USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 634 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 41 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 42 GLN : amide:sc= -13.8! C(o=-14!,f=-22!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -33.5! C(o=-33!,f=-41!) USER MOD Single : A 9 THR OG1 : rot -71:sc= 1.2 USER MOD Single : A 10 SER OG : rot -14:sc= 0.547! USER MOD Single : A 12 SER OG : rot 180:sc= -0.0527 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 63:sc= -0.906 USER MOD Single : A 21 THR OG1 : rot -25:sc= 1.1 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 77:sc= 0.0605 USER MOD Single : A 28 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.27) USER MOD Single : A 30 ASN : amide:sc= -9.45! C(o=-9.4!,f=-7.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0999 USER MOD Single : A 33 ASN : amide:sc= -0.0777 K(o=-0.078,f=-0.58) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.038) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 43:sc= -5.58! USER MOD Single : A 44 THR OG1 : rot 112:sc= -0.84 USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= -3.62 (180deg=-3.73) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.77! K(o=-1.8!,f=-2.8) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.011 USER MOD Single : A 58 ASN : amide:sc= -6.49! C(o=-6.5!,f=-2.6!) USER MOD Single : A 59 THR OG1 : rot 99:sc= 1.24 USER MOD Single : A 63 ASN : amide:sc= -6.84! C(o=-6.8!,f=-3.7!) USER MOD Single : A 64 THR OG1 : rot -72:sc= 0.904 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 66 LYS NZ :NH3+ -147:sc= -5.8! (180deg=-6.49!) USER MOD Single : A 67 THR OG1 : rot 66:sc= -4! USER MOD Single : A 69 THR OG1 : rot 69:sc= -1.48 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -7.86! C(o=-7.9!,f=-9.4!) USER MOD Single : A 80 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.466) USER MOD Single : A 82 THR OG1 : rot -68:sc= 1.16 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.162 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.313 17.315 -6.014 1.00 0.00 N ATOM 38 CA ASP A 3 -7.276 16.226 -6.055 1.00 0.00 C ATOM 39 C ASP A 3 -6.599 14.918 -6.456 1.00 0.00 C ATOM 40 O ASP A 3 -6.923 14.331 -7.488 1.00 0.00 O ATOM 41 CB ASP A 3 -8.406 16.553 -7.027 1.00 0.00 C ATOM 42 CG ASP A 3 -9.755 16.636 -6.342 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.851 17.315 -5.298 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.714 16.015 -6.846 1.00 0.00 O ATOM 0 HA ASP A 3 -7.695 16.104 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.194 17.502 -7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.444 15.791 -7.805 1.00 0.00 H new ATOM 49 N PRO A 4 -5.646 14.442 -5.636 1.00 0.00 N ATOM 50 CA PRO A 4 -4.926 13.196 -5.906 1.00 0.00 C ATOM 51 C PRO A 4 -5.853 11.990 -5.851 1.00 0.00 C ATOM 52 O PRO A 4 -6.599 11.816 -4.886 1.00 0.00 O ATOM 53 CB PRO A 4 -3.886 13.126 -4.784 1.00 0.00 C ATOM 54 CG PRO A 4 -4.438 13.984 -3.697 1.00 0.00 C ATOM 55 CD PRO A 4 -5.204 15.077 -4.384 1.00 0.00 C ATOM 0 HA PRO A 4 -4.485 13.182 -6.903 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.741 12.101 -4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.916 13.490 -5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.086 13.408 -3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.639 14.395 -3.080 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.049 15.415 -3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.578 15.949 -4.574 1.00 0.00 H new ATOM 63 N THR A 5 -5.812 11.161 -6.889 1.00 0.00 N ATOM 64 CA THR A 5 -6.665 9.982 -6.934 1.00 0.00 C ATOM 65 C THR A 5 -5.842 8.727 -7.165 1.00 0.00 C ATOM 66 O THR A 5 -4.900 8.733 -7.952 1.00 0.00 O ATOM 67 CB THR A 5 -7.718 10.130 -8.034 1.00 0.00 C ATOM 68 OG1 THR A 5 -7.823 11.479 -8.454 1.00 0.00 O ATOM 69 CG2 THR A 5 -9.096 9.671 -7.610 1.00 0.00 C ATOM 0 H THR A 5 -5.205 11.282 -7.700 1.00 0.00 H new ATOM 0 HA THR A 5 -7.169 9.890 -5.972 1.00 0.00 H new ATOM 0 HB THR A 5 -7.375 9.491 -8.848 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.501 11.550 -9.158 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.794 9.803 -8.437 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.059 8.618 -7.331 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.429 10.261 -6.756 1.00 0.00 H new ATOM 77 N ILE A 6 -6.194 7.651 -6.474 1.00 0.00 N ATOM 78 CA ILE A 6 -5.476 6.406 -6.614 1.00 0.00 C ATOM 79 C ILE A 6 -6.331 5.217 -6.192 1.00 0.00 C ATOM 80 O ILE A 6 -7.531 5.347 -5.947 1.00 0.00 O ATOM 81 CB ILE A 6 -4.186 6.415 -5.778 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.499 6.341 -4.281 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.357 7.650 -6.081 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.525 5.477 -3.509 1.00 0.00 C ATOM 0 H ILE A 6 -6.971 7.622 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.224 6.305 -7.670 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.608 5.532 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.490 7.348 -3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.507 5.949 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.449 7.636 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.091 7.659 -7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.935 8.543 -5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.803 5.467 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.551 4.460 -3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.518 5.881 -3.614 1.00 0.00 H new ATOM 96 N ASN A 7 -5.689 4.062 -6.108 1.00 0.00 N ATOM 97 CA ASN A 7 -6.345 2.825 -5.711 1.00 0.00 C ATOM 98 C ASN A 7 -7.108 3.005 -4.402 1.00 0.00 C ATOM 99 O ASN A 7 -7.266 4.124 -3.918 1.00 0.00 O ATOM 100 CB ASN A 7 -5.290 1.724 -5.600 1.00 0.00 C ATOM 101 CG ASN A 7 -4.396 1.910 -4.395 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.528 1.201 -3.401 1.00 0.00 O ATOM 103 ND2 ASN A 7 -3.479 2.869 -4.482 1.00 0.00 N ATOM 0 H ASN A 7 -4.696 3.955 -6.314 1.00 0.00 H new ATOM 0 HA ASN A 7 -7.079 2.541 -6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.784 0.754 -5.538 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.681 1.714 -6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.846 3.042 -3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.409 3.432 -5.330 1.00 0.00 H new ATOM 110 N PRO A 8 -7.623 1.910 -3.824 1.00 0.00 N ATOM 111 CA PRO A 8 -8.405 1.967 -2.593 1.00 0.00 C ATOM 112 C PRO A 8 -7.583 2.402 -1.383 1.00 0.00 C ATOM 113 O PRO A 8 -6.525 3.014 -1.525 1.00 0.00 O ATOM 114 CB PRO A 8 -8.922 0.532 -2.412 1.00 0.00 C ATOM 115 CG PRO A 8 -8.732 -0.114 -3.739 1.00 0.00 C ATOM 116 CD PRO A 8 -7.523 0.536 -4.333 1.00 0.00 C ATOM 0 HA PRO A 8 -9.200 2.709 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.367 0.007 -1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.971 0.524 -2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.587 -1.189 -3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.606 0.030 -4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.601 0.050 -4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.538 0.504 -5.422 1.00 0.00 H new ATOM 124 N THR A 9 -8.084 2.090 -0.192 1.00 0.00 N ATOM 125 CA THR A 9 -7.404 2.460 1.041 1.00 0.00 C ATOM 126 C THR A 9 -7.565 1.387 2.122 1.00 0.00 C ATOM 127 O THR A 9 -7.222 1.613 3.283 1.00 0.00 O ATOM 128 CB THR A 9 -7.947 3.802 1.546 1.00 0.00 C ATOM 129 OG1 THR A 9 -7.570 4.853 0.676 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.473 4.169 2.937 1.00 0.00 C ATOM 0 H THR A 9 -8.958 1.582 -0.056 1.00 0.00 H new ATOM 0 HA THR A 9 -6.340 2.551 0.825 1.00 0.00 H new ATOM 0 HB THR A 9 -9.029 3.675 1.576 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.608 5.019 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.899 5.130 3.225 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.793 3.404 3.644 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.385 4.237 2.945 1.00 0.00 H new ATOM 138 N SER A 10 -8.086 0.223 1.745 1.00 0.00 N ATOM 139 CA SER A 10 -8.282 -0.854 2.705 1.00 0.00 C ATOM 140 C SER A 10 -8.010 -2.217 2.083 1.00 0.00 C ATOM 141 O SER A 10 -8.570 -2.560 1.041 1.00 0.00 O ATOM 142 CB SER A 10 -9.707 -0.811 3.264 1.00 0.00 C ATOM 143 OG SER A 10 -10.596 -1.550 2.444 1.00 0.00 O ATOM 0 H SER A 10 -8.377 0.004 0.792 1.00 0.00 H new ATOM 0 HA SER A 10 -7.569 -0.707 3.516 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.717 -1.217 4.276 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.044 0.223 3.332 1.00 0.00 H new ATOM 0 HG SER A 10 -10.167 -1.739 1.583 1.00 0.00 H new ATOM 149 N ILE A 11 -7.149 -2.994 2.734 1.00 0.00 N ATOM 150 CA ILE A 11 -6.804 -4.329 2.253 1.00 0.00 C ATOM 151 C ILE A 11 -6.371 -5.223 3.415 1.00 0.00 C ATOM 152 O ILE A 11 -5.906 -4.734 4.445 1.00 0.00 O ATOM 153 CB ILE A 11 -5.684 -4.272 1.180 1.00 0.00 C ATOM 154 CG1 ILE A 11 -4.724 -5.459 1.315 1.00 0.00 C ATOM 155 CG2 ILE A 11 -4.919 -2.958 1.271 1.00 0.00 C ATOM 156 CD1 ILE A 11 -3.720 -5.550 0.188 1.00 0.00 C ATOM 0 H ILE A 11 -6.677 -2.722 3.596 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.695 -4.754 1.791 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.159 -4.332 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.190 -5.379 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.302 -6.382 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.138 -2.938 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.604 -2.126 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.466 -2.868 2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.072 -6.412 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.246 -5.661 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.117 -4.642 0.164 1.00 0.00 H new ATOM 168 N SER A 12 -6.530 -6.531 3.248 1.00 0.00 N ATOM 169 CA SER A 12 -6.154 -7.483 4.286 1.00 0.00 C ATOM 170 C SER A 12 -5.901 -8.869 3.706 1.00 0.00 C ATOM 171 O SER A 12 -6.660 -9.357 2.869 1.00 0.00 O ATOM 172 CB SER A 12 -7.239 -7.563 5.356 1.00 0.00 C ATOM 173 OG SER A 12 -8.320 -6.695 5.059 1.00 0.00 O ATOM 0 H SER A 12 -6.916 -6.956 2.405 1.00 0.00 H new ATOM 0 HA SER A 12 -5.228 -7.127 4.737 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.603 -8.588 5.432 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.816 -7.302 6.326 1.00 0.00 H new ATOM 0 HG SER A 12 -9.001 -6.768 5.760 1.00 0.00 H new ATOM 179 N ALA A 13 -4.826 -9.494 4.168 1.00 0.00 N ATOM 180 CA ALA A 13 -4.452 -10.820 3.721 1.00 0.00 C ATOM 181 C ALA A 13 -3.319 -11.366 4.576 1.00 0.00 C ATOM 182 O ALA A 13 -2.656 -10.622 5.303 1.00 0.00 O ATOM 183 CB ALA A 13 -4.048 -10.794 2.253 1.00 0.00 C ATOM 0 H ALA A 13 -4.194 -9.094 4.861 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.315 -11.478 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.770 -11.799 1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.886 -10.441 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.199 -10.124 2.121 1.00 0.00 H new ATOM 189 N LYS A 14 -3.085 -12.662 4.477 1.00 0.00 N ATOM 190 CA LYS A 14 -2.014 -13.291 5.230 1.00 0.00 C ATOM 191 C LYS A 14 -0.674 -12.854 4.655 1.00 0.00 C ATOM 192 O LYS A 14 -0.475 -12.890 3.444 1.00 0.00 O ATOM 193 CB LYS A 14 -2.151 -14.818 5.192 1.00 0.00 C ATOM 194 CG LYS A 14 -0.870 -15.559 5.545 1.00 0.00 C ATOM 195 CD LYS A 14 -1.019 -17.058 5.330 1.00 0.00 C ATOM 196 CE LYS A 14 -1.668 -17.730 6.529 1.00 0.00 C ATOM 197 NZ LYS A 14 -0.712 -18.610 7.257 1.00 0.00 N ATOM 0 H LYS A 14 -3.620 -13.298 3.885 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.075 -12.979 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.937 -15.120 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.471 -15.120 4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.050 -15.182 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.609 -15.363 6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.620 -17.241 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.039 -17.500 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.051 -16.969 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.523 -18.319 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.193 -19.050 8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.366 -19.352 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.091 -18.044 7.597 1.00 0.00 H new ATOM 211 N ALA A 15 0.238 -12.423 5.509 1.00 0.00 N ATOM 212 CA ALA A 15 1.532 -11.980 5.022 1.00 0.00 C ATOM 213 C ALA A 15 2.171 -13.059 4.178 1.00 0.00 C ATOM 214 O ALA A 15 2.684 -14.059 4.680 1.00 0.00 O ATOM 215 CB ALA A 15 2.448 -11.546 6.159 1.00 0.00 C ATOM 0 H ALA A 15 0.112 -12.371 6.520 1.00 0.00 H new ATOM 0 HA ALA A 15 1.373 -11.102 4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.406 -11.222 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.987 -10.721 6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.607 -12.384 6.838 1.00 0.00 H new ATOM 221 N GLY A 16 2.090 -12.842 2.882 1.00 0.00 N ATOM 222 CA GLY A 16 2.610 -13.776 1.921 1.00 0.00 C ATOM 223 C GLY A 16 1.622 -13.953 0.799 1.00 0.00 C ATOM 224 O GLY A 16 1.990 -13.986 -0.366 1.00 0.00 O ATOM 0 H GLY A 16 1.661 -12.013 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.561 -13.416 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.806 -14.735 2.401 1.00 0.00 H new ATOM 228 N SER A 17 0.346 -14.002 1.154 1.00 0.00 N ATOM 229 CA SER A 17 -0.701 -14.130 0.172 1.00 0.00 C ATOM 230 C SER A 17 -0.818 -12.844 -0.627 1.00 0.00 C ATOM 231 O SER A 17 -1.768 -12.640 -1.384 1.00 0.00 O ATOM 232 CB SER A 17 -2.016 -14.423 0.886 1.00 0.00 C ATOM 233 OG SER A 17 -1.893 -14.276 2.290 1.00 0.00 O ATOM 0 H SER A 17 0.019 -13.954 2.119 1.00 0.00 H new ATOM 0 HA SER A 17 -0.467 -14.946 -0.512 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.789 -13.750 0.516 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.339 -15.438 0.653 1.00 0.00 H new ATOM 0 HG SER A 17 -1.673 -13.345 2.503 1.00 0.00 H new ATOM 239 N PHE A 18 0.154 -11.968 -0.447 1.00 0.00 N ATOM 240 CA PHE A 18 0.170 -10.699 -1.115 1.00 0.00 C ATOM 241 C PHE A 18 1.053 -10.733 -2.342 1.00 0.00 C ATOM 242 O PHE A 18 2.167 -10.216 -2.333 1.00 0.00 O ATOM 243 CB PHE A 18 0.676 -9.654 -0.148 1.00 0.00 C ATOM 244 CG PHE A 18 -0.310 -9.307 0.918 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.404 -8.505 0.638 1.00 0.00 C ATOM 246 CD2 PHE A 18 -0.151 -9.794 2.203 1.00 0.00 C ATOM 247 CE1 PHE A 18 -2.319 -8.193 1.623 1.00 0.00 C ATOM 248 CE2 PHE A 18 -1.062 -9.489 3.191 1.00 0.00 C ATOM 249 CZ PHE A 18 -2.148 -8.687 2.902 1.00 0.00 C ATOM 0 H PHE A 18 0.951 -12.126 0.169 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.841 -10.459 -1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.593 -10.015 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.934 -8.751 -0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.542 -8.120 -0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.697 -10.421 2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.167 -7.564 1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.927 -9.877 4.190 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.863 -8.446 3.675 1.00 0.00 H new ATOM 259 N ALA A 19 0.547 -11.328 -3.401 1.00 0.00 N ATOM 260 CA ALA A 19 1.303 -11.407 -4.641 1.00 0.00 C ATOM 261 C ALA A 19 1.429 -10.018 -5.249 1.00 0.00 C ATOM 262 O ALA A 19 0.665 -9.117 -4.903 1.00 0.00 O ATOM 263 CB ALA A 19 0.626 -12.359 -5.617 1.00 0.00 C ATOM 0 H ALA A 19 -0.376 -11.762 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 19 2.300 -11.793 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.205 -12.406 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.567 -13.353 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.379 -12.000 -5.837 1.00 0.00 H new ATOM 269 N ASP A 20 2.404 -9.837 -6.140 1.00 0.00 N ATOM 270 CA ASP A 20 2.626 -8.537 -6.774 1.00 0.00 C ATOM 271 C ASP A 20 1.300 -7.811 -6.980 1.00 0.00 C ATOM 272 O ASP A 20 0.473 -8.230 -7.790 1.00 0.00 O ATOM 273 CB ASP A 20 3.339 -8.715 -8.114 1.00 0.00 C ATOM 274 CG ASP A 20 3.734 -7.391 -8.740 1.00 0.00 C ATOM 275 OD1 ASP A 20 4.762 -6.818 -8.318 1.00 0.00 O ATOM 276 OD2 ASP A 20 3.017 -6.927 -9.649 1.00 0.00 O ATOM 0 H ASP A 20 3.049 -10.569 -6.438 1.00 0.00 H new ATOM 0 HA ASP A 20 3.255 -7.936 -6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.230 -9.326 -7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.688 -9.258 -8.799 1.00 0.00 H new ATOM 281 N THR A 21 1.089 -6.734 -6.224 1.00 0.00 N ATOM 282 CA THR A 21 -0.158 -5.985 -6.321 1.00 0.00 C ATOM 283 C THR A 21 0.040 -4.606 -6.940 1.00 0.00 C ATOM 284 O THR A 21 0.497 -3.682 -6.278 1.00 0.00 O ATOM 285 CB THR A 21 -0.794 -5.841 -4.936 1.00 0.00 C ATOM 286 OG1 THR A 21 -0.579 -7.008 -4.163 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.285 -5.588 -4.985 1.00 0.00 C ATOM 0 H THR A 21 1.757 -6.366 -5.547 1.00 0.00 H new ATOM 0 HA THR A 21 -0.820 -6.549 -6.978 1.00 0.00 H new ATOM 0 HB THR A 21 -0.311 -4.974 -4.484 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.437 -7.773 -4.758 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.672 -5.496 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.480 -4.666 -5.533 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.779 -6.420 -5.488 1.00 0.00 H new ATOM 295 N LYS A 22 -0.318 -4.469 -8.210 1.00 0.00 N ATOM 296 CA LYS A 22 -0.180 -3.209 -8.904 1.00 0.00 C ATOM 297 C LYS A 22 -1.169 -2.186 -8.371 1.00 0.00 C ATOM 298 O LYS A 22 -2.170 -2.524 -7.739 1.00 0.00 O ATOM 299 CB LYS A 22 -0.357 -3.410 -10.416 1.00 0.00 C ATOM 300 CG LYS A 22 -1.504 -2.618 -11.029 1.00 0.00 C ATOM 301 CD LYS A 22 -2.854 -3.139 -10.562 1.00 0.00 C ATOM 302 CE LYS A 22 -3.786 -3.398 -11.734 1.00 0.00 C ATOM 303 NZ LYS A 22 -5.203 -3.537 -11.295 1.00 0.00 N ATOM 0 H LYS A 22 -0.707 -5.222 -8.777 1.00 0.00 H new ATOM 0 HA LYS A 22 0.824 -2.825 -8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.569 -3.131 -10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.519 -4.470 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.406 -1.566 -10.760 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.447 -2.675 -12.116 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.714 -4.060 -9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.310 -2.416 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.706 -2.580 -12.450 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.475 -4.306 -12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.807 -3.713 -12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.284 -4.334 -10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.508 -2.662 -10.824 1.00 0.00 H new ATOM 317 N ILE A 23 -0.849 -0.938 -8.626 1.00 0.00 N ATOM 318 CA ILE A 23 -1.655 0.179 -8.180 1.00 0.00 C ATOM 319 C ILE A 23 -1.592 1.324 -9.191 1.00 0.00 C ATOM 320 O ILE A 23 -0.667 1.394 -10.000 1.00 0.00 O ATOM 321 CB ILE A 23 -1.167 0.670 -6.813 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.428 -0.377 -5.731 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.809 2.000 -6.450 1.00 0.00 C ATOM 324 CD1 ILE A 23 -2.838 -0.368 -5.184 1.00 0.00 C ATOM 0 H ILE A 23 -0.018 -0.666 -9.151 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.688 -0.157 -8.093 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.090 0.825 -6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.215 -1.365 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.731 -0.215 -4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.445 2.326 -5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.550 2.746 -7.202 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.892 1.883 -6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.938 -1.141 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.051 0.606 -4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.543 -0.562 -5.992 1.00 0.00 H new ATOM 336 N THR A 24 -2.579 2.216 -9.146 1.00 0.00 N ATOM 337 CA THR A 24 -2.623 3.345 -10.071 1.00 0.00 C ATOM 338 C THR A 24 -2.655 4.680 -9.327 1.00 0.00 C ATOM 339 O THR A 24 -3.646 5.020 -8.680 1.00 0.00 O ATOM 340 CB THR A 24 -3.845 3.230 -10.986 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.894 1.954 -11.596 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.864 4.269 -12.088 1.00 0.00 C ATOM 0 H THR A 24 -3.354 2.180 -8.484 1.00 0.00 H new ATOM 0 HA THR A 24 -1.715 3.316 -10.673 1.00 0.00 H new ATOM 0 HB THR A 24 -4.709 3.392 -10.341 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.682 1.899 -12.176 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.755 4.133 -12.701 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.875 5.266 -11.648 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.976 4.157 -12.709 1.00 0.00 H new ATOM 350 N LEU A 25 -1.563 5.431 -9.432 1.00 0.00 N ATOM 351 CA LEU A 25 -1.440 6.725 -8.786 1.00 0.00 C ATOM 352 C LEU A 25 -1.938 7.847 -9.703 1.00 0.00 C ATOM 353 O LEU A 25 -1.160 8.407 -10.468 1.00 0.00 O ATOM 354 CB LEU A 25 0.022 6.954 -8.458 1.00 0.00 C ATOM 355 CG LEU A 25 0.441 6.618 -7.035 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.933 6.346 -6.986 1.00 0.00 C ATOM 357 CD2 LEU A 25 0.067 7.746 -6.089 1.00 0.00 C ATOM 0 H LEU A 25 -0.740 5.156 -9.969 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.047 6.734 -7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.626 6.361 -9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.258 8.001 -8.649 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.087 5.720 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.226 6.106 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.171 5.506 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.475 7.230 -7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.374 7.488 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.570 8.662 -6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.012 7.898 -6.113 1.00 0.00 H new ATOM 369 N THR A 26 -3.226 8.180 -9.626 1.00 0.00 N ATOM 370 CA THR A 26 -3.779 9.244 -10.460 1.00 0.00 C ATOM 371 C THR A 26 -3.236 10.601 -10.013 1.00 0.00 C ATOM 372 O THR A 26 -3.596 11.108 -8.945 1.00 0.00 O ATOM 373 CB THR A 26 -5.307 9.241 -10.408 1.00 0.00 C ATOM 374 OG1 THR A 26 -5.800 7.919 -10.263 1.00 0.00 O ATOM 375 CG2 THR A 26 -5.949 9.839 -11.640 1.00 0.00 C ATOM 0 H THR A 26 -3.898 7.734 -9.002 1.00 0.00 H new ATOM 0 HA THR A 26 -3.474 9.063 -11.491 1.00 0.00 H new ATOM 0 HB THR A 26 -5.569 9.857 -9.548 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.684 7.627 -9.335 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.034 9.806 -11.538 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.627 10.874 -11.752 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.650 9.269 -12.519 1.00 0.00 H new ATOM 383 N PRO A 27 -2.347 11.195 -10.838 1.00 0.00 N ATOM 384 CA PRO A 27 -1.710 12.485 -10.566 1.00 0.00 C ATOM 385 C PRO A 27 -2.442 13.651 -11.199 1.00 0.00 C ATOM 386 O PRO A 27 -1.966 14.776 -11.157 1.00 0.00 O ATOM 387 CB PRO A 27 -0.377 12.294 -11.257 1.00 0.00 C ATOM 388 CG PRO A 27 -0.749 11.574 -12.506 1.00 0.00 C ATOM 389 CD PRO A 27 -1.876 10.644 -12.123 1.00 0.00 C ATOM 0 HA PRO A 27 -1.672 12.723 -9.503 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.108 13.247 -11.469 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.315 11.713 -10.647 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.064 12.272 -13.281 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.099 11.017 -12.904 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.667 10.640 -12.873 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.531 9.615 -12.018 1.00 0.00 H new ATOM 397 N ASN A 28 -3.575 13.335 -11.809 1.00 0.00 N ATOM 398 CA ASN A 28 -4.426 14.270 -12.519 1.00 0.00 C ATOM 399 C ASN A 28 -4.468 15.614 -11.826 1.00 0.00 C ATOM 400 O ASN A 28 -5.487 16.051 -11.293 1.00 0.00 O ATOM 401 CB ASN A 28 -5.841 13.705 -12.633 1.00 0.00 C ATOM 402 CG ASN A 28 -6.323 13.634 -14.070 1.00 0.00 C ATOM 403 OD1 ASN A 28 -6.062 14.535 -14.868 1.00 0.00 O ATOM 404 ND2 ASN A 28 -7.029 12.561 -14.405 1.00 0.00 N ATOM 0 H ASN A 28 -3.938 12.382 -11.822 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.007 14.414 -13.515 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.867 12.707 -12.194 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.525 14.326 -12.054 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.380 12.458 -15.357 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.221 11.839 -13.710 1.00 0.00 H new ATOM 411 N GLY A 29 -3.325 16.247 -11.864 1.00 0.00 N ATOM 412 CA GLY A 29 -3.149 17.556 -11.263 1.00 0.00 C ATOM 413 C GLY A 29 -2.182 17.539 -10.096 1.00 0.00 C ATOM 414 O GLY A 29 -1.542 18.544 -9.791 1.00 0.00 O ATOM 0 H GLY A 29 -2.486 15.876 -12.311 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.787 18.253 -12.019 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.116 17.928 -10.923 1.00 0.00 H new ATOM 418 N ASN A 30 -2.086 16.391 -9.443 1.00 0.00 N ATOM 419 CA ASN A 30 -1.206 16.220 -8.298 1.00 0.00 C ATOM 420 C ASN A 30 -0.061 15.267 -8.622 1.00 0.00 C ATOM 421 O ASN A 30 -0.088 14.564 -9.633 1.00 0.00 O ATOM 422 CB ASN A 30 -1.999 15.684 -7.106 1.00 0.00 C ATOM 423 CG ASN A 30 -3.499 15.799 -7.304 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.148 16.641 -6.689 1.00 0.00 O ATOM 425 ND2 ASN A 30 -4.055 14.953 -8.166 1.00 0.00 N ATOM 0 H ASN A 30 -2.614 15.554 -9.691 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.783 17.193 -8.048 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.737 14.639 -6.940 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.712 16.231 -6.208 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.060 14.987 -8.338 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.477 14.270 -8.655 1.00 0.00 H new ATOM 432 N THR A 31 0.935 15.243 -7.750 1.00 0.00 N ATOM 433 CA THR A 31 2.088 14.374 -7.930 1.00 0.00 C ATOM 434 C THR A 31 2.309 13.513 -6.690 1.00 0.00 C ATOM 435 O THR A 31 1.858 13.853 -5.598 1.00 0.00 O ATOM 436 CB THR A 31 3.344 15.197 -8.220 1.00 0.00 C ATOM 437 OG1 THR A 31 4.488 14.363 -8.250 1.00 0.00 O ATOM 438 CG2 THR A 31 3.595 16.287 -7.201 1.00 0.00 C ATOM 0 H THR A 31 0.968 15.817 -6.908 1.00 0.00 H new ATOM 0 HA THR A 31 1.890 13.723 -8.781 1.00 0.00 H new ATOM 0 HB THR A 31 3.169 15.665 -9.189 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.283 14.905 -8.438 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.501 16.832 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.749 16.974 -7.187 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.716 15.841 -6.214 1.00 0.00 H new ATOM 446 N PHE A 32 2.997 12.395 -6.875 1.00 0.00 N ATOM 447 CA PHE A 32 3.271 11.478 -5.777 1.00 0.00 C ATOM 448 C PHE A 32 4.744 11.512 -5.382 1.00 0.00 C ATOM 449 O PHE A 32 5.613 11.763 -6.216 1.00 0.00 O ATOM 450 CB PHE A 32 2.874 10.059 -6.177 1.00 0.00 C ATOM 451 CG PHE A 32 3.084 9.045 -5.094 1.00 0.00 C ATOM 452 CD1 PHE A 32 2.647 9.288 -3.808 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.716 7.846 -5.370 1.00 0.00 C ATOM 454 CE1 PHE A 32 2.835 8.348 -2.816 1.00 0.00 C ATOM 455 CE2 PHE A 32 3.910 6.907 -4.383 1.00 0.00 C ATOM 456 CZ PHE A 32 3.465 7.157 -3.104 1.00 0.00 C ATOM 0 H PHE A 32 3.376 12.101 -7.775 1.00 0.00 H new ATOM 0 HA PHE A 32 2.682 11.794 -4.916 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.824 10.054 -6.468 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.449 9.764 -7.055 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.154 10.221 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.062 7.644 -6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.488 8.546 -1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.410 5.977 -4.611 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.610 6.420 -2.328 1.00 0.00 H new ATOM 466 N ASN A 33 5.017 11.256 -4.108 1.00 0.00 N ATOM 467 CA ASN A 33 6.383 11.254 -3.603 1.00 0.00 C ATOM 468 C ASN A 33 6.825 9.840 -3.233 1.00 0.00 C ATOM 469 O ASN A 33 7.988 9.475 -3.411 1.00 0.00 O ATOM 470 CB ASN A 33 6.502 12.172 -2.385 1.00 0.00 C ATOM 471 CG ASN A 33 7.679 13.122 -2.489 1.00 0.00 C ATOM 472 OD1 ASN A 33 8.702 12.798 -3.093 1.00 0.00 O ATOM 473 ND2 ASN A 33 7.539 14.305 -1.901 1.00 0.00 N ATOM 0 H ASN A 33 4.308 11.047 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 33 7.035 11.625 -4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.583 12.748 -2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.607 11.566 -1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.297 14.987 -1.940 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.674 14.532 -1.411 1.00 0.00 H new ATOM 480 N GLY A 34 5.890 9.050 -2.717 1.00 0.00 N ATOM 481 CA GLY A 34 6.199 7.685 -2.330 1.00 0.00 C ATOM 482 C GLY A 34 5.490 7.272 -1.054 1.00 0.00 C ATOM 483 O GLY A 34 4.683 8.026 -0.511 1.00 0.00 O ATOM 0 H GLY A 34 4.922 9.331 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.915 7.008 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.276 7.584 -2.194 1.00 0.00 H new ATOM 487 N ILE A 35 5.797 6.072 -0.572 1.00 0.00 N ATOM 488 CA ILE A 35 5.196 5.567 0.651 1.00 0.00 C ATOM 489 C ILE A 35 6.263 5.378 1.714 1.00 0.00 C ATOM 490 O ILE A 35 6.920 4.340 1.774 1.00 0.00 O ATOM 491 CB ILE A 35 4.490 4.216 0.452 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.756 4.171 -0.888 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.537 3.942 1.609 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.275 4.463 -0.793 1.00 0.00 C ATOM 0 H ILE A 35 6.459 5.433 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 35 4.455 6.306 0.956 1.00 0.00 H new ATOM 0 HB ILE A 35 5.247 3.432 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.214 4.892 -1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.893 3.185 -1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.044 2.982 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.097 3.916 2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.787 4.731 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.829 4.411 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.800 3.728 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.127 5.461 -0.381 1.00 0.00 H new ATOM 506 N SER A 36 6.425 6.381 2.551 1.00 0.00 N ATOM 507 CA SER A 36 7.422 6.316 3.619 1.00 0.00 C ATOM 508 C SER A 36 7.037 5.252 4.628 1.00 0.00 C ATOM 509 O SER A 36 7.888 4.713 5.335 1.00 0.00 O ATOM 510 CB SER A 36 7.575 7.674 4.308 1.00 0.00 C ATOM 511 OG SER A 36 8.571 8.457 3.676 1.00 0.00 O ATOM 0 H SER A 36 5.888 7.248 2.520 1.00 0.00 H new ATOM 0 HA SER A 36 8.382 6.052 3.176 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.623 8.205 4.287 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.835 7.526 5.356 1.00 0.00 H new ATOM 0 HG SER A 36 8.648 9.320 4.134 1.00 0.00 H new ATOM 517 N GLU A 37 5.755 4.920 4.661 1.00 0.00 N ATOM 518 CA GLU A 37 5.272 3.890 5.543 1.00 0.00 C ATOM 519 C GLU A 37 5.975 2.586 5.189 1.00 0.00 C ATOM 520 O GLU A 37 6.144 1.698 6.024 1.00 0.00 O ATOM 521 CB GLU A 37 3.770 3.757 5.370 1.00 0.00 C ATOM 522 CG GLU A 37 3.004 3.675 6.676 1.00 0.00 C ATOM 523 CD GLU A 37 1.700 4.442 6.616 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.054 4.423 5.546 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.326 5.062 7.634 1.00 0.00 O ATOM 0 H GLU A 37 5.036 5.355 4.083 1.00 0.00 H new ATOM 0 HA GLU A 37 5.481 4.138 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.403 4.610 4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.560 2.864 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.800 2.631 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.620 4.070 7.484 1.00 0.00 H new ATOM 532 N LEU A 38 6.398 2.507 3.929 1.00 0.00 N ATOM 533 CA LEU A 38 7.104 1.355 3.411 1.00 0.00 C ATOM 534 C LEU A 38 8.121 1.799 2.360 1.00 0.00 C ATOM 535 O LEU A 38 7.805 1.890 1.176 1.00 0.00 O ATOM 536 CB LEU A 38 6.119 0.354 2.805 1.00 0.00 C ATOM 537 CG LEU A 38 4.854 0.976 2.212 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.488 0.295 0.902 1.00 0.00 C ATOM 539 CD2 LEU A 38 3.706 0.890 3.204 1.00 0.00 C ATOM 0 H LEU A 38 6.256 3.248 3.242 1.00 0.00 H new ATOM 0 HA LEU A 38 7.631 0.867 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.630 -0.210 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.829 -0.360 3.576 1.00 0.00 H new ATOM 0 HG LEU A 38 5.049 2.028 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.585 0.751 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.306 0.411 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.310 -0.765 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.813 1.337 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.509 -0.155 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.971 1.426 4.115 1.00 0.00 H new ATOM 551 N GLN A 39 9.334 2.104 2.818 1.00 0.00 N ATOM 552 CA GLN A 39 10.408 2.572 1.975 1.00 0.00 C ATOM 553 C GLN A 39 10.321 1.982 0.590 1.00 0.00 C ATOM 554 O GLN A 39 10.791 0.884 0.306 1.00 0.00 O ATOM 555 CB GLN A 39 11.767 2.249 2.601 1.00 0.00 C ATOM 556 CG GLN A 39 12.945 2.808 1.818 1.00 0.00 C ATOM 557 CD GLN A 39 13.830 3.705 2.660 1.00 0.00 C ATOM 558 OE1 GLN A 39 15.053 3.569 2.659 1.00 0.00 O ATOM 559 NE2 GLN A 39 13.212 4.633 3.383 1.00 0.00 N ATOM 0 H GLN A 39 9.592 2.028 3.802 1.00 0.00 H new ATOM 0 HA GLN A 39 10.308 3.654 1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.794 2.646 3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.874 1.167 2.679 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.539 1.983 1.424 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.573 3.371 0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.195 4.710 3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.754 5.269 3.968 1.00 0.00 H new ATOM 568 N SER A 40 9.682 2.786 -0.225 1.00 0.00 N ATOM 569 CA SER A 40 9.414 2.534 -1.649 1.00 0.00 C ATOM 570 C SER A 40 9.990 1.219 -2.150 1.00 0.00 C ATOM 571 O SER A 40 9.335 0.491 -2.890 1.00 0.00 O ATOM 572 CB SER A 40 9.965 3.684 -2.493 1.00 0.00 C ATOM 573 OG SER A 40 10.019 3.333 -3.864 1.00 0.00 O ATOM 0 H SER A 40 9.310 3.683 0.088 1.00 0.00 H new ATOM 0 HA SER A 40 8.331 2.465 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.337 4.566 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.963 3.950 -2.143 1.00 0.00 H new ATOM 0 HG SER A 40 10.373 4.086 -4.381 1.00 0.00 H new ATOM 579 N SER A 41 11.211 0.925 -1.753 1.00 0.00 N ATOM 580 CA SER A 41 11.862 -0.306 -2.172 1.00 0.00 C ATOM 581 C SER A 41 10.932 -1.505 -1.970 1.00 0.00 C ATOM 582 O SER A 41 11.081 -2.538 -2.619 1.00 0.00 O ATOM 583 CB SER A 41 13.168 -0.510 -1.398 1.00 0.00 C ATOM 584 OG SER A 41 13.297 -1.847 -0.944 1.00 0.00 O ATOM 0 H SER A 41 11.774 1.517 -1.143 1.00 0.00 H new ATOM 0 HA SER A 41 12.094 -0.226 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.014 -0.258 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.198 0.170 -0.546 1.00 0.00 H new ATOM 0 HG SER A 41 14.141 -1.947 -0.455 1.00 0.00 H new ATOM 590 N GLN A 42 9.972 -1.352 -1.059 1.00 0.00 N ATOM 591 CA GLN A 42 9.014 -2.398 -0.756 1.00 0.00 C ATOM 592 C GLN A 42 8.173 -2.765 -1.976 1.00 0.00 C ATOM 593 O GLN A 42 7.720 -3.902 -2.123 1.00 0.00 O ATOM 594 CB GLN A 42 8.113 -1.924 0.376 1.00 0.00 C ATOM 595 CG GLN A 42 8.805 -1.053 1.418 1.00 0.00 C ATOM 596 CD GLN A 42 10.238 -1.470 1.697 1.00 0.00 C ATOM 597 OE1 GLN A 42 10.768 -2.393 1.084 1.00 0.00 O ATOM 598 NE2 GLN A 42 10.874 -0.788 2.643 1.00 0.00 N ATOM 0 H GLN A 42 9.842 -0.499 -0.515 1.00 0.00 H new ATOM 0 HA GLN A 42 9.559 -3.293 -0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.280 -1.365 -0.050 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.689 -2.796 0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.795 -0.017 1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.236 -1.090 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.400 -0.028 3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.837 -1.025 2.882 1.00 0.00 H new ATOM 607 N TYR A 43 7.969 -1.790 -2.841 1.00 0.00 N ATOM 608 CA TYR A 43 7.185 -1.979 -4.055 1.00 0.00 C ATOM 609 C TYR A 43 7.951 -1.516 -5.288 1.00 0.00 C ATOM 610 O TYR A 43 9.141 -1.207 -5.226 1.00 0.00 O ATOM 611 CB TYR A 43 5.848 -1.233 -3.947 1.00 0.00 C ATOM 612 CG TYR A 43 5.954 0.101 -3.263 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.089 0.185 -1.886 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.924 1.282 -3.995 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.193 1.406 -1.256 1.00 0.00 C ATOM 616 CE2 TYR A 43 6.025 2.507 -3.369 1.00 0.00 C ATOM 617 CZ TYR A 43 6.159 2.562 -2.001 1.00 0.00 C ATOM 618 OH TYR A 43 6.277 3.779 -1.381 1.00 0.00 O ATOM 0 H TYR A 43 8.339 -0.846 -2.726 1.00 0.00 H new ATOM 0 HA TYR A 43 6.988 -3.046 -4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.442 -1.087 -4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.138 -1.855 -3.402 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.113 -0.721 -1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.820 1.240 -5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.301 1.455 -0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.999 3.417 -3.949 1.00 0.00 H new ATOM 0 HH TYR A 43 6.983 3.734 -0.703 1.00 0.00 H new ATOM 628 N THR A 44 7.242 -1.475 -6.399 1.00 0.00 N ATOM 629 CA THR A 44 7.791 -1.060 -7.673 1.00 0.00 C ATOM 630 C THR A 44 6.945 0.059 -8.242 1.00 0.00 C ATOM 631 O THR A 44 5.968 -0.165 -8.959 1.00 0.00 O ATOM 632 CB THR A 44 7.832 -2.237 -8.650 1.00 0.00 C ATOM 633 OG1 THR A 44 7.885 -3.470 -7.951 1.00 0.00 O ATOM 634 CG2 THR A 44 9.017 -2.193 -9.591 1.00 0.00 C ATOM 0 H THR A 44 6.256 -1.732 -6.442 1.00 0.00 H new ATOM 0 HA THR A 44 8.811 -0.706 -7.522 1.00 0.00 H new ATOM 0 HB THR A 44 6.918 -2.155 -9.237 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.046 -3.958 -8.084 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.985 -3.056 -10.256 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.979 -1.278 -10.182 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.941 -2.214 -9.013 1.00 0.00 H new ATOM 642 N LYS A 45 7.318 1.271 -7.884 1.00 0.00 N ATOM 643 CA LYS A 45 6.614 2.460 -8.309 1.00 0.00 C ATOM 644 C LYS A 45 6.787 2.717 -9.798 1.00 0.00 C ATOM 645 O LYS A 45 7.618 2.100 -10.463 1.00 0.00 O ATOM 646 CB LYS A 45 7.145 3.657 -7.540 1.00 0.00 C ATOM 647 CG LYS A 45 6.566 3.801 -6.147 1.00 0.00 C ATOM 648 CD LYS A 45 6.722 5.219 -5.623 1.00 0.00 C ATOM 649 CE LYS A 45 6.133 6.235 -6.587 1.00 0.00 C ATOM 650 NZ LYS A 45 4.876 5.742 -7.213 1.00 0.00 N ATOM 0 H LYS A 45 8.123 1.458 -7.286 1.00 0.00 H new ATOM 0 HA LYS A 45 5.553 2.310 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.229 3.576 -7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.932 4.563 -8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.510 3.531 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.064 3.105 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.230 5.307 -4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.778 5.436 -5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.933 7.166 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.862 6.462 -7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.488 6.477 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.077 4.886 -7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.183 5.518 -6.471 1.00 0.00 H new ATOM 664 N GLY A 46 5.988 3.645 -10.302 1.00 0.00 N ATOM 665 CA GLY A 46 6.043 4.008 -11.700 1.00 0.00 C ATOM 666 C GLY A 46 5.176 5.212 -11.996 1.00 0.00 C ATOM 667 O GLY A 46 4.055 5.065 -12.482 1.00 0.00 O ATOM 0 H GLY A 46 5.294 4.158 -9.758 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.074 4.223 -11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.716 3.165 -12.309 1.00 0.00 H new ATOM 671 N THR A 47 5.695 6.407 -11.687 1.00 0.00 N ATOM 672 CA THR A 47 4.961 7.663 -11.915 1.00 0.00 C ATOM 673 C THR A 47 3.507 7.387 -12.273 1.00 0.00 C ATOM 674 O THR A 47 3.183 7.104 -13.426 1.00 0.00 O ATOM 675 CB THR A 47 5.628 8.469 -13.030 1.00 0.00 C ATOM 676 OG1 THR A 47 4.775 9.510 -13.476 1.00 0.00 O ATOM 677 CG2 THR A 47 6.000 7.632 -14.235 1.00 0.00 C ATOM 0 H THR A 47 6.621 6.533 -11.278 1.00 0.00 H new ATOM 0 HA THR A 47 4.984 8.241 -10.991 1.00 0.00 H new ATOM 0 HB THR A 47 6.542 8.868 -12.590 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.220 10.015 -14.188 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.469 8.266 -14.988 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.697 6.850 -13.934 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.102 7.176 -14.653 1.00 0.00 H new ATOM 685 N ASN A 48 2.643 7.435 -11.267 1.00 0.00 N ATOM 686 CA ASN A 48 1.222 7.165 -11.442 1.00 0.00 C ATOM 687 C ASN A 48 0.955 5.666 -11.354 1.00 0.00 C ATOM 688 O ASN A 48 -0.157 5.209 -11.587 1.00 0.00 O ATOM 689 CB ASN A 48 0.700 7.737 -12.768 1.00 0.00 C ATOM 690 CG ASN A 48 0.231 6.676 -13.740 1.00 0.00 C ATOM 691 OD1 ASN A 48 -0.944 6.322 -13.773 1.00 0.00 O ATOM 692 ND2 ASN A 48 1.152 6.158 -14.536 1.00 0.00 N ATOM 0 H ASN A 48 2.907 7.662 -10.308 1.00 0.00 H new ATOM 0 HA ASN A 48 0.682 7.664 -10.637 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.125 8.419 -12.561 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.489 8.325 -13.237 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.896 5.436 -15.210 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.118 6.481 -14.476 1.00 0.00 H new ATOM 699 N GLU A 49 1.987 4.906 -10.997 1.00 0.00 N ATOM 700 CA GLU A 49 1.853 3.466 -10.855 1.00 0.00 C ATOM 701 C GLU A 49 2.630 2.969 -9.644 1.00 0.00 C ATOM 702 O GLU A 49 3.734 3.432 -9.363 1.00 0.00 O ATOM 703 CB GLU A 49 2.345 2.748 -12.105 1.00 0.00 C ATOM 704 CG GLU A 49 1.714 3.257 -13.386 1.00 0.00 C ATOM 705 CD GLU A 49 2.157 2.475 -14.608 1.00 0.00 C ATOM 706 OE1 GLU A 49 1.841 1.270 -14.689 1.00 0.00 O ATOM 707 OE2 GLU A 49 2.824 3.068 -15.483 1.00 0.00 O ATOM 0 H GLU A 49 2.921 5.266 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 49 0.795 3.245 -10.715 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.427 2.858 -12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.138 1.682 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.629 3.202 -13.298 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.970 4.308 -13.520 1.00 0.00 H new ATOM 714 N VAL A 50 2.040 2.027 -8.936 1.00 0.00 N ATOM 715 CA VAL A 50 2.664 1.446 -7.748 1.00 0.00 C ATOM 716 C VAL A 50 2.422 -0.051 -7.686 1.00 0.00 C ATOM 717 O VAL A 50 1.281 -0.500 -7.688 1.00 0.00 O ATOM 718 CB VAL A 50 2.130 2.085 -6.449 1.00 0.00 C ATOM 719 CG1 VAL A 50 3.226 2.877 -5.753 1.00 0.00 C ATOM 720 CG2 VAL A 50 0.920 2.966 -6.731 1.00 0.00 C ATOM 0 H VAL A 50 1.123 1.641 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 50 3.732 1.646 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 50 1.811 1.283 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.830 3.320 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.054 2.212 -5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.581 3.667 -6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.564 3.404 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.202 3.761 -7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.127 2.364 -7.175 1.00 0.00 H new ATOM 730 N THR A 51 3.495 -0.835 -7.648 1.00 0.00 N ATOM 731 CA THR A 51 3.351 -2.288 -7.604 1.00 0.00 C ATOM 732 C THR A 51 3.917 -2.897 -6.322 1.00 0.00 C ATOM 733 O THR A 51 5.126 -2.921 -6.117 1.00 0.00 O ATOM 734 CB THR A 51 4.034 -2.917 -8.818 1.00 0.00 C ATOM 735 OG1 THR A 51 3.633 -2.270 -10.012 1.00 0.00 O ATOM 736 CG2 THR A 51 3.735 -4.393 -8.974 1.00 0.00 C ATOM 0 H THR A 51 4.458 -0.498 -7.647 1.00 0.00 H new ATOM 0 HA THR A 51 2.283 -2.503 -7.621 1.00 0.00 H new ATOM 0 HB THR A 51 5.103 -2.794 -8.643 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.083 -2.686 -10.777 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.250 -4.778 -9.854 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.079 -4.929 -8.089 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.661 -4.536 -9.091 1.00 0.00 H new ATOM 744 N LEU A 52 3.038 -3.425 -5.479 1.00 0.00 N ATOM 745 CA LEU A 52 3.457 -4.063 -4.246 1.00 0.00 C ATOM 746 C LEU A 52 4.205 -5.335 -4.579 1.00 0.00 C ATOM 747 O LEU A 52 3.752 -6.117 -5.412 1.00 0.00 O ATOM 748 CB LEU A 52 2.232 -4.427 -3.405 1.00 0.00 C ATOM 749 CG LEU A 52 1.526 -3.259 -2.729 1.00 0.00 C ATOM 750 CD1 LEU A 52 0.956 -2.297 -3.761 1.00 0.00 C ATOM 751 CD2 LEU A 52 0.431 -3.766 -1.804 1.00 0.00 C ATOM 0 H LEU A 52 2.029 -3.422 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 52 4.095 -3.378 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.514 -4.941 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.539 -5.136 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 52 2.259 -2.716 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.457 -1.472 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.764 -1.907 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.238 -2.822 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.064 -2.920 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.298 -4.336 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.869 -4.407 -1.039 1.00 0.00 H new ATOM 763 N LEU A 53 5.355 -5.543 -3.957 1.00 0.00 N ATOM 764 CA LEU A 53 6.125 -6.735 -4.249 1.00 0.00 C ATOM 765 C LEU A 53 5.945 -7.802 -3.175 1.00 0.00 C ATOM 766 O LEU A 53 6.506 -7.711 -2.087 1.00 0.00 O ATOM 767 CB LEU A 53 7.606 -6.395 -4.423 1.00 0.00 C ATOM 768 CG LEU A 53 7.934 -5.537 -5.646 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.281 -4.853 -5.472 1.00 0.00 C ATOM 770 CD2 LEU A 53 7.924 -6.384 -6.910 1.00 0.00 C ATOM 0 H LEU A 53 5.766 -4.917 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 53 5.748 -7.143 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.951 -5.874 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.171 -7.325 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 53 7.168 -4.767 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.498 -4.247 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.253 -4.214 -4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.059 -5.607 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.159 -5.757 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.668 -7.176 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.937 -6.827 -7.043 1.00 0.00 H new ATOM 782 N ALA A 54 5.164 -8.819 -3.511 1.00 0.00 N ATOM 783 CA ALA A 54 4.881 -9.930 -2.608 1.00 0.00 C ATOM 784 C ALA A 54 6.085 -10.327 -1.754 1.00 0.00 C ATOM 785 O ALA A 54 5.927 -10.975 -0.722 1.00 0.00 O ATOM 786 CB ALA A 54 4.399 -11.132 -3.406 1.00 0.00 C ATOM 0 H ALA A 54 4.707 -8.899 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 54 4.103 -9.592 -1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.189 -11.959 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.491 -10.868 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.171 -11.431 -4.115 1.00 0.00 H new ATOM 792 N SER A 55 7.281 -9.947 -2.184 1.00 0.00 N ATOM 793 CA SER A 55 8.490 -10.285 -1.441 1.00 0.00 C ATOM 794 C SER A 55 8.575 -9.499 -0.144 1.00 0.00 C ATOM 795 O SER A 55 8.798 -10.070 0.920 1.00 0.00 O ATOM 796 CB SER A 55 9.733 -10.031 -2.297 1.00 0.00 C ATOM 797 OG SER A 55 9.529 -8.948 -3.188 1.00 0.00 O ATOM 0 H SER A 55 7.441 -9.409 -3.036 1.00 0.00 H new ATOM 0 HA SER A 55 8.444 -11.345 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.585 -9.819 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.978 -10.930 -2.863 1.00 0.00 H new ATOM 0 HG SER A 55 10.339 -8.806 -3.721 1.00 0.00 H new ATOM 803 N TYR A 56 8.386 -8.191 -0.234 1.00 0.00 N ATOM 804 CA TYR A 56 8.432 -7.343 0.943 1.00 0.00 C ATOM 805 C TYR A 56 7.200 -7.581 1.789 1.00 0.00 C ATOM 806 O TYR A 56 7.280 -7.934 2.969 1.00 0.00 O ATOM 807 CB TYR A 56 8.489 -5.870 0.551 1.00 0.00 C ATOM 808 CG TYR A 56 8.317 -4.937 1.728 1.00 0.00 C ATOM 809 CD1 TYR A 56 7.053 -4.607 2.198 1.00 0.00 C ATOM 810 CD2 TYR A 56 9.419 -4.393 2.372 1.00 0.00 C ATOM 811 CE1 TYR A 56 6.894 -3.759 3.276 1.00 0.00 C ATOM 812 CE2 TYR A 56 9.268 -3.543 3.451 1.00 0.00 C ATOM 813 CZ TYR A 56 8.005 -3.230 3.899 1.00 0.00 C ATOM 814 OH TYR A 56 7.848 -2.384 4.973 1.00 0.00 O ATOM 0 H TYR A 56 8.200 -7.697 -1.107 1.00 0.00 H new ATOM 0 HA TYR A 56 9.330 -7.592 1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.445 -5.665 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.711 -5.665 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.181 -5.020 1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.412 -4.638 2.024 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.904 -3.511 3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.136 -3.127 3.940 1.00 0.00 H new ATOM 0 HH TYR A 56 8.728 -2.100 5.297 1.00 0.00 H new ATOM 824 N LEU A 57 6.058 -7.380 1.161 1.00 0.00 N ATOM 825 CA LEU A 57 4.785 -7.565 1.824 1.00 0.00 C ATOM 826 C LEU A 57 4.754 -8.895 2.558 1.00 0.00 C ATOM 827 O LEU A 57 4.303 -8.973 3.700 1.00 0.00 O ATOM 828 CB LEU A 57 3.645 -7.491 0.815 1.00 0.00 C ATOM 829 CG LEU A 57 2.508 -6.571 1.234 1.00 0.00 C ATOM 830 CD1 LEU A 57 3.033 -5.168 1.486 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.416 -6.550 0.178 1.00 0.00 C ATOM 0 H LEU A 57 5.987 -7.087 0.187 1.00 0.00 H new ATOM 0 HA LEU A 57 4.658 -6.765 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.041 -7.150 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.248 -8.494 0.656 1.00 0.00 H new ATOM 0 HG LEU A 57 2.078 -6.954 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.209 -4.520 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.780 -5.196 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.487 -4.780 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.613 -5.886 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.829 -6.192 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.022 -7.557 0.042 1.00 0.00 H new ATOM 843 N ASN A 58 5.245 -9.938 1.904 1.00 0.00 N ATOM 844 CA ASN A 58 5.279 -11.252 2.518 1.00 0.00 C ATOM 845 C ASN A 58 6.229 -11.251 3.708 1.00 0.00 C ATOM 846 O ASN A 58 6.098 -12.062 4.627 1.00 0.00 O ATOM 847 CB ASN A 58 5.708 -12.313 1.502 1.00 0.00 C ATOM 848 CG ASN A 58 5.903 -13.680 2.132 1.00 0.00 C ATOM 849 OD1 ASN A 58 6.756 -14.457 1.703 1.00 0.00 O ATOM 850 ND2 ASN A 58 5.113 -13.980 3.156 1.00 0.00 N ATOM 0 H ASN A 58 5.622 -9.899 0.957 1.00 0.00 H new ATOM 0 HA ASN A 58 4.275 -11.495 2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.956 -12.383 0.716 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.638 -12.000 1.026 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.200 -14.884 3.619 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.419 -13.306 3.479 1.00 0.00 H new ATOM 857 N THR A 59 7.194 -10.337 3.676 1.00 0.00 N ATOM 858 CA THR A 59 8.184 -10.223 4.740 1.00 0.00 C ATOM 859 C THR A 59 7.623 -9.495 5.954 1.00 0.00 C ATOM 860 O THR A 59 8.032 -9.760 7.084 1.00 0.00 O ATOM 861 CB THR A 59 9.432 -9.501 4.229 1.00 0.00 C ATOM 862 OG1 THR A 59 9.976 -10.173 3.108 1.00 0.00 O ATOM 863 CG2 THR A 59 10.525 -9.384 5.269 1.00 0.00 C ATOM 0 H THR A 59 7.311 -9.662 2.921 1.00 0.00 H new ATOM 0 HA THR A 59 8.452 -11.233 5.049 1.00 0.00 H new ATOM 0 HB THR A 59 9.097 -8.498 3.964 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.689 -9.723 2.286 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.381 -8.862 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.152 -8.826 6.128 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.831 -10.380 5.589 1.00 0.00 H new ATOM 871 N LEU A 60 6.693 -8.576 5.717 1.00 0.00 N ATOM 872 CA LEU A 60 6.083 -7.811 6.804 1.00 0.00 C ATOM 873 C LEU A 60 5.863 -8.688 8.039 1.00 0.00 C ATOM 874 O LEU A 60 5.467 -9.848 7.926 1.00 0.00 O ATOM 875 CB LEU A 60 4.751 -7.212 6.348 1.00 0.00 C ATOM 876 CG LEU A 60 4.742 -5.697 6.112 1.00 0.00 C ATOM 877 CD1 LEU A 60 4.166 -4.974 7.319 1.00 0.00 C ATOM 878 CD2 LEU A 60 6.139 -5.175 5.801 1.00 0.00 C ATOM 0 H LEU A 60 6.345 -8.342 4.787 1.00 0.00 H new ATOM 0 HA LEU A 60 6.766 -7.005 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.451 -7.706 5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.994 -7.448 7.096 1.00 0.00 H new ATOM 0 HG LEU A 60 4.109 -5.499 5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.167 -3.900 7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.144 -5.311 7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.773 -5.192 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.097 -4.098 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.803 -5.391 6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.518 -5.663 4.903 1.00 0.00 H new ATOM 890 N PRO A 61 6.130 -8.138 9.234 1.00 0.00 N ATOM 891 CA PRO A 61 5.970 -8.866 10.498 1.00 0.00 C ATOM 892 C PRO A 61 4.610 -9.545 10.615 1.00 0.00 C ATOM 893 O PRO A 61 3.827 -9.561 9.667 1.00 0.00 O ATOM 894 CB PRO A 61 6.116 -7.774 11.557 1.00 0.00 C ATOM 895 CG PRO A 61 6.963 -6.735 10.911 1.00 0.00 C ATOM 896 CD PRO A 61 6.612 -6.761 9.449 1.00 0.00 C ATOM 0 HA PRO A 61 6.696 -9.674 10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.146 -7.371 11.847 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.584 -8.160 12.463 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.770 -5.752 11.341 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.022 -6.946 11.062 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.845 -6.025 9.207 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.477 -6.537 8.825 1.00 0.00 H new ATOM 904 N GLU A 62 4.337 -10.107 11.788 1.00 0.00 N ATOM 905 CA GLU A 62 3.076 -10.785 12.038 1.00 0.00 C ATOM 906 C GLU A 62 1.901 -9.877 11.745 1.00 0.00 C ATOM 907 O GLU A 62 2.060 -8.815 11.151 1.00 0.00 O ATOM 908 CB GLU A 62 3.010 -11.273 13.487 1.00 0.00 C ATOM 909 CG GLU A 62 2.844 -10.152 14.500 1.00 0.00 C ATOM 910 CD GLU A 62 3.291 -10.553 15.892 1.00 0.00 C ATOM 911 OE1 GLU A 62 4.311 -11.264 16.008 1.00 0.00 O ATOM 912 OE2 GLU A 62 2.618 -10.158 16.868 1.00 0.00 O ATOM 0 H GLU A 62 4.977 -10.105 12.582 1.00 0.00 H new ATOM 0 HA GLU A 62 3.021 -11.644 11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.178 -11.970 13.589 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.920 -11.827 13.717 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.418 -9.285 14.174 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.798 -9.848 14.532 1.00 0.00 H new ATOM 919 N ASN A 63 0.725 -10.328 12.153 1.00 0.00 N ATOM 920 CA ASN A 63 -0.508 -9.606 11.941 1.00 0.00 C ATOM 921 C ASN A 63 -0.328 -8.105 12.136 1.00 0.00 C ATOM 922 O ASN A 63 -0.828 -7.527 13.100 1.00 0.00 O ATOM 923 CB ASN A 63 -1.591 -10.128 12.889 1.00 0.00 C ATOM 924 CG ASN A 63 -2.876 -9.326 12.800 1.00 0.00 C ATOM 925 OD1 ASN A 63 -3.568 -9.131 13.800 1.00 0.00 O ATOM 926 ND2 ASN A 63 -3.201 -8.857 11.601 1.00 0.00 N ATOM 0 H ASN A 63 0.605 -11.214 12.644 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.813 -9.772 10.908 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.801 -11.172 12.656 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.218 -10.099 13.913 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.054 -8.311 11.481 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.598 -9.043 10.800 1.00 0.00 H new ATOM 933 N THR A 64 0.391 -7.481 11.215 1.00 0.00 N ATOM 934 CA THR A 64 0.644 -6.048 11.279 1.00 0.00 C ATOM 935 C THR A 64 -0.177 -5.304 10.238 1.00 0.00 C ATOM 936 O THR A 64 -0.402 -5.805 9.137 1.00 0.00 O ATOM 937 CB THR A 64 2.132 -5.762 11.069 1.00 0.00 C ATOM 938 OG1 THR A 64 2.612 -6.433 9.916 1.00 0.00 O ATOM 939 CG2 THR A 64 2.994 -6.182 12.238 1.00 0.00 C ATOM 0 H THR A 64 0.812 -7.946 10.411 1.00 0.00 H new ATOM 0 HA THR A 64 0.348 -5.697 12.268 1.00 0.00 H new ATOM 0 HB THR A 64 2.206 -4.680 10.957 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.665 -7.395 10.096 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.037 -5.951 12.023 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.680 -5.645 13.133 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.887 -7.254 12.402 1.00 0.00 H new ATOM 947 N THR A 65 -0.627 -4.107 10.593 1.00 0.00 N ATOM 948 CA THR A 65 -1.427 -3.297 9.687 1.00 0.00 C ATOM 949 C THR A 65 -0.541 -2.523 8.721 1.00 0.00 C ATOM 950 O THR A 65 -0.259 -1.342 8.925 1.00 0.00 O ATOM 951 CB THR A 65 -2.291 -2.322 10.477 1.00 0.00 C ATOM 952 OG1 THR A 65 -2.468 -2.768 11.809 1.00 0.00 O ATOM 953 CG2 THR A 65 -3.663 -2.110 9.875 1.00 0.00 C ATOM 0 H THR A 65 -0.451 -3.677 11.501 1.00 0.00 H new ATOM 0 HA THR A 65 -2.067 -3.967 9.113 1.00 0.00 H new ATOM 0 HB THR A 65 -1.751 -1.375 10.449 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.024 -2.126 12.298 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.224 -1.405 10.488 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.560 -1.711 8.866 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.195 -3.061 9.837 1.00 0.00 H new ATOM 961 N LYS A 66 -0.121 -3.192 7.660 1.00 0.00 N ATOM 962 CA LYS A 66 0.715 -2.576 6.647 1.00 0.00 C ATOM 963 C LYS A 66 -0.063 -1.479 5.934 1.00 0.00 C ATOM 964 O LYS A 66 -0.841 -1.751 5.025 1.00 0.00 O ATOM 965 CB LYS A 66 1.198 -3.641 5.657 1.00 0.00 C ATOM 966 CG LYS A 66 1.600 -3.091 4.301 1.00 0.00 C ATOM 967 CD LYS A 66 2.862 -2.257 4.390 1.00 0.00 C ATOM 968 CE LYS A 66 3.626 -2.278 3.077 1.00 0.00 C ATOM 969 NZ LYS A 66 2.713 -2.187 1.906 1.00 0.00 N ATOM 0 H LYS A 66 -0.348 -4.170 7.479 1.00 0.00 H new ATOM 0 HA LYS A 66 1.588 -2.125 7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.049 -4.165 6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.407 -4.378 5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.756 -3.915 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.789 -2.484 3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.605 -1.230 4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.497 -2.637 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.331 -1.447 3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.211 -3.195 3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.110 -2.731 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.782 -2.575 2.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.608 -1.191 1.625 1.00 0.00 H new ATOM 983 N THR A 67 0.125 -0.246 6.372 1.00 0.00 N ATOM 984 CA THR A 67 -0.577 0.875 5.792 1.00 0.00 C ATOM 985 C THR A 67 0.267 1.613 4.760 1.00 0.00 C ATOM 986 O THR A 67 1.342 2.124 5.068 1.00 0.00 O ATOM 987 CB THR A 67 -1.019 1.815 6.904 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.719 2.930 6.379 1.00 0.00 O ATOM 989 CG2 THR A 67 0.118 2.337 7.743 1.00 0.00 C ATOM 0 H THR A 67 0.761 -0.000 7.130 1.00 0.00 H new ATOM 0 HA THR A 67 -1.450 0.495 5.262 1.00 0.00 H new ATOM 0 HB THR A 67 -1.665 1.211 7.541 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.561 2.629 5.978 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.274 3.000 8.514 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.638 1.501 8.212 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.814 2.888 7.110 1.00 0.00 H new ATOM 997 N LEU A 68 -0.237 1.657 3.535 1.00 0.00 N ATOM 998 CA LEU A 68 0.430 2.323 2.429 1.00 0.00 C ATOM 999 C LEU A 68 0.004 3.788 2.344 1.00 0.00 C ATOM 1000 O LEU A 68 -0.963 4.117 1.664 1.00 0.00 O ATOM 1001 CB LEU A 68 0.078 1.613 1.115 1.00 0.00 C ATOM 1002 CG LEU A 68 1.169 0.720 0.529 1.00 0.00 C ATOM 1003 CD1 LEU A 68 0.613 -0.655 0.209 1.00 0.00 C ATOM 1004 CD2 LEU A 68 1.764 1.355 -0.712 1.00 0.00 C ATOM 0 H LEU A 68 -1.127 1.228 3.280 1.00 0.00 H new ATOM 0 HA LEU A 68 1.506 2.281 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.813 1.006 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.183 2.369 0.374 1.00 0.00 H new ATOM 0 HG LEU A 68 1.960 0.608 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.403 -1.279 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.231 -1.114 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.195 -0.561 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.540 0.705 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.983 1.496 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.198 2.321 -0.454 1.00 0.00 H new ATOM 1016 N THR A 69 0.732 4.667 3.031 1.00 0.00 N ATOM 1017 CA THR A 69 0.415 6.092 3.013 1.00 0.00 C ATOM 1018 C THR A 69 1.113 6.781 1.844 1.00 0.00 C ATOM 1019 O THR A 69 2.302 7.088 1.914 1.00 0.00 O ATOM 1020 CB THR A 69 0.824 6.752 4.335 1.00 0.00 C ATOM 1021 OG1 THR A 69 -0.121 6.471 5.348 1.00 0.00 O ATOM 1022 CG2 THR A 69 0.959 8.260 4.246 1.00 0.00 C ATOM 0 H THR A 69 1.539 4.419 3.603 1.00 0.00 H new ATOM 0 HA THR A 69 -0.663 6.200 2.889 1.00 0.00 H new ATOM 0 HB THR A 69 1.801 6.331 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.079 5.520 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.251 8.657 5.218 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.719 8.514 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.004 8.694 3.948 1.00 0.00 H new ATOM 1030 N PHE A 70 0.367 7.018 0.769 1.00 0.00 N ATOM 1031 CA PHE A 70 0.917 7.666 -0.408 1.00 0.00 C ATOM 1032 C PHE A 70 1.079 9.165 -0.194 1.00 0.00 C ATOM 1033 O PHE A 70 0.121 9.929 -0.330 1.00 0.00 O ATOM 1034 CB PHE A 70 0.000 7.427 -1.608 1.00 0.00 C ATOM 1035 CG PHE A 70 0.069 6.038 -2.177 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -0.501 4.971 -1.507 1.00 0.00 C ATOM 1037 CD2 PHE A 70 0.700 5.803 -3.386 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -0.447 3.694 -2.032 1.00 0.00 C ATOM 1039 CE2 PHE A 70 0.760 4.531 -3.916 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.184 3.474 -3.238 1.00 0.00 C ATOM 0 H PHE A 70 -0.619 6.770 0.693 1.00 0.00 H new ATOM 0 HA PHE A 70 1.901 7.236 -0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.028 7.634 -1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.255 8.140 -2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.995 5.138 -0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.151 6.626 -3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.898 2.870 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.257 4.361 -4.860 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.228 2.477 -3.652 1.00 0.00 H new ATOM 1050 N ASP A 71 2.300 9.593 0.111 1.00 0.00 N ATOM 1051 CA ASP A 71 2.575 11.002 0.309 1.00 0.00 C ATOM 1052 C ASP A 71 2.514 11.742 -1.019 1.00 0.00 C ATOM 1053 O ASP A 71 3.485 11.765 -1.777 1.00 0.00 O ATOM 1054 CB ASP A 71 3.941 11.207 0.968 1.00 0.00 C ATOM 1055 CG ASP A 71 4.696 9.915 1.223 1.00 0.00 C ATOM 1056 OD1 ASP A 71 4.128 9.015 1.876 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.854 9.804 0.769 1.00 0.00 O ATOM 0 H ASP A 71 3.109 8.982 0.225 1.00 0.00 H new ATOM 0 HA ASP A 71 1.813 11.407 0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.548 11.853 0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.803 11.730 1.915 1.00 0.00 H new ATOM 1062 N PHE A 72 1.364 12.348 -1.293 1.00 0.00 N ATOM 1063 CA PHE A 72 1.153 13.100 -2.528 1.00 0.00 C ATOM 1064 C PHE A 72 1.603 14.545 -2.348 1.00 0.00 C ATOM 1065 O PHE A 72 1.183 15.433 -3.088 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.324 13.069 -2.910 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.633 12.220 -4.111 1.00 0.00 C ATOM 1068 CD1 PHE A 72 -0.566 12.756 -5.387 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.998 10.894 -3.961 1.00 0.00 C ATOM 1070 CE1 PHE A 72 -0.855 11.982 -6.493 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -1.288 10.118 -5.062 1.00 0.00 C ATOM 1072 CZ PHE A 72 -1.218 10.662 -6.329 1.00 0.00 C ATOM 0 H PHE A 72 0.556 12.333 -0.671 1.00 0.00 H new ATOM 0 HA PHE A 72 1.741 12.640 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.899 12.700 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.659 14.088 -3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.285 13.790 -5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.056 10.463 -2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.797 12.409 -7.483 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.570 9.083 -4.934 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.448 10.054 -7.191 1.00 0.00 H new ATOM 1082 N GLY A 73 2.447 14.778 -1.347 1.00 0.00 N ATOM 1083 CA GLY A 73 2.924 16.118 -1.080 1.00 0.00 C ATOM 1084 C GLY A 73 1.841 17.009 -0.502 1.00 0.00 C ATOM 1085 O GLY A 73 2.086 18.173 -0.188 1.00 0.00 O ATOM 0 H GLY A 73 2.808 14.061 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.762 16.071 -0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.300 16.559 -2.004 1.00 0.00 H new ATOM 1089 N VAL A 74 0.639 16.455 -0.361 1.00 0.00 N ATOM 1090 CA VAL A 74 -0.484 17.201 0.176 1.00 0.00 C ATOM 1091 C VAL A 74 -0.767 16.800 1.619 1.00 0.00 C ATOM 1092 O VAL A 74 -0.935 17.656 2.489 1.00 0.00 O ATOM 1093 CB VAL A 74 -1.754 16.976 -0.660 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -1.541 17.467 -2.083 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.151 15.508 -0.650 1.00 0.00 C ATOM 0 H VAL A 74 0.423 15.491 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.212 18.256 0.139 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.568 17.548 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.448 17.302 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.308 18.532 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.714 16.920 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.052 15.371 -1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.343 14.910 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.343 15.190 0.375 1.00 0.00 H new ATOM 1105 N GLY A 75 -0.823 15.495 1.867 1.00 0.00 N ATOM 1106 CA GLY A 75 -1.089 15.004 3.207 1.00 0.00 C ATOM 1107 C GLY A 75 -2.570 14.919 3.515 1.00 0.00 C ATOM 1108 O GLY A 75 -3.044 13.925 4.063 1.00 0.00 O ATOM 0 H GLY A 75 -0.689 14.769 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.641 14.017 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.608 15.661 3.932 1.00 0.00 H new ATOM 1112 N THR A 76 -3.291 15.967 3.158 1.00 0.00 N ATOM 1113 CA THR A 76 -4.729 16.027 3.393 1.00 0.00 C ATOM 1114 C THR A 76 -5.449 14.884 2.682 1.00 0.00 C ATOM 1115 O THR A 76 -6.060 14.029 3.322 1.00 0.00 O ATOM 1116 CB THR A 76 -5.287 17.368 2.918 1.00 0.00 C ATOM 1117 OG1 THR A 76 -4.571 18.443 3.498 1.00 0.00 O ATOM 1118 CG2 THR A 76 -6.751 17.560 3.253 1.00 0.00 C ATOM 0 H THR A 76 -2.905 16.794 2.702 1.00 0.00 H new ATOM 0 HA THR A 76 -4.900 15.927 4.465 1.00 0.00 H new ATOM 0 HB THR A 76 -5.176 17.358 1.834 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.942 19.293 3.180 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.083 18.532 2.888 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.339 16.774 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.886 17.513 4.334 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.374 14.878 1.354 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.021 13.845 0.558 1.00 0.00 C ATOM 1128 C LYS A 77 -5.121 12.623 0.402 1.00 0.00 C ATOM 1129 O LYS A 77 -5.414 11.721 -0.375 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.404 14.392 -0.810 1.00 0.00 C ATOM 1131 CG LYS A 77 -6.955 15.808 -0.770 1.00 0.00 C ATOM 1132 CD LYS A 77 -8.295 15.905 -1.482 1.00 0.00 C ATOM 1133 CE LYS A 77 -9.420 16.236 -0.513 1.00 0.00 C ATOM 1134 NZ LYS A 77 -10.273 15.051 -0.230 1.00 0.00 N ATOM 0 H LYS A 77 -4.871 15.578 0.808 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.925 13.536 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.528 14.371 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.149 13.735 -1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.069 16.126 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.244 16.490 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.242 16.671 -2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.511 14.961 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.998 16.611 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.034 17.035 -0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.028 15.317 0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.696 14.708 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.692 14.298 0.190 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.025 12.600 1.154 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.082 11.487 1.102 1.00 0.00 C ATOM 1150 C ASN A 78 -3.816 10.144 1.139 1.00 0.00 C ATOM 1151 O ASN A 78 -4.228 9.675 2.201 1.00 0.00 O ATOM 1152 CB ASN A 78 -2.090 11.589 2.268 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.510 10.246 2.679 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.320 9.978 3.866 1.00 0.00 O ATOM 1155 ND2 ASN A 78 -1.229 9.395 1.700 1.00 0.00 N ATOM 0 H ASN A 78 -3.767 13.340 1.807 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.533 11.542 0.162 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.277 12.258 1.987 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.591 12.039 3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.840 8.478 1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.402 9.658 0.730 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.989 9.506 -0.025 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.675 8.220 -0.120 1.00 0.00 C ATOM 1164 C PRO A 79 -3.864 7.085 0.496 1.00 0.00 C ATOM 1165 O PRO A 79 -2.955 6.537 -0.127 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.846 7.992 -1.628 1.00 0.00 C ATOM 1167 CG PRO A 79 -4.478 9.288 -2.278 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.537 9.980 -1.334 1.00 0.00 C ATOM 0 HA PRO A 79 -5.619 8.233 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.204 7.183 -1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.872 7.711 -1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.004 9.117 -3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.363 9.897 -2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.499 9.710 -1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.605 11.065 -1.417 1.00 0.00 H new ATOM 1176 N LYS A 80 -4.201 6.744 1.734 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.513 5.672 2.443 1.00 0.00 C ATOM 1178 C LYS A 80 -4.120 4.319 2.075 1.00 0.00 C ATOM 1179 O LYS A 80 -5.230 4.252 1.553 1.00 0.00 O ATOM 1180 CB LYS A 80 -3.602 5.893 3.954 1.00 0.00 C ATOM 1181 CG LYS A 80 -2.646 5.024 4.753 1.00 0.00 C ATOM 1182 CD LYS A 80 -2.592 5.452 6.209 1.00 0.00 C ATOM 1183 CE LYS A 80 -3.759 4.886 7.002 1.00 0.00 C ATOM 1184 NZ LYS A 80 -4.912 5.827 7.045 1.00 0.00 N ATOM 0 H LYS A 80 -4.945 7.194 2.267 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.464 5.678 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.396 6.941 4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.622 5.694 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.960 3.982 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.648 5.083 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.654 5.118 6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.604 6.540 6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.077 3.943 6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.433 4.665 8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.165 6.021 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.652 6.717 6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.726 5.401 6.557 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.381 3.248 2.345 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.845 1.904 2.041 1.00 0.00 C ATOM 1200 C LEU A 81 -3.587 0.960 3.208 1.00 0.00 C ATOM 1201 O LEU A 81 -2.538 0.331 3.287 1.00 0.00 O ATOM 1202 CB LEU A 81 -3.146 1.381 0.788 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.966 1.481 -0.485 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.280 2.404 -1.478 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.183 0.100 -1.085 1.00 0.00 C ATOM 0 H LEU A 81 -2.457 3.288 2.775 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.920 1.947 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.217 1.934 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.875 0.337 0.948 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.942 1.902 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.877 2.468 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.177 3.397 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.293 2.010 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.773 0.188 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.218 -0.351 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.713 -0.528 -0.370 1.00 0.00 H new ATOM 1217 N THR A 82 -4.541 0.871 4.121 1.00 0.00 N ATOM 1218 CA THR A 82 -4.379 0.009 5.286 1.00 0.00 C ATOM 1219 C THR A 82 -4.424 -1.470 4.916 1.00 0.00 C ATOM 1220 O THR A 82 -5.455 -2.131 5.061 1.00 0.00 O ATOM 1221 CB THR A 82 -5.434 0.317 6.353 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.744 -0.841 7.104 1.00 0.00 O ATOM 1223 CG2 THR A 82 -6.731 0.859 5.796 1.00 0.00 C ATOM 0 H THR A 82 -5.426 1.377 4.082 1.00 0.00 H new ATOM 0 HA THR A 82 -3.392 0.220 5.697 1.00 0.00 H new ATOM 0 HB THR A 82 -4.981 1.088 6.976 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.204 -1.489 6.531 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.426 1.052 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.537 1.787 5.259 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.167 0.129 5.114 1.00 0.00 H new ATOM 1231 N ILE A 83 -3.286 -1.991 4.459 1.00 0.00 N ATOM 1232 CA ILE A 83 -3.169 -3.389 4.102 1.00 0.00 C ATOM 1233 C ILE A 83 -2.654 -4.182 5.307 1.00 0.00 C ATOM 1234 O ILE A 83 -1.629 -3.841 5.900 1.00 0.00 O ATOM 1235 CB ILE A 83 -2.252 -3.583 2.865 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -1.162 -4.628 3.116 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -1.628 -2.271 2.412 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -0.376 -4.982 1.872 1.00 0.00 C ATOM 0 H ILE A 83 -2.429 -1.453 4.329 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.154 -3.765 3.827 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.893 -3.951 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.477 -4.253 3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.620 -5.532 3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.994 -2.450 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.416 -1.566 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.027 -1.855 3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.380 -5.727 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.051 -5.386 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.110 -4.088 1.482 1.00 0.00 H new ATOM 1250 N THR A 84 -3.396 -5.217 5.693 1.00 0.00 N ATOM 1251 CA THR A 84 -3.037 -6.024 6.855 1.00 0.00 C ATOM 1252 C THR A 84 -2.294 -7.295 6.468 1.00 0.00 C ATOM 1253 O THR A 84 -2.777 -8.098 5.675 1.00 0.00 O ATOM 1254 CB THR A 84 -4.293 -6.383 7.650 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.384 -5.566 7.261 1.00 0.00 O ATOM 1256 CG2 THR A 84 -4.117 -6.229 9.147 1.00 0.00 C ATOM 0 H THR A 84 -4.248 -5.516 5.219 1.00 0.00 H new ATOM 0 HA THR A 84 -2.366 -5.425 7.470 1.00 0.00 H new ATOM 0 HB THR A 84 -4.486 -7.432 7.427 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.178 -5.812 7.780 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.044 -6.499 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.314 -6.883 9.488 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.866 -5.194 9.379 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.120 -7.472 7.062 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.295 -8.647 6.810 1.00 0.00 C ATOM 1266 C VAL A 85 -0.344 -9.599 8.002 1.00 0.00 C ATOM 1267 O VAL A 85 0.263 -9.338 9.040 1.00 0.00 O ATOM 1268 CB VAL A 85 1.171 -8.269 6.535 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.573 -8.667 5.124 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.405 -6.781 6.760 1.00 0.00 C ATOM 0 H VAL A 85 -0.716 -6.812 7.726 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.700 -9.136 5.924 1.00 0.00 H new ATOM 0 HB VAL A 85 1.796 -8.818 7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.613 -8.391 4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.459 -9.744 5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.936 -8.152 4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.449 -6.542 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.766 -6.207 6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.168 -6.528 7.793 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.080 -10.699 7.856 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.207 -11.679 8.931 1.00 0.00 C ATOM 1282 C LEU A 86 -0.672 -13.044 8.504 1.00 0.00 C ATOM 1283 O LEU A 86 -1.404 -13.860 7.950 1.00 0.00 O ATOM 1284 CB LEU A 86 -2.667 -11.804 9.365 1.00 0.00 C ATOM 1285 CG LEU A 86 -3.563 -10.620 8.999 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -4.071 -10.753 7.572 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.726 -10.508 9.972 1.00 0.00 C ATOM 0 H LEU A 86 -1.595 -10.933 7.007 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.611 -11.328 9.773 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.085 -12.706 8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.697 -11.940 10.446 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.969 -9.708 9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.707 -9.901 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.225 -10.780 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.646 -11.674 7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.352 -9.660 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.318 -11.422 9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.343 -10.361 10.982 1.00 0.00 H new