USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 40:sc= 0.128! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -10.1! C(o=-16!,f=-10!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -169:sc= -0.683! (180deg=-1.57!) USER MOD Set 2.2: A 103 THR OG1 : rot -128:sc= -6.21! USER MOD Set 3.1: A 40 HIS :FLIP no HD1:sc= 0.578 F(o=-0.92,f=1.8) USER MOD Set 3.2: A 74 SER OG : rot 98:sc= 1.19 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 145:sc= -0.327 (180deg=-2.72!) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= -0.0818 (180deg=-0.579) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.42! C(o=-2.3!,f=-1.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.71 F(o=-5.3!,f=-1.7) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -123:sc= -2.93! (180deg=-6.84!) USER MOD Single : A 41 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 45 CYS SG : rot 32:sc= -0.692! USER MOD Single : A 47 GLN :FLIP amide:sc= -2.7! C(o=-5.2!,f=-2.7!) USER MOD Single : A 57 LYS NZ :NH3+ 126:sc= -1.94! (180deg=-2.7) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.425! C(o=-9.8!,f=-0.43!) USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= -0.0243 (180deg=-0.218) USER MOD Single : A 67 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.13) USER MOD Single : A 68 HIS : no HD1:sc= -0.945 K(o=-0.95,f=-5.2!) USER MOD Single : A 70 THR OG1 : rot 106:sc= -5.13! USER MOD Single : A 77 TYR OH : rot 130:sc= -0.354 USER MOD Single : A 80 HIS : no HD1:sc= -5.05! C(o=-5.1!,f=-7.6!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -170:sc= -3.44 USER MOD Single : A 85 LYS NZ :NH3+ 154:sc= -0.0782 (180deg=-0.631) USER MOD Single : A 89 SER OG : rot -70:sc= 1.29 USER MOD Single : A 90 LYS NZ :NH3+ -155:sc= -0.469 (180deg=-1.08) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00885 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 167:sc= 1.52 (180deg=1.27) USER MOD Single : A 118 GLN : amide:sc= -0.44 X(o=-0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.797 -7.973 86.008 1.00 0.00 N ATOM 44 CA LYS A 4 -6.499 -7.480 87.380 1.00 0.00 C ATOM 45 C LYS A 4 -5.968 -8.628 88.243 1.00 0.00 C ATOM 46 O LYS A 4 -4.840 -8.607 88.695 1.00 0.00 O ATOM 47 CB LYS A 4 -7.783 -6.921 87.996 1.00 0.00 C ATOM 48 CG LYS A 4 -8.215 -5.673 87.220 1.00 0.00 C ATOM 49 CD LYS A 4 -9.516 -5.122 87.808 1.00 0.00 C ATOM 50 CE LYS A 4 -10.045 -4.002 86.910 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.421 -3.628 87.342 1.00 0.00 N ATOM 0 HA LYS A 4 -5.742 -6.698 87.332 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.572 -7.673 87.966 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.619 -6.673 89.045 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.433 -4.915 87.268 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.356 -5.919 86.167 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.257 -5.918 87.890 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.341 -4.744 88.815 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.387 -3.135 86.965 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.055 -4.329 85.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.781 -2.867 86.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.045 -4.456 87.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.398 -3.300 88.329 1.00 0.00 H new ATOM 65 N GLU A 5 -6.773 -9.627 88.482 1.00 0.00 N ATOM 66 CA GLU A 5 -6.316 -10.771 89.324 1.00 0.00 C ATOM 67 C GLU A 5 -4.915 -11.220 88.892 1.00 0.00 C ATOM 68 O GLU A 5 -4.144 -11.718 89.688 1.00 0.00 O ATOM 69 CB GLU A 5 -7.293 -11.939 89.171 1.00 0.00 C ATOM 70 CG GLU A 5 -7.080 -12.933 90.314 1.00 0.00 C ATOM 71 CD GLU A 5 -8.109 -14.060 90.210 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.256 -13.821 90.549 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.732 -15.143 89.794 1.00 0.00 O ATOM 0 H GLU A 5 -7.728 -9.701 88.131 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.282 -10.452 90.366 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.319 -11.572 89.180 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.139 -12.433 88.212 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.071 -13.343 90.270 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.177 -12.426 91.274 1.00 0.00 H new ATOM 80 N PHE A 6 -4.577 -11.056 87.640 1.00 0.00 N ATOM 81 CA PHE A 6 -3.226 -11.484 87.177 1.00 0.00 C ATOM 82 C PHE A 6 -2.167 -10.545 87.755 1.00 0.00 C ATOM 83 O PHE A 6 -1.393 -10.930 88.604 1.00 0.00 O ATOM 84 CB PHE A 6 -3.159 -11.457 85.649 1.00 0.00 C ATOM 85 CG PHE A 6 -1.861 -12.085 85.194 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.608 -13.438 85.454 1.00 0.00 C ATOM 87 CD2 PHE A 6 -0.909 -11.314 84.514 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.406 -14.019 85.036 1.00 0.00 C ATOM 89 CE2 PHE A 6 0.293 -11.896 84.096 1.00 0.00 C ATOM 90 CZ PHE A 6 0.545 -13.249 84.356 1.00 0.00 C ATOM 0 H PHE A 6 -5.175 -10.646 86.922 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.038 -12.501 87.520 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.006 -11.998 85.227 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.225 -10.430 85.289 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.342 -14.033 85.978 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.103 -10.271 84.313 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.212 -15.062 85.238 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.027 -11.301 83.572 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.472 -13.698 84.032 1.00 0.00 H new ATOM 100 N MET A 7 -2.114 -9.323 87.303 1.00 0.00 N ATOM 101 CA MET A 7 -1.091 -8.382 87.845 1.00 0.00 C ATOM 102 C MET A 7 -1.246 -8.282 89.367 1.00 0.00 C ATOM 103 O MET A 7 -0.278 -8.256 90.099 1.00 0.00 O ATOM 104 CB MET A 7 -1.268 -6.997 87.207 1.00 0.00 C ATOM 105 CG MET A 7 -2.355 -6.209 87.942 1.00 0.00 C ATOM 106 SD MET A 7 -2.802 -4.746 86.972 1.00 0.00 S ATOM 107 CE MET A 7 -3.574 -5.609 85.579 1.00 0.00 C ATOM 0 H MET A 7 -2.729 -8.936 86.587 1.00 0.00 H new ATOM 0 HA MET A 7 -0.094 -8.754 87.609 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.326 -6.450 87.242 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.535 -7.105 86.156 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.232 -6.837 88.097 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.999 -5.910 88.928 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.412 -5.020 85.205 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.841 -5.743 84.783 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.934 -6.583 85.909 1.00 0.00 H new ATOM 117 N TRP A 8 -2.461 -8.229 89.846 1.00 0.00 N ATOM 118 CA TRP A 8 -2.686 -8.135 91.316 1.00 0.00 C ATOM 119 C TRP A 8 -1.861 -9.207 92.027 1.00 0.00 C ATOM 120 O TRP A 8 -1.550 -9.096 93.200 1.00 0.00 O ATOM 121 CB TRP A 8 -4.171 -8.354 91.612 1.00 0.00 C ATOM 122 CG TRP A 8 -4.483 -7.863 92.987 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.447 -8.618 94.108 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.876 -6.525 93.404 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.793 -7.828 95.188 1.00 0.00 N ATOM 126 CE2 TRP A 8 -5.066 -6.531 94.805 1.00 0.00 C ATOM 127 CE3 TRP A 8 -5.083 -5.319 92.710 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -5.448 -5.380 95.494 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -5.468 -4.159 93.400 1.00 0.00 C ATOM 130 CH2 TRP A 8 -5.650 -4.190 94.790 1.00 0.00 C ATOM 0 H TRP A 8 -3.309 -8.247 89.279 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.383 -7.150 91.672 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.781 -7.826 90.879 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.417 -9.413 91.528 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.190 -9.666 94.152 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.841 -8.163 96.150 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.945 -5.286 91.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.587 -5.408 96.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.625 -3.238 92.858 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.946 -3.295 95.316 1.00 0.00 H new ATOM 141 N ALA A 9 -1.511 -10.248 91.326 1.00 0.00 N ATOM 142 CA ALA A 9 -0.712 -11.338 91.943 1.00 0.00 C ATOM 143 C ALA A 9 0.780 -11.011 91.845 1.00 0.00 C ATOM 144 O ALA A 9 1.480 -11.007 92.838 1.00 0.00 O ATOM 145 CB ALA A 9 -1.003 -12.662 91.234 1.00 0.00 C ATOM 0 H ALA A 9 -1.747 -10.390 90.344 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.987 -11.429 92.994 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.414 -13.457 91.691 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.063 -12.898 91.325 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.740 -12.576 90.180 1.00 0.00 H new ATOM 151 N LEU A 10 1.283 -10.726 90.668 1.00 0.00 N ATOM 152 CA LEU A 10 2.727 -10.385 90.554 1.00 0.00 C ATOM 153 C LEU A 10 3.037 -9.281 91.566 1.00 0.00 C ATOM 154 O LEU A 10 4.176 -9.001 91.883 1.00 0.00 O ATOM 155 CB LEU A 10 3.029 -9.836 89.151 1.00 0.00 C ATOM 156 CG LEU A 10 2.978 -10.950 88.092 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.663 -10.862 87.315 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.144 -10.775 87.113 1.00 0.00 C ATOM 0 H LEU A 10 0.759 -10.716 89.793 1.00 0.00 H new ATOM 0 HA LEU A 10 3.326 -11.277 90.737 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.307 -9.059 88.899 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.014 -9.370 89.145 1.00 0.00 H new ATOM 0 HG LEU A 10 3.049 -11.918 88.587 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.630 -11.653 86.565 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.825 -10.979 88.003 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.596 -9.892 86.823 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.110 -11.564 86.362 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.066 -9.804 86.624 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.087 -10.833 87.656 1.00 0.00 H new ATOM 170 N LYS A 11 2.007 -8.625 92.023 1.00 0.00 N ATOM 171 CA LYS A 11 2.170 -7.481 92.973 1.00 0.00 C ATOM 172 C LYS A 11 2.139 -7.918 94.443 1.00 0.00 C ATOM 173 O LYS A 11 3.118 -7.806 95.152 1.00 0.00 O ATOM 174 CB LYS A 11 1.023 -6.504 92.730 1.00 0.00 C ATOM 175 CG LYS A 11 1.038 -5.405 93.794 1.00 0.00 C ATOM 176 CD LYS A 11 0.183 -4.232 93.311 1.00 0.00 C ATOM 177 CE LYS A 11 -1.301 -4.569 93.485 1.00 0.00 C ATOM 178 NZ LYS A 11 -1.637 -4.614 94.934 1.00 0.00 N ATOM 0 H LYS A 11 1.040 -8.835 91.775 1.00 0.00 H new ATOM 0 HA LYS A 11 3.145 -7.028 92.791 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.115 -6.062 91.738 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.071 -7.034 92.756 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.651 -5.789 94.738 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.060 -5.075 93.980 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.430 -3.333 93.875 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.397 -4.020 92.263 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.915 -3.822 92.982 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.523 -5.530 93.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.657 -4.452 95.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.384 -5.546 95.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.105 -3.875 95.437 1.00 0.00 H new ATOM 192 N ASN A 12 1.007 -8.360 94.918 1.00 0.00 N ATOM 193 CA ASN A 12 0.893 -8.739 96.356 1.00 0.00 C ATOM 194 C ASN A 12 1.534 -10.098 96.604 1.00 0.00 C ATOM 195 O ASN A 12 1.311 -10.725 97.621 1.00 0.00 O ATOM 196 CB ASN A 12 -0.583 -8.804 96.727 1.00 0.00 C ATOM 197 CG ASN A 12 -0.728 -9.211 98.193 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.673 -8.295 99.121 1.00 0.00 O flip ATOM 199 ND2 ASN A 12 -0.893 -10.375 98.497 1.00 0.00 N flip ATOM 0 H ASN A 12 0.154 -8.475 94.371 1.00 0.00 H new ATOM 0 HA ASN A 12 1.408 -7.996 96.965 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.053 -7.835 96.560 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.097 -9.522 96.088 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.936 -11.090 97.771 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.989 -10.637 99.478 1.00 0.00 H new ATOM 206 N GLY A 13 2.347 -10.550 95.703 1.00 0.00 N ATOM 207 CA GLY A 13 3.019 -11.850 95.904 1.00 0.00 C ATOM 208 C GLY A 13 2.009 -12.995 95.897 1.00 0.00 C ATOM 209 O GLY A 13 2.301 -14.073 96.373 1.00 0.00 O ATOM 0 H GLY A 13 2.576 -10.072 94.832 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.758 -12.007 95.118 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.558 -11.842 96.851 1.00 0.00 H new ATOM 213 N ASP A 14 0.839 -12.804 95.347 1.00 0.00 N ATOM 214 CA ASP A 14 -0.117 -13.937 95.308 1.00 0.00 C ATOM 215 C ASP A 14 0.458 -14.959 94.346 1.00 0.00 C ATOM 216 O ASP A 14 -0.168 -15.390 93.397 1.00 0.00 O ATOM 217 CB ASP A 14 -1.490 -13.485 94.829 1.00 0.00 C ATOM 218 CG ASP A 14 -1.805 -12.095 95.386 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.339 -11.798 96.473 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.514 -11.356 94.722 1.00 0.00 O ATOM 0 H ASP A 14 0.513 -11.931 94.933 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.249 -14.356 96.306 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.516 -13.464 93.740 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.250 -14.197 95.152 1.00 0.00 H new ATOM 225 N LEU A 15 1.674 -15.311 94.601 1.00 0.00 N ATOM 226 CA LEU A 15 2.411 -16.276 93.764 1.00 0.00 C ATOM 227 C LEU A 15 1.526 -17.493 93.477 1.00 0.00 C ATOM 228 O LEU A 15 1.671 -18.171 92.482 1.00 0.00 O ATOM 229 CB LEU A 15 3.667 -16.666 94.557 1.00 0.00 C ATOM 230 CG LEU A 15 4.533 -17.671 93.796 1.00 0.00 C ATOM 231 CD1 LEU A 15 3.931 -19.076 93.914 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.645 -17.275 92.319 1.00 0.00 C ATOM 0 H LEU A 15 2.210 -14.952 95.391 1.00 0.00 H new ATOM 0 HA LEU A 15 2.690 -15.852 92.799 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.252 -15.772 94.772 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.373 -17.093 95.516 1.00 0.00 H new ATOM 0 HG LEU A 15 5.531 -17.670 94.234 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.554 -19.786 93.369 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.885 -19.365 94.964 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.926 -19.078 93.493 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.265 -18.002 91.794 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.651 -17.255 91.871 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.099 -16.287 92.241 1.00 0.00 H new ATOM 244 N ASP A 16 0.601 -17.765 94.343 1.00 0.00 N ATOM 245 CA ASP A 16 -0.306 -18.919 94.138 1.00 0.00 C ATOM 246 C ASP A 16 -1.196 -18.672 92.913 1.00 0.00 C ATOM 247 O ASP A 16 -1.594 -19.592 92.223 1.00 0.00 O ATOM 248 CB ASP A 16 -1.180 -19.071 95.378 1.00 0.00 C ATOM 249 CG ASP A 16 -0.325 -19.561 96.548 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.708 -18.960 96.792 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.716 -20.529 97.179 1.00 0.00 O ATOM 0 H ASP A 16 0.432 -17.231 95.195 1.00 0.00 H new ATOM 0 HA ASP A 16 0.278 -19.825 93.973 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.644 -18.117 95.628 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.987 -19.777 95.183 1.00 0.00 H new ATOM 256 N GLU A 17 -1.526 -17.434 92.652 1.00 0.00 N ATOM 257 CA GLU A 17 -2.413 -17.116 91.490 1.00 0.00 C ATOM 258 C GLU A 17 -1.627 -17.177 90.172 1.00 0.00 C ATOM 259 O GLU A 17 -2.080 -17.757 89.205 1.00 0.00 O ATOM 260 CB GLU A 17 -3.005 -15.718 91.674 1.00 0.00 C ATOM 261 CG GLU A 17 -4.120 -15.768 92.722 1.00 0.00 C ATOM 262 CD GLU A 17 -4.737 -14.378 92.880 1.00 0.00 C ATOM 263 OE1 GLU A 17 -4.366 -13.498 92.120 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.571 -14.218 93.756 1.00 0.00 O ATOM 0 H GLU A 17 -1.219 -16.626 93.194 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.214 -17.854 91.447 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.228 -15.021 91.988 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.399 -15.351 90.726 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.884 -16.484 92.421 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.721 -16.111 93.677 1.00 0.00 H new ATOM 271 N VAL A 18 -0.457 -16.598 90.116 1.00 0.00 N ATOM 272 CA VAL A 18 0.327 -16.657 88.842 1.00 0.00 C ATOM 273 C VAL A 18 0.733 -18.109 88.610 1.00 0.00 C ATOM 274 O VAL A 18 0.891 -18.557 87.492 1.00 0.00 O ATOM 275 CB VAL A 18 1.596 -15.793 88.960 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.391 -14.448 88.262 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.917 -15.567 90.438 1.00 0.00 C ATOM 0 H VAL A 18 -0.013 -16.093 90.883 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.277 -16.283 88.015 1.00 0.00 H new ATOM 0 HB VAL A 18 2.426 -16.310 88.479 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.297 -13.849 88.354 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.172 -14.615 87.207 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.558 -13.920 88.726 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.815 -14.956 90.526 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.082 -15.056 90.918 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.083 -16.528 90.925 1.00 0.00 H new ATOM 287 N LYS A 19 0.894 -18.840 89.679 1.00 0.00 N ATOM 288 CA LYS A 19 1.284 -20.272 89.580 1.00 0.00 C ATOM 289 C LYS A 19 0.265 -21.025 88.727 1.00 0.00 C ATOM 290 O LYS A 19 0.610 -21.894 87.956 1.00 0.00 O ATOM 291 CB LYS A 19 1.324 -20.861 90.994 1.00 0.00 C ATOM 292 CG LYS A 19 1.850 -22.306 90.965 1.00 0.00 C ATOM 293 CD LYS A 19 2.663 -22.584 92.242 1.00 0.00 C ATOM 294 CE LYS A 19 4.122 -22.149 92.039 1.00 0.00 C ATOM 295 NZ LYS A 19 4.970 -23.356 91.832 1.00 0.00 N ATOM 0 H LYS A 19 0.769 -18.498 90.632 1.00 0.00 H new ATOM 0 HA LYS A 19 2.264 -20.365 89.112 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.963 -20.249 91.631 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.325 -20.841 91.430 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.017 -23.006 90.892 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.473 -22.459 90.084 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.228 -22.046 93.084 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.622 -23.646 92.486 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.199 -21.484 91.179 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.471 -21.589 92.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.959 -23.066 91.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.904 -23.974 92.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.640 -23.872 90.991 1.00 0.00 H new ATOM 309 N ASP A 20 -0.985 -20.693 88.863 1.00 0.00 N ATOM 310 CA ASP A 20 -2.041 -21.380 88.067 1.00 0.00 C ATOM 311 C ASP A 20 -1.897 -21.019 86.581 1.00 0.00 C ATOM 312 O ASP A 20 -2.121 -21.833 85.702 1.00 0.00 O ATOM 313 CB ASP A 20 -3.419 -20.927 88.570 1.00 0.00 C ATOM 314 CG ASP A 20 -4.459 -22.012 88.276 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.278 -23.122 88.748 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.417 -21.714 87.581 1.00 0.00 O ATOM 0 H ASP A 20 -1.326 -19.969 89.496 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.937 -22.459 88.182 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.379 -20.729 89.641 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.705 -19.994 88.084 1.00 0.00 H new ATOM 321 N TYR A 21 -1.543 -19.797 86.296 1.00 0.00 N ATOM 322 CA TYR A 21 -1.407 -19.364 84.872 1.00 0.00 C ATOM 323 C TYR A 21 -0.349 -20.205 84.138 1.00 0.00 C ATOM 324 O TYR A 21 -0.667 -20.917 83.207 1.00 0.00 O ATOM 325 CB TYR A 21 -1.016 -17.881 84.828 1.00 0.00 C ATOM 326 CG TYR A 21 -2.261 -17.018 84.906 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.003 -16.958 86.093 1.00 0.00 C ATOM 328 CD2 TYR A 21 -2.672 -16.280 83.788 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.153 -16.159 86.161 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.821 -15.482 83.857 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.562 -15.421 85.043 1.00 0.00 C ATOM 332 OH TYR A 21 -5.693 -14.632 85.111 1.00 0.00 O ATOM 0 H TYR A 21 -1.341 -19.075 86.988 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.364 -19.510 84.370 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.348 -17.647 85.657 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.471 -17.666 83.909 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.689 -17.527 86.955 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.102 -16.327 82.872 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.724 -16.112 87.076 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.136 -14.913 82.994 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.834 -14.187 84.249 1.00 0.00 H new ATOM 342 N VAL A 22 0.901 -20.126 84.517 1.00 0.00 N ATOM 343 CA VAL A 22 1.930 -20.928 83.788 1.00 0.00 C ATOM 344 C VAL A 22 1.695 -22.422 84.033 1.00 0.00 C ATOM 345 O VAL A 22 2.247 -23.261 83.349 1.00 0.00 O ATOM 346 CB VAL A 22 3.353 -20.516 84.211 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.889 -21.464 85.289 1.00 0.00 C ATOM 348 CG2 VAL A 22 4.277 -20.576 82.987 1.00 0.00 C ATOM 0 H VAL A 22 1.250 -19.552 85.285 1.00 0.00 H new ATOM 0 HA VAL A 22 1.835 -20.730 82.720 1.00 0.00 H new ATOM 0 HB VAL A 22 3.322 -19.504 84.614 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.895 -21.158 85.575 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.237 -21.429 86.162 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.917 -22.481 84.898 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.286 -20.286 83.279 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.292 -21.592 82.592 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.910 -19.893 82.220 1.00 0.00 H new ATOM 358 N ALA A 23 0.866 -22.770 84.984 1.00 0.00 N ATOM 359 CA ALA A 23 0.597 -24.215 85.222 1.00 0.00 C ATOM 360 C ALA A 23 0.105 -24.797 83.905 1.00 0.00 C ATOM 361 O ALA A 23 0.299 -25.958 83.605 1.00 0.00 O ATOM 362 CB ALA A 23 -0.495 -24.388 86.282 1.00 0.00 C ATOM 0 H ALA A 23 0.371 -22.123 85.598 1.00 0.00 H new ATOM 0 HA ALA A 23 1.499 -24.716 85.573 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.680 -25.450 86.444 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.171 -23.929 87.216 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.412 -23.908 85.941 1.00 0.00 H new ATOM 368 N LYS A 24 -0.517 -23.977 83.106 1.00 0.00 N ATOM 369 CA LYS A 24 -1.013 -24.449 81.788 1.00 0.00 C ATOM 370 C LYS A 24 0.160 -25.019 80.987 1.00 0.00 C ATOM 371 O LYS A 24 0.363 -26.215 80.933 1.00 0.00 O ATOM 372 CB LYS A 24 -1.625 -23.266 81.030 1.00 0.00 C ATOM 373 CG LYS A 24 -3.111 -23.141 81.375 1.00 0.00 C ATOM 374 CD LYS A 24 -3.264 -22.731 82.842 1.00 0.00 C ATOM 375 CE LYS A 24 -4.750 -22.668 83.207 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.338 -21.396 82.700 1.00 0.00 N ATOM 0 H LYS A 24 -0.703 -22.996 83.312 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.768 -25.222 81.929 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.103 -22.346 81.292 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.502 -23.408 79.956 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.584 -22.401 80.729 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.617 -24.090 81.197 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.752 -23.446 83.485 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.797 -21.760 83.009 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.276 -23.520 82.777 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.872 -22.731 84.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.347 -21.356 82.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.843 -20.589 83.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.235 -21.354 81.666 1.00 0.00 H new ATOM 390 N GLY A 25 0.937 -24.170 80.373 1.00 0.00 N ATOM 391 CA GLY A 25 2.096 -24.669 79.580 1.00 0.00 C ATOM 392 C GLY A 25 2.969 -23.503 79.111 1.00 0.00 C ATOM 393 O GLY A 25 2.756 -22.945 78.054 1.00 0.00 O ATOM 0 H GLY A 25 0.821 -23.157 80.386 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.689 -25.354 80.185 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.738 -25.232 78.718 1.00 0.00 H new ATOM 397 N GLU A 26 3.954 -23.153 79.891 1.00 0.00 N ATOM 398 CA GLU A 26 4.884 -22.036 79.527 1.00 0.00 C ATOM 399 C GLU A 26 4.149 -20.922 78.773 1.00 0.00 C ATOM 400 O GLU A 26 3.858 -21.029 77.598 1.00 0.00 O ATOM 401 CB GLU A 26 6.051 -22.562 78.679 1.00 0.00 C ATOM 402 CG GLU A 26 5.567 -23.628 77.695 1.00 0.00 C ATOM 403 CD GLU A 26 6.745 -24.078 76.830 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.705 -23.331 76.738 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.669 -25.162 76.276 1.00 0.00 O ATOM 0 H GLU A 26 4.161 -23.601 80.784 1.00 0.00 H new ATOM 0 HA GLU A 26 5.277 -21.618 80.454 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.511 -21.738 78.133 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.819 -22.982 79.329 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.150 -24.478 78.235 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.771 -23.228 77.068 1.00 0.00 H new ATOM 412 N ASP A 27 3.874 -19.841 79.448 1.00 0.00 N ATOM 413 CA ASP A 27 3.185 -18.688 78.800 1.00 0.00 C ATOM 414 C ASP A 27 3.748 -17.399 79.394 1.00 0.00 C ATOM 415 O ASP A 27 3.051 -16.419 79.553 1.00 0.00 O ATOM 416 CB ASP A 27 1.681 -18.758 79.075 1.00 0.00 C ATOM 417 CG ASP A 27 1.053 -19.851 78.211 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.470 -20.990 78.337 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.167 -19.530 77.437 1.00 0.00 O ATOM 0 H ASP A 27 4.100 -19.705 80.433 1.00 0.00 H new ATOM 0 HA ASP A 27 3.348 -18.715 77.723 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.503 -18.967 80.130 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.216 -17.796 78.858 1.00 0.00 H new ATOM 424 N VAL A 28 5.008 -17.401 79.742 1.00 0.00 N ATOM 425 CA VAL A 28 5.617 -16.182 80.344 1.00 0.00 C ATOM 426 C VAL A 28 6.250 -15.315 79.253 1.00 0.00 C ATOM 427 O VAL A 28 7.456 -15.252 79.102 1.00 0.00 O ATOM 428 CB VAL A 28 6.677 -16.604 81.360 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.986 -17.278 82.549 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.657 -17.593 80.712 1.00 0.00 C ATOM 0 H VAL A 28 5.640 -18.194 79.635 1.00 0.00 H new ATOM 0 HA VAL A 28 4.844 -15.598 80.844 1.00 0.00 H new ATOM 0 HB VAL A 28 7.228 -15.726 81.698 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.735 -17.583 83.280 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.292 -16.577 83.012 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.439 -18.155 82.203 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.410 -17.890 81.442 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.113 -18.475 80.373 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.144 -17.117 79.861 1.00 0.00 H new ATOM 440 N ASN A 29 5.440 -14.638 78.497 1.00 0.00 N ATOM 441 CA ASN A 29 5.966 -13.768 77.420 1.00 0.00 C ATOM 442 C ASN A 29 4.801 -12.985 76.812 1.00 0.00 C ATOM 443 O ASN A 29 4.855 -12.533 75.686 1.00 0.00 O ATOM 444 CB ASN A 29 6.634 -14.633 76.351 1.00 0.00 C ATOM 445 CG ASN A 29 5.855 -15.936 76.190 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.002 -16.884 77.071 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.102 -16.092 75.249 1.00 0.00 N flip ATOM 0 H ASN A 29 4.424 -14.651 78.581 1.00 0.00 H new ATOM 0 HA ASN A 29 6.703 -13.072 77.821 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.667 -14.097 75.402 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.665 -14.846 76.633 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.987 -15.349 74.559 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.585 -16.965 75.149 1.00 0.00 H new ATOM 454 N ARG A 30 3.749 -12.809 77.570 1.00 0.00 N ATOM 455 CA ARG A 30 2.572 -12.043 77.078 1.00 0.00 C ATOM 456 C ARG A 30 2.592 -10.672 77.744 1.00 0.00 C ATOM 457 O ARG A 30 2.725 -10.565 78.946 1.00 0.00 O ATOM 458 CB ARG A 30 1.279 -12.767 77.468 1.00 0.00 C ATOM 459 CG ARG A 30 1.373 -14.250 77.092 1.00 0.00 C ATOM 460 CD ARG A 30 0.148 -15.004 77.635 1.00 0.00 C ATOM 461 NE ARG A 30 -0.432 -15.873 76.558 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.786 -15.379 75.399 1.00 0.00 C ATOM 463 NH1 ARG A 30 -0.732 -14.093 75.189 1.00 0.00 N ATOM 464 NH2 ARG A 30 -1.220 -16.172 74.457 1.00 0.00 N ATOM 0 H ARG A 30 3.658 -13.169 78.520 1.00 0.00 H new ATOM 0 HA ARG A 30 2.614 -11.950 75.993 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.105 -12.666 78.539 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.429 -12.309 76.962 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.427 -14.357 76.009 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.287 -14.681 77.500 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.435 -15.614 78.492 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.601 -14.294 77.985 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.553 -16.871 76.733 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.413 -13.468 75.929 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.009 -13.712 74.284 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.283 -17.176 74.625 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.496 -15.787 73.554 1.00 0.00 H new ATOM 478 N THR A 31 2.470 -9.620 76.992 1.00 0.00 N ATOM 479 CA THR A 31 2.495 -8.279 77.629 1.00 0.00 C ATOM 480 C THR A 31 1.482 -8.259 78.770 1.00 0.00 C ATOM 481 O THR A 31 0.533 -9.020 78.789 1.00 0.00 O ATOM 482 CB THR A 31 2.142 -7.190 76.615 1.00 0.00 C ATOM 483 OG1 THR A 31 3.046 -7.248 75.522 1.00 0.00 O ATOM 484 CG2 THR A 31 2.245 -5.820 77.291 1.00 0.00 C ATOM 0 H THR A 31 2.356 -9.628 75.978 1.00 0.00 H new ATOM 0 HA THR A 31 3.498 -8.083 78.008 1.00 0.00 H new ATOM 0 HB THR A 31 1.126 -7.344 76.251 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.818 -6.551 74.872 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.994 -5.040 76.572 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.552 -5.776 78.131 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.262 -5.668 77.652 1.00 0.00 H new ATOM 492 N LEU A 32 1.689 -7.410 79.732 1.00 0.00 N ATOM 493 CA LEU A 32 0.760 -7.343 80.890 1.00 0.00 C ATOM 494 C LEU A 32 -0.641 -6.930 80.427 1.00 0.00 C ATOM 495 O LEU A 32 -1.148 -7.401 79.427 1.00 0.00 O ATOM 496 CB LEU A 32 1.288 -6.310 81.893 1.00 0.00 C ATOM 497 CG LEU A 32 0.882 -6.702 83.326 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.061 -7.393 84.014 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.506 -5.446 84.113 1.00 0.00 C ATOM 0 H LEU A 32 2.469 -6.753 79.767 1.00 0.00 H new ATOM 0 HA LEU A 32 0.700 -8.326 81.358 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.374 -6.244 81.820 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.892 -5.323 81.652 1.00 0.00 H new ATOM 0 HG LEU A 32 0.028 -7.378 83.289 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.777 -7.672 85.029 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.335 -8.288 83.455 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.912 -6.712 84.049 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.219 -5.724 85.127 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.361 -4.771 84.150 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.330 -4.946 83.623 1.00 0.00 H new ATOM 511 N GLU A 33 -1.265 -6.059 81.168 1.00 0.00 N ATOM 512 CA GLU A 33 -2.637 -5.596 80.827 1.00 0.00 C ATOM 513 C GLU A 33 -2.633 -4.826 79.496 1.00 0.00 C ATOM 514 O GLU A 33 -3.616 -4.808 78.784 1.00 0.00 O ATOM 515 CB GLU A 33 -3.126 -4.707 81.984 1.00 0.00 C ATOM 516 CG GLU A 33 -3.987 -3.544 81.477 1.00 0.00 C ATOM 517 CD GLU A 33 -5.182 -4.082 80.688 1.00 0.00 C ATOM 518 OE1 GLU A 33 -5.577 -5.210 80.937 1.00 0.00 O ATOM 519 OE2 GLU A 33 -5.684 -3.355 79.846 1.00 0.00 O ATOM 0 H GLU A 33 -0.874 -5.641 82.012 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.309 -6.445 80.699 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.703 -5.308 82.687 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.268 -4.314 82.530 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.336 -2.946 82.318 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.389 -2.887 80.845 1.00 0.00 H new ATOM 526 N GLY A 34 -1.544 -4.193 79.143 1.00 0.00 N ATOM 527 CA GLY A 34 -1.523 -3.441 77.852 1.00 0.00 C ATOM 528 C GLY A 34 -0.087 -3.165 77.411 1.00 0.00 C ATOM 529 O GLY A 34 0.358 -3.644 76.388 1.00 0.00 O ATOM 0 H GLY A 34 -0.680 -4.163 79.684 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.041 -4.014 77.083 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.061 -2.500 77.965 1.00 0.00 H new ATOM 533 N GLY A 35 0.634 -2.385 78.160 1.00 0.00 N ATOM 534 CA GLY A 35 2.041 -2.065 77.768 1.00 0.00 C ATOM 535 C GLY A 35 2.942 -2.017 79.003 1.00 0.00 C ATOM 536 O GLY A 35 3.648 -1.052 79.215 1.00 0.00 O ATOM 0 H GLY A 35 0.315 -1.953 79.027 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.410 -2.816 77.070 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.072 -1.106 77.250 1.00 0.00 H new ATOM 540 N ARG A 36 2.941 -3.050 79.815 1.00 0.00 N ATOM 541 CA ARG A 36 3.820 -3.047 81.029 1.00 0.00 C ATOM 542 C ARG A 36 4.760 -4.261 81.005 1.00 0.00 C ATOM 543 O ARG A 36 5.072 -4.799 79.960 1.00 0.00 O ATOM 544 CB ARG A 36 2.978 -3.097 82.306 1.00 0.00 C ATOM 545 CG ARG A 36 1.769 -2.161 82.195 1.00 0.00 C ATOM 546 CD ARG A 36 2.235 -0.706 82.191 1.00 0.00 C ATOM 547 NE ARG A 36 1.040 0.181 82.229 1.00 0.00 N ATOM 548 CZ ARG A 36 1.175 1.455 82.474 1.00 0.00 C ATOM 549 NH1 ARG A 36 2.362 1.958 82.679 1.00 0.00 N ATOM 550 NH2 ARG A 36 0.123 2.224 82.522 1.00 0.00 N ATOM 0 H ARG A 36 2.374 -3.889 79.691 1.00 0.00 H new ATOM 0 HA ARG A 36 4.405 -2.127 81.019 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.639 -4.117 82.484 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.589 -2.810 83.162 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.214 -2.377 81.282 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.089 -2.332 83.029 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.876 -0.513 83.051 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.828 -0.502 81.299 1.00 0.00 H new ATOM 0 HE ARG A 36 0.112 -0.209 82.063 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.184 1.355 82.648 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.468 2.954 82.871 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.805 1.829 82.368 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.228 3.220 82.714 1.00 0.00 H new ATOM 564 N LYS A 37 5.244 -4.667 82.159 1.00 0.00 N ATOM 565 CA LYS A 37 6.200 -5.817 82.233 1.00 0.00 C ATOM 566 C LYS A 37 5.889 -6.690 83.474 1.00 0.00 C ATOM 567 O LYS A 37 6.200 -6.286 84.576 1.00 0.00 O ATOM 568 CB LYS A 37 7.601 -5.208 82.375 1.00 0.00 C ATOM 569 CG LYS A 37 8.667 -6.265 82.716 1.00 0.00 C ATOM 570 CD LYS A 37 8.445 -7.570 81.944 1.00 0.00 C ATOM 571 CE LYS A 37 8.502 -7.317 80.433 1.00 0.00 C ATOM 572 NZ LYS A 37 7.768 -8.403 79.733 1.00 0.00 N ATOM 0 H LYS A 37 5.014 -4.245 83.059 1.00 0.00 H new ATOM 0 HA LYS A 37 6.123 -6.448 81.347 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.873 -4.708 81.445 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.586 -4.446 83.154 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.656 -5.870 82.485 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.647 -6.469 83.787 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.205 -8.299 82.225 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.478 -7.997 82.211 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.059 -6.350 80.196 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.538 -7.284 80.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.402 -8.868 79.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.435 -9.101 80.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.953 -8.001 79.228 1.00 0.00 H new ATOM 586 N PRO A 38 5.293 -7.857 83.287 1.00 0.00 N ATOM 587 CA PRO A 38 4.967 -8.745 84.429 1.00 0.00 C ATOM 588 C PRO A 38 6.233 -9.183 85.196 1.00 0.00 C ATOM 589 O PRO A 38 6.258 -10.237 85.801 1.00 0.00 O ATOM 590 CB PRO A 38 4.273 -9.966 83.803 1.00 0.00 C ATOM 591 CG PRO A 38 4.236 -9.748 82.266 1.00 0.00 C ATOM 592 CD PRO A 38 4.887 -8.382 81.964 1.00 0.00 C ATOM 0 HA PRO A 38 4.337 -8.233 85.157 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.813 -10.881 84.047 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.263 -10.077 84.198 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.772 -10.547 81.754 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.209 -9.770 81.902 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.745 -8.491 81.301 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.185 -7.710 81.470 1.00 0.00 H new ATOM 600 N LEU A 39 7.270 -8.381 85.195 1.00 0.00 N ATOM 601 CA LEU A 39 8.517 -8.746 85.947 1.00 0.00 C ATOM 602 C LEU A 39 8.890 -7.558 86.837 1.00 0.00 C ATOM 603 O LEU A 39 9.561 -7.694 87.841 1.00 0.00 O ATOM 604 CB LEU A 39 9.656 -9.045 84.948 1.00 0.00 C ATOM 605 CG LEU A 39 10.832 -9.850 85.582 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.435 -10.565 86.874 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.321 -10.893 84.568 1.00 0.00 C ATOM 0 H LEU A 39 7.309 -7.487 84.706 1.00 0.00 H new ATOM 0 HA LEU A 39 8.355 -9.635 86.557 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.253 -9.606 84.105 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.040 -8.105 84.552 1.00 0.00 H new ATOM 0 HG LEU A 39 11.617 -9.137 85.833 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.294 -11.108 87.268 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.101 -9.832 87.608 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.626 -11.266 86.668 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.144 -11.463 85.000 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.503 -11.569 84.318 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.664 -10.389 83.664 1.00 0.00 H new ATOM 619 N HIS A 40 8.425 -6.388 86.484 1.00 0.00 N ATOM 620 CA HIS A 40 8.716 -5.184 87.305 1.00 0.00 C ATOM 621 C HIS A 40 7.895 -5.281 88.586 1.00 0.00 C ATOM 622 O HIS A 40 8.375 -5.013 89.664 1.00 0.00 O ATOM 623 CB HIS A 40 8.305 -3.932 86.527 1.00 0.00 C ATOM 624 CG HIS A 40 8.456 -2.718 87.400 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.533 -1.914 87.676 1.00 0.00 N flip ATOM 626 CD2 HIS A 40 7.394 -2.189 88.116 1.00 0.00 C flip ATOM 627 CE1 HIS A 40 9.149 -0.900 88.550 1.00 0.00 C flip ATOM 628 NE2 HIS A 40 7.851 -1.113 88.782 1.00 0.00 N flip ATOM 0 H HIS A 40 7.853 -6.218 85.657 1.00 0.00 H new ATOM 0 HA HIS A 40 9.779 -5.125 87.539 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.922 -3.828 85.634 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.272 -4.024 86.192 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.384 -2.571 88.136 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.767 -0.112 88.953 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.276 -0.530 89.390 1.00 0.00 H new ATOM 636 N TYR A 41 6.665 -5.700 88.474 1.00 0.00 N ATOM 637 CA TYR A 41 5.816 -5.851 89.687 1.00 0.00 C ATOM 638 C TYR A 41 6.403 -6.972 90.531 1.00 0.00 C ATOM 639 O TYR A 41 6.551 -6.857 91.731 1.00 0.00 O ATOM 640 CB TYR A 41 4.402 -6.241 89.271 1.00 0.00 C ATOM 641 CG TYR A 41 3.929 -5.315 88.184 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.313 -5.536 86.855 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.111 -4.232 88.508 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.872 -4.668 85.851 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.672 -3.365 87.506 1.00 0.00 C ATOM 646 CZ TYR A 41 3.051 -3.581 86.177 1.00 0.00 C ATOM 647 OH TYR A 41 2.613 -2.726 85.189 1.00 0.00 O ATOM 0 H TYR A 41 6.211 -5.944 87.594 1.00 0.00 H new ATOM 0 HA TYR A 41 5.786 -4.916 90.246 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.386 -7.272 88.918 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.731 -6.187 90.128 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.947 -6.374 86.607 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.818 -4.065 89.534 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.164 -4.836 84.825 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.039 -2.527 87.757 1.00 0.00 H new ATOM 0 HH TYR A 41 2.052 -2.027 85.586 1.00 0.00 H new ATOM 657 N ALA A 42 6.757 -8.053 89.894 1.00 0.00 N ATOM 658 CA ALA A 42 7.357 -9.185 90.635 1.00 0.00 C ATOM 659 C ALA A 42 8.692 -8.715 91.193 1.00 0.00 C ATOM 660 O ALA A 42 8.938 -8.751 92.379 1.00 0.00 O ATOM 661 CB ALA A 42 7.582 -10.356 89.678 1.00 0.00 C ATOM 0 H ALA A 42 6.654 -8.197 88.889 1.00 0.00 H new ATOM 0 HA ALA A 42 6.700 -9.512 91.441 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.024 -11.191 90.222 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.628 -10.665 89.251 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.255 -10.048 88.878 1.00 0.00 H new ATOM 667 N ALA A 43 9.548 -8.248 90.341 1.00 0.00 N ATOM 668 CA ALA A 43 10.858 -7.751 90.817 1.00 0.00 C ATOM 669 C ALA A 43 10.626 -6.617 91.827 1.00 0.00 C ATOM 670 O ALA A 43 11.041 -6.690 92.966 1.00 0.00 O ATOM 671 CB ALA A 43 11.643 -7.213 89.618 1.00 0.00 C ATOM 0 H ALA A 43 9.398 -8.188 89.334 1.00 0.00 H new ATOM 0 HA ALA A 43 11.417 -8.556 91.295 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.612 -6.843 89.954 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.792 -8.012 88.892 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.085 -6.400 89.153 1.00 0.00 H new ATOM 677 N ASP A 44 9.976 -5.567 91.400 1.00 0.00 N ATOM 678 CA ASP A 44 9.719 -4.400 92.294 1.00 0.00 C ATOM 679 C ASP A 44 8.899 -4.784 93.536 1.00 0.00 C ATOM 680 O ASP A 44 8.960 -4.108 94.541 1.00 0.00 O ATOM 681 CB ASP A 44 8.960 -3.327 91.511 1.00 0.00 C ATOM 682 CG ASP A 44 8.998 -2.009 92.280 1.00 0.00 C ATOM 683 OD1 ASP A 44 9.331 -2.040 93.452 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.692 -0.991 91.683 1.00 0.00 O ATOM 0 H ASP A 44 9.607 -5.467 90.455 1.00 0.00 H new ATOM 0 HA ASP A 44 10.685 -4.028 92.635 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.407 -3.198 90.525 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.927 -3.639 91.355 1.00 0.00 H new ATOM 689 N CYS A 45 8.121 -5.833 93.488 1.00 0.00 N ATOM 690 CA CYS A 45 7.300 -6.193 94.689 1.00 0.00 C ATOM 691 C CYS A 45 6.780 -7.621 94.552 1.00 0.00 C ATOM 692 O CYS A 45 5.592 -7.863 94.604 1.00 0.00 O ATOM 693 CB CYS A 45 6.099 -5.244 94.782 1.00 0.00 C ATOM 694 SG CYS A 45 6.614 -3.675 95.518 1.00 0.00 S ATOM 0 H CYS A 45 8.017 -6.451 92.683 1.00 0.00 H new ATOM 0 HA CYS A 45 7.920 -6.110 95.582 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.683 -5.071 93.790 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.311 -5.697 95.384 1.00 0.00 H new ATOM 0 HG CYS A 45 7.850 -3.431 95.199 1.00 0.00 H new ATOM 700 N GLY A 46 7.653 -8.569 94.369 1.00 0.00 N ATOM 701 CA GLY A 46 7.192 -9.985 94.218 1.00 0.00 C ATOM 702 C GLY A 46 7.674 -10.839 95.388 1.00 0.00 C ATOM 703 O GLY A 46 7.886 -12.027 95.237 1.00 0.00 O ATOM 0 H GLY A 46 8.662 -8.431 94.317 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.104 -10.014 94.164 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.568 -10.397 93.282 1.00 0.00 H new ATOM 707 N GLN A 47 7.879 -10.266 96.545 1.00 0.00 N ATOM 708 CA GLN A 47 8.379 -11.091 97.681 1.00 0.00 C ATOM 709 C GLN A 47 9.636 -11.826 97.195 1.00 0.00 C ATOM 710 O GLN A 47 10.178 -12.683 97.863 1.00 0.00 O ATOM 711 CB GLN A 47 7.297 -12.096 98.109 1.00 0.00 C ATOM 712 CG GLN A 47 6.213 -11.381 98.928 1.00 0.00 C ATOM 713 CD GLN A 47 5.760 -10.109 98.207 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.363 -10.182 96.966 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.760 -9.038 98.782 1.00 0.00 N flip ATOM 0 H GLN A 47 7.725 -9.279 96.750 1.00 0.00 H new ATOM 0 HA GLN A 47 8.616 -10.468 98.543 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.852 -12.561 97.229 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.744 -12.895 98.701 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.362 -12.046 99.078 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.599 -11.130 99.916 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.070 -8.980 99.752 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.450 -8.197 98.295 1.00 0.00 H new ATOM 724 N LEU A 48 10.092 -11.454 96.024 1.00 0.00 N ATOM 725 CA LEU A 48 11.313 -12.051 95.408 1.00 0.00 C ATOM 726 C LEU A 48 11.101 -13.521 95.050 1.00 0.00 C ATOM 727 O LEU A 48 12.006 -14.196 94.601 1.00 0.00 O ATOM 728 CB LEU A 48 12.499 -11.919 96.352 1.00 0.00 C ATOM 729 CG LEU A 48 12.965 -10.447 96.472 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.266 -9.532 95.458 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.684 -9.930 97.885 1.00 0.00 C ATOM 0 H LEU A 48 9.650 -10.735 95.452 1.00 0.00 H new ATOM 0 HA LEU A 48 11.517 -11.504 94.488 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.226 -12.297 97.337 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.323 -12.535 95.992 1.00 0.00 H new ATOM 0 HG LEU A 48 14.034 -10.428 96.262 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.626 -8.510 95.581 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.486 -9.875 94.447 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.189 -9.560 95.624 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.013 -8.894 97.966 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.615 -9.988 98.088 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.224 -10.540 98.610 1.00 0.00 H new ATOM 743 N GLU A 49 9.916 -14.015 95.219 1.00 0.00 N ATOM 744 CA GLU A 49 9.620 -15.425 94.860 1.00 0.00 C ATOM 745 C GLU A 49 8.965 -15.454 93.483 1.00 0.00 C ATOM 746 O GLU A 49 9.182 -16.347 92.685 1.00 0.00 O ATOM 747 CB GLU A 49 8.661 -16.016 95.882 1.00 0.00 C ATOM 748 CG GLU A 49 9.094 -15.602 97.283 1.00 0.00 C ATOM 749 CD GLU A 49 8.236 -16.324 98.323 1.00 0.00 C ATOM 750 OE1 GLU A 49 8.247 -17.544 98.330 1.00 0.00 O ATOM 751 OE2 GLU A 49 7.584 -15.644 99.097 1.00 0.00 O ATOM 0 H GLU A 49 9.124 -13.495 95.597 1.00 0.00 H new ATOM 0 HA GLU A 49 10.542 -16.006 94.848 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.646 -15.670 95.686 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.649 -17.103 95.800 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.146 -15.843 97.435 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.994 -14.523 97.401 1.00 0.00 H new ATOM 758 N ILE A 50 8.142 -14.478 93.224 1.00 0.00 N ATOM 759 CA ILE A 50 7.417 -14.403 91.925 1.00 0.00 C ATOM 760 C ILE A 50 8.377 -14.222 90.757 1.00 0.00 C ATOM 761 O ILE A 50 8.183 -14.788 89.704 1.00 0.00 O ATOM 762 CB ILE A 50 6.467 -13.212 91.974 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.539 -13.367 93.207 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.670 -13.126 90.659 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.061 -13.280 92.821 1.00 0.00 C ATOM 0 H ILE A 50 7.937 -13.715 93.869 1.00 0.00 H new ATOM 0 HA ILE A 50 6.875 -15.336 91.774 1.00 0.00 H new ATOM 0 HB ILE A 50 7.023 -12.280 92.077 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.733 -14.325 93.689 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.771 -12.590 93.936 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.993 -12.273 90.699 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.359 -13.003 89.823 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.094 -14.041 90.522 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.445 -13.393 93.713 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.861 -12.312 92.362 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.823 -14.073 92.112 1.00 0.00 H new ATOM 777 N LEU A 51 9.393 -13.429 90.903 1.00 0.00 N ATOM 778 CA LEU A 51 10.305 -13.243 89.749 1.00 0.00 C ATOM 779 C LEU A 51 10.931 -14.595 89.375 1.00 0.00 C ATOM 780 O LEU A 51 10.842 -15.028 88.246 1.00 0.00 O ATOM 781 CB LEU A 51 11.404 -12.175 89.997 1.00 0.00 C ATOM 782 CG LEU A 51 11.638 -11.830 91.477 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.364 -11.287 92.143 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.153 -13.059 92.219 1.00 0.00 C ATOM 0 H LEU A 51 9.629 -12.912 91.750 1.00 0.00 H new ATOM 0 HA LEU A 51 9.708 -12.864 88.920 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.341 -12.530 89.568 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.134 -11.264 89.463 1.00 0.00 H new ATOM 0 HG LEU A 51 12.388 -11.041 91.527 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.570 -11.055 93.188 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.041 -10.383 91.627 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.576 -12.038 92.087 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.317 -12.809 93.267 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.418 -13.861 92.148 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.092 -13.386 91.773 1.00 0.00 H new ATOM 796 N GLU A 52 11.552 -15.277 90.297 1.00 0.00 N ATOM 797 CA GLU A 52 12.157 -16.600 89.953 1.00 0.00 C ATOM 798 C GLU A 52 11.098 -17.506 89.305 1.00 0.00 C ATOM 799 O GLU A 52 11.403 -18.340 88.477 1.00 0.00 O ATOM 800 CB GLU A 52 12.667 -17.310 91.217 1.00 0.00 C ATOM 801 CG GLU A 52 13.397 -16.340 92.144 1.00 0.00 C ATOM 802 CD GLU A 52 13.940 -17.120 93.344 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.337 -18.259 93.155 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.952 -16.564 94.430 1.00 0.00 O ATOM 0 H GLU A 52 11.668 -14.981 91.266 1.00 0.00 H new ATOM 0 HA GLU A 52 12.985 -16.419 89.267 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.828 -17.760 91.747 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.338 -18.121 90.935 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.212 -15.850 91.612 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.719 -15.555 92.479 1.00 0.00 H new ATOM 811 N PHE A 53 9.861 -17.371 89.706 1.00 0.00 N ATOM 812 CA PHE A 53 8.781 -18.246 89.156 1.00 0.00 C ATOM 813 C PHE A 53 8.665 -18.102 87.638 1.00 0.00 C ATOM 814 O PHE A 53 9.164 -18.923 86.897 1.00 0.00 O ATOM 815 CB PHE A 53 7.453 -17.869 89.823 1.00 0.00 C ATOM 816 CG PHE A 53 6.270 -18.408 89.040 1.00 0.00 C ATOM 817 CD1 PHE A 53 5.937 -19.767 89.102 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.491 -17.535 88.271 1.00 0.00 C ATOM 819 CE1 PHE A 53 4.825 -20.245 88.395 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.387 -18.015 87.562 1.00 0.00 C ATOM 821 CZ PHE A 53 4.053 -19.366 87.624 1.00 0.00 C ATOM 0 H PHE A 53 9.550 -16.687 90.396 1.00 0.00 H new ATOM 0 HA PHE A 53 9.028 -19.286 89.369 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.429 -18.263 90.839 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.377 -16.784 89.900 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.535 -20.445 89.693 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.745 -16.486 88.226 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.563 -21.292 88.445 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.792 -17.339 86.966 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.198 -19.736 87.077 1.00 0.00 H new ATOM 831 N LEU A 54 7.979 -17.101 87.158 1.00 0.00 N ATOM 832 CA LEU A 54 7.822 -16.984 85.685 1.00 0.00 C ATOM 833 C LEU A 54 9.178 -16.838 84.984 1.00 0.00 C ATOM 834 O LEU A 54 9.289 -17.050 83.793 1.00 0.00 O ATOM 835 CB LEU A 54 6.892 -15.817 85.305 1.00 0.00 C ATOM 836 CG LEU A 54 7.013 -14.605 86.244 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.468 -14.335 86.620 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.444 -13.378 85.522 1.00 0.00 C ATOM 0 H LEU A 54 7.529 -16.372 87.712 1.00 0.00 H new ATOM 0 HA LEU A 54 7.361 -17.910 85.341 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.116 -15.501 84.286 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.860 -16.169 85.310 1.00 0.00 H new ATOM 0 HG LEU A 54 6.461 -14.813 87.161 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.518 -13.472 87.284 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.881 -15.207 87.127 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.045 -14.132 85.718 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.520 -12.506 86.171 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.009 -13.200 84.607 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.398 -13.555 85.273 1.00 0.00 H new ATOM 850 N LEU A 55 10.212 -16.496 85.693 1.00 0.00 N ATOM 851 CA LEU A 55 11.548 -16.362 85.030 1.00 0.00 C ATOM 852 C LEU A 55 12.175 -17.749 84.845 1.00 0.00 C ATOM 853 O LEU A 55 12.763 -18.039 83.819 1.00 0.00 O ATOM 854 CB LEU A 55 12.469 -15.492 85.896 1.00 0.00 C ATOM 855 CG LEU A 55 13.578 -14.856 85.045 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.420 -13.944 85.940 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.488 -15.941 84.451 1.00 0.00 C ATOM 0 H LEU A 55 10.198 -16.303 86.695 1.00 0.00 H new ATOM 0 HA LEU A 55 11.419 -15.892 84.055 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.886 -14.711 86.384 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.913 -16.098 86.685 1.00 0.00 H new ATOM 0 HG LEU A 55 13.124 -14.289 84.232 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.212 -13.485 85.349 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.786 -13.165 86.365 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.862 -14.531 86.745 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.268 -15.473 83.851 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.945 -16.514 85.258 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.897 -16.607 83.822 1.00 0.00 H new ATOM 869 N LEU A 56 12.058 -18.615 85.823 1.00 0.00 N ATOM 870 CA LEU A 56 12.660 -19.976 85.675 1.00 0.00 C ATOM 871 C LEU A 56 11.962 -20.694 84.525 1.00 0.00 C ATOM 872 O LEU A 56 12.538 -21.531 83.853 1.00 0.00 O ATOM 873 CB LEU A 56 12.561 -20.775 86.987 1.00 0.00 C ATOM 874 CG LEU A 56 11.184 -21.438 87.137 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.232 -22.864 86.570 1.00 0.00 C ATOM 876 CD2 LEU A 56 10.824 -21.511 88.624 1.00 0.00 C ATOM 0 H LEU A 56 11.578 -18.441 86.706 1.00 0.00 H new ATOM 0 HA LEU A 56 13.722 -19.884 85.449 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.338 -21.539 87.009 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.741 -20.112 87.833 1.00 0.00 H new ATOM 0 HG LEU A 56 10.440 -20.853 86.596 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.253 -23.332 86.678 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.502 -22.827 85.515 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.975 -23.447 87.114 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.847 -21.981 88.739 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.574 -22.100 89.152 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.794 -20.504 89.041 1.00 0.00 H new ATOM 888 N LYS A 57 10.741 -20.332 84.258 1.00 0.00 N ATOM 889 CA LYS A 57 10.022 -20.939 83.114 1.00 0.00 C ATOM 890 C LYS A 57 10.666 -20.359 81.860 1.00 0.00 C ATOM 891 O LYS A 57 11.814 -20.631 81.568 1.00 0.00 O ATOM 892 CB LYS A 57 8.541 -20.556 83.178 1.00 0.00 C ATOM 893 CG LYS A 57 7.843 -21.406 84.248 1.00 0.00 C ATOM 894 CD LYS A 57 7.341 -22.710 83.617 1.00 0.00 C ATOM 895 CE LYS A 57 7.212 -23.787 84.694 1.00 0.00 C ATOM 896 NZ LYS A 57 6.685 -23.180 85.950 1.00 0.00 N ATOM 0 H LYS A 57 10.210 -19.639 84.786 1.00 0.00 H new ATOM 0 HA LYS A 57 10.084 -22.027 83.123 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.437 -19.497 83.414 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.070 -20.714 82.208 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.534 -21.626 85.061 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.008 -20.853 84.680 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.377 -22.545 83.137 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.032 -23.039 82.841 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.544 -24.578 84.353 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.182 -24.247 84.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.842 -23.704 86.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.414 -23.226 86.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.431 -22.187 85.775 1.00 0.00 H new ATOM 910 N GLY A 58 9.981 -19.509 81.149 1.00 0.00 N ATOM 911 CA GLY A 58 10.626 -18.875 79.973 1.00 0.00 C ATOM 912 C GLY A 58 11.715 -17.963 80.535 1.00 0.00 C ATOM 913 O GLY A 58 12.566 -18.408 81.277 1.00 0.00 O ATOM 0 H GLY A 58 9.016 -19.230 81.329 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.051 -19.627 79.308 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.902 -18.306 79.390 1.00 0.00 H new ATOM 917 N ALA A 59 11.679 -16.692 80.246 1.00 0.00 N ATOM 918 CA ALA A 59 12.706 -15.787 80.836 1.00 0.00 C ATOM 919 C ALA A 59 12.552 -14.367 80.283 1.00 0.00 C ATOM 920 O ALA A 59 13.280 -13.941 79.407 1.00 0.00 O ATOM 921 CB ALA A 59 14.119 -16.320 80.553 1.00 0.00 C ATOM 0 H ALA A 59 10.994 -16.245 79.636 1.00 0.00 H new ATOM 0 HA ALA A 59 12.557 -15.756 81.915 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.856 -15.647 80.991 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.228 -17.312 80.991 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.277 -16.379 79.476 1.00 0.00 H new ATOM 927 N ASP A 60 11.627 -13.624 80.820 1.00 0.00 N ATOM 928 CA ASP A 60 11.434 -12.219 80.377 1.00 0.00 C ATOM 929 C ASP A 60 12.586 -11.404 80.966 1.00 0.00 C ATOM 930 O ASP A 60 12.648 -10.194 80.872 1.00 0.00 O ATOM 931 CB ASP A 60 10.089 -11.718 80.909 1.00 0.00 C ATOM 932 CG ASP A 60 9.640 -10.492 80.122 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.276 -9.462 80.262 1.00 0.00 O ATOM 934 OD2 ASP A 60 8.666 -10.602 79.397 1.00 0.00 O ATOM 0 H ASP A 60 10.991 -13.934 81.554 1.00 0.00 H new ATOM 0 HA ASP A 60 11.429 -12.129 79.291 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.340 -12.506 80.828 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.177 -11.469 81.967 1.00 0.00 H new ATOM 939 N ILE A 61 13.497 -12.106 81.582 1.00 0.00 N ATOM 940 CA ILE A 61 14.687 -11.480 82.219 1.00 0.00 C ATOM 941 C ILE A 61 15.432 -10.615 81.209 1.00 0.00 C ATOM 942 O ILE A 61 16.158 -9.710 81.566 1.00 0.00 O ATOM 943 CB ILE A 61 15.607 -12.612 82.669 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.740 -12.074 83.545 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.204 -13.276 81.427 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.798 -13.169 83.735 1.00 0.00 C ATOM 0 H ILE A 61 13.462 -13.121 81.672 1.00 0.00 H new ATOM 0 HA ILE A 61 14.380 -10.854 83.057 1.00 0.00 H new ATOM 0 HB ILE A 61 15.031 -13.331 83.252 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.188 -11.196 83.081 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.349 -11.758 84.512 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.865 -14.088 81.731 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.402 -13.674 80.806 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.772 -12.540 80.858 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.607 -12.789 84.359 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.343 -14.034 84.217 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.196 -13.463 82.764 1.00 0.00 H new ATOM 958 N ASN A 62 15.275 -10.901 79.950 1.00 0.00 N ATOM 959 CA ASN A 62 15.998 -10.117 78.908 1.00 0.00 C ATOM 960 C ASN A 62 15.039 -9.713 77.786 1.00 0.00 C ATOM 961 O ASN A 62 15.196 -8.685 77.163 1.00 0.00 O ATOM 962 CB ASN A 62 17.133 -10.976 78.337 1.00 0.00 C ATOM 963 CG ASN A 62 16.569 -12.288 77.784 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.516 -12.823 78.340 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.093 -12.835 76.833 1.00 0.00 N flip ATOM 0 H ASN A 62 14.676 -11.646 79.594 1.00 0.00 H new ATOM 0 HA ASN A 62 16.407 -9.212 79.356 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.650 -10.431 77.547 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.868 -11.185 79.114 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.916 -12.420 76.396 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.710 -13.709 76.472 1.00 0.00 H new ATOM 972 N ALA A 63 14.050 -10.522 77.540 1.00 0.00 N ATOM 973 CA ALA A 63 13.037 -10.244 76.462 1.00 0.00 C ATOM 974 C ALA A 63 12.918 -8.750 76.080 1.00 0.00 C ATOM 975 O ALA A 63 13.042 -8.424 74.921 1.00 0.00 O ATOM 976 CB ALA A 63 11.681 -10.758 76.922 1.00 0.00 C ATOM 0 H ALA A 63 13.889 -11.391 78.050 1.00 0.00 H new ATOM 0 HA ALA A 63 13.380 -10.759 75.565 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.937 -10.563 76.150 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.741 -11.831 77.105 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.392 -10.249 77.841 1.00 0.00 H new ATOM 982 N PRO A 64 12.682 -7.885 77.047 1.00 0.00 N ATOM 983 CA PRO A 64 12.535 -6.444 76.823 1.00 0.00 C ATOM 984 C PRO A 64 13.083 -5.959 75.480 1.00 0.00 C ATOM 985 O PRO A 64 14.172 -6.297 75.056 1.00 0.00 O ATOM 986 CB PRO A 64 13.286 -5.876 78.023 1.00 0.00 C ATOM 987 CG PRO A 64 13.132 -6.946 79.147 1.00 0.00 C ATOM 988 CD PRO A 64 12.568 -8.216 78.475 1.00 0.00 C ATOM 0 HA PRO A 64 11.496 -6.123 76.756 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.336 -5.704 77.785 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.868 -4.918 78.332 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.092 -7.152 79.620 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.461 -6.592 79.930 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.144 -9.104 78.735 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.536 -8.408 78.768 1.00 0.00 H new ATOM 996 N ASP A 65 12.282 -5.160 74.817 1.00 0.00 N ATOM 997 CA ASP A 65 12.638 -4.589 73.488 1.00 0.00 C ATOM 998 C ASP A 65 12.200 -3.117 73.475 1.00 0.00 C ATOM 999 O ASP A 65 12.948 -2.232 73.099 1.00 0.00 O ATOM 1000 CB ASP A 65 11.872 -5.343 72.396 1.00 0.00 C ATOM 1001 CG ASP A 65 12.565 -6.673 72.105 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.431 -7.047 72.881 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.216 -7.296 71.119 1.00 0.00 O ATOM 0 H ASP A 65 11.365 -4.873 75.159 1.00 0.00 H new ATOM 0 HA ASP A 65 13.710 -4.676 73.309 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.845 -5.519 72.715 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.825 -4.740 71.489 1.00 0.00 H new ATOM 1008 N LYS A 66 10.983 -2.859 73.890 1.00 0.00 N ATOM 1009 CA LYS A 66 10.462 -1.469 73.925 1.00 0.00 C ATOM 1010 C LYS A 66 10.770 -0.840 75.287 1.00 0.00 C ATOM 1011 O LYS A 66 10.865 0.363 75.425 1.00 0.00 O ATOM 1012 CB LYS A 66 8.955 -1.522 73.713 1.00 0.00 C ATOM 1013 CG LYS A 66 8.364 -0.127 73.838 1.00 0.00 C ATOM 1014 CD LYS A 66 9.085 0.848 72.899 1.00 0.00 C ATOM 1015 CE LYS A 66 8.165 2.033 72.597 1.00 0.00 C ATOM 1016 NZ LYS A 66 7.114 1.614 71.626 1.00 0.00 N ATOM 0 H LYS A 66 10.324 -3.569 74.210 1.00 0.00 H new ATOM 0 HA LYS A 66 10.931 -0.868 73.146 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.732 -1.934 72.729 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.499 -2.186 74.447 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.301 -0.153 73.598 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.450 0.220 74.868 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.009 1.198 73.359 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.362 0.342 71.974 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.703 2.391 73.517 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.744 2.861 72.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.723 2.454 71.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.531 0.979 70.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.353 1.116 72.131 1.00 0.00 H new ATOM 1030 N HIS A 67 10.923 -1.657 76.290 1.00 0.00 N ATOM 1031 CA HIS A 67 11.222 -1.147 77.653 1.00 0.00 C ATOM 1032 C HIS A 67 12.704 -0.800 77.750 1.00 0.00 C ATOM 1033 O HIS A 67 13.182 -0.358 78.774 1.00 0.00 O ATOM 1034 CB HIS A 67 10.882 -2.245 78.657 1.00 0.00 C ATOM 1035 CG HIS A 67 9.583 -2.892 78.262 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.440 -4.267 78.176 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.359 -2.366 77.922 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.173 -4.521 77.798 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.471 -3.397 77.629 1.00 0.00 N ATOM 0 H HIS A 67 10.852 -2.672 76.220 1.00 0.00 H new ATOM 0 HA HIS A 67 10.635 -0.253 77.863 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.679 -2.988 78.685 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.803 -1.825 79.660 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.122 -1.313 77.888 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.773 -5.513 77.649 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.495 -3.313 77.346 1.00 0.00 H new ATOM 1047 N HIS A 68 13.429 -0.987 76.681 1.00 0.00 N ATOM 1048 CA HIS A 68 14.883 -0.665 76.688 1.00 0.00 C ATOM 1049 C HIS A 68 15.505 -1.027 78.034 1.00 0.00 C ATOM 1050 O HIS A 68 16.500 -0.455 78.431 1.00 0.00 O ATOM 1051 CB HIS A 68 15.069 0.833 76.446 1.00 0.00 C ATOM 1052 CG HIS A 68 14.661 1.172 75.041 1.00 0.00 C ATOM 1053 ND1 HIS A 68 13.513 0.658 74.460 1.00 0.00 N ATOM 1054 CD2 HIS A 68 15.237 1.976 74.089 1.00 0.00 C ATOM 1055 CE1 HIS A 68 13.434 1.153 73.212 1.00 0.00 C ATOM 1056 NE2 HIS A 68 14.460 1.962 72.934 1.00 0.00 N ATOM 0 H HIS A 68 13.073 -1.352 75.797 1.00 0.00 H new ATOM 0 HA HIS A 68 15.372 -1.241 75.902 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.471 1.403 77.157 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.110 1.111 76.610 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.153 2.534 74.217 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.638 0.924 72.519 1.00 0.00 H new ATOM 0 HE2 HIS A 68 14.636 2.462 72.063 1.00 0.00 H new ATOM 1064 N ILE A 69 14.950 -1.966 78.751 1.00 0.00 N ATOM 1065 CA ILE A 69 15.567 -2.305 80.056 1.00 0.00 C ATOM 1066 C ILE A 69 15.174 -3.702 80.523 1.00 0.00 C ATOM 1067 O ILE A 69 14.114 -4.222 80.218 1.00 0.00 O ATOM 1068 CB ILE A 69 15.153 -1.267 81.106 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.410 -0.697 81.774 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.249 -1.908 82.173 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.199 -1.807 82.476 1.00 0.00 C ATOM 0 H ILE A 69 14.118 -2.498 78.496 1.00 0.00 H new ATOM 0 HA ILE A 69 16.649 -2.293 79.929 1.00 0.00 H new ATOM 0 HB ILE A 69 14.598 -0.468 80.614 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.039 -0.214 81.026 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.129 0.069 82.496 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.966 -1.156 82.909 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.353 -2.307 81.698 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.787 -2.716 82.668 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.087 -1.382 82.944 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.574 -2.271 83.239 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.498 -2.559 81.745 1.00 0.00 H new ATOM 1083 N THR A 70 16.040 -4.285 81.298 1.00 0.00 N ATOM 1084 CA THR A 70 15.793 -5.629 81.863 1.00 0.00 C ATOM 1085 C THR A 70 15.422 -5.414 83.346 1.00 0.00 C ATOM 1086 O THR A 70 15.646 -4.345 83.877 1.00 0.00 O ATOM 1087 CB THR A 70 17.063 -6.469 81.676 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.151 -7.449 82.686 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.283 -5.540 81.713 1.00 0.00 C ATOM 0 H THR A 70 16.932 -3.871 81.568 1.00 0.00 H new ATOM 0 HA THR A 70 14.982 -6.167 81.372 1.00 0.00 H new ATOM 0 HB THR A 70 17.030 -6.980 80.714 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.941 -8.328 82.308 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.192 -6.127 81.581 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.206 -4.806 80.911 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.320 -5.026 82.673 1.00 0.00 H new ATOM 1097 N PRO A 71 14.790 -6.373 83.957 1.00 0.00 N ATOM 1098 CA PRO A 71 14.304 -6.224 85.341 1.00 0.00 C ATOM 1099 C PRO A 71 15.421 -6.223 86.404 1.00 0.00 C ATOM 1100 O PRO A 71 15.179 -5.814 87.519 1.00 0.00 O ATOM 1101 CB PRO A 71 13.349 -7.418 85.530 1.00 0.00 C ATOM 1102 CG PRO A 71 13.285 -8.157 84.168 1.00 0.00 C ATOM 1103 CD PRO A 71 14.482 -7.679 83.355 1.00 0.00 C ATOM 0 HA PRO A 71 13.824 -5.256 85.481 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.711 -8.083 86.314 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.359 -7.077 85.833 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.321 -9.237 84.311 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.352 -7.935 83.650 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.323 -8.368 83.432 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.240 -7.588 82.296 1.00 0.00 H new ATOM 1111 N LEU A 72 16.628 -6.665 86.134 1.00 0.00 N ATOM 1112 CA LEU A 72 17.625 -6.619 87.247 1.00 0.00 C ATOM 1113 C LEU A 72 17.691 -5.184 87.767 1.00 0.00 C ATOM 1114 O LEU A 72 17.815 -4.958 88.952 1.00 0.00 O ATOM 1115 CB LEU A 72 19.056 -7.074 86.839 1.00 0.00 C ATOM 1116 CG LEU A 72 19.101 -7.924 85.559 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.941 -8.929 85.495 1.00 0.00 C ATOM 1118 CD2 LEU A 72 19.090 -7.014 84.330 1.00 0.00 C ATOM 0 H LEU A 72 16.953 -7.036 85.241 1.00 0.00 H new ATOM 0 HA LEU A 72 17.287 -7.323 88.008 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.680 -6.192 86.699 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.492 -7.646 87.658 1.00 0.00 H new ATOM 0 HG LEU A 72 20.026 -8.501 85.574 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.012 -9.508 84.574 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.994 -9.601 86.352 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.993 -8.392 85.513 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.122 -7.623 83.426 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.181 -6.413 84.331 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.959 -6.357 84.356 1.00 0.00 H new ATOM 1130 N LEU A 73 17.599 -4.212 86.893 1.00 0.00 N ATOM 1131 CA LEU A 73 17.646 -2.799 87.366 1.00 0.00 C ATOM 1132 C LEU A 73 16.323 -2.449 88.053 1.00 0.00 C ATOM 1133 O LEU A 73 16.246 -1.564 88.878 1.00 0.00 O ATOM 1134 CB LEU A 73 17.895 -1.850 86.198 1.00 0.00 C ATOM 1135 CG LEU A 73 19.215 -2.228 85.512 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.969 -3.324 84.469 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.810 -0.996 84.825 1.00 0.00 C ATOM 0 H LEU A 73 17.495 -4.335 85.886 1.00 0.00 H new ATOM 0 HA LEU A 73 18.466 -2.690 88.076 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.072 -1.907 85.486 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.938 -0.820 86.553 1.00 0.00 H new ATOM 0 HG LEU A 73 19.912 -2.598 86.264 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.911 -3.586 83.987 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.554 -4.205 84.958 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.266 -2.961 83.719 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.747 -1.267 84.339 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.109 -0.622 84.079 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.998 -0.221 85.568 1.00 0.00 H new ATOM 1149 N SER A 74 15.273 -3.140 87.727 1.00 0.00 N ATOM 1150 CA SER A 74 13.980 -2.841 88.385 1.00 0.00 C ATOM 1151 C SER A 74 14.144 -3.009 89.902 1.00 0.00 C ATOM 1152 O SER A 74 13.745 -2.164 90.687 1.00 0.00 O ATOM 1153 CB SER A 74 12.903 -3.789 87.852 1.00 0.00 C ATOM 1154 OG SER A 74 11.707 -3.611 88.595 1.00 0.00 O ATOM 0 H SER A 74 15.254 -3.893 87.039 1.00 0.00 H new ATOM 0 HA SER A 74 13.676 -1.817 88.169 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.720 -3.592 86.796 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.242 -4.822 87.930 1.00 0.00 H new ATOM 0 HG SER A 74 11.103 -3.016 88.104 1.00 0.00 H new ATOM 1160 N ALA A 75 14.747 -4.088 90.325 1.00 0.00 N ATOM 1161 CA ALA A 75 14.948 -4.297 91.793 1.00 0.00 C ATOM 1162 C ALA A 75 16.026 -3.337 92.303 1.00 0.00 C ATOM 1163 O ALA A 75 16.025 -2.930 93.450 1.00 0.00 O ATOM 1164 CB ALA A 75 15.369 -5.745 92.056 1.00 0.00 C ATOM 0 H ALA A 75 15.107 -4.830 89.725 1.00 0.00 H new ATOM 0 HA ALA A 75 14.014 -4.099 92.319 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.514 -5.893 93.126 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.592 -6.421 91.698 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.301 -5.954 91.531 1.00 0.00 H new ATOM 1170 N VAL A 76 16.948 -2.972 91.455 1.00 0.00 N ATOM 1171 CA VAL A 76 18.032 -2.044 91.870 1.00 0.00 C ATOM 1172 C VAL A 76 17.427 -0.862 92.641 1.00 0.00 C ATOM 1173 O VAL A 76 17.609 -0.733 93.835 1.00 0.00 O ATOM 1174 CB VAL A 76 18.768 -1.569 90.605 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.449 -0.210 90.836 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.820 -2.622 90.220 1.00 0.00 C ATOM 0 H VAL A 76 16.995 -3.281 90.484 1.00 0.00 H new ATOM 0 HA VAL A 76 18.742 -2.544 92.529 1.00 0.00 H new ATOM 0 HB VAL A 76 18.044 -1.447 89.799 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.961 0.100 89.925 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.697 0.533 91.101 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.172 -0.299 91.646 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.349 -2.297 89.324 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.531 -2.742 91.038 1.00 0.00 H new ATOM 0 HG23 VAL A 76 19.327 -3.574 90.025 1.00 0.00 H new ATOM 1186 N TYR A 77 16.709 -0.004 91.973 1.00 0.00 N ATOM 1187 CA TYR A 77 16.093 1.155 92.678 1.00 0.00 C ATOM 1188 C TYR A 77 14.896 0.660 93.501 1.00 0.00 C ATOM 1189 O TYR A 77 13.812 1.202 93.421 1.00 0.00 O ATOM 1190 CB TYR A 77 15.616 2.187 91.645 1.00 0.00 C ATOM 1191 CG TYR A 77 16.346 1.994 90.328 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.847 1.098 89.371 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.506 2.728 90.053 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.508 0.940 88.143 1.00 0.00 C ATOM 1195 CE2 TYR A 77 18.166 2.565 88.828 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.668 1.674 87.873 1.00 0.00 C ATOM 1197 OH TYR A 77 18.322 1.518 86.663 1.00 0.00 O ATOM 0 H TYR A 77 16.522 -0.054 90.972 1.00 0.00 H new ATOM 0 HA TYR A 77 16.826 1.619 93.338 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.542 2.087 91.491 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.791 3.195 92.021 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.953 0.529 89.579 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.893 3.421 90.786 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.121 0.252 87.406 1.00 0.00 H new ATOM 0 HE2 TYR A 77 19.063 3.130 88.621 1.00 0.00 H new ATOM 0 HH TYR A 77 18.489 2.398 86.266 1.00 0.00 H new ATOM 1207 N GLU A 78 15.081 -0.369 94.290 1.00 0.00 N ATOM 1208 CA GLU A 78 13.948 -0.898 95.113 1.00 0.00 C ATOM 1209 C GLU A 78 14.382 -1.083 96.564 1.00 0.00 C ATOM 1210 O GLU A 78 13.607 -0.896 97.480 1.00 0.00 O ATOM 1211 CB GLU A 78 13.512 -2.263 94.572 1.00 0.00 C ATOM 1212 CG GLU A 78 12.089 -2.569 95.042 1.00 0.00 C ATOM 1213 CD GLU A 78 11.813 -4.063 94.872 1.00 0.00 C ATOM 1214 OE1 GLU A 78 12.452 -4.668 94.026 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.972 -4.579 95.589 1.00 0.00 O ATOM 0 H GLU A 78 15.965 -0.865 94.400 1.00 0.00 H new ATOM 0 HA GLU A 78 13.127 -0.183 95.061 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.555 -2.265 93.483 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.195 -3.038 94.919 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.969 -2.281 96.086 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.370 -1.986 94.466 1.00 0.00 H new ATOM 1222 N GLY A 79 15.596 -1.499 96.785 1.00 0.00 N ATOM 1223 CA GLY A 79 16.046 -1.755 98.182 1.00 0.00 C ATOM 1224 C GLY A 79 15.826 -3.239 98.451 1.00 0.00 C ATOM 1225 O GLY A 79 16.181 -3.762 99.489 1.00 0.00 O ATOM 0 H GLY A 79 16.295 -1.673 96.063 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.097 -1.492 98.304 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.481 -1.146 98.888 1.00 0.00 H new ATOM 1229 N HIS A 80 15.252 -3.923 97.496 1.00 0.00 N ATOM 1230 CA HIS A 80 15.016 -5.376 97.654 1.00 0.00 C ATOM 1231 C HIS A 80 16.329 -6.082 97.366 1.00 0.00 C ATOM 1232 O HIS A 80 16.835 -6.818 98.185 1.00 0.00 O ATOM 1233 CB HIS A 80 13.935 -5.828 96.658 1.00 0.00 C ATOM 1234 CG HIS A 80 12.583 -5.728 97.313 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.675 -6.781 97.322 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.973 -4.705 97.992 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.583 -6.367 97.987 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.709 -5.111 98.417 1.00 0.00 N ATOM 0 H HIS A 80 14.937 -3.529 96.610 1.00 0.00 H new ATOM 0 HA HIS A 80 14.673 -5.613 98.661 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.965 -5.206 95.763 1.00 0.00 H new ATOM 0 HB3 HIS A 80 14.123 -6.853 96.340 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.406 -3.732 98.171 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.708 -6.978 98.153 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.027 -4.565 98.944 1.00 0.00 H new ATOM 1246 N VAL A 81 16.891 -5.829 96.212 1.00 0.00 N ATOM 1247 CA VAL A 81 18.193 -6.446 95.843 1.00 0.00 C ATOM 1248 C VAL A 81 18.291 -7.877 96.371 1.00 0.00 C ATOM 1249 O VAL A 81 19.338 -8.501 96.340 1.00 0.00 O ATOM 1250 CB VAL A 81 19.334 -5.550 96.345 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.641 -4.498 95.270 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.899 -4.828 97.632 1.00 0.00 C ATOM 0 H VAL A 81 16.495 -5.212 95.503 1.00 0.00 H new ATOM 0 HA VAL A 81 18.273 -6.519 94.758 1.00 0.00 H new ATOM 0 HB VAL A 81 20.215 -6.159 96.548 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.450 -3.853 95.613 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.940 -4.997 94.348 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.751 -3.896 95.085 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.711 -4.193 97.985 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.022 -4.214 97.426 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.655 -5.564 98.398 1.00 0.00 H new ATOM 1262 N SER A 82 17.184 -8.430 96.778 1.00 0.00 N ATOM 1263 CA SER A 82 17.169 -9.846 97.213 1.00 0.00 C ATOM 1264 C SER A 82 16.983 -10.651 95.932 1.00 0.00 C ATOM 1265 O SER A 82 17.355 -11.801 95.823 1.00 0.00 O ATOM 1266 CB SER A 82 16.002 -10.094 98.177 1.00 0.00 C ATOM 1267 OG SER A 82 16.462 -9.961 99.515 1.00 0.00 O ATOM 0 H SER A 82 16.283 -7.954 96.827 1.00 0.00 H new ATOM 0 HA SER A 82 18.081 -10.124 97.741 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.199 -9.383 97.984 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.590 -11.091 98.019 1.00 0.00 H new ATOM 0 HG SER A 82 15.718 -10.117 100.134 1.00 0.00 H new ATOM 1273 N CYS A 83 16.408 -10.002 94.953 1.00 0.00 N ATOM 1274 CA CYS A 83 16.170 -10.635 93.628 1.00 0.00 C ATOM 1275 C CYS A 83 17.452 -10.523 92.799 1.00 0.00 C ATOM 1276 O CYS A 83 17.935 -11.495 92.260 1.00 0.00 O ATOM 1277 CB CYS A 83 15.022 -9.896 92.920 1.00 0.00 C ATOM 1278 SG CYS A 83 14.720 -8.311 93.751 1.00 0.00 S ATOM 0 H CYS A 83 16.087 -9.036 95.022 1.00 0.00 H new ATOM 0 HA CYS A 83 15.901 -11.685 93.747 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.274 -9.728 91.873 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.118 -10.505 92.936 1.00 0.00 H new ATOM 0 HG CYS A 83 13.624 -7.783 93.293 1.00 0.00 H new ATOM 1284 N VAL A 84 18.018 -9.344 92.711 1.00 0.00 N ATOM 1285 CA VAL A 84 19.286 -9.183 91.934 1.00 0.00 C ATOM 1286 C VAL A 84 20.211 -10.346 92.285 1.00 0.00 C ATOM 1287 O VAL A 84 20.885 -10.905 91.449 1.00 0.00 O ATOM 1288 CB VAL A 84 19.987 -7.886 92.341 1.00 0.00 C ATOM 1289 CG1 VAL A 84 19.073 -6.686 92.091 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.343 -7.957 93.825 1.00 0.00 C ATOM 0 H VAL A 84 17.659 -8.491 93.141 1.00 0.00 H new ATOM 0 HA VAL A 84 19.059 -9.161 90.868 1.00 0.00 H new ATOM 0 HB VAL A 84 20.892 -7.765 91.745 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.586 -5.770 92.386 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.820 -6.636 91.032 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.160 -6.795 92.677 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.843 -7.036 94.124 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.433 -8.082 94.412 1.00 0.00 H new ATOM 0 HG23 VAL A 84 21.007 -8.804 94.000 1.00 0.00 H new ATOM 1300 N LYS A 85 20.242 -10.691 93.542 1.00 0.00 N ATOM 1301 CA LYS A 85 21.116 -11.796 94.010 1.00 0.00 C ATOM 1302 C LYS A 85 20.857 -13.080 93.204 1.00 0.00 C ATOM 1303 O LYS A 85 21.638 -13.466 92.351 1.00 0.00 O ATOM 1304 CB LYS A 85 20.808 -12.045 95.492 1.00 0.00 C ATOM 1305 CG LYS A 85 21.342 -10.878 96.346 1.00 0.00 C ATOM 1306 CD LYS A 85 22.444 -11.381 97.283 1.00 0.00 C ATOM 1307 CE LYS A 85 23.719 -11.654 96.480 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.275 -10.365 95.981 1.00 0.00 N ATOM 0 H LYS A 85 19.689 -10.245 94.274 1.00 0.00 H new ATOM 0 HA LYS A 85 22.161 -11.520 93.872 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.733 -12.149 95.636 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.265 -12.981 95.814 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.733 -10.092 95.700 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.531 -10.440 96.927 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.642 -10.640 98.058 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.119 -12.291 97.788 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.454 -12.162 97.105 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.500 -12.317 95.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.300 -10.462 95.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.821 -10.117 95.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.092 -9.615 96.678 1.00 0.00 H new ATOM 1322 N LEU A 86 19.773 -13.754 93.489 1.00 0.00 N ATOM 1323 CA LEU A 86 19.453 -15.029 92.773 1.00 0.00 C ATOM 1324 C LEU A 86 19.230 -14.763 91.275 1.00 0.00 C ATOM 1325 O LEU A 86 18.996 -15.661 90.496 1.00 0.00 O ATOM 1326 CB LEU A 86 18.239 -15.694 93.470 1.00 0.00 C ATOM 1327 CG LEU A 86 16.934 -15.621 92.652 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.676 -14.206 92.121 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.970 -16.624 91.490 1.00 0.00 C ATOM 0 H LEU A 86 19.089 -13.475 94.193 1.00 0.00 H new ATOM 0 HA LEU A 86 20.289 -15.726 92.827 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.474 -16.740 93.669 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.079 -15.214 94.436 1.00 0.00 H new ATOM 0 HG LEU A 86 16.114 -15.881 93.321 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.748 -14.195 91.550 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.595 -13.512 92.958 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.502 -13.903 91.477 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.041 -16.558 90.924 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.811 -16.393 90.836 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.084 -17.634 91.884 1.00 0.00 H new ATOM 1341 N LEU A 87 19.321 -13.529 90.859 1.00 0.00 N ATOM 1342 CA LEU A 87 19.116 -13.212 89.414 1.00 0.00 C ATOM 1343 C LEU A 87 20.342 -13.616 88.586 1.00 0.00 C ATOM 1344 O LEU A 87 20.350 -14.659 87.961 1.00 0.00 O ATOM 1345 CB LEU A 87 18.872 -11.708 89.257 1.00 0.00 C ATOM 1346 CG LEU A 87 17.495 -11.470 88.644 1.00 0.00 C ATOM 1347 CD1 LEU A 87 17.204 -9.967 88.613 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.462 -12.028 87.215 1.00 0.00 C ATOM 0 H LEU A 87 19.528 -12.727 91.455 1.00 0.00 H new ATOM 0 HA LEU A 87 18.254 -13.773 89.053 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.938 -11.216 90.227 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.643 -11.269 88.624 1.00 0.00 H new ATOM 0 HG LEU A 87 16.739 -11.975 89.245 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.221 -9.796 88.175 1.00 0.00 H new ATOM 0 HD12 LEU A 87 17.223 -9.572 89.629 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.961 -9.462 88.013 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.477 -11.856 86.780 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.218 -11.526 86.611 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.667 -13.098 87.237 1.00 0.00 H new ATOM 1360 N LEU A 88 21.369 -12.793 88.532 1.00 0.00 N ATOM 1361 CA LEU A 88 22.543 -13.166 87.692 1.00 0.00 C ATOM 1362 C LEU A 88 22.948 -14.602 87.995 1.00 0.00 C ATOM 1363 O LEU A 88 23.646 -15.236 87.229 1.00 0.00 O ATOM 1364 CB LEU A 88 23.733 -12.202 87.882 1.00 0.00 C ATOM 1365 CG LEU A 88 24.388 -12.342 89.266 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.324 -12.301 90.358 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.181 -13.657 89.355 1.00 0.00 C ATOM 0 H LEU A 88 21.439 -11.902 89.023 1.00 0.00 H new ATOM 0 HA LEU A 88 22.248 -13.085 86.646 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.478 -12.393 87.110 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.390 -11.176 87.748 1.00 0.00 H new ATOM 0 HG LEU A 88 25.076 -11.508 89.409 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.800 -12.401 91.334 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.790 -11.352 90.310 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.621 -13.121 90.212 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.638 -13.740 90.341 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.508 -14.499 89.195 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.960 -13.665 88.592 1.00 0.00 H new ATOM 1379 N SER A 89 22.481 -15.140 89.084 1.00 0.00 N ATOM 1380 CA SER A 89 22.804 -16.554 89.393 1.00 0.00 C ATOM 1381 C SER A 89 22.288 -17.395 88.226 1.00 0.00 C ATOM 1382 O SER A 89 22.622 -18.553 88.069 1.00 0.00 O ATOM 1383 CB SER A 89 22.097 -16.972 90.682 1.00 0.00 C ATOM 1384 OG SER A 89 20.824 -17.517 90.360 1.00 0.00 O ATOM 0 H SER A 89 21.893 -14.664 89.769 1.00 0.00 H new ATOM 0 HA SER A 89 23.877 -16.691 89.529 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.696 -17.708 91.218 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.982 -16.113 91.343 1.00 0.00 H new ATOM 0 HG SER A 89 20.233 -16.803 90.041 1.00 0.00 H new ATOM 1390 N LYS A 90 21.472 -16.791 87.396 1.00 0.00 N ATOM 1391 CA LYS A 90 20.909 -17.500 86.211 1.00 0.00 C ATOM 1392 C LYS A 90 21.588 -16.964 84.959 1.00 0.00 C ATOM 1393 O LYS A 90 21.665 -17.622 83.941 1.00 0.00 O ATOM 1394 CB LYS A 90 19.410 -17.199 86.111 1.00 0.00 C ATOM 1395 CG LYS A 90 18.747 -17.362 87.490 1.00 0.00 C ATOM 1396 CD LYS A 90 17.568 -18.335 87.397 1.00 0.00 C ATOM 1397 CE LYS A 90 16.456 -17.726 86.529 1.00 0.00 C ATOM 1398 NZ LYS A 90 15.133 -17.985 87.165 1.00 0.00 N ATOM 0 H LYS A 90 21.170 -15.822 87.494 1.00 0.00 H new ATOM 0 HA LYS A 90 21.071 -18.573 86.309 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.258 -16.184 85.743 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.943 -17.872 85.392 1.00 0.00 H new ATOM 0 HG2 LYS A 90 19.476 -17.731 88.211 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.402 -16.394 87.852 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.899 -19.281 86.969 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.185 -18.553 88.394 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.614 -16.653 86.416 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.482 -18.159 85.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.390 -17.974 86.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.148 -18.915 87.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.937 -17.247 87.872 1.00 0.00 H new ATOM 1412 N GLY A 91 22.076 -15.762 85.039 1.00 0.00 N ATOM 1413 CA GLY A 91 22.754 -15.141 83.875 1.00 0.00 C ATOM 1414 C GLY A 91 22.438 -13.648 83.834 1.00 0.00 C ATOM 1415 O GLY A 91 23.120 -12.846 84.442 1.00 0.00 O ATOM 0 H GLY A 91 22.033 -15.176 85.873 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.831 -15.293 83.945 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.424 -15.618 82.952 1.00 0.00 H new ATOM 1419 N ALA A 92 21.408 -13.269 83.122 1.00 0.00 N ATOM 1420 CA ALA A 92 21.047 -11.821 83.031 1.00 0.00 C ATOM 1421 C ALA A 92 22.314 -10.980 82.901 1.00 0.00 C ATOM 1422 O ALA A 92 22.296 -9.790 83.138 1.00 0.00 O ATOM 1423 CB ALA A 92 20.303 -11.405 84.308 1.00 0.00 C ATOM 0 H ALA A 92 20.800 -13.900 82.599 1.00 0.00 H new ATOM 0 HA ALA A 92 20.413 -11.663 82.159 1.00 0.00 H new ATOM 0 HB1 ALA A 92 20.037 -10.350 84.247 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.397 -12.002 84.412 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.946 -11.568 85.173 1.00 0.00 H new ATOM 1429 N ASP A 93 23.414 -11.586 82.542 1.00 0.00 N ATOM 1430 CA ASP A 93 24.687 -10.820 82.424 1.00 0.00 C ATOM 1431 C ASP A 93 24.665 -9.645 83.422 1.00 0.00 C ATOM 1432 O ASP A 93 24.814 -9.839 84.611 1.00 0.00 O ATOM 1433 CB ASP A 93 24.867 -10.326 80.983 1.00 0.00 C ATOM 1434 CG ASP A 93 26.326 -9.924 80.761 1.00 0.00 C ATOM 1435 OD1 ASP A 93 27.117 -10.115 81.670 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.628 -9.432 79.686 1.00 0.00 O ATOM 0 H ASP A 93 23.485 -12.580 82.325 1.00 0.00 H new ATOM 0 HA ASP A 93 25.534 -11.463 82.664 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.583 -11.110 80.280 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.211 -9.476 80.794 1.00 0.00 H new ATOM 1441 N LYS A 94 24.471 -8.439 82.965 1.00 0.00 N ATOM 1442 CA LYS A 94 24.426 -7.292 83.906 1.00 0.00 C ATOM 1443 C LYS A 94 23.873 -6.082 83.168 1.00 0.00 C ATOM 1444 O LYS A 94 22.994 -5.386 83.635 1.00 0.00 O ATOM 1445 CB LYS A 94 25.834 -6.996 84.412 1.00 0.00 C ATOM 1446 CG LYS A 94 25.757 -6.322 85.778 1.00 0.00 C ATOM 1447 CD LYS A 94 25.186 -4.901 85.639 1.00 0.00 C ATOM 1448 CE LYS A 94 23.723 -4.868 86.109 1.00 0.00 C ATOM 1449 NZ LYS A 94 23.666 -4.550 87.563 1.00 0.00 N ATOM 0 H LYS A 94 24.342 -8.201 81.982 1.00 0.00 H new ATOM 0 HA LYS A 94 23.788 -7.526 84.758 1.00 0.00 H new ATOM 0 HB2 LYS A 94 26.407 -7.920 84.483 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.357 -6.351 83.706 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.129 -6.910 86.447 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.749 -6.281 86.227 1.00 0.00 H new ATOM 0 HD2 LYS A 94 25.781 -4.203 86.228 1.00 0.00 H new ATOM 0 HD3 LYS A 94 25.249 -4.576 84.601 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.166 -4.122 85.542 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.249 -5.831 85.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.701 -4.711 87.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 24.330 -5.163 88.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.927 -3.554 87.711 1.00 0.00 H new ATOM 1463 N THR A 95 24.376 -5.849 81.997 1.00 0.00 N ATOM 1464 CA THR A 95 23.898 -4.714 81.176 1.00 0.00 C ATOM 1465 C THR A 95 23.256 -5.332 79.945 1.00 0.00 C ATOM 1466 O THR A 95 23.614 -5.046 78.823 1.00 0.00 O ATOM 1467 CB THR A 95 25.091 -3.840 80.766 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.255 -4.649 80.677 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.316 -2.741 81.808 1.00 0.00 C ATOM 0 H THR A 95 25.112 -6.408 81.566 1.00 0.00 H new ATOM 0 HA THR A 95 23.193 -4.086 81.720 1.00 0.00 H new ATOM 0 HB THR A 95 24.884 -3.380 79.800 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.019 -4.095 80.414 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.164 -2.125 81.510 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.424 -2.119 81.880 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.520 -3.195 82.778 1.00 0.00 H new ATOM 1477 N VAL A 96 22.328 -6.218 80.170 1.00 0.00 N ATOM 1478 CA VAL A 96 21.670 -6.924 79.042 1.00 0.00 C ATOM 1479 C VAL A 96 20.782 -5.964 78.246 1.00 0.00 C ATOM 1480 O VAL A 96 20.414 -6.249 77.123 1.00 0.00 O ATOM 1481 CB VAL A 96 20.784 -8.043 79.602 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.238 -8.879 78.448 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.592 -8.944 80.545 1.00 0.00 C ATOM 0 H VAL A 96 21.995 -6.484 81.097 1.00 0.00 H new ATOM 0 HA VAL A 96 22.443 -7.327 78.388 1.00 0.00 H new ATOM 0 HB VAL A 96 19.961 -7.596 80.160 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.607 -9.676 78.842 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.649 -8.244 77.786 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.067 -9.315 77.890 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.949 -9.733 80.934 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.423 -9.390 79.999 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.979 -8.350 81.373 1.00 0.00 H new ATOM 1493 N LYS A 97 20.420 -4.834 78.793 1.00 0.00 N ATOM 1494 CA LYS A 97 19.551 -3.920 78.005 1.00 0.00 C ATOM 1495 C LYS A 97 19.511 -2.495 78.586 1.00 0.00 C ATOM 1496 O LYS A 97 18.802 -1.647 78.080 1.00 0.00 O ATOM 1497 CB LYS A 97 18.140 -4.505 77.975 1.00 0.00 C ATOM 1498 CG LYS A 97 17.505 -4.256 76.602 1.00 0.00 C ATOM 1499 CD LYS A 97 17.933 -5.354 75.619 1.00 0.00 C ATOM 1500 CE LYS A 97 17.239 -5.133 74.270 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.105 -5.649 73.170 1.00 0.00 N ATOM 0 H LYS A 97 20.681 -4.512 79.725 1.00 0.00 H new ATOM 0 HA LYS A 97 19.965 -3.839 77.000 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.175 -5.575 78.181 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.531 -4.050 78.756 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.419 -4.240 76.692 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.808 -3.280 76.224 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.015 -5.339 75.490 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.673 -6.335 76.017 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.276 -5.643 74.258 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.040 -4.072 74.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.632 -5.498 72.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.014 -5.143 73.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.273 -6.666 73.309 1.00 0.00 H new ATOM 1515 N GLY A 98 20.258 -2.201 79.617 1.00 0.00 N ATOM 1516 CA GLY A 98 20.227 -0.813 80.164 1.00 0.00 C ATOM 1517 C GLY A 98 20.982 0.100 79.198 1.00 0.00 C ATOM 1518 O GLY A 98 21.624 -0.380 78.285 1.00 0.00 O ATOM 0 H GLY A 98 20.880 -2.851 80.098 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.198 -0.474 80.281 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.687 -0.784 81.152 1.00 0.00 H new ATOM 1522 N PRO A 99 20.905 1.385 79.424 1.00 0.00 N ATOM 1523 CA PRO A 99 21.602 2.356 78.569 1.00 0.00 C ATOM 1524 C PRO A 99 23.042 1.904 78.378 1.00 0.00 C ATOM 1525 O PRO A 99 23.442 1.487 77.309 1.00 0.00 O ATOM 1526 CB PRO A 99 21.534 3.678 79.346 1.00 0.00 C ATOM 1527 CG PRO A 99 20.600 3.449 80.567 1.00 0.00 C ATOM 1528 CD PRO A 99 20.146 1.975 80.538 1.00 0.00 C ATOM 0 HA PRO A 99 21.161 2.456 77.577 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.528 3.982 79.674 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.149 4.477 78.712 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.124 3.670 81.497 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.739 4.116 80.521 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.366 1.472 81.480 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.071 1.892 80.376 1.00 0.00 H new ATOM 1536 N ASP A 100 23.813 1.973 79.415 1.00 0.00 N ATOM 1537 CA ASP A 100 25.227 1.535 79.317 1.00 0.00 C ATOM 1538 C ASP A 100 25.764 1.256 80.720 1.00 0.00 C ATOM 1539 O ASP A 100 25.292 0.377 81.419 1.00 0.00 O ATOM 1540 CB ASP A 100 26.058 2.633 78.646 1.00 0.00 C ATOM 1541 CG ASP A 100 27.481 2.125 78.406 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.626 1.133 77.712 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.402 2.738 78.920 1.00 0.00 O ATOM 0 H ASP A 100 23.526 2.315 80.332 1.00 0.00 H new ATOM 0 HA ASP A 100 25.292 0.626 78.719 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.600 2.923 77.700 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.080 3.523 79.276 1.00 0.00 H new ATOM 1548 N GLY A 101 26.745 1.997 81.137 1.00 0.00 N ATOM 1549 CA GLY A 101 27.321 1.776 82.487 1.00 0.00 C ATOM 1550 C GLY A 101 26.275 2.090 83.562 1.00 0.00 C ATOM 1551 O GLY A 101 26.525 1.937 84.748 1.00 0.00 O ATOM 0 H GLY A 101 27.175 2.750 80.599 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.655 0.743 82.584 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.198 2.409 82.625 1.00 0.00 H new ATOM 1555 N LEU A 102 25.091 2.504 83.179 1.00 0.00 N ATOM 1556 CA LEU A 102 24.070 2.799 84.214 1.00 0.00 C ATOM 1557 C LEU A 102 23.960 1.610 85.115 1.00 0.00 C ATOM 1558 O LEU A 102 24.307 1.688 86.277 1.00 0.00 O ATOM 1559 CB LEU A 102 22.700 3.082 83.584 1.00 0.00 C ATOM 1560 CG LEU A 102 21.670 3.545 84.644 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.309 3.716 83.981 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.520 2.511 85.769 1.00 0.00 C ATOM 0 H LEU A 102 24.798 2.646 82.212 1.00 0.00 H new ATOM 0 HA LEU A 102 24.375 3.686 84.769 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.803 3.849 82.817 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.334 2.183 83.089 1.00 0.00 H new ATOM 0 HG LEU A 102 22.026 4.485 85.067 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.581 4.042 84.724 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.381 4.463 83.191 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.991 2.765 83.553 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.790 2.867 86.496 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.182 1.563 85.350 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.482 2.367 86.262 1.00 0.00 H new ATOM 1574 N THR A 103 23.455 0.512 84.617 1.00 0.00 N ATOM 1575 CA THR A 103 23.290 -0.666 85.493 1.00 0.00 C ATOM 1576 C THR A 103 23.294 -0.188 86.945 1.00 0.00 C ATOM 1577 O THR A 103 22.368 0.449 87.426 1.00 0.00 O ATOM 1578 CB THR A 103 24.438 -1.653 85.282 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.583 -2.451 86.449 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.743 -0.900 85.019 1.00 0.00 C ATOM 0 H THR A 103 23.155 0.388 83.650 1.00 0.00 H new ATOM 0 HA THR A 103 22.353 -1.169 85.256 1.00 0.00 H new ATOM 0 HB THR A 103 24.215 -2.283 84.421 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.516 -2.429 86.747 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.552 -1.615 84.871 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.634 -0.284 84.126 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.974 -0.263 85.873 1.00 0.00 H new ATOM 1588 N ALA A 104 24.341 -0.481 87.643 1.00 0.00 N ATOM 1589 CA ALA A 104 24.442 -0.064 89.069 1.00 0.00 C ATOM 1590 C ALA A 104 25.214 1.263 89.210 1.00 0.00 C ATOM 1591 O ALA A 104 25.013 1.997 90.151 1.00 0.00 O ATOM 1592 CB ALA A 104 25.167 -1.161 89.852 1.00 0.00 C ATOM 0 H ALA A 104 25.146 -0.998 87.288 1.00 0.00 H new ATOM 0 HA ALA A 104 23.437 0.087 89.462 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.248 -0.868 90.899 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.606 -2.092 89.778 1.00 0.00 H new ATOM 0 HB3 ALA A 104 26.165 -1.305 89.438 1.00 0.00 H new ATOM 1598 N LEU A 105 26.124 1.553 88.311 1.00 0.00 N ATOM 1599 CA LEU A 105 26.937 2.793 88.439 1.00 0.00 C ATOM 1600 C LEU A 105 26.071 4.049 88.580 1.00 0.00 C ATOM 1601 O LEU A 105 26.077 4.702 89.608 1.00 0.00 O ATOM 1602 CB LEU A 105 27.804 2.962 87.196 1.00 0.00 C ATOM 1603 CG LEU A 105 28.475 1.640 86.816 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.455 1.893 85.670 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.231 1.069 88.020 1.00 0.00 C ATOM 0 H LEU A 105 26.336 0.980 87.494 1.00 0.00 H new ATOM 0 HA LEU A 105 27.541 2.685 89.340 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.192 3.316 86.366 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.564 3.721 87.378 1.00 0.00 H new ATOM 0 HG LEU A 105 27.715 0.923 86.505 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.939 0.957 85.392 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.915 2.292 84.811 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.211 2.611 85.989 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.705 0.128 87.739 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.994 1.778 88.340 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.533 0.893 88.838 1.00 0.00 H new ATOM 1617 N GLU A 106 25.365 4.419 87.548 1.00 0.00 N ATOM 1618 CA GLU A 106 24.552 5.656 87.611 1.00 0.00 C ATOM 1619 C GLU A 106 23.221 5.390 88.318 1.00 0.00 C ATOM 1620 O GLU A 106 22.398 6.278 88.458 1.00 0.00 O ATOM 1621 CB GLU A 106 24.269 6.133 86.183 1.00 0.00 C ATOM 1622 CG GLU A 106 25.567 6.165 85.373 1.00 0.00 C ATOM 1623 CD GLU A 106 26.449 7.311 85.870 1.00 0.00 C ATOM 1624 OE1 GLU A 106 27.235 7.078 86.772 1.00 0.00 O ATOM 1625 OE2 GLU A 106 26.325 8.401 85.336 1.00 0.00 O ATOM 0 H GLU A 106 25.319 3.914 86.663 1.00 0.00 H new ATOM 0 HA GLU A 106 25.102 6.414 88.168 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.549 5.468 85.705 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.820 7.126 86.205 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.094 5.216 85.473 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.344 6.296 84.314 1.00 0.00 H new ATOM 1632 N ALA A 107 22.980 4.180 88.742 1.00 0.00 N ATOM 1633 CA ALA A 107 21.677 3.888 89.408 1.00 0.00 C ATOM 1634 C ALA A 107 21.628 4.373 90.863 1.00 0.00 C ATOM 1635 O ALA A 107 20.648 4.958 91.275 1.00 0.00 O ATOM 1636 CB ALA A 107 21.423 2.384 89.404 1.00 0.00 C ATOM 0 H ALA A 107 23.619 3.389 88.658 1.00 0.00 H new ATOM 0 HA ALA A 107 20.914 4.424 88.844 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.471 2.175 89.891 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.392 2.023 88.376 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.225 1.878 89.942 1.00 0.00 H new ATOM 1642 N THR A 108 22.613 4.094 91.675 1.00 0.00 N ATOM 1643 CA THR A 108 22.483 4.516 93.100 1.00 0.00 C ATOM 1644 C THR A 108 23.826 4.701 93.798 1.00 0.00 C ATOM 1645 O THR A 108 24.860 4.909 93.196 1.00 0.00 O ATOM 1646 CB THR A 108 21.749 3.399 93.833 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.536 3.774 95.187 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.612 2.133 93.783 1.00 0.00 C ATOM 0 H THR A 108 23.475 3.609 91.426 1.00 0.00 H new ATOM 0 HA THR A 108 21.962 5.473 93.118 1.00 0.00 H new ATOM 0 HB THR A 108 20.785 3.215 93.359 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.292 4.722 95.229 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.101 1.323 94.304 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.780 1.848 92.744 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.570 2.326 94.265 1.00 0.00 H new ATOM 1656 N ASP A 109 23.779 4.594 95.102 1.00 0.00 N ATOM 1657 CA ASP A 109 24.987 4.717 95.945 1.00 0.00 C ATOM 1658 C ASP A 109 24.852 3.732 97.110 1.00 0.00 C ATOM 1659 O ASP A 109 25.722 3.633 97.952 1.00 0.00 O ATOM 1660 CB ASP A 109 25.124 6.148 96.478 1.00 0.00 C ATOM 1661 CG ASP A 109 26.235 6.198 97.532 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.384 6.329 97.147 1.00 0.00 O ATOM 1663 OD2 ASP A 109 25.915 6.105 98.706 1.00 0.00 O ATOM 0 H ASP A 109 22.921 4.421 95.625 1.00 0.00 H new ATOM 0 HA ASP A 109 25.877 4.491 95.358 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.353 6.831 95.660 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.180 6.477 96.913 1.00 0.00 H new ATOM 1668 N ASN A 110 23.781 2.963 97.142 1.00 0.00 N ATOM 1669 CA ASN A 110 23.637 1.956 98.231 1.00 0.00 C ATOM 1670 C ASN A 110 24.579 0.815 97.870 1.00 0.00 C ATOM 1671 O ASN A 110 24.703 0.444 96.721 1.00 0.00 O ATOM 1672 CB ASN A 110 22.184 1.462 98.345 1.00 0.00 C ATOM 1673 CG ASN A 110 21.643 1.098 96.972 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.434 0.538 96.118 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.486 1.323 96.678 1.00 0.00 N flip ATOM 0 H ASN A 110 23.016 2.994 96.468 1.00 0.00 H new ATOM 0 HA ASN A 110 23.886 2.384 99.202 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.138 0.595 99.004 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.563 2.237 98.795 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.864 1.765 97.355 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.136 1.070 95.754 1.00 0.00 H new ATOM 1682 N GLN A 111 25.303 0.314 98.816 1.00 0.00 N ATOM 1683 CA GLN A 111 26.309 -0.741 98.506 1.00 0.00 C ATOM 1684 C GLN A 111 25.674 -2.118 98.228 1.00 0.00 C ATOM 1685 O GLN A 111 26.374 -3.095 98.055 1.00 0.00 O ATOM 1686 CB GLN A 111 27.288 -0.809 99.679 1.00 0.00 C ATOM 1687 CG GLN A 111 28.228 -2.003 99.526 1.00 0.00 C ATOM 1688 CD GLN A 111 29.474 -1.750 100.374 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.392 -1.681 101.583 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.629 -1.591 99.790 1.00 0.00 N ATOM 0 H GLN A 111 25.247 0.586 99.798 1.00 0.00 H new ATOM 0 HA GLN A 111 26.827 -0.475 97.585 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.868 0.113 99.730 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.737 -0.891 100.616 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.732 -2.919 99.846 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.503 -2.137 98.480 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.699 -1.649 98.774 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.462 -1.409 100.349 1.00 0.00 H new ATOM 1699 N ALA A 112 24.373 -2.220 98.150 1.00 0.00 N ATOM 1700 CA ALA A 112 23.755 -3.553 97.862 1.00 0.00 C ATOM 1701 C ALA A 112 23.746 -3.786 96.350 1.00 0.00 C ATOM 1702 O ALA A 112 24.236 -4.785 95.834 1.00 0.00 O ATOM 1703 CB ALA A 112 22.316 -3.574 98.381 1.00 0.00 C ATOM 0 H ALA A 112 23.716 -1.449 98.271 1.00 0.00 H new ATOM 0 HA ALA A 112 24.332 -4.335 98.355 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.867 -4.545 98.171 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.315 -3.399 99.457 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.739 -2.793 97.886 1.00 0.00 H new ATOM 1709 N ILE A 113 23.215 -2.850 95.645 1.00 0.00 N ATOM 1710 CA ILE A 113 23.166 -2.948 94.166 1.00 0.00 C ATOM 1711 C ILE A 113 24.587 -2.964 93.649 1.00 0.00 C ATOM 1712 O ILE A 113 24.974 -3.783 92.833 1.00 0.00 O ATOM 1713 CB ILE A 113 22.495 -1.689 93.622 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.976 -1.826 93.667 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.946 -1.453 92.182 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.432 -1.187 94.944 1.00 0.00 C ATOM 0 H ILE A 113 22.802 -2.001 96.032 1.00 0.00 H new ATOM 0 HA ILE A 113 22.624 -3.843 93.862 1.00 0.00 H new ATOM 0 HB ILE A 113 22.786 -0.842 94.243 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.533 -1.347 92.794 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.696 -2.879 93.629 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.467 -0.554 91.793 1.00 0.00 H new ATOM 0 HG22 ILE A 113 24.028 -1.328 92.156 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.665 -2.308 91.568 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.347 -1.289 94.968 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.863 -1.685 95.812 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.697 -0.130 94.964 1.00 0.00 H new ATOM 1728 N LYS A 114 25.365 -2.044 94.118 1.00 0.00 N ATOM 1729 CA LYS A 114 26.763 -1.965 93.670 1.00 0.00 C ATOM 1730 C LYS A 114 27.378 -3.360 93.785 1.00 0.00 C ATOM 1731 O LYS A 114 28.413 -3.644 93.216 1.00 0.00 O ATOM 1732 CB LYS A 114 27.508 -0.950 94.543 1.00 0.00 C ATOM 1733 CG LYS A 114 26.745 0.385 94.523 1.00 0.00 C ATOM 1734 CD LYS A 114 26.919 1.063 93.162 1.00 0.00 C ATOM 1735 CE LYS A 114 26.511 2.533 93.268 1.00 0.00 C ATOM 1736 NZ LYS A 114 26.733 3.215 91.960 1.00 0.00 N ATOM 0 H LYS A 114 25.087 -1.338 94.799 1.00 0.00 H new ATOM 0 HA LYS A 114 26.831 -1.634 92.634 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.590 -1.321 95.565 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.523 -0.809 94.173 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.687 0.212 94.721 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.115 1.037 95.314 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.956 0.985 92.835 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.310 0.559 92.412 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.462 2.609 93.555 1.00 0.00 H new ATOM 0 HE3 LYS A 114 27.091 3.026 94.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 26.258 4.140 91.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.753 3.351 91.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 26.344 2.630 91.193 1.00 0.00 H new ATOM 1750 N ALA A 115 26.723 -4.243 94.504 1.00 0.00 N ATOM 1751 CA ALA A 115 27.240 -5.627 94.633 1.00 0.00 C ATOM 1752 C ALA A 115 27.127 -6.324 93.280 1.00 0.00 C ATOM 1753 O ALA A 115 27.933 -7.157 92.935 1.00 0.00 O ATOM 1754 CB ALA A 115 26.438 -6.400 95.681 1.00 0.00 C ATOM 0 H ALA A 115 25.854 -4.056 95.004 1.00 0.00 H new ATOM 0 HA ALA A 115 28.282 -5.595 94.950 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.830 -7.414 95.764 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.521 -5.899 96.645 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.391 -6.439 95.382 1.00 0.00 H new ATOM 1760 N LEU A 116 26.136 -5.995 92.490 1.00 0.00 N ATOM 1761 CA LEU A 116 26.039 -6.661 91.156 1.00 0.00 C ATOM 1762 C LEU A 116 27.204 -6.166 90.297 1.00 0.00 C ATOM 1763 O LEU A 116 27.727 -6.886 89.471 1.00 0.00 O ATOM 1764 CB LEU A 116 24.709 -6.310 90.459 1.00 0.00 C ATOM 1765 CG LEU A 116 23.678 -7.444 90.604 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.425 -7.087 89.798 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.248 -8.769 90.072 1.00 0.00 C ATOM 0 H LEU A 116 25.408 -5.313 92.702 1.00 0.00 H new ATOM 0 HA LEU A 116 26.078 -7.742 91.287 1.00 0.00 H new ATOM 0 HB2 LEU A 116 24.304 -5.393 90.886 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.891 -6.116 89.402 1.00 0.00 H new ATOM 0 HG LEU A 116 23.435 -7.562 91.660 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.690 -7.886 89.896 1.00 0.00 H new ATOM 0 HD12 LEU A 116 22.002 -6.156 90.176 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.690 -6.965 88.748 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.503 -9.557 90.184 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.503 -8.658 89.018 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.143 -9.033 90.636 1.00 0.00 H new ATOM 1779 N LEU A 117 27.628 -4.949 90.504 1.00 0.00 N ATOM 1780 CA LEU A 117 28.778 -4.423 89.716 1.00 0.00 C ATOM 1781 C LEU A 117 30.053 -4.976 90.349 1.00 0.00 C ATOM 1782 O LEU A 117 31.162 -4.638 89.988 1.00 0.00 O ATOM 1783 CB LEU A 117 28.741 -2.881 89.727 1.00 0.00 C ATOM 1784 CG LEU A 117 29.766 -2.278 90.708 1.00 0.00 C ATOM 1785 CD1 LEU A 117 31.141 -2.140 90.027 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.296 -0.882 91.135 1.00 0.00 C ATOM 0 H LEU A 117 27.230 -4.299 91.182 1.00 0.00 H new ATOM 0 HA LEU A 117 28.735 -4.735 88.673 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.940 -2.508 88.722 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.740 -2.546 89.999 1.00 0.00 H new ATOM 0 HG LEU A 117 29.851 -2.936 91.573 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.855 -1.713 90.731 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.489 -3.122 89.708 1.00 0.00 H new ATOM 0 HD13 LEU A 117 31.053 -1.487 89.159 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.018 -0.452 91.829 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.211 -0.242 90.257 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.325 -0.959 91.623 1.00 0.00 H new ATOM 1798 N GLN A 118 29.872 -5.856 91.288 1.00 0.00 N ATOM 1799 CA GLN A 118 31.021 -6.492 91.976 1.00 0.00 C ATOM 1800 C GLN A 118 31.702 -7.481 91.028 1.00 0.00 C ATOM 1801 O GLN A 118 31.379 -8.656 91.101 1.00 0.00 O ATOM 1802 CB GLN A 118 30.497 -7.249 93.191 1.00 0.00 C ATOM 1803 CG GLN A 118 31.658 -7.830 93.974 1.00 0.00 C ATOM 1804 CD GLN A 118 31.164 -8.341 95.330 1.00 0.00 C ATOM 1805 OE1 GLN A 118 31.880 -8.293 96.310 1.00 0.00 O ATOM 1806 NE2 GLN A 118 29.962 -8.837 95.423 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.533 -7.049 90.248 1.00 0.00 O ATOM 0 H GLN A 118 28.957 -6.167 91.613 1.00 0.00 H new ATOM 0 HA GLN A 118 31.739 -5.731 92.282 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.917 -6.579 93.826 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.826 -8.047 92.872 1.00 0.00 H new ATOM 0 HG2 GLN A 118 32.116 -8.645 93.413 1.00 0.00 H new ATOM 0 HG3 GLN A 118 32.427 -7.071 94.119 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.362 -8.877 94.599 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.622 -9.185 96.319 1.00 0.00 H new