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.868 -1.406 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.530 -1.651 0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.248 -0.262 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.327 -0.007 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.369 -3.320 3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.365 -3.511 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.663 -3.012 1.847 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.299 0.495 -0.648 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.727 0.951 -1.966 1.00 0.00 C ATOM 1760 C CYS A 117 -10.302 2.362 -1.893 1.00 0.00 C ATOM 1761 O CYS A 117 -10.384 3.064 -2.902 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.768 -0.007 -2.547 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.313 0.420 -4.218 1.00 0.00 S ATOM 0 H CYS A 117 -9.811 -0.313 -0.294 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.854 0.967 -2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.353 -1.015 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.636 -0.027 -1.887 1.00 0.00 H new ATOM 0 HG CYS A 117 -11.171 1.698 -4.407 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.699 2.771 -0.693 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.268 4.099 -0.488 1.00 0.00 C ATOM 1771 C LEU A 118 -10.172 5.126 -0.221 1.00 0.00 C ATOM 1772 O LEU A 118 -10.311 6.301 -0.565 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.257 4.077 0.679 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.707 3.747 0.324 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.498 3.402 1.577 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.353 4.911 -0.413 1.00 0.00 C ATOM 0 H LEU A 118 -10.638 2.203 0.152 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.795 4.386 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.908 3.348 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.236 5.052 1.165 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.712 2.878 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.528 3.170 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.048 2.537 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.486 4.251 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.385 4.659 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.337 5.797 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.801 5.112 -1.331 1.00 0.00 H new ATOM 1788 N LEU A 119 -9.083 4.675 0.390 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.961 5.554 0.701 1.00 0.00 C ATOM 1790 C LEU A 119 -6.953 5.576 -0.444 1.00 0.00 C ATOM 1791 O LEU A 119 -6.660 6.631 -1.005 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.275 5.102 1.991 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.858 5.656 3.292 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.271 4.929 4.492 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.603 7.153 3.395 1.00 0.00 C ATOM 0 H LEU A 119 -8.952 3.706 0.680 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.349 6.563 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.310 4.013 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.224 5.385 1.938 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.935 5.491 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.697 5.337 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.505 3.867 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.189 5.062 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.024 7.531 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.529 7.341 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.072 7.661 2.552 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.428 4.404 -0.786 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.457 4.288 -1.866 1.00 0.00 C ATOM 1809 C ALA A 120 -5.953 4.986 -3.128 1.00 0.00 C ATOM 1810 O ALA A 120 -5.169 5.573 -3.874 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.159 2.824 -2.153 1.00 0.00 C ATOM 0 H ALA A 120 -6.659 3.521 -0.330 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.537 4.779 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.432 2.752 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.753 2.353 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.078 2.316 -2.445 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.260 4.919 -3.361 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.860 5.543 -4.534 1.00 0.00 C ATOM 1819 C PHE A 121 -8.939 6.542 -4.125 1.00 0.00 C ATOM 1820 O PHE A 121 -9.990 6.631 -4.760 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.458 4.478 -5.455 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.587 3.265 -5.613 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.393 2.392 -4.554 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -6.961 2.997 -6.820 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.592 1.275 -4.697 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.160 1.881 -6.968 1.00 0.00 C ATOM 1827 CZ PHE A 121 -5.974 1.019 -5.905 1.00 0.00 C ATOM 0 H PHE A 121 -7.923 4.439 -2.753 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.077 6.079 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.427 4.171 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.637 4.917 -6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.873 2.587 -3.606 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.101 3.668 -7.654 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.449 0.602 -3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.679 1.683 -7.915 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.347 0.147 -6.018 1.00 0.00 H new ATOM 1837 N SER A 122 -8.671 7.292 -3.061 1.00 0.00 N ATOM 1838 CA SER A 122 -9.620 8.281 -2.564 1.00 0.00 C ATOM 1839 C SER A 122 -10.013 9.259 -3.668 1.00 0.00 C ATOM 1840 O SER A 122 -11.192 9.412 -3.986 1.00 0.00 O ATOM 1841 CB SER A 122 -9.021 9.044 -1.381 1.00 0.00 C ATOM 1842 OG SER A 122 -7.740 9.559 -1.702 1.00 0.00 O ATOM 0 H SER A 122 -7.804 7.234 -2.526 1.00 0.00 H new ATOM 0 HA SER A 122 -10.515 7.755 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.684 9.861 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 122 -8.945 8.382 -0.518 1.00 0.00 H new ATOM 0 HG SER A 122 -7.069 8.851 -1.604 1.00 0.00 H new ATOM 1848 N GLY A 123 -9.015 9.918 -4.249 1.00 0.00 N ATOM 1849 CA GLY A 123 -9.276 10.873 -5.311 1.00 0.00 C ATOM 1850 C GLY A 123 -9.314 12.302 -4.808 1.00 0.00 C ATOM 1851 O GLY A 123 -10.377 12.857 -4.529 1.00 0.00 O ATOM 0 H GLY A 123 -8.031 9.808 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.505 10.781 -6.076 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -10.227 10.633 -5.786 1.00 0.00 H new ATOM 1855 N PRO A 124 -8.131 12.922 -4.686 1.00 0.00 N ATOM 1856 CA PRO A 124 -8.006 14.304 -4.212 1.00 0.00 C ATOM 1857 C PRO A 124 -8.541 15.313 -5.222 1.00 0.00 C ATOM 1858 O PRO A 124 -9.006 16.391 -4.850 1.00 0.00 O ATOM 1859 CB PRO A 124 -6.497 14.481 -4.027 1.00 0.00 C ATOM 1860 CG PRO A 124 -5.883 13.494 -4.960 1.00 0.00 C ATOM 1861 CD PRO A 124 -6.823 12.322 -5.001 1.00 0.00 C ATOM 0 HA PRO A 124 -8.583 14.477 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -6.185 15.498 -4.265 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -6.199 14.290 -2.996 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -5.753 13.924 -5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.896 13.190 -4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -6.826 11.843 -5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -6.546 11.559 -4.274 1.00 0.00 H new ATOM 1869 N SER A 125 -8.472 14.957 -6.501 1.00 0.00 N ATOM 1870 CA SER A 125 -8.946 15.834 -7.565 1.00 0.00 C ATOM 1871 C SER A 125 -10.410 16.207 -7.350 1.00 0.00 C ATOM 1872 O SER A 125 -11.259 15.339 -7.146 1.00 0.00 O ATOM 1873 CB SER A 125 -8.775 15.158 -8.926 1.00 0.00 C ATOM 1874 OG SER A 125 -9.503 13.944 -8.988 1.00 0.00 O ATOM 0 H SER A 125 -8.092 14.067 -6.825 1.00 0.00 H new ATOM 0 HA SER A 125 -8.350 16.746 -7.543 1.00 0.00 H new ATOM 0 HB2 SER A 125 -9.115 15.830 -9.714 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.718 14.962 -9.108 1.00 0.00 H new ATOM 0 HG SER A 125 -10.295 14.008 -8.415 1.00 0.00 H new ATOM 1880 N SER A 126 -10.697 17.504 -7.396 1.00 0.00 N ATOM 1881 CA SER A 126 -12.058 17.993 -7.203 1.00 0.00 C ATOM 1882 C SER A 126 -12.863 17.882 -8.494 1.00 0.00 C ATOM 1883 O SER A 126 -12.307 17.910 -9.590 1.00 0.00 O ATOM 1884 CB SER A 126 -12.036 19.446 -6.725 1.00 0.00 C ATOM 1885 OG SER A 126 -11.694 20.326 -7.781 1.00 0.00 O ATOM 0 H SER A 126 -10.006 18.235 -7.565 1.00 0.00 H new ATOM 0 HA SER A 126 -12.536 17.375 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 126 -13.014 19.715 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 126 -11.319 19.553 -5.911 1.00 0.00 H new ATOM 0 HG SER A 126 -11.689 21.248 -7.450 1.00 0.00 H new ATOM 1891 N GLY A 127 -14.180 17.757 -8.353 1.00 0.00 N ATOM 1892 CA GLY A 127 -15.042 17.643 -9.515 1.00 0.00 C ATOM 1893 C GLY A 127 -16.445 17.197 -9.155 1.00 0.00 C ATOM 1894 O GLY A 127 -16.945 16.208 -9.689 1.00 0.00 O ATOM 0 H GLY A 127 -14.664 17.733 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -15.090 18.606 -10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -14.607 16.932 -10.218 1.00 0.00 H new TER 1898 GLY A 127