USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0742 (180deg=0) USER MOD Single : A 2 SER OG : rot 8:sc= 1.17 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 0.627 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0123) USER MOD Single : A 23 ASN : amide:sc= -7.35! C(o=-7.3!,f=-2.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 68:sc= -0.508 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -144:sc= -0.0779 (180deg=-1.81) USER MOD Single : A 32 GLN : amide:sc= 0.00741 X(o=0.0074,f=0) USER MOD Single : A 39 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-4.1!) USER MOD Single : A 42 GLN : amide:sc= -4.07! C(o=-4.1!,f=-6.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.231 K(o=-0.23,f=-3.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -88:sc= 0.137 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.142 36.476 -6.144 1.00 0.00 N ATOM 2 CA GLY A 1 10.070 35.345 -5.238 1.00 0.00 C ATOM 3 C GLY A 1 9.208 35.628 -4.024 1.00 0.00 C ATOM 4 O GLY A 1 8.541 36.660 -3.955 1.00 0.00 O ATOM 0 H1 GLY A 1 10.050 36.142 -7.124 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.371 37.141 -5.931 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.057 36.957 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.670 34.482 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.076 35.080 -4.912 1.00 0.00 H new ATOM 8 N SER A 2 9.220 34.708 -3.064 1.00 0.00 N ATOM 9 CA SER A 2 8.429 34.862 -1.849 1.00 0.00 C ATOM 10 C SER A 2 8.858 33.850 -0.790 1.00 0.00 C ATOM 11 O SER A 2 9.560 32.884 -1.088 1.00 0.00 O ATOM 12 CB SER A 2 6.940 34.691 -2.160 1.00 0.00 C ATOM 13 OG SER A 2 6.397 35.876 -2.717 1.00 0.00 O ATOM 0 H SER A 2 9.768 33.849 -3.104 1.00 0.00 H new ATOM 0 HA SER A 2 8.599 35.865 -1.458 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.803 33.863 -2.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.402 34.434 -1.248 1.00 0.00 H new ATOM 0 HG SER A 2 7.120 36.511 -2.903 1.00 0.00 H new ATOM 19 N SER A 3 8.430 34.080 0.447 1.00 0.00 N ATOM 20 CA SER A 3 8.772 33.193 1.552 1.00 0.00 C ATOM 21 C SER A 3 7.514 32.659 2.229 1.00 0.00 C ATOM 22 O SER A 3 6.514 33.365 2.352 1.00 0.00 O ATOM 23 CB SER A 3 9.643 33.927 2.573 1.00 0.00 C ATOM 24 OG SER A 3 8.917 34.966 3.208 1.00 0.00 O ATOM 0 H SER A 3 7.845 34.874 0.709 1.00 0.00 H new ATOM 0 HA SER A 3 9.332 32.349 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.005 33.222 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.520 34.342 2.076 1.00 0.00 H new ATOM 0 HG SER A 3 9.495 35.419 3.857 1.00 0.00 H new ATOM 30 N GLY A 4 7.572 31.405 2.669 1.00 0.00 N ATOM 31 CA GLY A 4 6.432 30.797 3.329 1.00 0.00 C ATOM 32 C GLY A 4 6.702 29.367 3.753 1.00 0.00 C ATOM 33 O GLY A 4 6.726 28.459 2.921 1.00 0.00 O ATOM 0 H GLY A 4 8.388 30.800 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.165 31.388 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.574 30.818 2.657 1.00 0.00 H new ATOM 37 N SER A 5 6.909 29.165 5.050 1.00 0.00 N ATOM 38 CA SER A 5 7.185 27.835 5.582 1.00 0.00 C ATOM 39 C SER A 5 5.892 27.050 5.779 1.00 0.00 C ATOM 40 O SER A 5 5.122 27.323 6.700 1.00 0.00 O ATOM 41 CB SER A 5 7.939 27.940 6.909 1.00 0.00 C ATOM 42 OG SER A 5 7.211 28.711 7.849 1.00 0.00 O ATOM 0 H SER A 5 6.891 29.905 5.752 1.00 0.00 H new ATOM 0 HA SER A 5 7.806 27.303 4.861 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.115 26.942 7.311 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.916 28.393 6.741 1.00 0.00 H new ATOM 0 HG SER A 5 6.257 28.501 7.775 1.00 0.00 H new ATOM 48 N SER A 6 5.662 26.073 4.908 1.00 0.00 N ATOM 49 CA SER A 6 4.461 25.249 4.983 1.00 0.00 C ATOM 50 C SER A 6 4.802 23.831 5.429 1.00 0.00 C ATOM 51 O SER A 6 5.943 23.387 5.308 1.00 0.00 O ATOM 52 CB SER A 6 3.756 25.214 3.626 1.00 0.00 C ATOM 53 OG SER A 6 2.844 26.291 3.497 1.00 0.00 O ATOM 0 H SER A 6 6.291 25.833 4.142 1.00 0.00 H new ATOM 0 HA SER A 6 3.792 25.692 5.721 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.496 25.262 2.827 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.226 24.269 3.513 1.00 0.00 H new ATOM 0 HG SER A 6 2.408 26.247 2.621 1.00 0.00 H new ATOM 59 N GLY A 7 3.802 23.123 5.945 1.00 0.00 N ATOM 60 CA GLY A 7 4.015 21.762 6.402 1.00 0.00 C ATOM 61 C GLY A 7 2.818 20.869 6.142 1.00 0.00 C ATOM 62 O GLY A 7 2.838 20.044 5.230 1.00 0.00 O ATOM 0 H GLY A 7 2.848 23.468 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.890 21.347 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.233 21.771 7.470 1.00 0.00 H new ATOM 66 N GLU A 8 1.773 21.033 6.948 1.00 0.00 N ATOM 67 CA GLU A 8 0.563 20.233 6.802 1.00 0.00 C ATOM 68 C GLU A 8 -0.459 20.948 5.922 1.00 0.00 C ATOM 69 O GLU A 8 -1.375 21.601 6.422 1.00 0.00 O ATOM 70 CB GLU A 8 -0.047 19.935 8.173 1.00 0.00 C ATOM 71 CG GLU A 8 -1.195 18.940 8.125 1.00 0.00 C ATOM 72 CD GLU A 8 -1.718 18.588 9.504 1.00 0.00 C ATOM 73 OE1 GLU A 8 -1.998 19.517 10.289 1.00 0.00 O ATOM 74 OE2 GLU A 8 -1.849 17.381 9.797 1.00 0.00 O ATOM 0 H GLU A 8 1.741 21.712 7.708 1.00 0.00 H new ATOM 0 HA GLU A 8 0.835 19.293 6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.731 19.548 8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.403 20.866 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.007 19.355 7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.863 18.031 7.623 1.00 0.00 H new ATOM 81 N ASP A 9 -0.294 20.819 4.610 1.00 0.00 N ATOM 82 CA ASP A 9 -1.202 21.452 3.660 1.00 0.00 C ATOM 83 C ASP A 9 -2.446 20.597 3.446 1.00 0.00 C ATOM 84 O ASP A 9 -2.388 19.367 3.421 1.00 0.00 O ATOM 85 CB ASP A 9 -0.493 21.688 2.325 1.00 0.00 C ATOM 86 CG ASP A 9 0.886 22.293 2.501 1.00 0.00 C ATOM 87 OD1 ASP A 9 1.046 23.156 3.389 1.00 0.00 O ATOM 88 OD2 ASP A 9 1.805 21.905 1.749 1.00 0.00 O ATOM 0 H ASP A 9 0.459 20.282 4.180 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.510 22.412 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.406 20.742 1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.100 22.349 1.706 1.00 0.00 H new ATOM 93 N PRO A 10 -3.601 21.261 3.287 1.00 0.00 N ATOM 94 CA PRO A 10 -4.882 20.581 3.073 1.00 0.00 C ATOM 95 C PRO A 10 -4.963 19.917 1.703 1.00 0.00 C ATOM 96 O PRO A 10 -5.995 19.354 1.335 1.00 0.00 O ATOM 97 CB PRO A 10 -5.906 21.713 3.179 1.00 0.00 C ATOM 98 CG PRO A 10 -5.150 22.944 2.816 1.00 0.00 C ATOM 99 CD PRO A 10 -3.745 22.726 3.305 1.00 0.00 C ATOM 0 HA PRO A 10 -5.041 19.775 3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.746 21.551 2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.316 21.783 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.167 23.109 1.739 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.593 23.825 3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.014 23.210 2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.601 23.132 4.306 1.00 0.00 H new ATOM 107 N PHE A 11 -3.869 19.985 0.951 1.00 0.00 N ATOM 108 CA PHE A 11 -3.817 19.390 -0.379 1.00 0.00 C ATOM 109 C PHE A 11 -2.701 18.353 -0.468 1.00 0.00 C ATOM 110 O PHE A 11 -1.960 18.306 -1.449 1.00 0.00 O ATOM 111 CB PHE A 11 -3.606 20.474 -1.438 1.00 0.00 C ATOM 112 CG PHE A 11 -4.888 21.037 -1.982 1.00 0.00 C ATOM 113 CD1 PHE A 11 -5.874 20.199 -2.476 1.00 0.00 C ATOM 114 CD2 PHE A 11 -5.106 22.405 -2.000 1.00 0.00 C ATOM 115 CE1 PHE A 11 -7.055 20.714 -2.977 1.00 0.00 C ATOM 116 CE2 PHE A 11 -6.285 22.926 -2.499 1.00 0.00 C ATOM 117 CZ PHE A 11 -7.260 22.080 -2.990 1.00 0.00 C ATOM 0 H PHE A 11 -3.007 20.446 1.240 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.768 18.891 -0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.017 21.283 -1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.023 20.059 -2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.718 19.130 -2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.346 23.072 -1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.816 20.049 -3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.444 23.994 -2.505 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.181 22.485 -3.383 1.00 0.00 H new ATOM 127 N GLN A 12 -2.588 17.524 0.566 1.00 0.00 N ATOM 128 CA GLN A 12 -1.561 16.489 0.605 1.00 0.00 C ATOM 129 C GLN A 12 -2.157 15.120 0.296 1.00 0.00 C ATOM 130 O GLN A 12 -3.340 14.864 0.525 1.00 0.00 O ATOM 131 CB GLN A 12 -0.884 16.466 1.976 1.00 0.00 C ATOM 132 CG GLN A 12 -1.846 16.219 3.127 1.00 0.00 C ATOM 133 CD GLN A 12 -1.133 15.937 4.434 1.00 0.00 C ATOM 134 OE1 GLN A 12 -1.220 14.836 4.977 1.00 0.00 O ATOM 135 NE2 GLN A 12 -0.422 16.934 4.948 1.00 0.00 N ATOM 0 H GLN A 12 -3.194 17.549 1.386 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.816 16.721 -0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.119 15.690 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.375 17.417 2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.490 17.089 3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.492 15.376 2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.377 17.831 4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.079 16.803 5.827 1.00 0.00 H new ATOM 144 N PRO A 13 -1.321 14.217 -0.238 1.00 0.00 N ATOM 145 CA PRO A 13 -1.744 12.858 -0.590 1.00 0.00 C ATOM 146 C PRO A 13 -2.037 12.005 0.639 1.00 0.00 C ATOM 147 O PRO A 13 -1.571 12.304 1.738 1.00 0.00 O ATOM 148 CB PRO A 13 -0.540 12.300 -1.354 1.00 0.00 C ATOM 149 CG PRO A 13 0.624 13.078 -0.847 1.00 0.00 C ATOM 150 CD PRO A 13 0.101 14.453 -0.538 1.00 0.00 C ATOM 0 HA PRO A 13 -2.670 12.855 -1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.414 11.233 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.661 12.425 -2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.047 12.612 0.043 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.419 13.121 -1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.622 14.900 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.227 15.130 -1.383 1.00 0.00 H new ATOM 158 N GLU A 14 -2.811 10.942 0.445 1.00 0.00 N ATOM 159 CA GLU A 14 -3.165 10.046 1.540 1.00 0.00 C ATOM 160 C GLU A 14 -2.074 9.004 1.766 1.00 0.00 C ATOM 161 O GLU A 14 -2.215 7.846 1.372 1.00 0.00 O ATOM 162 CB GLU A 14 -4.497 9.351 1.249 1.00 0.00 C ATOM 163 CG GLU A 14 -5.661 10.312 1.081 1.00 0.00 C ATOM 164 CD GLU A 14 -5.843 10.763 -0.356 1.00 0.00 C ATOM 165 OE1 GLU A 14 -5.736 9.911 -1.262 1.00 0.00 O ATOM 166 OE2 GLU A 14 -6.092 11.967 -0.573 1.00 0.00 O ATOM 0 H GLU A 14 -3.205 10.680 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.265 10.644 2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.395 8.755 0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.722 8.660 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.577 9.831 1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.501 11.185 1.714 1.00 0.00 H new ATOM 173 N ILE A 15 -0.985 9.425 2.402 1.00 0.00 N ATOM 174 CA ILE A 15 0.130 8.528 2.680 1.00 0.00 C ATOM 175 C ILE A 15 0.050 7.976 4.099 1.00 0.00 C ATOM 176 O ILE A 15 -0.376 8.668 5.024 1.00 0.00 O ATOM 177 CB ILE A 15 1.484 9.239 2.494 1.00 0.00 C ATOM 178 CG1 ILE A 15 1.516 9.980 1.156 1.00 0.00 C ATOM 179 CG2 ILE A 15 2.624 8.237 2.579 1.00 0.00 C ATOM 180 CD1 ILE A 15 1.602 9.060 -0.042 1.00 0.00 C ATOM 0 H ILE A 15 -0.852 10.380 2.734 1.00 0.00 H new ATOM 0 HA ILE A 15 0.059 7.706 1.968 1.00 0.00 H new ATOM 0 HB ILE A 15 1.608 9.969 3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.620 10.594 1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.370 10.658 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.574 8.755 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.609 7.751 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.507 7.486 1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.621 9.654 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.512 8.463 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.735 8.399 -0.056 1.00 0.00 H new ATOM 192 N LYS A 16 0.463 6.724 4.265 1.00 0.00 N ATOM 193 CA LYS A 16 0.442 6.077 5.571 1.00 0.00 C ATOM 194 C LYS A 16 1.824 5.546 5.938 1.00 0.00 C ATOM 195 O LYS A 16 2.355 5.854 7.005 1.00 0.00 O ATOM 196 CB LYS A 16 -0.575 4.933 5.580 1.00 0.00 C ATOM 197 CG LYS A 16 -0.561 4.117 6.862 1.00 0.00 C ATOM 198 CD LYS A 16 -1.393 4.775 7.950 1.00 0.00 C ATOM 199 CE LYS A 16 -2.882 4.611 7.689 1.00 0.00 C ATOM 200 NZ LYS A 16 -3.357 3.241 8.026 1.00 0.00 N ATOM 0 H LYS A 16 0.817 6.137 3.510 1.00 0.00 H new ATOM 0 HA LYS A 16 0.150 6.821 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.573 5.344 5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.374 4.273 4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.946 3.117 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.466 4.000 7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.142 4.338 8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.147 5.835 8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.436 5.342 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.092 4.820 6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.390 3.195 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.909 2.552 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.104 3.018 9.010 1.00 0.00 H new ATOM 214 N VAL A 17 2.402 4.748 5.047 1.00 0.00 N ATOM 215 CA VAL A 17 3.724 4.176 5.276 1.00 0.00 C ATOM 216 C VAL A 17 3.686 3.130 6.384 1.00 0.00 C ATOM 217 O VAL A 17 4.446 3.205 7.349 1.00 0.00 O ATOM 218 CB VAL A 17 4.749 5.264 5.647 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.165 4.719 5.550 1.00 0.00 C ATOM 220 CG2 VAL A 17 4.576 6.485 4.756 1.00 0.00 C ATOM 0 H VAL A 17 1.976 4.482 4.159 1.00 0.00 H new ATOM 0 HA VAL A 17 4.030 3.702 4.343 1.00 0.00 H new ATOM 0 HB VAL A 17 4.573 5.568 6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.875 5.502 5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.279 3.878 6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.357 4.385 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.308 7.244 5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.724 6.199 3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.571 6.888 4.882 1.00 0.00 H new ATOM 230 N ARG A 18 2.796 2.154 6.238 1.00 0.00 N ATOM 231 CA ARG A 18 2.658 1.092 7.227 1.00 0.00 C ATOM 232 C ARG A 18 3.683 -0.012 6.987 1.00 0.00 C ATOM 233 O ARG A 18 3.390 -1.195 7.158 1.00 0.00 O ATOM 234 CB ARG A 18 1.244 0.507 7.186 1.00 0.00 C ATOM 235 CG ARG A 18 0.291 1.148 8.180 1.00 0.00 C ATOM 236 CD ARG A 18 0.698 0.851 9.615 1.00 0.00 C ATOM 237 NE ARG A 18 0.774 -0.584 9.875 1.00 0.00 N ATOM 238 CZ ARG A 18 0.843 -1.107 11.095 1.00 0.00 C ATOM 239 NH1 ARG A 18 0.845 -0.317 12.159 1.00 0.00 N ATOM 240 NH2 ARG A 18 0.910 -2.423 11.251 1.00 0.00 N ATOM 0 H ARG A 18 2.160 2.077 5.444 1.00 0.00 H new ATOM 0 HA ARG A 18 2.837 1.523 8.212 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.840 0.625 6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.297 -0.563 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.271 2.226 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.720 0.781 8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.666 1.309 9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.020 1.306 10.297 1.00 0.00 H new ATOM 0 HE ARG A 18 0.774 -1.219 9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.793 0.695 12.043 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.898 -0.721 13.094 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.909 -3.034 10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.963 -2.823 12.188 1.00 0.00 H new ATOM 254 N CYS A 19 4.888 0.384 6.589 1.00 0.00 N ATOM 255 CA CYS A 19 5.958 -0.571 6.324 1.00 0.00 C ATOM 256 C CYS A 19 6.490 -1.167 7.624 1.00 0.00 C ATOM 257 O CYS A 19 6.318 -0.592 8.699 1.00 0.00 O ATOM 258 CB CYS A 19 7.096 0.107 5.557 1.00 0.00 C ATOM 259 SG CYS A 19 8.405 -1.034 5.008 1.00 0.00 S ATOM 0 H CYS A 19 5.148 1.360 6.443 1.00 0.00 H new ATOM 0 HA CYS A 19 5.549 -1.378 5.716 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.681 0.614 4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.540 0.875 6.191 1.00 0.00 H new ATOM 264 N VAL A 20 7.136 -2.323 7.517 1.00 0.00 N ATOM 265 CA VAL A 20 7.695 -2.997 8.683 1.00 0.00 C ATOM 266 C VAL A 20 8.726 -2.120 9.383 1.00 0.00 C ATOM 267 O VAL A 20 9.032 -2.320 10.559 1.00 0.00 O ATOM 268 CB VAL A 20 8.353 -4.335 8.296 1.00 0.00 C ATOM 269 CG1 VAL A 20 7.294 -5.382 7.987 1.00 0.00 C ATOM 270 CG2 VAL A 20 9.289 -4.145 7.111 1.00 0.00 C ATOM 0 H VAL A 20 7.285 -2.813 6.635 1.00 0.00 H new ATOM 0 HA VAL A 20 6.866 -3.192 9.364 1.00 0.00 H new ATOM 0 HB VAL A 20 8.942 -4.688 9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.778 -6.320 7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.669 -5.537 8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.675 -5.040 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.745 -5.100 6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.724 -3.768 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.069 -3.430 7.374 1.00 0.00 H new ATOM 280 N CYS A 21 9.259 -1.146 8.654 1.00 0.00 N ATOM 281 CA CYS A 21 10.257 -0.236 9.204 1.00 0.00 C ATOM 282 C CYS A 21 9.677 0.572 10.362 1.00 0.00 C ATOM 283 O CYS A 21 10.413 1.159 11.153 1.00 0.00 O ATOM 284 CB CYS A 21 10.771 0.709 8.116 1.00 0.00 C ATOM 285 SG CYS A 21 11.822 -0.098 6.866 1.00 0.00 S ATOM 0 H CYS A 21 9.016 -0.966 7.680 1.00 0.00 H new ATOM 0 HA CYS A 21 11.088 -0.833 9.580 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.918 1.168 7.616 1.00 0.00 H new ATOM 0 HB3 CYS A 21 11.337 1.514 8.586 1.00 0.00 H new ATOM 290 N GLY A 22 8.351 0.596 10.453 1.00 0.00 N ATOM 291 CA GLY A 22 7.694 1.333 11.517 1.00 0.00 C ATOM 292 C GLY A 22 7.990 2.819 11.460 1.00 0.00 C ATOM 293 O GLY A 22 8.169 3.462 12.493 1.00 0.00 O ATOM 0 H GLY A 22 7.720 0.119 9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.617 1.177 11.452 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.015 0.938 12.481 1.00 0.00 H new ATOM 297 N ASN A 23 8.043 3.364 10.250 1.00 0.00 N ATOM 298 CA ASN A 23 8.321 4.784 10.062 1.00 0.00 C ATOM 299 C ASN A 23 7.231 5.446 9.226 1.00 0.00 C ATOM 300 O ASN A 23 6.385 4.770 8.642 1.00 0.00 O ATOM 301 CB ASN A 23 9.682 4.973 9.390 1.00 0.00 C ATOM 302 CG ASN A 23 10.351 6.273 9.792 1.00 0.00 C ATOM 303 OD1 ASN A 23 11.164 6.306 10.716 1.00 0.00 O ATOM 304 ND2 ASN A 23 10.009 7.353 9.099 1.00 0.00 N ATOM 0 H ASN A 23 7.897 2.845 9.384 1.00 0.00 H new ATOM 0 HA ASN A 23 8.339 5.259 11.043 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.332 4.138 9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.555 4.953 8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.425 8.257 9.325 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.331 7.279 8.341 1.00 0.00 H new ATOM 311 N SER A 24 7.259 6.774 9.172 1.00 0.00 N ATOM 312 CA SER A 24 6.272 7.529 8.410 1.00 0.00 C ATOM 313 C SER A 24 6.949 8.400 7.356 1.00 0.00 C ATOM 314 O SER A 24 6.543 9.539 7.120 1.00 0.00 O ATOM 315 CB SER A 24 5.431 8.401 9.345 1.00 0.00 C ATOM 316 OG SER A 24 6.255 9.232 10.144 1.00 0.00 O ATOM 0 H SER A 24 7.955 7.349 9.647 1.00 0.00 H new ATOM 0 HA SER A 24 5.619 6.818 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.749 9.016 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.818 7.767 9.986 1.00 0.00 H new ATOM 0 HG SER A 24 5.695 9.781 10.732 1.00 0.00 H new ATOM 322 N LEU A 25 7.984 7.857 6.725 1.00 0.00 N ATOM 323 CA LEU A 25 8.720 8.584 5.696 1.00 0.00 C ATOM 324 C LEU A 25 8.489 7.964 4.322 1.00 0.00 C ATOM 325 O LEU A 25 8.130 6.792 4.212 1.00 0.00 O ATOM 326 CB LEU A 25 10.215 8.592 6.020 1.00 0.00 C ATOM 327 CG LEU A 25 10.938 7.252 5.886 1.00 0.00 C ATOM 328 CD1 LEU A 25 11.460 7.066 4.469 1.00 0.00 C ATOM 329 CD2 LEU A 25 12.076 7.156 6.892 1.00 0.00 C ATOM 0 H LEU A 25 8.333 6.916 6.908 1.00 0.00 H new ATOM 0 HA LEU A 25 8.353 9.610 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.704 9.313 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.343 8.951 7.041 1.00 0.00 H new ATOM 0 HG LEU A 25 10.225 6.455 6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.972 6.107 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.626 7.089 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.157 7.869 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.579 6.195 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.788 7.961 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.677 7.242 7.902 1.00 0.00 H new ATOM 341 N GLU A 26 8.700 8.758 3.277 1.00 0.00 N ATOM 342 CA GLU A 26 8.516 8.286 1.910 1.00 0.00 C ATOM 343 C GLU A 26 9.847 8.250 1.163 1.00 0.00 C ATOM 344 O GLU A 26 10.673 9.153 1.297 1.00 0.00 O ATOM 345 CB GLU A 26 7.525 9.183 1.166 1.00 0.00 C ATOM 346 CG GLU A 26 6.189 9.331 1.873 1.00 0.00 C ATOM 347 CD GLU A 26 5.510 10.652 1.567 1.00 0.00 C ATOM 348 OE1 GLU A 26 5.047 10.829 0.420 1.00 0.00 O ATOM 349 OE2 GLU A 26 5.441 11.509 2.473 1.00 0.00 O ATOM 0 H GLU A 26 8.998 9.731 3.351 1.00 0.00 H new ATOM 0 HA GLU A 26 8.116 7.273 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.969 10.170 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.356 8.775 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.533 8.512 1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.340 9.245 2.949 1.00 0.00 H new ATOM 356 N THR A 27 10.048 7.198 0.374 1.00 0.00 N ATOM 357 CA THR A 27 11.277 7.042 -0.393 1.00 0.00 C ATOM 358 C THR A 27 11.050 7.362 -1.866 1.00 0.00 C ATOM 359 O THR A 27 9.918 7.588 -2.295 1.00 0.00 O ATOM 360 CB THR A 27 11.839 5.614 -0.269 1.00 0.00 C ATOM 361 OG1 THR A 27 10.973 4.688 -0.935 1.00 0.00 O ATOM 362 CG2 THR A 27 11.989 5.215 1.191 1.00 0.00 C ATOM 0 H THR A 27 9.375 6.442 0.250 1.00 0.00 H new ATOM 0 HA THR A 27 12.000 7.745 0.021 1.00 0.00 H new ATOM 0 HB THR A 27 12.823 5.593 -0.737 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.005 4.847 -1.901 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.388 4.202 1.252 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.671 5.904 1.688 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.016 5.252 1.680 1.00 0.00 H new ATOM 370 N ASP A 28 12.132 7.377 -2.636 1.00 0.00 N ATOM 371 CA ASP A 28 12.050 7.667 -4.063 1.00 0.00 C ATOM 372 C ASP A 28 10.874 6.934 -4.700 1.00 0.00 C ATOM 373 O ASP A 28 10.113 7.516 -5.474 1.00 0.00 O ATOM 374 CB ASP A 28 13.352 7.270 -4.761 1.00 0.00 C ATOM 375 CG ASP A 28 14.566 7.453 -3.871 1.00 0.00 C ATOM 376 OD1 ASP A 28 14.879 8.612 -3.525 1.00 0.00 O ATOM 377 OD2 ASP A 28 15.201 6.438 -3.519 1.00 0.00 O ATOM 0 H ASP A 28 13.076 7.192 -2.297 1.00 0.00 H new ATOM 0 HA ASP A 28 11.894 8.739 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.289 6.228 -5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.474 7.868 -5.664 1.00 0.00 H new ATOM 382 N SER A 29 10.731 5.655 -4.370 1.00 0.00 N ATOM 383 CA SER A 29 9.650 4.841 -4.914 1.00 0.00 C ATOM 384 C SER A 29 8.912 4.105 -3.800 1.00 0.00 C ATOM 385 O SER A 29 9.495 3.770 -2.770 1.00 0.00 O ATOM 386 CB SER A 29 10.200 3.836 -5.928 1.00 0.00 C ATOM 387 OG SER A 29 10.371 4.436 -7.200 1.00 0.00 O ATOM 0 H SER A 29 11.350 5.160 -3.728 1.00 0.00 H new ATOM 0 HA SER A 29 8.946 5.504 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.154 3.445 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.519 2.989 -6.011 1.00 0.00 H new ATOM 0 HG SER A 29 10.725 3.773 -7.829 1.00 0.00 H new ATOM 393 N MET A 30 7.624 3.856 -4.016 1.00 0.00 N ATOM 394 CA MET A 30 6.805 3.159 -3.032 1.00 0.00 C ATOM 395 C MET A 30 5.607 2.489 -3.697 1.00 0.00 C ATOM 396 O MET A 30 5.091 2.977 -4.703 1.00 0.00 O ATOM 397 CB MET A 30 6.326 4.133 -1.953 1.00 0.00 C ATOM 398 CG MET A 30 7.440 4.634 -1.048 1.00 0.00 C ATOM 399 SD MET A 30 6.830 5.672 0.294 1.00 0.00 S ATOM 400 CE MET A 30 6.416 4.433 1.519 1.00 0.00 C ATOM 0 H MET A 30 7.126 4.127 -4.864 1.00 0.00 H new ATOM 0 HA MET A 30 7.419 2.387 -2.568 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.847 4.987 -2.433 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.567 3.643 -1.344 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.974 3.781 -0.629 1.00 0.00 H new ATOM 0 HG3 MET A 30 8.159 5.199 -1.642 1.00 0.00 H new ATOM 0 HE1 MET A 30 5.523 4.743 2.063 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.227 3.481 1.024 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.245 4.320 2.217 1.00 0.00 H new ATOM 410 N ILE A 31 5.171 1.369 -3.130 1.00 0.00 N ATOM 411 CA ILE A 31 4.033 0.634 -3.669 1.00 0.00 C ATOM 412 C ILE A 31 2.856 0.655 -2.700 1.00 0.00 C ATOM 413 O ILE A 31 3.028 0.462 -1.497 1.00 0.00 O ATOM 414 CB ILE A 31 4.404 -0.828 -3.979 1.00 0.00 C ATOM 415 CG1 ILE A 31 4.946 -1.516 -2.724 1.00 0.00 C ATOM 416 CG2 ILE A 31 5.424 -0.889 -5.106 1.00 0.00 C ATOM 417 CD1 ILE A 31 5.456 -2.918 -2.976 1.00 0.00 C ATOM 0 H ILE A 31 5.588 0.951 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 31 3.745 1.131 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 31 3.506 -1.355 -4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.754 -0.913 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.158 -1.554 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.676 -1.929 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.004 -0.432 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.324 -0.350 -4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.825 -3.344 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.645 -3.536 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.266 -2.885 -3.705 1.00 0.00 H new ATOM 429 N GLN A 32 1.662 0.888 -3.233 1.00 0.00 N ATOM 430 CA GLN A 32 0.456 0.932 -2.415 1.00 0.00 C ATOM 431 C GLN A 32 -0.317 -0.380 -2.513 1.00 0.00 C ATOM 432 O GLN A 32 -0.441 -0.960 -3.591 1.00 0.00 O ATOM 433 CB GLN A 32 -0.437 2.097 -2.847 1.00 0.00 C ATOM 434 CG GLN A 32 -1.765 2.152 -2.109 1.00 0.00 C ATOM 435 CD GLN A 32 -2.563 3.399 -2.436 1.00 0.00 C ATOM 436 OE1 GLN A 32 -2.953 3.618 -3.583 1.00 0.00 O ATOM 437 NE2 GLN A 32 -2.810 4.225 -1.426 1.00 0.00 N ATOM 0 H GLN A 32 1.503 1.049 -4.228 1.00 0.00 H new ATOM 0 HA GLN A 32 0.757 1.079 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.098 3.033 -2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.629 2.020 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.354 1.271 -2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.582 2.114 -1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.467 4.004 -0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.342 5.080 -1.585 1.00 0.00 H new ATOM 446 N CYS A 33 -0.834 -0.841 -1.379 1.00 0.00 N ATOM 447 CA CYS A 33 -1.594 -2.085 -1.335 1.00 0.00 C ATOM 448 C CYS A 33 -2.835 -1.996 -2.220 1.00 0.00 C ATOM 449 O CYS A 33 -3.517 -0.972 -2.246 1.00 0.00 O ATOM 450 CB CYS A 33 -2.002 -2.407 0.104 1.00 0.00 C ATOM 451 SG CYS A 33 -2.381 -4.166 0.393 1.00 0.00 S ATOM 0 H CYS A 33 -0.741 -0.372 -0.478 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.957 -2.885 -1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.198 -2.105 0.775 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.876 -1.810 0.365 1.00 0.00 H new ATOM 456 N GLU A 34 -3.119 -3.075 -2.941 1.00 0.00 N ATOM 457 CA GLU A 34 -4.277 -3.118 -3.827 1.00 0.00 C ATOM 458 C GLU A 34 -5.568 -2.899 -3.044 1.00 0.00 C ATOM 459 O GLU A 34 -6.387 -2.051 -3.401 1.00 0.00 O ATOM 460 CB GLU A 34 -4.334 -4.458 -4.563 1.00 0.00 C ATOM 461 CG GLU A 34 -3.448 -4.513 -5.796 1.00 0.00 C ATOM 462 CD GLU A 34 -3.915 -3.576 -6.893 1.00 0.00 C ATOM 463 OE1 GLU A 34 -5.119 -3.246 -6.920 1.00 0.00 O ATOM 464 OE2 GLU A 34 -3.075 -3.172 -7.725 1.00 0.00 O ATOM 0 H GLU A 34 -2.564 -3.931 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.175 -2.315 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.038 -5.252 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.364 -4.658 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.426 -4.258 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.428 -5.533 -6.179 1.00 0.00 H new ATOM 471 N ASP A 35 -5.744 -3.670 -1.977 1.00 0.00 N ATOM 472 CA ASP A 35 -6.936 -3.561 -1.143 1.00 0.00 C ATOM 473 C ASP A 35 -7.397 -2.111 -1.041 1.00 0.00 C ATOM 474 O ASP A 35 -6.593 -1.186 -0.921 1.00 0.00 O ATOM 475 CB ASP A 35 -6.660 -4.122 0.253 1.00 0.00 C ATOM 476 CG ASP A 35 -7.918 -4.232 1.092 1.00 0.00 C ATOM 477 OD1 ASP A 35 -8.462 -3.179 1.485 1.00 0.00 O ATOM 478 OD2 ASP A 35 -8.358 -5.370 1.356 1.00 0.00 O ATOM 0 H ASP A 35 -5.077 -4.377 -1.669 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.731 -4.143 -1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.201 -5.106 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.941 -3.481 0.763 1.00 0.00 H new ATOM 483 N PRO A 36 -8.721 -1.906 -1.089 1.00 0.00 N ATOM 484 CA PRO A 36 -9.319 -0.570 -1.004 1.00 0.00 C ATOM 485 C PRO A 36 -9.177 0.041 0.386 1.00 0.00 C ATOM 486 O PRO A 36 -8.743 1.184 0.530 1.00 0.00 O ATOM 487 CB PRO A 36 -10.794 -0.820 -1.329 1.00 0.00 C ATOM 488 CG PRO A 36 -11.029 -2.243 -0.954 1.00 0.00 C ATOM 489 CD PRO A 36 -9.737 -2.962 -1.230 1.00 0.00 C ATOM 0 HA PRO A 36 -8.834 0.137 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.443 -0.150 -0.765 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.001 -0.650 -2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.307 -2.329 0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.846 -2.670 -1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.571 -3.776 -0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.726 -3.399 -2.228 1.00 0.00 H new ATOM 497 N ARG A 37 -9.544 -0.727 1.406 1.00 0.00 N ATOM 498 CA ARG A 37 -9.457 -0.261 2.784 1.00 0.00 C ATOM 499 C ARG A 37 -8.003 -0.048 3.196 1.00 0.00 C ATOM 500 O ARG A 37 -7.643 1.006 3.720 1.00 0.00 O ATOM 501 CB ARG A 37 -10.124 -1.263 3.728 1.00 0.00 C ATOM 502 CG ARG A 37 -11.584 -1.531 3.399 1.00 0.00 C ATOM 503 CD ARG A 37 -12.378 -1.893 4.645 1.00 0.00 C ATOM 504 NE ARG A 37 -13.815 -1.729 4.444 1.00 0.00 N ATOM 505 CZ ARG A 37 -14.567 -2.596 3.776 1.00 0.00 C ATOM 506 NH1 ARG A 37 -14.021 -3.682 3.246 1.00 0.00 N ATOM 507 NH2 ARG A 37 -15.868 -2.377 3.636 1.00 0.00 N ATOM 0 H ARG A 37 -9.905 -1.676 1.304 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.979 0.693 2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.574 -2.203 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.053 -0.890 4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.021 -0.649 2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.652 -2.342 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.166 -2.926 4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.054 -1.266 5.476 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.266 -0.903 4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.021 -3.853 3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.601 -4.346 2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.291 -1.542 4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.445 -3.043 3.123 1.00 0.00 H new ATOM 521 N CYS A 38 -7.172 -1.056 2.955 1.00 0.00 N ATOM 522 CA CYS A 38 -5.758 -0.981 3.301 1.00 0.00 C ATOM 523 C CYS A 38 -5.105 0.241 2.662 1.00 0.00 C ATOM 524 O CYS A 38 -4.750 1.199 3.348 1.00 0.00 O ATOM 525 CB CYS A 38 -5.034 -2.253 2.853 1.00 0.00 C ATOM 526 SG CYS A 38 -3.557 -2.655 3.842 1.00 0.00 S ATOM 0 H CYS A 38 -7.454 -1.935 2.521 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.679 -0.888 4.384 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.730 -3.091 2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.740 -2.143 1.809 1.00 0.00 H new ATOM 531 N HIS A 39 -4.951 0.200 1.342 1.00 0.00 N ATOM 532 CA HIS A 39 -4.342 1.304 0.609 1.00 0.00 C ATOM 533 C HIS A 39 -3.179 1.902 1.395 1.00 0.00 C ATOM 534 O HIS A 39 -3.110 3.115 1.595 1.00 0.00 O ATOM 535 CB HIS A 39 -5.383 2.385 0.315 1.00 0.00 C ATOM 536 CG HIS A 39 -6.192 2.118 -0.917 1.00 0.00 C ATOM 537 ND1 HIS A 39 -7.413 2.711 -1.159 1.00 0.00 N ATOM 538 CD2 HIS A 39 -5.947 1.318 -1.981 1.00 0.00 C ATOM 539 CE1 HIS A 39 -7.885 2.286 -2.318 1.00 0.00 C ATOM 540 NE2 HIS A 39 -7.014 1.439 -2.837 1.00 0.00 N ATOM 0 H HIS A 39 -5.239 -0.585 0.759 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.958 0.914 -0.334 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.055 2.473 1.169 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.878 3.345 0.207 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.074 0.699 -2.129 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.823 2.581 -2.765 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.117 0.954 -3.728 1.00 0.00 H new ATOM 549 N VAL A 40 -2.267 1.043 1.838 1.00 0.00 N ATOM 550 CA VAL A 40 -1.106 1.487 2.601 1.00 0.00 C ATOM 551 C VAL A 40 0.152 1.484 1.740 1.00 0.00 C ATOM 552 O VAL A 40 0.302 0.652 0.846 1.00 0.00 O ATOM 553 CB VAL A 40 -0.872 0.595 3.835 1.00 0.00 C ATOM 554 CG1 VAL A 40 -2.105 0.580 4.725 1.00 0.00 C ATOM 555 CG2 VAL A 40 -0.496 -0.816 3.408 1.00 0.00 C ATOM 0 H VAL A 40 -2.309 0.036 1.682 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.314 2.505 2.931 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.044 1.010 4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.921 -0.055 5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.325 1.594 5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.954 0.190 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.334 -1.433 4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.302 -1.242 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.418 -0.785 2.815 1.00 0.00 H new ATOM 565 N TRP A 41 1.052 2.420 2.016 1.00 0.00 N ATOM 566 CA TRP A 41 2.299 2.526 1.267 1.00 0.00 C ATOM 567 C TRP A 41 3.401 1.702 1.923 1.00 0.00 C ATOM 568 O TRP A 41 3.556 1.719 3.144 1.00 0.00 O ATOM 569 CB TRP A 41 2.733 3.990 1.162 1.00 0.00 C ATOM 570 CG TRP A 41 1.828 4.817 0.300 1.00 0.00 C ATOM 571 CD1 TRP A 41 0.746 5.543 0.707 1.00 0.00 C ATOM 572 CD2 TRP A 41 1.928 5.001 -1.117 1.00 0.00 C ATOM 573 NE1 TRP A 41 0.166 6.167 -0.371 1.00 0.00 N ATOM 574 CE2 TRP A 41 0.873 5.852 -1.501 1.00 0.00 C ATOM 575 CE3 TRP A 41 2.807 4.532 -2.097 1.00 0.00 C ATOM 576 CZ2 TRP A 41 0.675 6.240 -2.824 1.00 0.00 C ATOM 577 CZ3 TRP A 41 2.608 4.919 -3.409 1.00 0.00 C ATOM 578 CH2 TRP A 41 1.550 5.766 -3.763 1.00 0.00 C ATOM 0 H TRP A 41 0.942 3.117 2.753 1.00 0.00 H new ATOM 0 HA TRP A 41 2.126 2.133 0.265 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.768 4.424 2.161 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.745 4.034 0.760 1.00 0.00 H new ATOM 0 HD1 TRP A 41 0.397 5.616 1.726 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -0.658 6.768 -0.335 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.626 3.879 -1.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.141 6.892 -3.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.280 4.562 -4.175 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.422 6.050 -4.797 1.00 0.00 H new ATOM 589 N GLN A 42 4.163 0.983 1.106 1.00 0.00 N ATOM 590 CA GLN A 42 5.250 0.153 1.610 1.00 0.00 C ATOM 591 C GLN A 42 6.497 0.303 0.743 1.00 0.00 C ATOM 592 O GLN A 42 6.438 0.156 -0.478 1.00 0.00 O ATOM 593 CB GLN A 42 4.820 -1.315 1.655 1.00 0.00 C ATOM 594 CG GLN A 42 3.488 -1.537 2.353 1.00 0.00 C ATOM 595 CD GLN A 42 3.643 -1.789 3.840 1.00 0.00 C ATOM 596 OE1 GLN A 42 3.200 -0.992 4.666 1.00 0.00 O ATOM 597 NE2 GLN A 42 4.275 -2.904 4.189 1.00 0.00 N ATOM 0 H GLN A 42 4.048 0.958 0.093 1.00 0.00 H new ATOM 0 HA GLN A 42 5.489 0.486 2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.755 -1.697 0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.589 -1.895 2.165 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.852 -0.665 2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.979 -2.386 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.626 -3.537 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.409 -3.127 5.175 1.00 0.00 H new ATOM 606 N HIS A 43 7.624 0.596 1.383 1.00 0.00 N ATOM 607 CA HIS A 43 8.886 0.766 0.670 1.00 0.00 C ATOM 608 C HIS A 43 9.105 -0.370 -0.324 1.00 0.00 C ATOM 609 O HIS A 43 8.933 -1.543 0.010 1.00 0.00 O ATOM 610 CB HIS A 43 10.050 0.826 1.659 1.00 0.00 C ATOM 611 CG HIS A 43 10.050 2.058 2.511 1.00 0.00 C ATOM 612 ND1 HIS A 43 10.235 2.028 3.877 1.00 0.00 N ATOM 613 CD2 HIS A 43 9.886 3.361 2.183 1.00 0.00 C ATOM 614 CE1 HIS A 43 10.184 3.259 4.353 1.00 0.00 C ATOM 615 NE2 HIS A 43 9.974 4.087 3.345 1.00 0.00 N ATOM 0 H HIS A 43 7.690 0.721 2.393 1.00 0.00 H new ATOM 0 HA HIS A 43 8.840 1.705 0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.013 -0.052 2.304 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.988 0.776 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.717 3.756 1.192 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.295 3.541 5.390 1.00 0.00 H new ATOM 0 HE2 HIS A 43 9.891 5.101 3.418 1.00 0.00 H new ATOM 623 N VAL A 44 9.485 -0.015 -1.547 1.00 0.00 N ATOM 624 CA VAL A 44 9.728 -1.004 -2.590 1.00 0.00 C ATOM 625 C VAL A 44 10.908 -1.901 -2.232 1.00 0.00 C ATOM 626 O VAL A 44 10.842 -3.121 -2.381 1.00 0.00 O ATOM 627 CB VAL A 44 10.002 -0.332 -3.949 1.00 0.00 C ATOM 628 CG1 VAL A 44 8.709 -0.165 -4.732 1.00 0.00 C ATOM 629 CG2 VAL A 44 10.692 1.009 -3.750 1.00 0.00 C ATOM 0 H VAL A 44 9.631 0.951 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 44 8.825 -1.609 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 44 10.667 -0.975 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.922 0.311 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.260 -1.143 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.017 0.456 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.878 1.470 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.054 1.662 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.639 0.858 -3.233 1.00 0.00 H new ATOM 639 N GLY A 45 11.988 -1.288 -1.758 1.00 0.00 N ATOM 640 CA GLY A 45 13.168 -2.047 -1.385 1.00 0.00 C ATOM 641 C GLY A 45 13.058 -2.646 0.002 1.00 0.00 C ATOM 642 O GLY A 45 14.061 -2.817 0.695 1.00 0.00 O ATOM 0 H GLY A 45 12.067 -0.280 -1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.327 -2.845 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.042 -1.398 -1.429 1.00 0.00 H new ATOM 646 N CYS A 46 11.834 -2.965 0.412 1.00 0.00 N ATOM 647 CA CYS A 46 11.595 -3.547 1.727 1.00 0.00 C ATOM 648 C CYS A 46 10.813 -4.853 1.610 1.00 0.00 C ATOM 649 O CYS A 46 11.152 -5.850 2.247 1.00 0.00 O ATOM 650 CB CYS A 46 10.831 -2.560 2.613 1.00 0.00 C ATOM 651 SG CYS A 46 11.896 -1.369 3.488 1.00 0.00 S ATOM 0 H CYS A 46 10.992 -2.830 -0.148 1.00 0.00 H new ATOM 0 HA CYS A 46 12.561 -3.762 2.183 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.119 -2.010 1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.251 -3.120 3.347 1.00 0.00 H new ATOM 656 N VAL A 47 9.766 -4.838 0.791 1.00 0.00 N ATOM 657 CA VAL A 47 8.937 -6.020 0.589 1.00 0.00 C ATOM 658 C VAL A 47 9.201 -6.650 -0.774 1.00 0.00 C ATOM 659 O VAL A 47 9.167 -7.872 -0.921 1.00 0.00 O ATOM 660 CB VAL A 47 7.439 -5.682 0.705 1.00 0.00 C ATOM 661 CG1 VAL A 47 7.103 -5.221 2.115 1.00 0.00 C ATOM 662 CG2 VAL A 47 7.052 -4.623 -0.317 1.00 0.00 C ATOM 0 H VAL A 47 9.472 -4.020 0.257 1.00 0.00 H new ATOM 0 HA VAL A 47 9.203 -6.730 1.372 1.00 0.00 H new ATOM 0 HB VAL A 47 6.863 -6.584 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.040 -4.987 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.342 -6.014 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.685 -4.332 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.990 -4.396 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.634 -3.718 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.254 -4.995 -1.321 1.00 0.00 H new ATOM 672 N ILE A 48 9.465 -5.808 -1.767 1.00 0.00 N ATOM 673 CA ILE A 48 9.736 -6.282 -3.118 1.00 0.00 C ATOM 674 C ILE A 48 11.170 -6.787 -3.246 1.00 0.00 C ATOM 675 O ILE A 48 12.045 -6.406 -2.468 1.00 0.00 O ATOM 676 CB ILE A 48 9.499 -5.175 -4.162 1.00 0.00 C ATOM 677 CG1 ILE A 48 8.144 -4.504 -3.927 1.00 0.00 C ATOM 678 CG2 ILE A 48 9.574 -5.749 -5.569 1.00 0.00 C ATOM 679 CD1 ILE A 48 6.964 -5.395 -4.247 1.00 0.00 C ATOM 0 H ILE A 48 9.497 -4.794 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 48 9.045 -7.103 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 48 10.280 -4.422 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.079 -4.190 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.084 -3.602 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.404 -4.954 -6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.559 -6.185 -5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.812 -6.519 -5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.037 -4.854 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.004 -5.689 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.999 -6.285 -3.619 1.00 0.00 H new ATOM 691 N LEU A 49 11.403 -7.645 -4.233 1.00 0.00 N ATOM 692 CA LEU A 49 12.732 -8.201 -4.465 1.00 0.00 C ATOM 693 C LEU A 49 13.740 -7.096 -4.764 1.00 0.00 C ATOM 694 O LEU A 49 13.389 -6.007 -5.218 1.00 0.00 O ATOM 695 CB LEU A 49 12.693 -9.199 -5.624 1.00 0.00 C ATOM 696 CG LEU A 49 12.125 -10.581 -5.302 1.00 0.00 C ATOM 697 CD1 LEU A 49 12.637 -11.067 -3.955 1.00 0.00 C ATOM 698 CD2 LEU A 49 10.603 -10.549 -5.316 1.00 0.00 C ATOM 0 H LEU A 49 10.690 -7.971 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 49 13.046 -8.718 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.103 -8.765 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.707 -9.325 -6.003 1.00 0.00 H new ATOM 0 HG LEU A 49 12.461 -11.279 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.222 -12.052 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.725 -11.129 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.331 -10.369 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.216 -11.541 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.247 -9.838 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.255 -10.245 -6.303 1.00 0.00 H new ATOM 710 N PRO A 50 15.025 -7.381 -4.505 1.00 0.00 N ATOM 711 CA PRO A 50 16.111 -6.426 -4.740 1.00 0.00 C ATOM 712 C PRO A 50 16.362 -6.188 -6.226 1.00 0.00 C ATOM 713 O PRO A 50 16.954 -7.025 -6.907 1.00 0.00 O ATOM 714 CB PRO A 50 17.324 -7.101 -4.095 1.00 0.00 C ATOM 715 CG PRO A 50 17.007 -8.556 -4.124 1.00 0.00 C ATOM 716 CD PRO A 50 15.516 -8.659 -3.962 1.00 0.00 C ATOM 0 HA PRO A 50 15.885 -5.443 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 50 18.238 -6.884 -4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 50 17.477 -6.749 -3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 50 17.329 -9.007 -5.063 1.00 0.00 H new ATOM 0 HG3 PRO A 50 17.524 -9.084 -3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 50 15.110 -9.510 -4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 50 15.233 -8.787 -2.917 1.00 0.00 H new ATOM 724 N ASP A 51 15.908 -5.042 -6.721 1.00 0.00 N ATOM 725 CA ASP A 51 16.084 -4.693 -8.126 1.00 0.00 C ATOM 726 C ASP A 51 17.126 -3.590 -8.285 1.00 0.00 C ATOM 727 O ASP A 51 16.864 -2.558 -8.902 1.00 0.00 O ATOM 728 CB ASP A 51 14.754 -4.246 -8.734 1.00 0.00 C ATOM 729 CG ASP A 51 13.961 -5.404 -9.307 1.00 0.00 C ATOM 730 OD1 ASP A 51 14.441 -6.029 -10.276 1.00 0.00 O ATOM 731 OD2 ASP A 51 12.861 -5.685 -8.788 1.00 0.00 O ATOM 0 H ASP A 51 15.415 -4.339 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 51 16.435 -5.580 -8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.159 -3.745 -7.971 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.945 -3.516 -9.520 1.00 0.00 H new ATOM 736 N LYS A 52 18.309 -3.816 -7.724 1.00 0.00 N ATOM 737 CA LYS A 52 19.392 -2.843 -7.803 1.00 0.00 C ATOM 738 C LYS A 52 19.764 -2.559 -9.255 1.00 0.00 C ATOM 739 O LYS A 52 19.840 -1.410 -9.689 1.00 0.00 O ATOM 740 CB LYS A 52 20.619 -3.350 -7.041 1.00 0.00 C ATOM 741 CG LYS A 52 21.896 -2.601 -7.377 1.00 0.00 C ATOM 742 CD LYS A 52 23.126 -3.460 -7.134 1.00 0.00 C ATOM 743 CE LYS A 52 23.546 -4.201 -8.394 1.00 0.00 C ATOM 744 NZ LYS A 52 24.890 -4.827 -8.247 1.00 0.00 N ATOM 0 H LYS A 52 18.542 -4.665 -7.209 1.00 0.00 H new ATOM 0 HA LYS A 52 19.046 -1.915 -7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 52 20.431 -3.268 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 52 20.760 -4.408 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 52 21.871 -2.287 -8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 52 21.958 -1.696 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 52 23.947 -2.832 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 52 22.919 -4.178 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.810 -4.971 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 52 23.558 -3.509 -9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.140 -5.322 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.597 -4.090 -8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.872 -5.507 -7.460 1.00 0.00 H new ATOM 758 N PRO A 53 20.001 -3.631 -10.026 1.00 0.00 N ATOM 759 CA PRO A 53 20.367 -3.523 -11.442 1.00 0.00 C ATOM 760 C PRO A 53 19.208 -3.036 -12.304 1.00 0.00 C ATOM 761 O PRO A 53 19.389 -2.202 -13.191 1.00 0.00 O ATOM 762 CB PRO A 53 20.750 -4.956 -11.820 1.00 0.00 C ATOM 763 CG PRO A 53 20.004 -5.814 -10.858 1.00 0.00 C ATOM 764 CD PRO A 53 19.930 -5.031 -9.576 1.00 0.00 C ATOM 0 HA PRO A 53 21.165 -2.798 -11.603 1.00 0.00 H new ATOM 0 HB2 PRO A 53 20.472 -5.182 -12.850 1.00 0.00 H new ATOM 0 HB3 PRO A 53 21.826 -5.113 -11.739 1.00 0.00 H new ATOM 0 HG2 PRO A 53 19.007 -6.044 -11.233 1.00 0.00 H new ATOM 0 HG3 PRO A 53 20.515 -6.765 -10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 53 19.005 -5.233 -9.035 1.00 0.00 H new ATOM 0 HD3 PRO A 53 20.753 -5.280 -8.905 1.00 0.00 H new ATOM 772 N MET A 54 18.016 -3.562 -12.038 1.00 0.00 N ATOM 773 CA MET A 54 16.827 -3.179 -12.790 1.00 0.00 C ATOM 774 C MET A 54 16.544 -1.688 -12.638 1.00 0.00 C ATOM 775 O MET A 54 15.902 -1.263 -11.677 1.00 0.00 O ATOM 776 CB MET A 54 15.618 -3.990 -12.320 1.00 0.00 C ATOM 777 CG MET A 54 15.418 -5.285 -13.091 1.00 0.00 C ATOM 778 SD MET A 54 16.536 -6.593 -12.553 1.00 0.00 S ATOM 779 CE MET A 54 16.953 -7.349 -14.122 1.00 0.00 C ATOM 0 H MET A 54 17.849 -4.254 -11.308 1.00 0.00 H new ATOM 0 HA MET A 54 17.010 -3.390 -13.844 1.00 0.00 H new ATOM 0 HB2 MET A 54 15.735 -4.221 -11.261 1.00 0.00 H new ATOM 0 HB3 MET A 54 14.721 -3.378 -12.415 1.00 0.00 H new ATOM 0 HG2 MET A 54 14.388 -5.620 -12.970 1.00 0.00 H new ATOM 0 HG3 MET A 54 15.569 -5.098 -14.154 1.00 0.00 H new ATOM 0 HE1 MET A 54 17.641 -8.178 -13.955 1.00 0.00 H new ATOM 0 HE2 MET A 54 16.046 -7.720 -14.600 1.00 0.00 H new ATOM 0 HE3 MET A 54 17.427 -6.609 -14.768 1.00 0.00 H new ATOM 789 N ASP A 55 17.028 -0.898 -13.590 1.00 0.00 N ATOM 790 CA ASP A 55 16.826 0.546 -13.562 1.00 0.00 C ATOM 791 C ASP A 55 15.346 0.885 -13.418 1.00 0.00 C ATOM 792 O ASP A 55 14.970 1.738 -12.615 1.00 0.00 O ATOM 793 CB ASP A 55 17.387 1.185 -14.833 1.00 0.00 C ATOM 794 CG ASP A 55 17.389 2.700 -14.767 1.00 0.00 C ATOM 795 OD1 ASP A 55 18.074 3.255 -13.882 1.00 0.00 O ATOM 796 OD2 ASP A 55 16.705 3.330 -15.600 1.00 0.00 O ATOM 0 H ASP A 55 17.563 -1.233 -14.391 1.00 0.00 H new ATOM 0 HA ASP A 55 17.357 0.946 -12.698 1.00 0.00 H new ATOM 0 HB2 ASP A 55 18.405 0.830 -14.996 1.00 0.00 H new ATOM 0 HB3 ASP A 55 16.796 0.862 -15.690 1.00 0.00 H new ATOM 801 N GLY A 56 14.510 0.212 -14.202 1.00 0.00 N ATOM 802 CA GLY A 56 13.081 0.457 -14.148 1.00 0.00 C ATOM 803 C GLY A 56 12.268 -0.804 -14.366 1.00 0.00 C ATOM 804 O GLY A 56 12.044 -1.575 -13.435 1.00 0.00 O ATOM 0 H GLY A 56 14.797 -0.499 -14.874 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.826 0.887 -13.180 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.813 1.194 -14.905 1.00 0.00 H new ATOM 808 N ASN A 57 11.823 -1.012 -15.601 1.00 0.00 N ATOM 809 CA ASN A 57 11.028 -2.187 -15.939 1.00 0.00 C ATOM 810 C ASN A 57 11.789 -3.470 -15.620 1.00 0.00 C ATOM 811 O ASN A 57 13.019 -3.517 -15.659 1.00 0.00 O ATOM 812 CB ASN A 57 10.646 -2.162 -17.421 1.00 0.00 C ATOM 813 CG ASN A 57 11.859 -2.213 -18.330 1.00 0.00 C ATOM 814 OD1 ASN A 57 12.877 -1.576 -18.062 1.00 0.00 O ATOM 815 ND2 ASN A 57 11.753 -2.974 -19.414 1.00 0.00 N ATOM 0 H ASN A 57 11.999 -0.382 -16.384 1.00 0.00 H new ATOM 0 HA ASN A 57 10.120 -2.165 -15.336 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.995 -3.008 -17.640 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.075 -1.258 -17.631 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.536 -3.047 -20.064 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.889 -3.485 -19.596 1.00 0.00 H new ATOM 822 N PRO A 58 11.043 -4.536 -15.297 1.00 0.00 N ATOM 823 CA PRO A 58 9.579 -4.492 -15.247 1.00 0.00 C ATOM 824 C PRO A 58 9.064 -3.656 -14.081 1.00 0.00 C ATOM 825 O PRO A 58 9.637 -3.647 -12.991 1.00 0.00 O ATOM 826 CB PRO A 58 9.185 -5.960 -15.068 1.00 0.00 C ATOM 827 CG PRO A 58 10.368 -6.593 -14.420 1.00 0.00 C ATOM 828 CD PRO A 58 11.571 -5.868 -14.956 1.00 0.00 C ATOM 0 HA PRO A 58 9.155 -4.029 -16.138 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.294 -6.058 -14.448 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.960 -6.429 -16.026 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.312 -6.506 -13.335 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.418 -7.657 -14.653 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.367 -5.807 -14.214 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.987 -6.371 -15.829 1.00 0.00 H new ATOM 836 N PRO A 59 7.955 -2.936 -14.311 1.00 0.00 N ATOM 837 CA PRO A 59 7.338 -2.084 -13.290 1.00 0.00 C ATOM 838 C PRO A 59 6.697 -2.895 -12.169 1.00 0.00 C ATOM 839 O PRO A 59 6.649 -4.124 -12.227 1.00 0.00 O ATOM 840 CB PRO A 59 6.271 -1.312 -14.070 1.00 0.00 C ATOM 841 CG PRO A 59 5.944 -2.187 -15.231 1.00 0.00 C ATOM 842 CD PRO A 59 7.219 -2.899 -15.586 1.00 0.00 C ATOM 0 HA PRO A 59 8.069 -1.445 -12.795 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.390 -1.123 -13.456 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.645 -0.342 -14.398 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.159 -2.898 -14.975 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.579 -1.598 -16.072 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.026 -3.901 -15.968 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.776 -2.366 -16.356 1.00 0.00 H new ATOM 850 N LEU A 60 6.204 -2.199 -11.150 1.00 0.00 N ATOM 851 CA LEU A 60 5.564 -2.855 -10.015 1.00 0.00 C ATOM 852 C LEU A 60 4.691 -4.017 -10.479 1.00 0.00 C ATOM 853 O LEU A 60 4.211 -4.051 -11.612 1.00 0.00 O ATOM 854 CB LEU A 60 4.720 -1.850 -9.230 1.00 0.00 C ATOM 855 CG LEU A 60 3.718 -1.032 -10.046 1.00 0.00 C ATOM 856 CD1 LEU A 60 2.507 -0.673 -9.199 1.00 0.00 C ATOM 857 CD2 LEU A 60 4.378 0.225 -10.595 1.00 0.00 C ATOM 0 H LEU A 60 6.235 -1.181 -11.087 1.00 0.00 H new ATOM 0 HA LEU A 60 6.346 -3.249 -9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.173 -2.390 -8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.393 -1.160 -8.721 1.00 0.00 H new ATOM 0 HG LEU A 60 3.381 -1.639 -10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.805 -0.091 -9.796 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.021 -1.586 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.826 -0.085 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.651 0.795 -11.173 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.743 0.835 -9.769 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.214 -0.054 -11.237 1.00 0.00 H new ATOM 869 N PRO A 61 4.477 -4.991 -9.582 1.00 0.00 N ATOM 870 CA PRO A 61 3.658 -6.171 -9.875 1.00 0.00 C ATOM 871 C PRO A 61 2.178 -5.831 -10.005 1.00 0.00 C ATOM 872 O PRO A 61 1.662 -4.977 -9.285 1.00 0.00 O ATOM 873 CB PRO A 61 3.895 -7.077 -8.664 1.00 0.00 C ATOM 874 CG PRO A 61 4.270 -6.146 -7.563 1.00 0.00 C ATOM 875 CD PRO A 61 5.018 -5.015 -8.212 1.00 0.00 C ATOM 0 HA PRO A 61 3.929 -6.629 -10.826 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.000 -7.646 -8.414 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.688 -7.799 -8.859 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.385 -5.780 -7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.890 -6.649 -6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.846 -4.071 -7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.094 -5.190 -8.208 1.00 0.00 H new ATOM 883 N GLU A 62 1.499 -6.507 -10.928 1.00 0.00 N ATOM 884 CA GLU A 62 0.077 -6.275 -11.151 1.00 0.00 C ATOM 885 C GLU A 62 -0.652 -6.049 -9.829 1.00 0.00 C ATOM 886 O GLU A 62 -1.469 -5.137 -9.706 1.00 0.00 O ATOM 887 CB GLU A 62 -0.546 -7.459 -11.893 1.00 0.00 C ATOM 888 CG GLU A 62 0.008 -7.658 -13.294 1.00 0.00 C ATOM 889 CD GLU A 62 1.337 -8.388 -13.298 1.00 0.00 C ATOM 890 OE1 GLU A 62 2.383 -7.717 -13.185 1.00 0.00 O ATOM 891 OE2 GLU A 62 1.329 -9.632 -13.415 1.00 0.00 O ATOM 0 H GLU A 62 1.911 -7.218 -11.532 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.026 -5.378 -11.761 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.381 -8.368 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.624 -7.312 -11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.712 -8.219 -13.889 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.130 -6.687 -13.774 1.00 0.00 H new ATOM 898 N SER A 63 -0.350 -6.888 -8.843 1.00 0.00 N ATOM 899 CA SER A 63 -0.979 -6.784 -7.531 1.00 0.00 C ATOM 900 C SER A 63 0.034 -7.050 -6.421 1.00 0.00 C ATOM 901 O SER A 63 0.856 -7.960 -6.521 1.00 0.00 O ATOM 902 CB SER A 63 -2.144 -7.768 -7.421 1.00 0.00 C ATOM 903 OG SER A 63 -1.687 -9.108 -7.481 1.00 0.00 O ATOM 0 H SER A 63 0.326 -7.647 -8.928 1.00 0.00 H new ATOM 0 HA SER A 63 -1.359 -5.769 -7.417 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.676 -7.603 -6.484 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.855 -7.586 -8.227 1.00 0.00 H new ATOM 0 HG SER A 63 -2.451 -9.718 -7.407 1.00 0.00 H new ATOM 909 N PHE A 64 -0.033 -6.248 -5.363 1.00 0.00 N ATOM 910 CA PHE A 64 0.877 -6.395 -4.234 1.00 0.00 C ATOM 911 C PHE A 64 0.127 -6.268 -2.911 1.00 0.00 C ATOM 912 O PHE A 64 -0.445 -5.221 -2.608 1.00 0.00 O ATOM 913 CB PHE A 64 1.988 -5.346 -4.307 1.00 0.00 C ATOM 914 CG PHE A 64 2.614 -5.042 -2.976 1.00 0.00 C ATOM 915 CD1 PHE A 64 3.532 -5.914 -2.413 1.00 0.00 C ATOM 916 CD2 PHE A 64 2.285 -3.886 -2.288 1.00 0.00 C ATOM 917 CE1 PHE A 64 4.111 -5.638 -1.188 1.00 0.00 C ATOM 918 CE2 PHE A 64 2.861 -3.604 -1.063 1.00 0.00 C ATOM 919 CZ PHE A 64 3.774 -4.482 -0.512 1.00 0.00 C ATOM 0 H PHE A 64 -0.708 -5.490 -5.265 1.00 0.00 H new ATOM 0 HA PHE A 64 1.322 -7.389 -4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.761 -5.694 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.581 -4.426 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.798 -6.820 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.570 -3.197 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.826 -6.326 -0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.597 -2.698 -0.537 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.223 -4.265 0.446 1.00 0.00 H new ATOM 929 N TYR A 65 0.135 -7.341 -2.128 1.00 0.00 N ATOM 930 CA TYR A 65 -0.546 -7.351 -0.839 1.00 0.00 C ATOM 931 C TYR A 65 0.457 -7.282 0.308 1.00 0.00 C ATOM 932 O TYR A 65 1.287 -8.176 0.478 1.00 0.00 O ATOM 933 CB TYR A 65 -1.407 -8.609 -0.703 1.00 0.00 C ATOM 934 CG TYR A 65 -2.704 -8.541 -1.479 1.00 0.00 C ATOM 935 CD1 TYR A 65 -3.627 -7.531 -1.240 1.00 0.00 C ATOM 936 CD2 TYR A 65 -3.006 -9.489 -2.449 1.00 0.00 C ATOM 937 CE1 TYR A 65 -4.813 -7.465 -1.945 1.00 0.00 C ATOM 938 CE2 TYR A 65 -4.189 -9.430 -3.160 1.00 0.00 C ATOM 939 CZ TYR A 65 -5.089 -8.417 -2.904 1.00 0.00 C ATOM 940 OH TYR A 65 -6.269 -8.357 -3.609 1.00 0.00 O ATOM 0 H TYR A 65 0.605 -8.215 -2.363 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.188 -6.472 -0.790 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.833 -9.471 -1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.632 -8.773 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.414 -6.784 -0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.304 -10.285 -2.650 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.520 -6.673 -1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.408 -10.173 -3.912 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.307 -9.100 -4.246 1.00 0.00 H new ATOM 950 N CYS A 66 0.374 -6.214 1.094 1.00 0.00 N ATOM 951 CA CYS A 66 1.273 -6.026 2.226 1.00 0.00 C ATOM 952 C CYS A 66 1.358 -7.294 3.070 1.00 0.00 C ATOM 953 O CYS A 66 0.656 -8.271 2.812 1.00 0.00 O ATOM 954 CB CYS A 66 0.800 -4.855 3.091 1.00 0.00 C ATOM 955 SG CYS A 66 -0.799 -5.138 3.915 1.00 0.00 S ATOM 0 H CYS A 66 -0.307 -5.465 0.968 1.00 0.00 H new ATOM 0 HA CYS A 66 2.266 -5.803 1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.556 -4.649 3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.723 -3.964 2.467 1.00 0.00 H new ATOM 960 N GLU A 67 2.223 -7.269 4.080 1.00 0.00 N ATOM 961 CA GLU A 67 2.400 -8.417 4.962 1.00 0.00 C ATOM 962 C GLU A 67 1.173 -8.618 5.847 1.00 0.00 C ATOM 963 O GLU A 67 1.027 -9.653 6.498 1.00 0.00 O ATOM 964 CB GLU A 67 3.645 -8.234 5.831 1.00 0.00 C ATOM 965 CG GLU A 67 3.587 -7.007 6.726 1.00 0.00 C ATOM 966 CD GLU A 67 2.954 -7.296 8.073 1.00 0.00 C ATOM 967 OE1 GLU A 67 2.327 -8.366 8.217 1.00 0.00 O ATOM 968 OE2 GLU A 67 3.087 -6.452 8.984 1.00 0.00 O ATOM 0 H GLU A 67 2.811 -6.467 4.307 1.00 0.00 H new ATOM 0 HA GLU A 67 2.527 -9.303 4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.778 -9.120 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.521 -8.162 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.596 -6.625 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.021 -6.222 6.224 1.00 0.00 H new ATOM 975 N ILE A 68 0.295 -7.621 5.865 1.00 0.00 N ATOM 976 CA ILE A 68 -0.919 -7.688 6.669 1.00 0.00 C ATOM 977 C ILE A 68 -2.079 -8.267 5.866 1.00 0.00 C ATOM 978 O ILE A 68 -2.991 -8.879 6.424 1.00 0.00 O ATOM 979 CB ILE A 68 -1.321 -6.298 7.199 1.00 0.00 C ATOM 980 CG1 ILE A 68 -0.159 -5.667 7.969 1.00 0.00 C ATOM 981 CG2 ILE A 68 -2.554 -6.405 8.084 1.00 0.00 C ATOM 982 CD1 ILE A 68 -0.135 -4.157 7.895 1.00 0.00 C ATOM 0 H ILE A 68 0.401 -6.758 5.332 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.702 -8.342 7.514 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.561 -5.657 6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.219 -5.971 9.014 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.780 -6.057 7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.826 -5.415 8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.381 -6.818 7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.339 -7.059 8.929 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.715 -3.778 8.463 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.044 -3.845 6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.059 -3.757 8.314 1.00 0.00 H new ATOM 994 N CYS A 69 -2.038 -8.072 4.552 1.00 0.00 N ATOM 995 CA CYS A 69 -3.084 -8.577 3.671 1.00 0.00 C ATOM 996 C CYS A 69 -2.846 -10.045 3.329 1.00 0.00 C ATOM 997 O CYS A 69 -3.789 -10.831 3.233 1.00 0.00 O ATOM 998 CB CYS A 69 -3.143 -7.745 2.388 1.00 0.00 C ATOM 999 SG CYS A 69 -4.186 -6.257 2.513 1.00 0.00 S ATOM 0 H CYS A 69 -1.291 -7.568 4.074 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.037 -8.495 4.194 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.131 -7.444 2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.518 -8.371 1.579 1.00 0.00 H new ATOM 1004 N ARG A 70 -1.581 -10.406 3.146 1.00 0.00 N ATOM 1005 CA ARG A 70 -1.219 -11.779 2.814 1.00 0.00 C ATOM 1006 C ARG A 70 -1.674 -12.741 3.907 1.00 0.00 C ATOM 1007 O ARG A 70 -2.009 -13.895 3.633 1.00 0.00 O ATOM 1008 CB ARG A 70 0.294 -11.896 2.614 1.00 0.00 C ATOM 1009 CG ARG A 70 1.101 -11.531 3.849 1.00 0.00 C ATOM 1010 CD ARG A 70 2.595 -11.651 3.594 1.00 0.00 C ATOM 1011 NE ARG A 70 3.372 -11.542 4.826 1.00 0.00 N ATOM 1012 CZ ARG A 70 3.365 -12.462 5.783 1.00 0.00 C ATOM 1013 NH1 ARG A 70 2.626 -13.555 5.650 1.00 0.00 N ATOM 1014 NH2 ARG A 70 4.099 -12.291 6.875 1.00 0.00 N ATOM 0 H ARG A 70 -0.789 -9.767 3.222 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.723 -12.047 1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.535 -12.918 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.594 -11.249 1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.863 -10.511 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.818 -12.183 4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.805 -12.608 3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.908 -10.872 2.898 1.00 0.00 H new ATOM 0 HE ARG A 70 3.952 -10.713 4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.062 -13.690 4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.622 -14.261 6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.669 -11.452 6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.093 -12.999 7.610 1.00 0.00 H new ATOM 1028 N LEU A 71 -1.684 -12.260 5.145 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.098 -13.077 6.280 1.00 0.00 C ATOM 1030 C LEU A 71 -3.617 -13.205 6.334 1.00 0.00 C ATOM 1031 O LEU A 71 -4.151 -14.179 6.866 1.00 0.00 O ATOM 1032 CB LEU A 71 -1.579 -12.472 7.586 1.00 0.00 C ATOM 1033 CG LEU A 71 -2.501 -11.461 8.270 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -3.433 -12.163 9.244 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -1.685 -10.394 8.984 1.00 0.00 C ATOM 0 H LEU A 71 -1.410 -11.308 5.388 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.672 -14.072 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.380 -13.284 8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.625 -11.985 7.384 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.107 -10.975 7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.081 -11.428 9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.042 -12.889 8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.845 -12.676 10.005 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.357 -9.683 9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.053 -10.863 9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.060 -9.870 8.261 1.00 0.00 H new ATOM 1047 N THR A 72 -4.309 -12.215 5.777 1.00 0.00 N ATOM 1048 CA THR A 72 -5.767 -12.217 5.761 1.00 0.00 C ATOM 1049 C THR A 72 -6.300 -12.468 4.355 1.00 0.00 C ATOM 1050 O THR A 72 -5.536 -12.752 3.432 1.00 0.00 O ATOM 1051 CB THR A 72 -6.336 -10.885 6.284 1.00 0.00 C ATOM 1052 OG1 THR A 72 -5.871 -9.801 5.472 1.00 0.00 O ATOM 1053 CG2 THR A 72 -5.928 -10.653 7.731 1.00 0.00 C ATOM 0 H THR A 72 -3.883 -11.402 5.331 1.00 0.00 H new ATOM 0 HA THR A 72 -6.090 -13.024 6.419 1.00 0.00 H new ATOM 0 HB THR A 72 -7.424 -10.935 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.018 -9.471 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.342 -9.706 8.078 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.309 -11.465 8.351 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.841 -10.622 7.802 1.00 0.00 H new ATOM 1061 N SER A 73 -7.616 -12.361 4.198 1.00 0.00 N ATOM 1062 CA SER A 73 -8.252 -12.579 2.904 1.00 0.00 C ATOM 1063 C SER A 73 -7.554 -11.772 1.813 1.00 0.00 C ATOM 1064 O SER A 73 -7.633 -10.545 1.787 1.00 0.00 O ATOM 1065 CB SER A 73 -9.732 -12.198 2.969 1.00 0.00 C ATOM 1066 OG SER A 73 -10.490 -12.935 2.027 1.00 0.00 O ATOM 0 H SER A 73 -8.262 -12.125 4.951 1.00 0.00 H new ATOM 0 HA SER A 73 -8.168 -13.638 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.115 -12.383 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.845 -11.131 2.776 1.00 0.00 H new ATOM 0 HG SER A 73 -11.433 -12.674 2.090 1.00 0.00 H new ATOM 1072 N GLY A 74 -6.871 -12.473 0.913 1.00 0.00 N ATOM 1073 CA GLY A 74 -6.169 -11.806 -0.168 1.00 0.00 C ATOM 1074 C GLY A 74 -5.629 -12.781 -1.197 1.00 0.00 C ATOM 1075 O GLY A 74 -4.437 -13.085 -1.229 1.00 0.00 O ATOM 0 H GLY A 74 -6.791 -13.490 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.844 -11.103 -0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.345 -11.223 0.243 1.00 0.00 H new ATOM 1079 N PRO A 75 -6.521 -13.289 -2.061 1.00 0.00 N ATOM 1080 CA PRO A 75 -6.151 -14.243 -3.110 1.00 0.00 C ATOM 1081 C PRO A 75 -5.307 -13.601 -4.206 1.00 0.00 C ATOM 1082 O PRO A 75 -5.614 -12.506 -4.677 1.00 0.00 O ATOM 1083 CB PRO A 75 -7.501 -14.696 -3.670 1.00 0.00 C ATOM 1084 CG PRO A 75 -8.430 -13.569 -3.376 1.00 0.00 C ATOM 1085 CD PRO A 75 -7.958 -12.971 -2.080 1.00 0.00 C ATOM 0 HA PRO A 75 -5.540 -15.058 -2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.440 -14.890 -4.741 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -7.836 -15.619 -3.197 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.412 -12.829 -4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.458 -13.922 -3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.132 -11.895 -2.047 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.477 -13.404 -1.225 1.00 0.00 H new ATOM 1093 N SER A 76 -4.244 -14.290 -4.608 1.00 0.00 N ATOM 1094 CA SER A 76 -3.354 -13.784 -5.647 1.00 0.00 C ATOM 1095 C SER A 76 -4.152 -13.185 -6.801 1.00 0.00 C ATOM 1096 O SER A 76 -3.933 -12.038 -7.191 1.00 0.00 O ATOM 1097 CB SER A 76 -2.451 -14.906 -6.165 1.00 0.00 C ATOM 1098 OG SER A 76 -1.279 -14.381 -6.765 1.00 0.00 O ATOM 0 H SER A 76 -3.978 -15.199 -4.231 1.00 0.00 H new ATOM 0 HA SER A 76 -2.735 -13.000 -5.211 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.178 -15.566 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.996 -15.510 -6.891 1.00 0.00 H new ATOM 0 HG SER A 76 -0.718 -15.117 -7.086 1.00 0.00 H new ATOM 1104 N SER A 77 -5.077 -13.969 -7.343 1.00 0.00 N ATOM 1105 CA SER A 77 -5.906 -13.519 -8.455 1.00 0.00 C ATOM 1106 C SER A 77 -5.053 -12.867 -9.539 1.00 0.00 C ATOM 1107 O SER A 77 -5.417 -11.830 -10.091 1.00 0.00 O ATOM 1108 CB SER A 77 -6.966 -12.531 -7.962 1.00 0.00 C ATOM 1109 OG SER A 77 -8.053 -13.210 -7.358 1.00 0.00 O ATOM 0 H SER A 77 -5.272 -14.920 -7.030 1.00 0.00 H new ATOM 0 HA SER A 77 -6.402 -14.391 -8.882 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.520 -11.842 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.327 -11.932 -8.798 1.00 0.00 H new ATOM 0 HG SER A 77 -8.716 -12.557 -7.050 1.00 0.00 H new ATOM 1115 N GLY A 78 -3.914 -13.485 -9.838 1.00 0.00 N ATOM 1116 CA GLY A 78 -3.026 -12.951 -10.854 1.00 0.00 C ATOM 1117 C GLY A 78 -2.040 -13.985 -11.363 1.00 0.00 C ATOM 1118 O GLY A 78 -2.088 -14.329 -12.543 1.00 0.00 O ATOM 0 H GLY A 78 -3.591 -14.345 -9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.618 -12.576 -11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.479 -12.102 -10.444 1.00 0.00 H new TER 1122 GLY A 78 HETATM 1123 ZN ZN A 201 10.526 -0.076 4.915 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -2.661 -4.468 2.687 1.00 0.00 ZN