USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=31 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 31:sc= 0.138! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -16.8! C(o=-22!,f=-17!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -142:sc= -0.79 (180deg=-3.33!) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -2.3 K(o=-3.1,f=-6.3) USER MOD Single : A 4 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.643) USER MOD Single : A 7 MET CE :methyl -117:sc=-0.00885 (180deg=-0.266) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0197 (180deg=-0.782) USER MOD Single : A 12 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.9!) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.0153 (180deg=-0.197) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0989) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.3 F(o=-4.8!,f=-1.3) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 40 HIS : no HD1:sc= -0.575 X(o=-0.58,f=-0.42) USER MOD Single : A 41 TYR OH : rot 180:sc= -1.43 USER MOD Single : A 45 CYS SG : rot 4:sc= -0.426! USER MOD Single : A 47 GLN :FLIP amide:sc= -3.61! C(o=-5.2!,f=-3.6!) USER MOD Single : A 57 LYS NZ :NH3+ 136:sc= 0.851 (180deg=-0.697) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.574! C(o=-12!,f=-0.57!) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.558) USER MOD Single : A 68 HIS : no HE2:sc= -4! C(o=-4!,f=-13!) USER MOD Single : A 70 THR OG1 : rot -171:sc= -9.44! USER MOD Single : A 74 SER OG : rot -94:sc= -0.639 USER MOD Single : A 77 TYR OH : rot -130:sc= -0.231 USER MOD Single : A 80 HIS : no HD1:sc= -4.05! C(o=-4.1!,f=-7.1!) USER MOD Single : A 82 SER OG : rot 160:sc= 0 USER MOD Single : A 83 CYS SG : rot -172:sc= -2.85! USER MOD Single : A 85 LYS NZ :NH3+ -160:sc= -0.0565 (180deg=-0.694) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -113:sc= -4.62! (180deg=-6.88!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= -0.0821 (180deg=-0.0821) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.996 USER MOD Single : A 97 LYS NZ :NH3+ 161:sc= -0.115 (180deg=-0.771) USER MOD Single : A 103 THR OG1 : rot -143:sc= -0.155! USER MOD Single : A 111 GLN : amide:sc= -2.47 K(o=-2.5,f=-4.2!) USER MOD Single : A 114 LYS NZ :NH3+ 152:sc= -0.627 (180deg=-1.75) USER MOD Single : A 118 GLN :FLIP amide:sc=-0.00312 F(o=-1.5!,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.137 -8.089 86.513 1.00 0.00 N ATOM 44 CA LYS A 4 -6.947 -7.661 87.921 1.00 0.00 C ATOM 45 C LYS A 4 -6.256 -8.764 88.727 1.00 0.00 C ATOM 46 O LYS A 4 -5.122 -8.623 89.141 1.00 0.00 O ATOM 47 CB LYS A 4 -8.313 -7.342 88.518 1.00 0.00 C ATOM 48 CG LYS A 4 -9.040 -6.354 87.592 1.00 0.00 C ATOM 49 CD LYS A 4 -10.162 -5.644 88.361 1.00 0.00 C ATOM 50 CE LYS A 4 -11.194 -5.070 87.382 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.503 -4.529 86.176 1.00 0.00 N ATOM 0 HA LYS A 4 -6.313 -6.775 87.955 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.898 -8.255 88.630 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.199 -6.912 89.513 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.334 -5.621 87.203 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.454 -6.884 86.734 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.646 -6.344 89.042 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.744 -4.843 88.971 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.901 -5.846 87.089 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.769 -4.281 87.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.124 -3.845 85.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.623 -4.056 86.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.280 -5.309 85.525 1.00 0.00 H new ATOM 65 N GLU A 5 -6.925 -9.857 88.959 1.00 0.00 N ATOM 66 CA GLU A 5 -6.303 -10.961 89.746 1.00 0.00 C ATOM 67 C GLU A 5 -4.954 -11.354 89.133 1.00 0.00 C ATOM 68 O GLU A 5 -4.116 -11.938 89.792 1.00 0.00 O ATOM 69 CB GLU A 5 -7.237 -12.181 89.736 1.00 0.00 C ATOM 70 CG GLU A 5 -8.338 -11.997 90.783 1.00 0.00 C ATOM 71 CD GLU A 5 -9.380 -13.108 90.632 1.00 0.00 C ATOM 72 OE1 GLU A 5 -10.127 -13.065 89.669 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.412 -13.982 91.483 1.00 0.00 O ATOM 0 H GLU A 5 -7.877 -10.036 88.638 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.144 -10.621 90.769 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.679 -12.304 88.747 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.669 -13.087 89.947 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.909 -12.020 91.785 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.810 -11.022 90.661 1.00 0.00 H new ATOM 80 N PHE A 6 -4.742 -11.069 87.879 1.00 0.00 N ATOM 81 CA PHE A 6 -3.451 -11.466 87.246 1.00 0.00 C ATOM 82 C PHE A 6 -2.297 -10.604 87.786 1.00 0.00 C ATOM 83 O PHE A 6 -1.408 -11.111 88.440 1.00 0.00 O ATOM 84 CB PHE A 6 -3.559 -11.346 85.717 1.00 0.00 C ATOM 85 CG PHE A 6 -2.193 -11.437 85.052 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.214 -12.334 85.517 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.914 -10.618 83.950 1.00 0.00 C ATOM 88 CE1 PHE A 6 0.032 -12.403 84.880 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.669 -10.690 83.316 1.00 0.00 C ATOM 90 CZ PHE A 6 0.304 -11.580 83.781 1.00 0.00 C ATOM 0 H PHE A 6 -5.399 -10.583 87.269 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.238 -12.505 87.498 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.205 -12.136 85.334 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.028 -10.397 85.458 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.423 -12.969 86.365 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.663 -9.929 83.589 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.783 -13.092 85.237 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.459 -10.057 82.466 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.266 -11.632 83.292 1.00 0.00 H new ATOM 100 N MET A 7 -2.277 -9.315 87.530 1.00 0.00 N ATOM 101 CA MET A 7 -1.139 -8.500 88.062 1.00 0.00 C ATOM 102 C MET A 7 -1.249 -8.410 89.583 1.00 0.00 C ATOM 103 O MET A 7 -0.261 -8.379 90.288 1.00 0.00 O ATOM 104 CB MET A 7 -1.100 -7.094 87.410 1.00 0.00 C ATOM 105 CG MET A 7 -2.001 -6.081 88.133 1.00 0.00 C ATOM 106 SD MET A 7 -3.721 -6.613 88.006 1.00 0.00 S ATOM 107 CE MET A 7 -4.030 -6.054 86.308 1.00 0.00 C ATOM 0 H MET A 7 -2.978 -8.805 86.992 1.00 0.00 H new ATOM 0 HA MET A 7 -0.200 -8.991 87.806 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.074 -6.726 87.410 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.411 -7.172 86.368 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.710 -6.001 89.180 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.881 -5.091 87.692 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.805 -5.287 86.313 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.113 -5.641 85.888 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.358 -6.898 85.701 1.00 0.00 H new ATOM 117 N TRP A 8 -2.446 -8.364 90.093 1.00 0.00 N ATOM 118 CA TRP A 8 -2.623 -8.272 91.568 1.00 0.00 C ATOM 119 C TRP A 8 -1.857 -9.404 92.257 1.00 0.00 C ATOM 120 O TRP A 8 -1.674 -9.397 93.458 1.00 0.00 O ATOM 121 CB TRP A 8 -4.109 -8.384 91.911 1.00 0.00 C ATOM 122 CG TRP A 8 -4.326 -7.999 93.339 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.378 -8.864 94.377 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.524 -6.670 93.901 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.595 -8.151 95.542 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.692 -6.795 95.301 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.572 -5.382 93.339 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.902 -5.681 96.114 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.785 -4.258 94.155 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.948 -4.408 95.539 1.00 0.00 C ATOM 0 H TRP A 8 -3.311 -8.386 89.552 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.237 -7.314 91.915 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.693 -7.737 91.257 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.455 -9.404 91.742 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.268 -9.936 94.308 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.674 -8.575 96.466 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.444 -5.256 92.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.028 -5.801 97.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.823 -3.273 93.713 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.109 -3.540 96.161 1.00 0.00 H new ATOM 141 N ALA A 9 -1.412 -10.384 91.516 1.00 0.00 N ATOM 142 CA ALA A 9 -0.670 -11.508 92.129 1.00 0.00 C ATOM 143 C ALA A 9 0.817 -11.181 92.166 1.00 0.00 C ATOM 144 O ALA A 9 1.460 -11.281 93.192 1.00 0.00 O ATOM 145 CB ALA A 9 -0.903 -12.755 91.294 1.00 0.00 C ATOM 0 H ALA A 9 -1.535 -10.448 90.505 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.019 -11.674 93.148 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.362 -13.593 91.733 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.969 -12.983 91.270 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.546 -12.585 90.278 1.00 0.00 H new ATOM 151 N LEU A 10 1.368 -10.771 91.058 1.00 0.00 N ATOM 152 CA LEU A 10 2.811 -10.417 91.040 1.00 0.00 C ATOM 153 C LEU A 10 3.028 -9.310 92.071 1.00 0.00 C ATOM 154 O LEU A 10 4.135 -8.906 92.366 1.00 0.00 O ATOM 155 CB LEU A 10 3.226 -9.922 89.640 1.00 0.00 C ATOM 156 CG LEU A 10 3.061 -11.051 88.583 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.696 -10.948 87.891 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.160 -10.956 87.500 1.00 0.00 C ATOM 0 H LEU A 10 0.882 -10.666 90.167 1.00 0.00 H new ATOM 0 HA LEU A 10 3.417 -11.291 91.279 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.618 -9.062 89.358 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.263 -9.586 89.661 1.00 0.00 H new ATOM 0 HG LEU A 10 3.142 -12.002 89.109 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.600 -11.746 87.155 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.904 -11.042 88.634 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.613 -9.983 87.392 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.024 -11.756 86.772 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.092 -9.992 86.996 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.140 -11.053 87.967 1.00 0.00 H new ATOM 170 N LYS A 11 1.945 -8.811 92.586 1.00 0.00 N ATOM 171 CA LYS A 11 1.974 -7.705 93.578 1.00 0.00 C ATOM 172 C LYS A 11 2.038 -8.220 95.029 1.00 0.00 C ATOM 173 O LYS A 11 3.030 -8.065 95.714 1.00 0.00 O ATOM 174 CB LYS A 11 0.672 -6.942 93.374 1.00 0.00 C ATOM 175 CG LYS A 11 0.356 -6.038 94.579 1.00 0.00 C ATOM 176 CD LYS A 11 -0.635 -4.943 94.165 1.00 0.00 C ATOM 177 CE LYS A 11 -1.300 -4.355 95.413 1.00 0.00 C ATOM 178 NZ LYS A 11 -0.288 -4.224 96.500 1.00 0.00 N ATOM 0 H LYS A 11 1.007 -9.136 92.352 1.00 0.00 H new ATOM 0 HA LYS A 11 2.861 -7.090 93.429 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.741 -6.336 92.471 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.145 -7.647 93.222 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.064 -6.633 95.390 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.273 -5.586 94.956 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.117 -4.159 93.613 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.391 -5.356 93.498 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.731 -3.381 95.184 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.118 -4.997 95.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.616 -3.525 97.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.159 -5.144 96.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.617 -3.911 96.095 1.00 0.00 H new ATOM 192 N ASN A 12 0.952 -8.773 95.514 1.00 0.00 N ATOM 193 CA ASN A 12 0.901 -9.231 96.936 1.00 0.00 C ATOM 194 C ASN A 12 1.513 -10.614 97.094 1.00 0.00 C ATOM 195 O ASN A 12 1.355 -11.257 98.112 1.00 0.00 O ATOM 196 CB ASN A 12 -0.552 -9.270 97.400 1.00 0.00 C ATOM 197 CG ASN A 12 -0.597 -9.451 98.918 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.601 -10.563 99.409 1.00 0.00 O ATOM 199 ND2 ASN A 12 -0.628 -8.398 99.688 1.00 0.00 N ATOM 0 H ASN A 12 0.095 -8.927 94.982 1.00 0.00 H new ATOM 0 HA ASN A 12 1.476 -8.530 97.542 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.060 -8.348 97.118 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.080 -10.088 96.910 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.656 -8.508 100.702 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.625 -7.465 99.276 1.00 0.00 H new ATOM 206 N GLY A 13 2.228 -11.069 96.120 1.00 0.00 N ATOM 207 CA GLY A 13 2.870 -12.392 96.242 1.00 0.00 C ATOM 208 C GLY A 13 1.854 -13.519 96.100 1.00 0.00 C ATOM 209 O GLY A 13 2.096 -14.618 96.555 1.00 0.00 O ATOM 0 H GLY A 13 2.397 -10.581 95.241 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.640 -12.496 95.478 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.368 -12.469 97.209 1.00 0.00 H new ATOM 213 N ASP A 14 0.734 -13.290 95.462 1.00 0.00 N ATOM 214 CA ASP A 14 -0.227 -14.408 95.290 1.00 0.00 C ATOM 215 C ASP A 14 0.390 -15.350 94.282 1.00 0.00 C ATOM 216 O ASP A 14 -0.183 -15.691 93.265 1.00 0.00 O ATOM 217 CB ASP A 14 -1.579 -13.915 94.783 1.00 0.00 C ATOM 218 CG ASP A 14 -1.924 -12.580 95.439 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.470 -12.357 96.548 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.642 -11.807 94.826 1.00 0.00 O ATOM 0 H ASP A 14 0.452 -12.395 95.062 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.411 -14.898 96.246 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.551 -13.801 93.699 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.352 -14.651 95.007 1.00 0.00 H new ATOM 225 N LEU A 15 1.580 -15.730 94.568 1.00 0.00 N ATOM 226 CA LEU A 15 2.346 -16.609 93.686 1.00 0.00 C ATOM 227 C LEU A 15 1.471 -17.792 93.245 1.00 0.00 C ATOM 228 O LEU A 15 1.633 -18.358 92.186 1.00 0.00 O ATOM 229 CB LEU A 15 3.584 -17.039 94.477 1.00 0.00 C ATOM 230 CG LEU A 15 4.485 -17.978 93.669 1.00 0.00 C ATOM 231 CD1 LEU A 15 3.880 -19.386 93.573 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.714 -17.390 92.266 1.00 0.00 C ATOM 0 H LEU A 15 2.075 -15.454 95.416 1.00 0.00 H new ATOM 0 HA LEU A 15 2.660 -16.113 92.768 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.151 -16.156 94.770 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.272 -17.537 95.395 1.00 0.00 H new ATOM 0 HG LEU A 15 5.442 -18.068 94.183 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.543 -20.028 92.994 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.759 -19.799 94.574 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.908 -19.332 93.083 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.355 -18.059 91.692 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.756 -17.279 91.757 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.193 -16.415 92.354 1.00 0.00 H new ATOM 244 N ASP A 16 0.531 -18.144 94.051 1.00 0.00 N ATOM 245 CA ASP A 16 -0.386 -19.259 93.713 1.00 0.00 C ATOM 246 C ASP A 16 -1.219 -18.911 92.468 1.00 0.00 C ATOM 247 O ASP A 16 -1.589 -19.775 91.698 1.00 0.00 O ATOM 248 CB ASP A 16 -1.324 -19.481 94.895 1.00 0.00 C ATOM 249 CG ASP A 16 -0.517 -19.494 96.193 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.222 -20.443 96.398 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.652 -18.556 96.961 1.00 0.00 O ATOM 0 H ASP A 16 0.350 -17.700 94.951 1.00 0.00 H new ATOM 0 HA ASP A 16 0.195 -20.158 93.504 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.075 -18.692 94.930 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.858 -20.424 94.777 1.00 0.00 H new ATOM 256 N GLU A 17 -1.535 -17.656 92.277 1.00 0.00 N ATOM 257 CA GLU A 17 -2.359 -17.251 91.109 1.00 0.00 C ATOM 258 C GLU A 17 -1.510 -17.223 89.844 1.00 0.00 C ATOM 259 O GLU A 17 -1.896 -17.743 88.814 1.00 0.00 O ATOM 260 CB GLU A 17 -2.868 -15.845 91.368 1.00 0.00 C ATOM 261 CG GLU A 17 -3.782 -15.375 90.229 1.00 0.00 C ATOM 262 CD GLU A 17 -5.198 -15.919 90.435 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.876 -15.429 91.323 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.581 -16.816 89.701 1.00 0.00 O ATOM 0 H GLU A 17 -1.252 -16.890 92.889 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.177 -17.959 90.976 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.413 -15.819 92.311 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.025 -15.162 91.469 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.804 -14.286 90.195 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.388 -15.716 89.272 1.00 0.00 H new ATOM 271 N VAL A 18 -0.370 -16.598 89.896 1.00 0.00 N ATOM 272 CA VAL A 18 0.469 -16.528 88.673 1.00 0.00 C ATOM 273 C VAL A 18 0.860 -17.968 88.314 1.00 0.00 C ATOM 274 O VAL A 18 1.105 -18.309 87.173 1.00 0.00 O ATOM 275 CB VAL A 18 1.757 -15.689 88.943 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.667 -14.255 88.377 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.994 -15.608 90.442 1.00 0.00 C ATOM 0 H VAL A 18 0.013 -16.138 90.722 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.079 -16.051 87.861 1.00 0.00 H new ATOM 0 HB VAL A 18 2.581 -16.192 88.437 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.591 -13.719 88.595 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.518 -14.298 87.298 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.828 -13.734 88.838 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.893 -15.023 90.637 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.139 -15.130 90.920 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.121 -16.613 90.845 1.00 0.00 H new ATOM 287 N LYS A 19 0.920 -18.806 89.303 1.00 0.00 N ATOM 288 CA LYS A 19 1.292 -20.223 89.081 1.00 0.00 C ATOM 289 C LYS A 19 0.216 -20.907 88.227 1.00 0.00 C ATOM 290 O LYS A 19 0.482 -21.829 87.485 1.00 0.00 O ATOM 291 CB LYS A 19 1.403 -20.879 90.472 1.00 0.00 C ATOM 292 CG LYS A 19 1.729 -22.385 90.401 1.00 0.00 C ATOM 293 CD LYS A 19 3.230 -22.610 90.172 1.00 0.00 C ATOM 294 CE LYS A 19 4.012 -22.572 91.493 1.00 0.00 C ATOM 295 NZ LYS A 19 3.744 -23.817 92.269 1.00 0.00 N ATOM 0 H LYS A 19 0.723 -18.564 90.274 1.00 0.00 H new ATOM 0 HA LYS A 19 2.239 -20.315 88.548 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.178 -20.371 91.047 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.465 -20.740 91.009 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.421 -22.872 91.326 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.161 -22.847 89.594 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.385 -23.572 89.684 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.615 -21.845 89.498 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.079 -22.479 91.293 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.720 -21.698 92.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.490 -23.949 92.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.822 -23.739 92.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.733 -24.633 91.624 1.00 0.00 H new ATOM 309 N ASP A 20 -0.998 -20.466 88.355 1.00 0.00 N ATOM 310 CA ASP A 20 -2.129 -21.080 87.601 1.00 0.00 C ATOM 311 C ASP A 20 -2.097 -20.769 86.090 1.00 0.00 C ATOM 312 O ASP A 20 -2.206 -21.661 85.271 1.00 0.00 O ATOM 313 CB ASP A 20 -3.438 -20.564 88.194 1.00 0.00 C ATOM 314 CG ASP A 20 -4.622 -21.239 87.500 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.828 -22.418 87.737 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.302 -20.565 86.744 1.00 0.00 O ATOM 0 H ASP A 20 -1.264 -19.690 88.962 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.040 -22.162 87.698 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.468 -20.767 89.265 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.502 -19.483 88.073 1.00 0.00 H new ATOM 321 N TYR A 21 -2.012 -19.530 85.690 1.00 0.00 N ATOM 322 CA TYR A 21 -2.048 -19.254 84.228 1.00 0.00 C ATOM 323 C TYR A 21 -0.846 -19.877 83.501 1.00 0.00 C ATOM 324 O TYR A 21 -1.016 -20.537 82.496 1.00 0.00 O ATOM 325 CB TYR A 21 -2.141 -17.744 83.978 1.00 0.00 C ATOM 326 CG TYR A 21 -0.786 -17.101 84.042 1.00 0.00 C ATOM 327 CD1 TYR A 21 -0.195 -16.928 85.276 1.00 0.00 C ATOM 328 CD2 TYR A 21 -0.142 -16.664 82.878 1.00 0.00 C ATOM 329 CE1 TYR A 21 1.054 -16.314 85.377 1.00 0.00 C ATOM 330 CE2 TYR A 21 1.114 -16.051 82.967 1.00 0.00 C ATOM 331 CZ TYR A 21 1.714 -15.875 84.221 1.00 0.00 C ATOM 332 OH TYR A 21 2.949 -15.267 84.316 1.00 0.00 O ATOM 0 H TYR A 21 -1.921 -18.715 86.296 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.940 -19.725 83.814 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.588 -17.561 83.001 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.798 -17.289 84.719 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.701 -17.269 86.167 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.612 -16.799 81.915 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.512 -16.177 86.345 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.618 -15.715 82.073 1.00 0.00 H new ATOM 0 HH TYR A 21 3.265 -15.026 83.420 1.00 0.00 H new ATOM 342 N VAL A 22 0.363 -19.690 83.965 1.00 0.00 N ATOM 343 CA VAL A 22 1.505 -20.307 83.226 1.00 0.00 C ATOM 344 C VAL A 22 1.450 -21.829 83.373 1.00 0.00 C ATOM 345 O VAL A 22 1.961 -22.555 82.543 1.00 0.00 O ATOM 346 CB VAL A 22 2.851 -19.754 83.722 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.123 -20.167 85.159 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.986 -20.289 82.845 1.00 0.00 C ATOM 0 H VAL A 22 0.605 -19.154 84.798 1.00 0.00 H new ATOM 0 HA VAL A 22 1.418 -20.050 82.170 1.00 0.00 H new ATOM 0 HB VAL A 22 2.801 -18.667 83.666 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.082 -19.760 85.479 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.332 -19.783 85.804 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.150 -21.255 85.226 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.938 -19.894 83.201 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.003 -21.378 82.896 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.827 -19.977 81.813 1.00 0.00 H new ATOM 358 N ALA A 23 0.813 -22.335 84.400 1.00 0.00 N ATOM 359 CA ALA A 23 0.733 -23.813 84.541 1.00 0.00 C ATOM 360 C ALA A 23 0.173 -24.361 83.238 1.00 0.00 C ATOM 361 O ALA A 23 0.423 -25.486 82.852 1.00 0.00 O ATOM 362 CB ALA A 23 -0.202 -24.175 85.691 1.00 0.00 C ATOM 0 H ALA A 23 0.353 -21.795 85.133 1.00 0.00 H new ATOM 0 HA ALA A 23 1.717 -24.233 84.751 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.256 -25.259 85.789 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.178 -23.746 86.618 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.197 -23.779 85.489 1.00 0.00 H new ATOM 368 N LYS A 24 -0.560 -23.541 82.546 1.00 0.00 N ATOM 369 CA LYS A 24 -1.127 -23.959 81.239 1.00 0.00 C ATOM 370 C LYS A 24 0.005 -24.498 80.367 1.00 0.00 C ATOM 371 O LYS A 24 0.229 -25.689 80.280 1.00 0.00 O ATOM 372 CB LYS A 24 -1.744 -22.739 80.538 1.00 0.00 C ATOM 373 CG LYS A 24 -3.066 -22.343 81.214 1.00 0.00 C ATOM 374 CD LYS A 24 -4.223 -23.164 80.622 1.00 0.00 C ATOM 375 CE LYS A 24 -5.380 -23.224 81.621 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.906 -21.849 81.850 1.00 0.00 N ATOM 0 H LYS A 24 -0.793 -22.590 82.832 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.889 -24.722 81.394 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.047 -21.902 80.571 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.920 -22.966 79.487 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.000 -22.513 82.289 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.253 -21.279 81.071 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.560 -22.714 79.688 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.882 -24.172 80.385 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.171 -23.869 81.240 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.041 -23.657 82.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.810 -21.904 82.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.222 -21.305 82.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.054 -21.377 80.935 1.00 0.00 H new ATOM 390 N GLY A 25 0.721 -23.621 79.723 1.00 0.00 N ATOM 391 CA GLY A 25 1.845 -24.067 78.855 1.00 0.00 C ATOM 392 C GLY A 25 2.775 -22.895 78.515 1.00 0.00 C ATOM 393 O GLY A 25 2.578 -22.200 77.541 1.00 0.00 O ATOM 0 H GLY A 25 0.576 -22.612 79.760 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.411 -24.850 79.360 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.450 -24.501 77.936 1.00 0.00 H new ATOM 397 N GLU A 26 3.796 -22.705 79.313 1.00 0.00 N ATOM 398 CA GLU A 26 4.802 -21.608 79.082 1.00 0.00 C ATOM 399 C GLU A 26 4.166 -20.357 78.459 1.00 0.00 C ATOM 400 O GLU A 26 3.885 -20.303 77.278 1.00 0.00 O ATOM 401 CB GLU A 26 5.950 -22.117 78.191 1.00 0.00 C ATOM 402 CG GLU A 26 5.404 -23.041 77.099 1.00 0.00 C ATOM 403 CD GLU A 26 6.548 -23.478 76.181 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.626 -22.920 76.304 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.327 -24.363 75.372 1.00 0.00 O ATOM 0 H GLU A 26 3.983 -23.276 80.137 1.00 0.00 H new ATOM 0 HA GLU A 26 5.197 -21.322 80.057 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.469 -21.273 77.737 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.681 -22.652 78.798 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.931 -23.914 77.549 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.637 -22.525 76.521 1.00 0.00 H new ATOM 412 N ASP A 27 3.980 -19.340 79.251 1.00 0.00 N ATOM 413 CA ASP A 27 3.403 -18.063 78.742 1.00 0.00 C ATOM 414 C ASP A 27 4.016 -16.917 79.546 1.00 0.00 C ATOM 415 O ASP A 27 3.339 -15.985 79.932 1.00 0.00 O ATOM 416 CB ASP A 27 1.885 -18.066 78.942 1.00 0.00 C ATOM 417 CG ASP A 27 1.225 -18.940 77.874 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.242 -18.545 76.720 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.712 -19.988 78.228 1.00 0.00 O ATOM 0 H ASP A 27 4.207 -19.338 80.246 1.00 0.00 H new ATOM 0 HA ASP A 27 3.619 -17.947 77.680 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.640 -18.442 79.935 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.499 -17.048 78.882 1.00 0.00 H new ATOM 424 N VAL A 28 5.292 -17.000 79.832 1.00 0.00 N ATOM 425 CA VAL A 28 5.959 -15.940 80.651 1.00 0.00 C ATOM 426 C VAL A 28 6.704 -14.941 79.769 1.00 0.00 C ATOM 427 O VAL A 28 7.916 -14.854 79.765 1.00 0.00 O ATOM 428 CB VAL A 28 6.904 -16.619 81.633 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.051 -17.468 82.567 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.903 -17.533 80.892 1.00 0.00 C ATOM 0 H VAL A 28 5.903 -17.760 79.532 1.00 0.00 H new ATOM 0 HA VAL A 28 5.206 -15.372 81.197 1.00 0.00 H new ATOM 0 HB VAL A 28 7.474 -15.868 82.180 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.694 -17.973 83.288 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.344 -16.829 83.096 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.504 -18.211 81.986 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.567 -18.007 81.614 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.356 -18.300 80.344 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.492 -16.938 80.194 1.00 0.00 H new ATOM 440 N ASN A 29 5.963 -14.172 79.034 1.00 0.00 N ATOM 441 CA ASN A 29 6.562 -13.153 78.146 1.00 0.00 C ATOM 442 C ASN A 29 5.424 -12.405 77.453 1.00 0.00 C ATOM 443 O ASN A 29 5.467 -12.147 76.266 1.00 0.00 O ATOM 444 CB ASN A 29 7.430 -13.849 77.103 1.00 0.00 C ATOM 445 CG ASN A 29 6.701 -15.085 76.579 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.684 -16.172 77.299 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 6.141 -15.063 75.501 1.00 0.00 N flip ATOM 0 H ASN A 29 4.944 -14.209 79.012 1.00 0.00 H new ATOM 0 HA ASN A 29 7.178 -12.457 78.715 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.648 -13.167 76.282 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.386 -14.136 77.542 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.154 -14.213 74.937 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.658 -15.894 75.160 1.00 0.00 H new ATOM 454 N ARG A 30 4.394 -12.071 78.192 1.00 0.00 N ATOM 455 CA ARG A 30 3.222 -11.355 77.601 1.00 0.00 C ATOM 456 C ARG A 30 3.196 -9.914 78.094 1.00 0.00 C ATOM 457 O ARG A 30 3.345 -9.650 79.271 1.00 0.00 O ATOM 458 CB ARG A 30 1.932 -12.056 78.036 1.00 0.00 C ATOM 459 CG ARG A 30 1.897 -13.477 77.458 1.00 0.00 C ATOM 460 CD ARG A 30 0.548 -14.144 77.773 1.00 0.00 C ATOM 461 NE ARG A 30 0.297 -15.273 76.813 1.00 0.00 N ATOM 462 CZ ARG A 30 0.221 -15.077 75.522 1.00 0.00 C ATOM 463 NH1 ARG A 30 0.216 -13.867 75.033 1.00 0.00 N ATOM 464 NH2 ARG A 30 0.103 -16.100 74.718 1.00 0.00 N ATOM 0 H ARG A 30 4.315 -12.266 79.190 1.00 0.00 H new ATOM 0 HA ARG A 30 3.304 -11.365 76.514 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.876 -12.094 79.124 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.066 -11.491 77.692 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.051 -13.443 76.380 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.711 -14.069 77.878 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.548 -14.519 78.796 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.255 -13.410 77.703 1.00 0.00 H new ATOM 0 HE ARG A 30 0.183 -16.218 77.178 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.272 -13.064 75.659 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.156 -13.725 74.025 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.071 -17.046 75.098 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.043 -15.953 73.710 1.00 0.00 H new ATOM 478 N THR A 31 2.994 -8.980 77.215 1.00 0.00 N ATOM 479 CA THR A 31 2.944 -7.565 77.662 1.00 0.00 C ATOM 480 C THR A 31 1.834 -7.428 78.706 1.00 0.00 C ATOM 481 O THR A 31 0.660 -7.483 78.397 1.00 0.00 O ATOM 482 CB THR A 31 2.667 -6.635 76.476 1.00 0.00 C ATOM 483 OG1 THR A 31 3.405 -7.080 75.346 1.00 0.00 O ATOM 484 CG2 THR A 31 3.094 -5.211 76.841 1.00 0.00 C ATOM 0 H THR A 31 2.862 -9.131 76.215 1.00 0.00 H new ATOM 0 HA THR A 31 3.904 -7.283 78.094 1.00 0.00 H new ATOM 0 HB THR A 31 1.603 -6.646 76.240 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.228 -6.488 74.586 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.899 -4.546 76.000 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.529 -4.873 77.710 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.159 -5.199 77.074 1.00 0.00 H new ATOM 492 N LEU A 32 2.211 -7.277 79.939 1.00 0.00 N ATOM 493 CA LEU A 32 1.227 -7.162 81.046 1.00 0.00 C ATOM 494 C LEU A 32 0.244 -5.991 80.795 1.00 0.00 C ATOM 495 O LEU A 32 -0.442 -5.954 79.794 1.00 0.00 O ATOM 496 CB LEU A 32 2.037 -6.973 82.351 1.00 0.00 C ATOM 497 CG LEU A 32 1.418 -7.782 83.503 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.287 -7.654 84.758 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.012 -7.272 83.820 1.00 0.00 C ATOM 0 H LEU A 32 3.186 -7.227 80.235 1.00 0.00 H new ATOM 0 HA LEU A 32 0.610 -8.058 81.117 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.068 -7.289 82.193 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.064 -5.916 82.617 1.00 0.00 H new ATOM 0 HG LEU A 32 1.362 -8.826 83.196 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.842 -8.230 85.569 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.287 -8.035 84.549 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.352 -6.606 85.050 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.411 -7.856 84.638 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.063 -6.223 84.111 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.619 -7.373 82.937 1.00 0.00 H new ATOM 511 N GLU A 33 0.152 -5.064 81.716 1.00 0.00 N ATOM 512 CA GLU A 33 -0.793 -3.916 81.584 1.00 0.00 C ATOM 513 C GLU A 33 -0.878 -3.426 80.128 1.00 0.00 C ATOM 514 O GLU A 33 -1.885 -3.611 79.474 1.00 0.00 O ATOM 515 CB GLU A 33 -0.294 -2.795 82.516 1.00 0.00 C ATOM 516 CG GLU A 33 -0.880 -1.432 82.115 1.00 0.00 C ATOM 517 CD GLU A 33 -2.389 -1.559 81.895 1.00 0.00 C ATOM 518 OE1 GLU A 33 -3.029 -2.227 82.689 1.00 0.00 O ATOM 519 OE2 GLU A 33 -2.878 -0.986 80.936 1.00 0.00 O ATOM 0 H GLU A 33 0.706 -5.056 82.573 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.799 -4.225 81.866 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.572 -3.024 83.545 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.795 -2.749 82.483 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.678 -0.696 82.893 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.400 -1.073 81.205 1.00 0.00 H new ATOM 526 N GLY A 34 0.142 -2.793 79.612 1.00 0.00 N ATOM 527 CA GLY A 34 0.059 -2.295 78.202 1.00 0.00 C ATOM 528 C GLY A 34 1.444 -2.258 77.564 1.00 0.00 C ATOM 529 O GLY A 34 1.588 -2.313 76.359 1.00 0.00 O ATOM 0 H GLY A 34 1.019 -2.600 80.096 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.598 -2.941 77.620 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.381 -1.298 78.188 1.00 0.00 H new ATOM 533 N GLY A 35 2.458 -2.165 78.362 1.00 0.00 N ATOM 534 CA GLY A 35 3.847 -2.121 77.820 1.00 0.00 C ATOM 535 C GLY A 35 4.791 -2.664 78.882 1.00 0.00 C ATOM 536 O GLY A 35 5.972 -2.381 78.885 1.00 0.00 O ATOM 0 H GLY A 35 2.391 -2.117 79.379 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.918 -2.715 76.909 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.120 -1.099 77.556 1.00 0.00 H new ATOM 540 N ARG A 36 4.262 -3.435 79.797 1.00 0.00 N ATOM 541 CA ARG A 36 5.087 -4.009 80.894 1.00 0.00 C ATOM 542 C ARG A 36 5.042 -5.535 80.801 1.00 0.00 C ATOM 543 O ARG A 36 4.255 -6.092 80.070 1.00 0.00 O ATOM 544 CB ARG A 36 4.506 -3.540 82.233 1.00 0.00 C ATOM 545 CG ARG A 36 4.157 -2.040 82.145 1.00 0.00 C ATOM 546 CD ARG A 36 5.428 -1.208 81.871 1.00 0.00 C ATOM 547 NE ARG A 36 5.392 0.041 82.697 1.00 0.00 N ATOM 548 CZ ARG A 36 4.324 0.794 82.737 1.00 0.00 C ATOM 549 NH1 ARG A 36 3.330 0.577 81.921 1.00 0.00 N ATOM 550 NH2 ARG A 36 4.273 1.799 83.566 1.00 0.00 N ATOM 0 H ARG A 36 3.276 -3.693 79.828 1.00 0.00 H new ATOM 0 HA ARG A 36 6.123 -3.680 80.813 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.615 -4.118 82.477 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.226 -3.710 83.034 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.429 -1.875 81.351 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.694 -1.713 83.076 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.317 -1.791 82.112 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.490 -0.956 80.812 1.00 0.00 H new ATOM 0 HE ARG A 36 6.215 0.309 83.237 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.382 -0.185 81.245 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.500 1.169 81.959 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.064 1.995 84.179 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.442 2.390 83.601 1.00 0.00 H new ATOM 564 N LYS A 37 5.895 -6.206 81.527 1.00 0.00 N ATOM 565 CA LYS A 37 5.944 -7.710 81.497 1.00 0.00 C ATOM 566 C LYS A 37 5.651 -8.245 82.923 1.00 0.00 C ATOM 567 O LYS A 37 5.478 -7.452 83.825 1.00 0.00 O ATOM 568 CB LYS A 37 7.341 -8.123 80.984 1.00 0.00 C ATOM 569 CG LYS A 37 8.371 -8.200 82.125 1.00 0.00 C ATOM 570 CD LYS A 37 8.470 -6.858 82.867 1.00 0.00 C ATOM 571 CE LYS A 37 8.962 -5.751 81.927 1.00 0.00 C ATOM 572 NZ LYS A 37 10.021 -6.281 81.022 1.00 0.00 N ATOM 0 H LYS A 37 6.575 -5.774 82.153 1.00 0.00 H new ATOM 0 HA LYS A 37 5.194 -8.135 80.830 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.274 -9.092 80.489 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.680 -7.406 80.236 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.087 -8.986 82.824 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.347 -8.470 81.721 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.495 -6.589 83.274 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.152 -6.954 83.712 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.129 -5.366 81.339 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.354 -4.917 82.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.753 -5.555 80.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.450 -7.127 81.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.600 -6.531 80.104 1.00 0.00 H new ATOM 586 N PRO A 38 5.584 -9.555 83.115 1.00 0.00 N ATOM 587 CA PRO A 38 5.283 -10.110 84.450 1.00 0.00 C ATOM 588 C PRO A 38 6.561 -10.281 85.305 1.00 0.00 C ATOM 589 O PRO A 38 6.624 -11.158 86.144 1.00 0.00 O ATOM 590 CB PRO A 38 4.668 -11.490 84.131 1.00 0.00 C ATOM 591 CG PRO A 38 5.085 -11.841 82.672 1.00 0.00 C ATOM 592 CD PRO A 38 5.753 -10.582 82.068 1.00 0.00 C ATOM 0 HA PRO A 38 4.628 -9.458 85.029 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.030 -12.245 84.829 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.583 -11.461 84.227 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.775 -12.684 82.662 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.215 -12.134 82.084 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.806 -10.756 81.845 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.275 -10.284 81.135 1.00 0.00 H new ATOM 600 N LEU A 39 7.564 -9.446 85.128 1.00 0.00 N ATOM 601 CA LEU A 39 8.806 -9.555 85.950 1.00 0.00 C ATOM 602 C LEU A 39 9.023 -8.230 86.669 1.00 0.00 C ATOM 603 O LEU A 39 9.681 -8.157 87.683 1.00 0.00 O ATOM 604 CB LEU A 39 9.993 -9.815 85.033 1.00 0.00 C ATOM 605 CG LEU A 39 11.300 -10.040 85.825 1.00 0.00 C ATOM 606 CD1 LEU A 39 11.096 -10.887 87.090 1.00 0.00 C ATOM 607 CD2 LEU A 39 12.284 -10.755 84.913 1.00 0.00 C ATOM 0 H LEU A 39 7.570 -8.690 84.443 1.00 0.00 H new ATOM 0 HA LEU A 39 8.711 -10.369 86.668 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.789 -10.690 84.415 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.120 -8.970 84.357 1.00 0.00 H new ATOM 0 HG LEU A 39 11.669 -9.066 86.146 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.050 -11.010 87.603 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.389 -10.387 87.752 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.704 -11.866 86.813 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.218 -10.927 85.449 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.863 -11.711 84.602 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.478 -10.141 84.034 1.00 0.00 H new ATOM 619 N HIS A 40 8.465 -7.179 86.144 1.00 0.00 N ATOM 620 CA HIS A 40 8.632 -5.853 86.784 1.00 0.00 C ATOM 621 C HIS A 40 7.812 -5.833 88.071 1.00 0.00 C ATOM 622 O HIS A 40 8.302 -5.469 89.116 1.00 0.00 O ATOM 623 CB HIS A 40 8.133 -4.766 85.829 1.00 0.00 C ATOM 624 CG HIS A 40 8.427 -3.413 86.413 1.00 0.00 C ATOM 625 ND1 HIS A 40 7.541 -2.767 87.260 1.00 0.00 N ATOM 626 CD2 HIS A 40 9.503 -2.571 86.281 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.094 -1.590 87.604 1.00 0.00 C ATOM 628 NE2 HIS A 40 9.292 -1.420 87.035 1.00 0.00 N ATOM 0 H HIS A 40 7.899 -7.183 85.296 1.00 0.00 H new ATOM 0 HA HIS A 40 9.682 -5.669 87.013 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.619 -4.868 84.859 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.062 -4.877 85.662 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.380 -2.771 85.683 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.627 -0.870 88.260 1.00 0.00 H new ATOM 0 HE2 HIS A 40 9.917 -0.620 87.132 1.00 0.00 H new ATOM 636 N TYR A 41 6.576 -6.246 88.007 1.00 0.00 N ATOM 637 CA TYR A 41 5.733 -6.271 89.234 1.00 0.00 C ATOM 638 C TYR A 41 6.279 -7.332 90.186 1.00 0.00 C ATOM 639 O TYR A 41 6.343 -7.132 91.382 1.00 0.00 O ATOM 640 CB TYR A 41 4.303 -6.613 88.845 1.00 0.00 C ATOM 641 CG TYR A 41 3.898 -5.726 87.707 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.333 -6.024 86.413 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.102 -4.602 87.942 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.970 -5.199 85.351 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.736 -3.775 86.879 1.00 0.00 C ATOM 646 CZ TYR A 41 3.170 -4.072 85.582 1.00 0.00 C ATOM 647 OH TYR A 41 2.805 -3.259 84.534 1.00 0.00 O ATOM 0 H TYR A 41 6.114 -6.567 87.157 1.00 0.00 H new ATOM 0 HA TYR A 41 5.751 -5.298 89.725 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.229 -7.661 88.554 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.634 -6.470 89.694 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.950 -6.893 86.237 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.771 -4.374 88.944 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.305 -5.428 84.350 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.119 -2.907 87.057 1.00 0.00 H new ATOM 0 HH TYR A 41 2.250 -2.524 84.868 1.00 0.00 H new ATOM 657 N ALA A 42 6.709 -8.450 89.662 1.00 0.00 N ATOM 658 CA ALA A 42 7.285 -9.495 90.541 1.00 0.00 C ATOM 659 C ALA A 42 8.549 -8.887 91.142 1.00 0.00 C ATOM 660 O ALA A 42 8.674 -8.701 92.327 1.00 0.00 O ATOM 661 CB ALA A 42 7.623 -10.737 89.697 1.00 0.00 C ATOM 0 H ALA A 42 6.684 -8.679 88.668 1.00 0.00 H new ATOM 0 HA ALA A 42 6.594 -9.806 91.325 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.047 -11.509 90.339 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.715 -11.115 89.226 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.346 -10.468 88.927 1.00 0.00 H new ATOM 667 N ALA A 43 9.476 -8.551 90.312 1.00 0.00 N ATOM 668 CA ALA A 43 10.729 -7.917 90.785 1.00 0.00 C ATOM 669 C ALA A 43 10.411 -6.757 91.752 1.00 0.00 C ATOM 670 O ALA A 43 10.826 -6.757 92.895 1.00 0.00 O ATOM 671 CB ALA A 43 11.456 -7.365 89.561 1.00 0.00 C ATOM 0 H ALA A 43 9.422 -8.690 89.303 1.00 0.00 H new ATOM 0 HA ALA A 43 11.343 -8.648 91.312 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.386 -6.890 89.874 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.679 -8.180 88.872 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.823 -6.631 89.062 1.00 0.00 H new ATOM 677 N ASP A 44 9.698 -5.763 91.290 1.00 0.00 N ATOM 678 CA ASP A 44 9.370 -4.579 92.141 1.00 0.00 C ATOM 679 C ASP A 44 8.614 -4.964 93.420 1.00 0.00 C ATOM 680 O ASP A 44 8.785 -4.340 94.446 1.00 0.00 O ATOM 681 CB ASP A 44 8.504 -3.614 91.334 1.00 0.00 C ATOM 682 CG ASP A 44 9.341 -2.965 90.229 1.00 0.00 C ATOM 683 OD1 ASP A 44 9.832 -3.689 89.380 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.474 -1.752 90.252 1.00 0.00 O ATOM 0 H ASP A 44 9.323 -5.721 90.343 1.00 0.00 H new ATOM 0 HA ASP A 44 10.312 -4.118 92.438 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.660 -4.147 90.897 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.092 -2.846 91.989 1.00 0.00 H new ATOM 689 N CYS A 45 7.769 -5.956 93.375 1.00 0.00 N ATOM 690 CA CYS A 45 6.995 -6.327 94.601 1.00 0.00 C ATOM 691 C CYS A 45 6.508 -7.762 94.474 1.00 0.00 C ATOM 692 O CYS A 45 5.323 -8.030 94.521 1.00 0.00 O ATOM 693 CB CYS A 45 5.763 -5.427 94.726 1.00 0.00 C ATOM 694 SG CYS A 45 6.259 -3.703 94.965 1.00 0.00 S ATOM 0 H CYS A 45 7.579 -6.525 92.550 1.00 0.00 H new ATOM 0 HA CYS A 45 7.640 -6.213 95.472 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.149 -5.514 93.829 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.150 -5.755 95.565 1.00 0.00 H new ATOM 0 HG CYS A 45 7.553 -3.609 94.888 1.00 0.00 H new ATOM 700 N GLY A 46 7.411 -8.684 94.306 1.00 0.00 N ATOM 701 CA GLY A 46 7.013 -10.122 94.161 1.00 0.00 C ATOM 702 C GLY A 46 7.459 -10.897 95.387 1.00 0.00 C ATOM 703 O GLY A 46 7.601 -12.103 95.350 1.00 0.00 O ATOM 0 H GLY A 46 8.415 -8.509 94.262 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.933 -10.201 94.041 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.465 -10.547 93.265 1.00 0.00 H new ATOM 707 N GLN A 47 7.699 -10.221 96.471 1.00 0.00 N ATOM 708 CA GLN A 47 8.153 -10.935 97.687 1.00 0.00 C ATOM 709 C GLN A 47 9.376 -11.771 97.314 1.00 0.00 C ATOM 710 O GLN A 47 9.764 -12.696 98.000 1.00 0.00 O ATOM 711 CB GLN A 47 7.007 -11.788 98.220 1.00 0.00 C ATOM 712 CG GLN A 47 5.845 -10.849 98.530 1.00 0.00 C ATOM 713 CD GLN A 47 4.757 -11.580 99.302 1.00 0.00 C ATOM 714 OE1 GLN A 47 3.531 -11.177 99.160 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.021 -12.512 100.033 1.00 0.00 N flip ATOM 0 H GLN A 47 7.601 -9.210 96.566 1.00 0.00 H new ATOM 0 HA GLN A 47 8.438 -10.243 98.479 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.711 -12.536 97.484 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.314 -12.327 99.116 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.202 -9.999 99.111 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.435 -10.451 97.602 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.988 -12.820 100.137 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.276 -12.987 100.543 1.00 0.00 H new ATOM 724 N LEU A 48 9.993 -11.383 96.228 1.00 0.00 N ATOM 725 CA LEU A 48 11.237 -12.031 95.730 1.00 0.00 C ATOM 726 C LEU A 48 11.055 -13.521 95.417 1.00 0.00 C ATOM 727 O LEU A 48 11.997 -14.207 95.070 1.00 0.00 O ATOM 728 CB LEU A 48 12.342 -11.825 96.761 1.00 0.00 C ATOM 729 CG LEU A 48 12.916 -10.357 96.751 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.216 -9.384 95.762 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.811 -9.762 98.160 1.00 0.00 C ATOM 0 H LEU A 48 9.669 -10.611 95.645 1.00 0.00 H new ATOM 0 HA LEU A 48 11.507 -11.560 94.784 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.954 -12.052 97.754 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.151 -12.529 96.566 1.00 0.00 H new ATOM 0 HG LEU A 48 13.948 -10.454 96.413 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.681 -8.401 95.829 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.316 -9.764 94.745 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.159 -9.304 96.017 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.207 -8.747 98.157 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.766 -9.743 98.470 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.385 -10.373 98.857 1.00 0.00 H new ATOM 743 N GLU A 49 9.862 -14.016 95.486 1.00 0.00 N ATOM 744 CA GLU A 49 9.606 -15.445 95.143 1.00 0.00 C ATOM 745 C GLU A 49 8.995 -15.492 93.751 1.00 0.00 C ATOM 746 O GLU A 49 9.288 -16.359 92.951 1.00 0.00 O ATOM 747 CB GLU A 49 8.635 -16.053 96.154 1.00 0.00 C ATOM 748 CG GLU A 49 7.647 -14.984 96.601 1.00 0.00 C ATOM 749 CD GLU A 49 6.552 -15.625 97.456 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.464 -16.842 97.456 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.819 -14.888 98.096 1.00 0.00 O ATOM 0 H GLU A 49 9.036 -13.489 95.769 1.00 0.00 H new ATOM 0 HA GLU A 49 10.536 -16.013 95.168 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.103 -16.893 95.707 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.181 -16.443 97.013 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.164 -14.212 97.172 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.205 -14.496 95.732 1.00 0.00 H new ATOM 758 N ILE A 50 8.128 -14.567 93.469 1.00 0.00 N ATOM 759 CA ILE A 50 7.469 -14.546 92.151 1.00 0.00 C ATOM 760 C ILE A 50 8.483 -14.302 91.036 1.00 0.00 C ATOM 761 O ILE A 50 8.435 -14.944 90.022 1.00 0.00 O ATOM 762 CB ILE A 50 6.385 -13.464 92.143 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.446 -13.657 93.401 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.649 -13.567 90.808 1.00 0.00 C ATOM 765 CD1 ILE A 50 3.922 -13.547 93.110 1.00 0.00 C ATOM 0 H ILE A 50 7.849 -13.820 94.105 1.00 0.00 H new ATOM 0 HA ILE A 50 7.009 -15.517 91.970 1.00 0.00 H new ATOM 0 HB ILE A 50 6.798 -12.458 92.225 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.647 -14.635 93.838 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.712 -12.912 94.151 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.866 -12.810 90.765 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.353 -13.408 89.991 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.202 -14.557 90.715 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.364 -13.694 94.034 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.699 -12.560 92.704 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.634 -14.310 92.387 1.00 0.00 H new ATOM 777 N LEU A 51 9.394 -13.392 91.183 1.00 0.00 N ATOM 778 CA LEU A 51 10.349 -13.173 90.060 1.00 0.00 C ATOM 779 C LEU A 51 10.997 -14.514 89.682 1.00 0.00 C ATOM 780 O LEU A 51 10.952 -14.934 88.550 1.00 0.00 O ATOM 781 CB LEU A 51 11.443 -12.104 90.357 1.00 0.00 C ATOM 782 CG LEU A 51 11.665 -11.818 91.844 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.384 -11.279 92.518 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.193 -13.074 92.549 1.00 0.00 C ATOM 0 H LEU A 51 9.523 -12.802 92.005 1.00 0.00 H new ATOM 0 HA LEU A 51 9.772 -12.774 89.226 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.385 -12.435 89.919 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.169 -11.174 89.858 1.00 0.00 H new ATOM 0 HG LEU A 51 12.417 -11.034 91.934 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.581 -11.088 93.573 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.079 -10.352 92.032 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.586 -12.016 92.426 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.348 -12.860 93.607 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.468 -13.882 92.444 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.139 -13.374 92.098 1.00 0.00 H new ATOM 796 N GLU A 52 11.597 -15.184 90.614 1.00 0.00 N ATOM 797 CA GLU A 52 12.244 -16.488 90.298 1.00 0.00 C ATOM 798 C GLU A 52 11.232 -17.418 89.613 1.00 0.00 C ATOM 799 O GLU A 52 11.601 -18.311 88.879 1.00 0.00 O ATOM 800 CB GLU A 52 12.742 -17.134 91.619 1.00 0.00 C ATOM 801 CG GLU A 52 14.261 -16.944 91.784 1.00 0.00 C ATOM 802 CD GLU A 52 15.011 -18.061 91.051 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.500 -18.532 90.049 1.00 0.00 O ATOM 804 OE2 GLU A 52 16.083 -18.426 91.507 1.00 0.00 O ATOM 0 H GLU A 52 11.671 -14.888 91.587 1.00 0.00 H new ATOM 0 HA GLU A 52 13.087 -16.328 89.625 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.221 -16.687 92.466 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.502 -18.197 91.622 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.560 -15.973 91.388 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.524 -16.951 92.842 1.00 0.00 H new ATOM 811 N PHE A 53 9.970 -17.245 89.877 1.00 0.00 N ATOM 812 CA PHE A 53 8.962 -18.152 89.275 1.00 0.00 C ATOM 813 C PHE A 53 8.848 -17.981 87.755 1.00 0.00 C ATOM 814 O PHE A 53 9.429 -18.721 86.995 1.00 0.00 O ATOM 815 CB PHE A 53 7.600 -17.921 89.924 1.00 0.00 C ATOM 816 CG PHE A 53 6.582 -18.784 89.226 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.723 -20.175 89.246 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.522 -18.194 88.528 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.809 -20.975 88.575 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.600 -18.996 87.861 1.00 0.00 C ATOM 821 CZ PHE A 53 4.748 -20.392 87.883 1.00 0.00 C ATOM 0 H PHE A 53 9.594 -16.516 90.483 1.00 0.00 H new ATOM 0 HA PHE A 53 9.297 -19.172 89.462 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.640 -18.167 90.985 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.319 -16.870 89.850 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.543 -20.627 89.784 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.420 -17.119 88.507 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.919 -22.049 88.589 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.775 -18.546 87.329 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.037 -21.017 87.362 1.00 0.00 H new ATOM 831 N LEU A 54 8.048 -17.058 87.307 1.00 0.00 N ATOM 832 CA LEU A 54 7.845 -16.895 85.840 1.00 0.00 C ATOM 833 C LEU A 54 9.174 -16.759 85.088 1.00 0.00 C ATOM 834 O LEU A 54 9.215 -16.783 83.874 1.00 0.00 O ATOM 835 CB LEU A 54 6.918 -15.695 85.575 1.00 0.00 C ATOM 836 CG LEU A 54 7.584 -14.330 85.864 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.374 -14.390 87.152 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.505 -13.877 84.716 1.00 0.00 C ATOM 0 H LEU A 54 7.524 -16.407 87.893 1.00 0.00 H new ATOM 0 HA LEU A 54 7.368 -17.797 85.457 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.593 -15.719 84.535 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.024 -15.793 86.191 1.00 0.00 H new ATOM 0 HG LEU A 54 6.781 -13.599 85.958 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.836 -13.421 87.341 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.707 -14.640 87.977 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.149 -15.152 87.068 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.950 -12.914 84.965 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.294 -14.614 84.570 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.924 -13.782 83.799 1.00 0.00 H new ATOM 850 N LEU A 55 10.257 -16.635 85.793 1.00 0.00 N ATOM 851 CA LEU A 55 11.590 -16.515 85.134 1.00 0.00 C ATOM 852 C LEU A 55 12.179 -17.916 84.972 1.00 0.00 C ATOM 853 O LEU A 55 12.744 -18.245 83.948 1.00 0.00 O ATOM 854 CB LEU A 55 12.481 -15.640 86.027 1.00 0.00 C ATOM 855 CG LEU A 55 13.632 -15.031 85.212 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.423 -14.054 86.098 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.561 -16.149 84.695 1.00 0.00 C ATOM 0 H LEU A 55 10.280 -16.611 86.812 1.00 0.00 H new ATOM 0 HA LEU A 55 11.512 -16.056 84.148 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.886 -14.845 86.476 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.884 -16.237 86.845 1.00 0.00 H new ATOM 0 HG LEU A 55 13.225 -14.492 84.356 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.240 -13.621 85.522 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.762 -13.260 86.444 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.828 -14.589 86.957 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.374 -15.709 84.118 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.973 -16.700 85.541 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.993 -16.829 84.060 1.00 0.00 H new ATOM 869 N LEU A 56 12.039 -18.755 85.957 1.00 0.00 N ATOM 870 CA LEU A 56 12.591 -20.129 85.810 1.00 0.00 C ATOM 871 C LEU A 56 11.863 -20.834 84.670 1.00 0.00 C ATOM 872 O LEU A 56 12.442 -21.624 83.951 1.00 0.00 O ATOM 873 CB LEU A 56 12.498 -20.921 87.127 1.00 0.00 C ATOM 874 CG LEU A 56 11.069 -21.476 87.366 1.00 0.00 C ATOM 875 CD1 LEU A 56 10.959 -22.923 86.841 1.00 0.00 C ATOM 876 CD2 LEU A 56 10.751 -21.482 88.874 1.00 0.00 C ATOM 0 H LEU A 56 11.575 -18.555 86.843 1.00 0.00 H new ATOM 0 HA LEU A 56 13.652 -20.067 85.568 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.210 -21.746 87.106 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.782 -20.277 87.959 1.00 0.00 H new ATOM 0 HG LEU A 56 10.364 -20.836 86.835 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.951 -23.298 87.016 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.172 -22.939 85.772 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.677 -23.555 87.363 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.746 -21.873 89.032 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.472 -22.112 89.395 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.810 -20.465 89.262 1.00 0.00 H new ATOM 888 N LYS A 57 10.613 -20.522 84.457 1.00 0.00 N ATOM 889 CA LYS A 57 9.895 -21.143 83.319 1.00 0.00 C ATOM 890 C LYS A 57 10.593 -20.624 82.071 1.00 0.00 C ATOM 891 O LYS A 57 11.688 -21.039 81.745 1.00 0.00 O ATOM 892 CB LYS A 57 8.420 -20.705 83.321 1.00 0.00 C ATOM 893 CG LYS A 57 7.664 -21.371 84.487 1.00 0.00 C ATOM 894 CD LYS A 57 7.142 -22.748 84.062 1.00 0.00 C ATOM 895 CE LYS A 57 6.479 -23.435 85.258 1.00 0.00 C ATOM 896 NZ LYS A 57 5.321 -22.619 85.724 1.00 0.00 N ATOM 0 H LYS A 57 10.066 -19.869 85.019 1.00 0.00 H new ATOM 0 HA LYS A 57 9.911 -22.232 83.372 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.356 -19.621 83.410 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.952 -20.975 82.374 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.326 -21.474 85.347 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.832 -20.739 84.799 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.426 -22.641 83.247 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.963 -23.360 83.687 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.144 -24.433 84.977 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.200 -23.557 86.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.511 -23.243 85.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.581 -22.112 86.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.062 -21.932 84.988 1.00 0.00 H new ATOM 910 N GLY A 58 10.014 -19.664 81.413 1.00 0.00 N ATOM 911 CA GLY A 58 10.700 -19.069 80.245 1.00 0.00 C ATOM 912 C GLY A 58 11.798 -18.180 80.811 1.00 0.00 C ATOM 913 O GLY A 58 12.620 -18.641 81.571 1.00 0.00 O ATOM 0 H GLY A 58 9.100 -19.269 81.634 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.118 -19.843 79.602 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.004 -18.491 79.637 1.00 0.00 H new ATOM 917 N ALA A 59 11.802 -16.913 80.499 1.00 0.00 N ATOM 918 CA ALA A 59 12.845 -16.024 81.084 1.00 0.00 C ATOM 919 C ALA A 59 12.759 -14.627 80.506 1.00 0.00 C ATOM 920 O ALA A 59 13.460 -14.264 79.582 1.00 0.00 O ATOM 921 CB ALA A 59 14.234 -16.599 80.854 1.00 0.00 C ATOM 0 H ALA A 59 11.137 -16.459 79.872 1.00 0.00 H new ATOM 0 HA ALA A 59 12.663 -15.964 82.157 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.980 -15.934 81.289 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.304 -17.580 81.324 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.415 -16.696 79.784 1.00 0.00 H new ATOM 927 N ASP A 60 11.936 -13.831 81.099 1.00 0.00 N ATOM 928 CA ASP A 60 11.817 -12.425 80.664 1.00 0.00 C ATOM 929 C ASP A 60 13.025 -11.686 81.231 1.00 0.00 C ATOM 930 O ASP A 60 13.179 -10.489 81.095 1.00 0.00 O ATOM 931 CB ASP A 60 10.523 -11.821 81.202 1.00 0.00 C ATOM 932 CG ASP A 60 10.273 -10.491 80.505 1.00 0.00 C ATOM 933 OD1 ASP A 60 11.054 -9.583 80.726 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.310 -10.402 79.762 1.00 0.00 O ATOM 0 H ASP A 60 11.332 -14.095 81.877 1.00 0.00 H new ATOM 0 HA ASP A 60 11.791 -12.348 79.577 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.689 -12.501 81.028 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.595 -11.674 82.280 1.00 0.00 H new ATOM 939 N ILE A 61 13.882 -12.427 81.872 1.00 0.00 N ATOM 940 CA ILE A 61 15.107 -11.847 82.481 1.00 0.00 C ATOM 941 C ILE A 61 15.799 -10.930 81.476 1.00 0.00 C ATOM 942 O ILE A 61 16.588 -10.075 81.827 1.00 0.00 O ATOM 943 CB ILE A 61 16.048 -13.012 82.821 1.00 0.00 C ATOM 944 CG1 ILE A 61 17.200 -12.510 83.702 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.605 -13.608 81.518 1.00 0.00 C ATOM 946 CD1 ILE A 61 18.323 -13.552 83.776 1.00 0.00 C ATOM 0 H ILE A 61 13.781 -13.434 82.002 1.00 0.00 H new ATOM 0 HA ILE A 61 14.853 -11.271 83.371 1.00 0.00 H new ATOM 0 HB ILE A 61 15.498 -13.780 83.365 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.591 -11.575 83.300 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.830 -12.295 84.705 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.274 -14.436 81.753 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.782 -13.971 80.903 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.155 -12.841 80.973 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.129 -13.175 84.406 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.934 -14.477 84.201 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.706 -13.746 82.774 1.00 0.00 H new ATOM 958 N ASN A 62 15.530 -11.135 80.222 1.00 0.00 N ATOM 959 CA ASN A 62 16.190 -10.321 79.163 1.00 0.00 C ATOM 960 C ASN A 62 15.222 -10.038 78.008 1.00 0.00 C ATOM 961 O ASN A 62 15.259 -8.980 77.412 1.00 0.00 O ATOM 962 CB ASN A 62 17.399 -11.101 78.654 1.00 0.00 C ATOM 963 CG ASN A 62 16.973 -12.508 78.203 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.777 -12.952 78.491 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.742 -13.212 77.579 1.00 0.00 N flip ATOM 0 H ASN A 62 14.875 -11.838 79.879 1.00 0.00 H new ATOM 0 HA ASN A 62 16.500 -9.361 79.576 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.860 -10.569 77.822 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.150 -11.175 79.440 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.676 -12.871 77.352 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.454 -14.144 77.282 1.00 0.00 H new ATOM 972 N ALA A 63 14.353 -10.977 77.713 1.00 0.00 N ATOM 973 CA ALA A 63 13.323 -10.818 76.611 1.00 0.00 C ATOM 974 C ALA A 63 13.130 -9.358 76.117 1.00 0.00 C ATOM 975 O ALA A 63 13.341 -9.107 74.948 1.00 0.00 O ATOM 976 CB ALA A 63 11.973 -11.425 77.028 1.00 0.00 C ATOM 0 H ALA A 63 14.307 -11.873 78.198 1.00 0.00 H new ATOM 0 HA ALA A 63 13.727 -11.368 75.761 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.252 -11.298 76.221 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.101 -12.487 77.237 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.608 -10.921 77.923 1.00 0.00 H new ATOM 982 N PRO A 64 12.718 -8.436 76.991 1.00 0.00 N ATOM 983 CA PRO A 64 12.472 -7.027 76.658 1.00 0.00 C ATOM 984 C PRO A 64 12.852 -6.598 75.239 1.00 0.00 C ATOM 985 O PRO A 64 13.945 -6.826 74.761 1.00 0.00 O ATOM 986 CB PRO A 64 13.206 -6.310 77.780 1.00 0.00 C ATOM 987 CG PRO A 64 13.102 -7.289 79.000 1.00 0.00 C ATOM 988 CD PRO A 64 12.530 -8.624 78.438 1.00 0.00 C ATOM 0 HA PRO A 64 11.411 -6.782 76.614 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.245 -6.115 77.514 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.748 -5.347 78.003 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.079 -7.446 79.458 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.450 -6.881 79.772 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.072 -9.493 78.813 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.482 -8.764 78.701 1.00 0.00 H new ATOM 996 N ASP A 65 11.925 -5.939 74.592 1.00 0.00 N ATOM 997 CA ASP A 65 12.138 -5.417 73.212 1.00 0.00 C ATOM 998 C ASP A 65 11.484 -4.036 73.150 1.00 0.00 C ATOM 999 O ASP A 65 12.063 -3.076 72.681 1.00 0.00 O ATOM 1000 CB ASP A 65 11.476 -6.352 72.192 1.00 0.00 C ATOM 1001 CG ASP A 65 12.384 -7.556 71.929 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.331 -7.735 72.675 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.116 -8.278 70.983 1.00 0.00 O ATOM 0 H ASP A 65 11.002 -5.736 74.977 1.00 0.00 H new ATOM 0 HA ASP A 65 13.201 -5.357 72.978 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.509 -6.689 72.567 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.288 -5.816 71.262 1.00 0.00 H new ATOM 1008 N LYS A 66 10.281 -3.935 73.651 1.00 0.00 N ATOM 1009 CA LYS A 66 9.565 -2.645 73.670 1.00 0.00 C ATOM 1010 C LYS A 66 9.957 -1.919 74.960 1.00 0.00 C ATOM 1011 O LYS A 66 10.133 -0.719 75.000 1.00 0.00 O ATOM 1012 CB LYS A 66 8.068 -2.949 73.657 1.00 0.00 C ATOM 1013 CG LYS A 66 7.291 -1.748 73.137 1.00 0.00 C ATOM 1014 CD LYS A 66 7.462 -0.545 74.081 1.00 0.00 C ATOM 1015 CE LYS A 66 6.240 0.374 73.985 1.00 0.00 C ATOM 1016 NZ LYS A 66 5.910 0.612 72.551 1.00 0.00 N ATOM 0 H LYS A 66 9.762 -4.715 74.054 1.00 0.00 H new ATOM 0 HA LYS A 66 9.814 -2.019 72.813 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.872 -3.818 73.029 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.732 -3.201 74.663 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.640 -1.486 72.138 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.235 -2.001 73.049 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.587 -0.892 75.107 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.364 0.008 73.819 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.390 -0.079 74.495 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.443 1.321 74.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.314 1.460 72.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.788 0.752 72.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.398 -0.210 72.172 1.00 0.00 H new ATOM 1030 N HIS A 67 10.120 -2.665 76.013 1.00 0.00 N ATOM 1031 CA HIS A 67 10.517 -2.069 77.313 1.00 0.00 C ATOM 1032 C HIS A 67 11.996 -1.709 77.235 1.00 0.00 C ATOM 1033 O HIS A 67 12.533 -1.028 78.087 1.00 0.00 O ATOM 1034 CB HIS A 67 10.291 -3.109 78.424 1.00 0.00 C ATOM 1035 CG HIS A 67 9.123 -3.987 78.059 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.124 -5.353 78.290 1.00 0.00 N ATOM 1037 CD2 HIS A 67 7.916 -3.707 77.467 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.952 -5.840 77.841 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.179 -4.879 77.329 1.00 0.00 N ATOM 0 H HIS A 67 9.993 -3.677 76.027 1.00 0.00 H new ATOM 0 HA HIS A 67 9.928 -1.178 77.530 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.187 -3.715 78.558 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.100 -2.608 79.373 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.589 -2.726 77.156 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.671 -6.882 77.889 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.249 -4.982 76.924 1.00 0.00 H new ATOM 1047 N HIS A 68 12.644 -2.172 76.202 1.00 0.00 N ATOM 1048 CA HIS A 68 14.092 -1.892 76.008 1.00 0.00 C ATOM 1049 C HIS A 68 14.839 -1.922 77.344 1.00 0.00 C ATOM 1050 O HIS A 68 15.759 -1.159 77.561 1.00 0.00 O ATOM 1051 CB HIS A 68 14.262 -0.519 75.354 1.00 0.00 C ATOM 1052 CG HIS A 68 13.466 0.508 76.112 1.00 0.00 C ATOM 1053 ND1 HIS A 68 12.095 0.645 75.955 1.00 0.00 N ATOM 1054 CD2 HIS A 68 13.836 1.462 77.028 1.00 0.00 C ATOM 1055 CE1 HIS A 68 11.694 1.649 76.756 1.00 0.00 C ATOM 1056 NE2 HIS A 68 12.716 2.181 77.433 1.00 0.00 N ATOM 0 H HIS A 68 12.221 -2.744 75.471 1.00 0.00 H new ATOM 0 HA HIS A 68 14.511 -2.664 75.363 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.316 -0.240 75.342 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.930 -0.557 74.316 1.00 0.00 H new ATOM 0 HD1 HIS A 68 11.499 0.087 75.344 1.00 0.00 H new ATOM 0 HD2 HIS A 68 14.843 1.629 77.380 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.671 1.984 76.841 1.00 0.00 H new ATOM 1064 N ILE A 69 14.476 -2.811 78.241 1.00 0.00 N ATOM 1065 CA ILE A 69 15.207 -2.879 79.538 1.00 0.00 C ATOM 1066 C ILE A 69 15.217 -4.275 80.082 1.00 0.00 C ATOM 1067 O ILE A 69 14.514 -5.169 79.676 1.00 0.00 O ATOM 1068 CB ILE A 69 14.641 -1.855 80.583 1.00 0.00 C ATOM 1069 CG1 ILE A 69 15.756 -0.866 80.973 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.084 -2.520 81.885 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.935 -1.582 81.625 1.00 0.00 C ATOM 0 H ILE A 69 13.715 -3.481 78.129 1.00 0.00 H new ATOM 0 HA ILE A 69 16.241 -2.593 79.343 1.00 0.00 H new ATOM 0 HB ILE A 69 13.802 -1.353 80.100 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.098 -0.333 80.086 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.358 -0.119 81.660 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.711 -1.747 82.557 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.272 -3.200 81.628 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.881 -3.077 82.379 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.703 -0.854 81.887 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.597 -2.093 82.526 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.349 -2.311 80.928 1.00 0.00 H new ATOM 1083 N THR A 70 16.085 -4.410 80.992 1.00 0.00 N ATOM 1084 CA THR A 70 16.364 -5.658 81.679 1.00 0.00 C ATOM 1085 C THR A 70 15.847 -5.377 83.092 1.00 0.00 C ATOM 1086 O THR A 70 16.400 -4.551 83.776 1.00 0.00 O ATOM 1087 CB THR A 70 17.888 -5.834 81.617 1.00 0.00 C ATOM 1088 OG1 THR A 70 18.498 -5.330 82.768 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.421 -4.997 80.497 1.00 0.00 C ATOM 0 H THR A 70 16.665 -3.636 81.317 1.00 0.00 H new ATOM 0 HA THR A 70 15.912 -6.566 81.279 1.00 0.00 H new ATOM 0 HB THR A 70 18.093 -6.898 81.498 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.470 -5.322 82.646 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.503 -5.112 80.440 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.972 -5.319 79.557 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.176 -3.950 80.677 1.00 0.00 H new ATOM 1097 N PRO A 71 14.730 -5.964 83.444 1.00 0.00 N ATOM 1098 CA PRO A 71 14.065 -5.669 84.725 1.00 0.00 C ATOM 1099 C PRO A 71 14.949 -5.936 85.938 1.00 0.00 C ATOM 1100 O PRO A 71 14.607 -5.581 87.048 1.00 0.00 O ATOM 1101 CB PRO A 71 12.821 -6.584 84.723 1.00 0.00 C ATOM 1102 CG PRO A 71 12.650 -7.061 83.271 1.00 0.00 C ATOM 1103 CD PRO A 71 14.017 -6.938 82.607 1.00 0.00 C ATOM 0 HA PRO A 71 13.818 -4.611 84.807 1.00 0.00 H new ATOM 0 HB2 PRO A 71 12.957 -7.429 85.398 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.938 -6.043 85.063 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.296 -8.092 83.241 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.910 -6.455 82.749 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.535 -7.896 82.580 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.931 -6.592 81.577 1.00 0.00 H new ATOM 1111 N LEU A 72 16.089 -6.504 85.761 1.00 0.00 N ATOM 1112 CA LEU A 72 16.960 -6.705 86.940 1.00 0.00 C ATOM 1113 C LEU A 72 17.203 -5.314 87.527 1.00 0.00 C ATOM 1114 O LEU A 72 17.300 -5.127 88.722 1.00 0.00 O ATOM 1115 CB LEU A 72 18.280 -7.373 86.520 1.00 0.00 C ATOM 1116 CG LEU A 72 18.067 -8.263 85.275 1.00 0.00 C ATOM 1117 CD1 LEU A 72 16.771 -9.102 85.373 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.042 -7.383 84.018 1.00 0.00 C ATOM 0 H LEU A 72 16.458 -6.836 84.870 1.00 0.00 H new ATOM 0 HA LEU A 72 16.499 -7.362 87.678 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.028 -6.610 86.304 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.667 -7.975 87.342 1.00 0.00 H new ATOM 0 HG LEU A 72 18.897 -8.967 85.217 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.663 -9.712 84.476 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.822 -9.750 86.248 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.913 -8.436 85.464 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.892 -8.009 83.138 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.227 -6.663 84.094 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.989 -6.851 83.927 1.00 0.00 H new ATOM 1130 N LEU A 73 17.235 -4.334 86.665 1.00 0.00 N ATOM 1131 CA LEU A 73 17.399 -2.932 87.109 1.00 0.00 C ATOM 1132 C LEU A 73 16.106 -2.535 87.801 1.00 0.00 C ATOM 1133 O LEU A 73 16.044 -1.605 88.572 1.00 0.00 O ATOM 1134 CB LEU A 73 17.633 -2.022 85.905 1.00 0.00 C ATOM 1135 CG LEU A 73 19.032 -2.266 85.313 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.949 -3.389 84.297 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.532 -0.995 84.631 1.00 0.00 C ATOM 0 H LEU A 73 17.152 -4.454 85.655 1.00 0.00 H new ATOM 0 HA LEU A 73 18.254 -2.837 87.778 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.873 -2.209 85.147 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.535 -0.979 86.205 1.00 0.00 H new ATOM 0 HG LEU A 73 19.725 -2.539 86.109 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.936 -3.569 83.872 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.593 -4.296 84.786 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.257 -3.110 83.502 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.523 -1.172 84.213 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.845 -0.717 83.831 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.585 -0.187 85.361 1.00 0.00 H new ATOM 1149 N SER A 74 15.058 -3.248 87.524 1.00 0.00 N ATOM 1150 CA SER A 74 13.768 -2.924 88.167 1.00 0.00 C ATOM 1151 C SER A 74 13.923 -3.016 89.698 1.00 0.00 C ATOM 1152 O SER A 74 13.544 -2.122 90.437 1.00 0.00 O ATOM 1153 CB SER A 74 12.694 -3.908 87.705 1.00 0.00 C ATOM 1154 OG SER A 74 12.761 -5.077 88.500 1.00 0.00 O ATOM 0 H SER A 74 15.041 -4.040 86.881 1.00 0.00 H new ATOM 0 HA SER A 74 13.471 -1.913 87.887 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.707 -3.453 87.788 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.841 -4.159 86.655 1.00 0.00 H new ATOM 0 HG SER A 74 13.324 -5.744 88.054 1.00 0.00 H new ATOM 1160 N ALA A 75 14.480 -4.103 90.177 1.00 0.00 N ATOM 1161 CA ALA A 75 14.657 -4.274 91.658 1.00 0.00 C ATOM 1162 C ALA A 75 15.729 -3.315 92.181 1.00 0.00 C ATOM 1163 O ALA A 75 15.666 -2.855 93.303 1.00 0.00 O ATOM 1164 CB ALA A 75 15.058 -5.713 91.977 1.00 0.00 C ATOM 0 H ALA A 75 14.820 -4.879 89.609 1.00 0.00 H new ATOM 0 HA ALA A 75 13.709 -4.048 92.147 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.184 -5.825 93.054 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.280 -6.393 91.629 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.997 -5.949 91.476 1.00 0.00 H new ATOM 1170 N VAL A 76 16.714 -3.010 91.379 1.00 0.00 N ATOM 1171 CA VAL A 76 17.793 -2.081 91.818 1.00 0.00 C ATOM 1172 C VAL A 76 17.169 -0.880 92.519 1.00 0.00 C ATOM 1173 O VAL A 76 17.356 -0.672 93.701 1.00 0.00 O ATOM 1174 CB VAL A 76 18.577 -1.655 90.564 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.547 -0.489 90.805 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.375 -2.848 90.094 1.00 0.00 C ATOM 0 H VAL A 76 16.817 -3.369 90.430 1.00 0.00 H new ATOM 0 HA VAL A 76 18.471 -2.560 92.524 1.00 0.00 H new ATOM 0 HB VAL A 76 17.851 -1.312 89.827 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.062 -0.246 89.876 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.990 0.382 91.149 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.278 -0.774 91.561 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.943 -2.578 89.204 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.061 -3.160 90.882 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.698 -3.668 89.857 1.00 0.00 H new ATOM 1186 N TYR A 77 16.430 -0.085 91.804 1.00 0.00 N ATOM 1187 CA TYR A 77 15.804 1.098 92.449 1.00 0.00 C ATOM 1188 C TYR A 77 14.624 0.639 93.318 1.00 0.00 C ATOM 1189 O TYR A 77 13.556 1.218 93.271 1.00 0.00 O ATOM 1190 CB TYR A 77 15.303 2.094 91.377 1.00 0.00 C ATOM 1191 CG TYR A 77 16.085 1.915 90.105 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.292 2.591 89.926 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.597 1.073 89.103 1.00 0.00 C ATOM 1194 CE1 TYR A 77 18.013 2.425 88.747 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.318 0.907 87.921 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.529 1.583 87.740 1.00 0.00 C ATOM 1197 OH TYR A 77 18.244 1.420 86.571 1.00 0.00 O ATOM 0 H TYR A 77 16.233 -0.200 90.810 1.00 0.00 H new ATOM 0 HA TYR A 77 16.547 1.598 93.071 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.242 1.934 91.187 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.411 3.116 91.739 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.667 3.243 90.702 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.662 0.551 89.244 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.948 2.947 88.609 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.941 0.257 87.145 1.00 0.00 H new ATOM 0 HH TYR A 77 17.650 1.553 85.803 1.00 0.00 H new ATOM 1207 N GLU A 78 14.794 -0.405 94.097 1.00 0.00 N ATOM 1208 CA GLU A 78 13.660 -0.901 94.948 1.00 0.00 C ATOM 1209 C GLU A 78 14.127 -1.088 96.386 1.00 0.00 C ATOM 1210 O GLU A 78 13.334 -1.140 97.306 1.00 0.00 O ATOM 1211 CB GLU A 78 13.210 -2.259 94.403 1.00 0.00 C ATOM 1212 CG GLU A 78 11.760 -2.554 94.823 1.00 0.00 C ATOM 1213 CD GLU A 78 11.500 -4.064 94.769 1.00 0.00 C ATOM 1214 OE1 GLU A 78 12.015 -4.703 93.866 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.794 -4.554 95.634 1.00 0.00 O ATOM 0 H GLU A 78 15.663 -0.933 94.181 1.00 0.00 H new ATOM 0 HA GLU A 78 12.844 -0.179 94.925 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.288 -2.265 93.316 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.869 -3.043 94.775 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.581 -2.181 95.831 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.067 -2.033 94.162 1.00 0.00 H new ATOM 1222 N GLY A 79 15.401 -1.237 96.585 1.00 0.00 N ATOM 1223 CA GLY A 79 15.904 -1.473 97.959 1.00 0.00 C ATOM 1224 C GLY A 79 15.772 -2.967 98.234 1.00 0.00 C ATOM 1225 O GLY A 79 16.219 -3.469 99.246 1.00 0.00 O ATOM 0 H GLY A 79 16.115 -1.206 95.857 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.943 -1.155 98.049 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.330 -0.896 98.684 1.00 0.00 H new ATOM 1229 N HIS A 80 15.170 -3.688 97.316 1.00 0.00 N ATOM 1230 CA HIS A 80 15.021 -5.155 97.497 1.00 0.00 C ATOM 1231 C HIS A 80 16.318 -5.844 97.127 1.00 0.00 C ATOM 1232 O HIS A 80 16.894 -6.536 97.937 1.00 0.00 O ATOM 1233 CB HIS A 80 13.887 -5.685 96.609 1.00 0.00 C ATOM 1234 CG HIS A 80 12.574 -5.555 97.324 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.749 -6.645 97.490 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.955 -4.511 97.966 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.693 -6.256 98.210 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.761 -4.959 98.530 1.00 0.00 N ATOM 0 H HIS A 80 14.778 -3.317 96.451 1.00 0.00 H new ATOM 0 HA HIS A 80 14.781 -5.362 98.540 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.857 -5.129 95.672 1.00 0.00 H new ATOM 0 HB3 HIS A 80 14.070 -6.729 96.354 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.334 -3.501 98.025 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.883 -6.909 98.499 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.086 -4.416 99.069 1.00 0.00 H new ATOM 1246 N VAL A 81 16.776 -5.655 95.912 1.00 0.00 N ATOM 1247 CA VAL A 81 18.049 -6.282 95.457 1.00 0.00 C ATOM 1248 C VAL A 81 18.287 -7.649 96.129 1.00 0.00 C ATOM 1249 O VAL A 81 19.384 -8.184 96.143 1.00 0.00 O ATOM 1250 CB VAL A 81 19.192 -5.292 95.714 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.260 -4.270 94.579 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.904 -4.506 96.979 1.00 0.00 C ATOM 0 H VAL A 81 16.310 -5.082 95.208 1.00 0.00 H new ATOM 0 HA VAL A 81 17.996 -6.493 94.389 1.00 0.00 H new ATOM 0 HB VAL A 81 20.121 -5.857 95.793 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.074 -3.570 94.768 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.437 -4.786 93.635 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.318 -3.725 94.524 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.716 -3.802 97.163 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.969 -3.959 96.862 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.821 -5.192 97.822 1.00 0.00 H new ATOM 1262 N SER A 82 17.241 -8.243 96.619 1.00 0.00 N ATOM 1263 CA SER A 82 17.339 -9.591 97.208 1.00 0.00 C ATOM 1264 C SER A 82 17.148 -10.516 96.028 1.00 0.00 C ATOM 1265 O SER A 82 17.621 -11.636 95.982 1.00 0.00 O ATOM 1266 CB SER A 82 16.220 -9.790 98.233 1.00 0.00 C ATOM 1267 OG SER A 82 15.895 -11.171 98.313 1.00 0.00 O ATOM 0 H SER A 82 16.305 -7.838 96.634 1.00 0.00 H new ATOM 0 HA SER A 82 18.281 -9.767 97.728 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.536 -9.422 99.209 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.341 -9.214 97.945 1.00 0.00 H new ATOM 0 HG SER A 82 15.434 -11.350 99.159 1.00 0.00 H new ATOM 1273 N CYS A 83 16.445 -10.001 95.054 1.00 0.00 N ATOM 1274 CA CYS A 83 16.174 -10.770 93.809 1.00 0.00 C ATOM 1275 C CYS A 83 17.389 -10.671 92.882 1.00 0.00 C ATOM 1276 O CYS A 83 17.899 -11.661 92.430 1.00 0.00 O ATOM 1277 CB CYS A 83 14.949 -10.181 93.108 1.00 0.00 C ATOM 1278 SG CYS A 83 14.871 -8.402 93.425 1.00 0.00 S ATOM 0 H CYS A 83 16.042 -9.064 95.071 1.00 0.00 H new ATOM 0 HA CYS A 83 15.985 -11.815 94.055 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.005 -10.368 92.036 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.042 -10.666 93.469 1.00 0.00 H new ATOM 0 HG CYS A 83 13.747 -7.930 92.973 1.00 0.00 H new ATOM 1284 N VAL A 84 17.861 -9.479 92.603 1.00 0.00 N ATOM 1285 CA VAL A 84 19.056 -9.326 91.703 1.00 0.00 C ATOM 1286 C VAL A 84 20.085 -10.416 92.004 1.00 0.00 C ATOM 1287 O VAL A 84 20.652 -11.018 91.116 1.00 0.00 O ATOM 1288 CB VAL A 84 19.717 -7.997 91.976 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.761 -6.872 91.581 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.099 -7.939 93.453 1.00 0.00 C ATOM 0 H VAL A 84 17.473 -8.605 92.958 1.00 0.00 H new ATOM 0 HA VAL A 84 18.721 -9.396 90.668 1.00 0.00 H new ATOM 0 HB VAL A 84 20.626 -7.878 91.386 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.232 -5.909 91.776 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.524 -6.952 90.520 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.844 -6.952 92.165 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.578 -6.984 93.668 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.203 -8.041 94.065 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.789 -8.751 93.683 1.00 0.00 H new ATOM 1300 N LYS A 85 20.334 -10.657 93.263 1.00 0.00 N ATOM 1301 CA LYS A 85 21.328 -11.685 93.648 1.00 0.00 C ATOM 1302 C LYS A 85 21.013 -13.026 92.941 1.00 0.00 C ATOM 1303 O LYS A 85 21.660 -13.418 91.975 1.00 0.00 O ATOM 1304 CB LYS A 85 21.258 -11.841 95.195 1.00 0.00 C ATOM 1305 CG LYS A 85 22.637 -11.621 95.845 1.00 0.00 C ATOM 1306 CD LYS A 85 22.899 -10.121 96.028 1.00 0.00 C ATOM 1307 CE LYS A 85 24.357 -9.900 96.441 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.751 -10.923 97.451 1.00 0.00 N ATOM 0 H LYS A 85 19.885 -10.179 94.044 1.00 0.00 H new ATOM 0 HA LYS A 85 22.332 -11.388 93.345 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.544 -11.125 95.602 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.891 -12.836 95.446 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.678 -12.126 96.810 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.416 -12.061 95.222 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.689 -9.589 95.100 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.230 -9.715 96.787 1.00 0.00 H new ATOM 0 HE2 LYS A 85 25.007 -9.967 95.568 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.481 -8.899 96.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.586 -10.591 97.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.965 -11.076 98.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.977 -11.817 96.970 1.00 0.00 H new ATOM 1322 N LEU A 86 20.043 -13.749 93.420 1.00 0.00 N ATOM 1323 CA LEU A 86 19.742 -15.059 92.772 1.00 0.00 C ATOM 1324 C LEU A 86 19.302 -14.857 91.333 1.00 0.00 C ATOM 1325 O LEU A 86 19.093 -15.802 90.598 1.00 0.00 O ATOM 1326 CB LEU A 86 18.687 -15.881 93.540 1.00 0.00 C ATOM 1327 CG LEU A 86 17.370 -15.129 93.801 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.592 -13.926 94.719 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.705 -14.689 92.487 1.00 0.00 C ATOM 0 H LEU A 86 19.455 -13.500 94.215 1.00 0.00 H new ATOM 0 HA LEU A 86 20.669 -15.633 92.791 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.469 -16.788 92.977 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.110 -16.193 94.495 1.00 0.00 H new ATOM 0 HG LEU A 86 16.696 -15.822 94.304 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.644 -13.415 94.885 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.993 -14.266 95.674 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.298 -13.238 94.253 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.777 -14.161 92.708 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.378 -14.027 91.942 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.487 -15.566 91.878 1.00 0.00 H new ATOM 1341 N LEU A 87 19.153 -13.641 90.922 1.00 0.00 N ATOM 1342 CA LEU A 87 18.719 -13.392 89.527 1.00 0.00 C ATOM 1343 C LEU A 87 19.839 -13.835 88.620 1.00 0.00 C ATOM 1344 O LEU A 87 19.658 -14.160 87.463 1.00 0.00 O ATOM 1345 CB LEU A 87 18.444 -11.893 89.365 1.00 0.00 C ATOM 1346 CG LEU A 87 17.083 -11.672 88.734 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.684 -10.208 88.889 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.174 -12.046 87.269 1.00 0.00 C ATOM 0 H LEU A 87 19.312 -12.807 91.488 1.00 0.00 H new ATOM 0 HA LEU A 87 17.810 -13.940 89.279 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.486 -11.402 90.337 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.218 -11.439 88.745 1.00 0.00 H new ATOM 0 HG LEU A 87 16.327 -12.288 89.222 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.706 -10.048 88.436 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.640 -9.953 89.948 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.421 -9.576 88.394 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.205 -11.895 86.794 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.920 -11.420 86.779 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.463 -13.093 87.178 1.00 0.00 H new ATOM 1360 N LEU A 88 20.995 -13.856 89.165 1.00 0.00 N ATOM 1361 CA LEU A 88 22.174 -14.278 88.409 1.00 0.00 C ATOM 1362 C LEU A 88 22.155 -15.766 88.310 1.00 0.00 C ATOM 1363 O LEU A 88 22.685 -16.358 87.390 1.00 0.00 O ATOM 1364 CB LEU A 88 23.419 -13.880 89.155 1.00 0.00 C ATOM 1365 CG LEU A 88 23.287 -12.439 89.611 1.00 0.00 C ATOM 1366 CD1 LEU A 88 24.285 -12.199 90.734 1.00 0.00 C ATOM 1367 CD2 LEU A 88 23.507 -11.504 88.408 1.00 0.00 C ATOM 0 H LEU A 88 21.180 -13.591 90.132 1.00 0.00 H new ATOM 0 HA LEU A 88 22.165 -13.814 87.423 1.00 0.00 H new ATOM 0 HB2 LEU A 88 23.567 -14.534 90.014 1.00 0.00 H new ATOM 0 HB3 LEU A 88 24.293 -13.993 88.514 1.00 0.00 H new ATOM 0 HG LEU A 88 22.290 -12.231 89.998 1.00 0.00 H new ATOM 0 HD11 LEU A 88 24.206 -11.167 91.077 1.00 0.00 H new ATOM 0 HD12 LEU A 88 24.070 -12.874 91.562 1.00 0.00 H new ATOM 0 HD13 LEU A 88 25.295 -12.384 90.369 1.00 0.00 H new ATOM 0 HD21 LEU A 88 23.413 -10.467 88.731 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.504 -11.667 87.998 1.00 0.00 H new ATOM 0 HD23 LEU A 88 22.760 -11.715 87.642 1.00 0.00 H new ATOM 1379 N SER A 89 21.510 -16.385 89.249 1.00 0.00 N ATOM 1380 CA SER A 89 21.412 -17.863 89.204 1.00 0.00 C ATOM 1381 C SER A 89 20.879 -18.219 87.819 1.00 0.00 C ATOM 1382 O SER A 89 20.878 -19.360 87.400 1.00 0.00 O ATOM 1383 CB SER A 89 20.444 -18.356 90.285 1.00 0.00 C ATOM 1384 OG SER A 89 20.633 -19.751 90.481 1.00 0.00 O ATOM 0 H SER A 89 21.049 -15.937 90.041 1.00 0.00 H new ATOM 0 HA SER A 89 22.380 -18.331 89.386 1.00 0.00 H new ATOM 0 HB2 SER A 89 20.617 -17.819 91.218 1.00 0.00 H new ATOM 0 HB3 SER A 89 19.415 -18.155 89.988 1.00 0.00 H new ATOM 0 HG SER A 89 20.017 -20.071 91.173 1.00 0.00 H new ATOM 1390 N LYS A 90 20.439 -17.207 87.103 1.00 0.00 N ATOM 1391 CA LYS A 90 19.910 -17.396 85.735 1.00 0.00 C ATOM 1392 C LYS A 90 20.816 -16.666 84.740 1.00 0.00 C ATOM 1393 O LYS A 90 20.817 -16.955 83.560 1.00 0.00 O ATOM 1394 CB LYS A 90 18.499 -16.813 85.710 1.00 0.00 C ATOM 1395 CG LYS A 90 17.537 -17.736 86.494 1.00 0.00 C ATOM 1396 CD LYS A 90 17.397 -17.258 87.950 1.00 0.00 C ATOM 1397 CE LYS A 90 16.342 -16.150 88.032 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.181 -15.724 89.446 1.00 0.00 N ATOM 0 H LYS A 90 20.430 -16.240 87.429 1.00 0.00 H new ATOM 0 HA LYS A 90 19.883 -18.450 85.459 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.500 -15.816 86.150 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.158 -16.707 84.680 1.00 0.00 H new ATOM 0 HG2 LYS A 90 16.559 -17.745 86.012 1.00 0.00 H new ATOM 0 HG3 LYS A 90 17.911 -18.760 86.476 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.112 -18.092 88.591 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.355 -16.888 88.315 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.642 -15.301 87.417 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.391 -16.509 87.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.234 -15.991 89.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.902 -16.190 90.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.294 -14.692 89.513 1.00 0.00 H new ATOM 1412 N GLY A 91 21.596 -15.727 85.217 1.00 0.00 N ATOM 1413 CA GLY A 91 22.527 -14.965 84.329 1.00 0.00 C ATOM 1414 C GLY A 91 22.215 -13.476 84.430 1.00 0.00 C ATOM 1415 O GLY A 91 22.816 -12.751 85.197 1.00 0.00 O ATOM 0 H GLY A 91 21.627 -15.453 86.199 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.560 -15.152 84.620 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.421 -15.301 83.298 1.00 0.00 H new ATOM 1419 N ALA A 92 21.265 -13.020 83.666 1.00 0.00 N ATOM 1420 CA ALA A 92 20.884 -11.580 83.706 1.00 0.00 C ATOM 1421 C ALA A 92 22.117 -10.691 83.524 1.00 0.00 C ATOM 1422 O ALA A 92 22.002 -9.482 83.557 1.00 0.00 O ATOM 1423 CB ALA A 92 20.232 -11.287 85.075 1.00 0.00 C ATOM 0 H ALA A 92 20.730 -13.588 83.009 1.00 0.00 H new ATOM 0 HA ALA A 92 20.186 -11.366 82.897 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.946 -10.236 85.124 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.346 -11.911 85.197 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.943 -11.507 85.871 1.00 0.00 H new ATOM 1429 N ASP A 93 23.284 -11.271 83.338 1.00 0.00 N ATOM 1430 CA ASP A 93 24.532 -10.452 83.170 1.00 0.00 C ATOM 1431 C ASP A 93 24.426 -9.179 84.023 1.00 0.00 C ATOM 1432 O ASP A 93 24.321 -9.246 85.231 1.00 0.00 O ATOM 1433 CB ASP A 93 24.722 -10.106 81.688 1.00 0.00 C ATOM 1434 CG ASP A 93 26.166 -9.661 81.442 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.628 -8.791 82.161 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.784 -10.199 80.537 1.00 0.00 O ATOM 0 H ASP A 93 23.425 -12.280 83.295 1.00 0.00 H new ATOM 0 HA ASP A 93 25.399 -11.021 83.504 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.488 -10.973 81.070 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.033 -9.313 81.399 1.00 0.00 H new ATOM 1441 N LYS A 94 24.417 -8.031 83.416 1.00 0.00 N ATOM 1442 CA LYS A 94 24.277 -6.785 84.210 1.00 0.00 C ATOM 1443 C LYS A 94 23.912 -5.618 83.270 1.00 0.00 C ATOM 1444 O LYS A 94 23.294 -4.653 83.678 1.00 0.00 O ATOM 1445 CB LYS A 94 25.578 -6.531 84.968 1.00 0.00 C ATOM 1446 CG LYS A 94 26.783 -6.618 84.000 1.00 0.00 C ATOM 1447 CD LYS A 94 27.768 -5.480 84.277 1.00 0.00 C ATOM 1448 CE LYS A 94 27.206 -4.183 83.699 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.205 -3.089 83.865 1.00 0.00 N ATOM 0 H LYS A 94 24.500 -7.901 82.408 1.00 0.00 H new ATOM 0 HA LYS A 94 23.475 -6.879 84.942 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.549 -5.548 85.437 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.691 -7.263 85.768 1.00 0.00 H new ATOM 0 HG2 LYS A 94 27.284 -7.579 84.117 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.435 -6.564 82.969 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.930 -5.375 85.350 1.00 0.00 H new ATOM 0 HD3 LYS A 94 28.736 -5.703 83.829 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.969 -4.316 82.643 1.00 0.00 H new ATOM 0 HE3 LYS A 94 26.276 -3.920 84.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 27.822 -2.206 83.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 28.410 -2.957 84.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 29.081 -3.340 83.364 1.00 0.00 H new ATOM 1463 N THR A 95 24.244 -5.727 82.000 1.00 0.00 N ATOM 1464 CA THR A 95 23.873 -4.665 81.005 1.00 0.00 C ATOM 1465 C THR A 95 23.358 -5.367 79.758 1.00 0.00 C ATOM 1466 O THR A 95 23.810 -5.120 78.657 1.00 0.00 O ATOM 1467 CB THR A 95 25.083 -3.789 80.618 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.250 -4.591 80.548 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.267 -2.664 81.643 1.00 0.00 C ATOM 0 H THR A 95 24.761 -6.514 81.608 1.00 0.00 H new ATOM 0 HA THR A 95 23.121 -4.012 81.448 1.00 0.00 H new ATOM 0 HB THR A 95 24.904 -3.340 79.641 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.016 -4.033 80.300 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.123 -2.051 81.361 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.370 -2.045 81.668 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.438 -3.095 82.629 1.00 0.00 H new ATOM 1477 N VAL A 96 22.422 -6.249 79.912 1.00 0.00 N ATOM 1478 CA VAL A 96 21.907 -6.953 78.724 1.00 0.00 C ATOM 1479 C VAL A 96 21.118 -5.963 77.882 1.00 0.00 C ATOM 1480 O VAL A 96 20.779 -6.235 76.747 1.00 0.00 O ATOM 1481 CB VAL A 96 20.972 -8.086 79.160 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.326 -8.725 77.925 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.762 -9.141 79.944 1.00 0.00 C ATOM 0 H VAL A 96 21.996 -6.510 80.801 1.00 0.00 H new ATOM 0 HA VAL A 96 22.737 -7.368 78.152 1.00 0.00 H new ATOM 0 HB VAL A 96 20.190 -7.680 79.803 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.662 -9.530 78.238 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.754 -7.972 77.383 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.103 -9.127 77.275 1.00 0.00 H new ATOM 0 HG21 VAL A 96 21.092 -9.944 80.251 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.551 -9.549 79.312 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.206 -8.681 80.827 1.00 0.00 H new ATOM 1493 N LYS A 97 20.828 -4.801 78.411 1.00 0.00 N ATOM 1494 CA LYS A 97 20.065 -3.814 77.582 1.00 0.00 C ATOM 1495 C LYS A 97 19.925 -2.457 78.294 1.00 0.00 C ATOM 1496 O LYS A 97 19.256 -1.572 77.798 1.00 0.00 O ATOM 1497 CB LYS A 97 18.670 -4.395 77.230 1.00 0.00 C ATOM 1498 CG LYS A 97 18.427 -4.376 75.710 1.00 0.00 C ATOM 1499 CD LYS A 97 18.225 -2.934 75.235 1.00 0.00 C ATOM 1500 CE LYS A 97 18.224 -2.893 73.706 1.00 0.00 C ATOM 1501 NZ LYS A 97 17.440 -4.045 73.178 1.00 0.00 N ATOM 0 H LYS A 97 21.077 -4.497 79.352 1.00 0.00 H new ATOM 0 HA LYS A 97 20.624 -3.638 76.663 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.595 -5.417 77.600 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.895 -3.816 77.732 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.275 -4.824 75.191 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.550 -4.975 75.465 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.284 -2.542 75.620 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.019 -2.297 75.625 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.792 -1.955 73.357 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.246 -2.932 73.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.165 -3.855 72.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.021 -4.907 73.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.586 -4.178 73.757 1.00 0.00 H new ATOM 1515 N GLY A 98 20.540 -2.252 79.425 1.00 0.00 N ATOM 1516 CA GLY A 98 20.396 -0.924 80.070 1.00 0.00 C ATOM 1517 C GLY A 98 21.216 0.062 79.237 1.00 0.00 C ATOM 1518 O GLY A 98 21.944 -0.354 78.357 1.00 0.00 O ATOM 0 H GLY A 98 21.122 -2.929 79.918 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.349 -0.623 80.106 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.755 -0.953 81.099 1.00 0.00 H new ATOM 1522 N PRO A 99 21.076 1.336 79.501 1.00 0.00 N ATOM 1523 CA PRO A 99 21.808 2.359 78.735 1.00 0.00 C ATOM 1524 C PRO A 99 23.260 1.938 78.607 1.00 0.00 C ATOM 1525 O PRO A 99 23.704 1.474 77.576 1.00 0.00 O ATOM 1526 CB PRO A 99 21.640 3.657 79.555 1.00 0.00 C ATOM 1527 CG PRO A 99 20.683 3.329 80.741 1.00 0.00 C ATOM 1528 CD PRO A 99 20.225 1.861 80.581 1.00 0.00 C ATOM 0 HA PRO A 99 21.439 2.497 77.719 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.604 4.007 79.924 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.227 4.453 78.936 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.193 3.469 81.694 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.824 4.000 80.737 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.360 1.298 81.505 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.168 1.799 80.322 1.00 0.00 H new ATOM 1536 N ASP A 100 23.992 2.079 79.656 1.00 0.00 N ATOM 1537 CA ASP A 100 25.411 1.676 79.629 1.00 0.00 C ATOM 1538 C ASP A 100 25.809 1.240 81.030 1.00 0.00 C ATOM 1539 O ASP A 100 25.153 0.431 81.660 1.00 0.00 O ATOM 1540 CB ASP A 100 26.272 2.861 79.182 1.00 0.00 C ATOM 1541 CG ASP A 100 27.669 2.364 78.810 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.755 1.389 78.083 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.630 2.967 79.260 1.00 0.00 O ATOM 0 H ASP A 100 23.667 2.461 80.544 1.00 0.00 H new ATOM 0 HA ASP A 100 25.560 0.854 78.929 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.811 3.357 78.328 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.338 3.599 79.982 1.00 0.00 H new ATOM 1548 N GLY A 101 26.869 1.774 81.522 1.00 0.00 N ATOM 1549 CA GLY A 101 27.319 1.395 82.874 1.00 0.00 C ATOM 1550 C GLY A 101 26.237 1.729 83.900 1.00 0.00 C ATOM 1551 O GLY A 101 26.415 1.492 85.082 1.00 0.00 O ATOM 0 H GLY A 101 27.451 2.463 81.046 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.544 0.329 82.905 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.240 1.923 83.120 1.00 0.00 H new ATOM 1555 N LEU A 102 25.093 2.245 83.488 1.00 0.00 N ATOM 1556 CA LEU A 102 24.052 2.552 84.493 1.00 0.00 C ATOM 1557 C LEU A 102 23.863 1.358 85.327 1.00 0.00 C ATOM 1558 O LEU A 102 24.259 1.376 86.474 1.00 0.00 O ATOM 1559 CB LEU A 102 22.714 2.955 83.837 1.00 0.00 C ATOM 1560 CG LEU A 102 21.652 3.459 84.868 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.331 3.698 84.151 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.408 2.458 86.016 1.00 0.00 C ATOM 0 H LEU A 102 24.853 2.457 82.520 1.00 0.00 H new ATOM 0 HA LEU A 102 24.378 3.401 85.093 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.898 3.738 83.102 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.309 2.099 83.296 1.00 0.00 H new ATOM 0 HG LEU A 102 22.044 4.378 85.304 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.587 4.050 84.866 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.470 4.449 83.373 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.988 2.767 83.699 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.662 2.863 86.699 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.050 1.514 85.606 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.340 2.289 86.555 1.00 0.00 H new ATOM 1574 N THR A 103 23.222 0.342 84.805 1.00 0.00 N ATOM 1575 CA THR A 103 22.946 -0.848 85.636 1.00 0.00 C ATOM 1576 C THR A 103 22.965 -0.402 87.085 1.00 0.00 C ATOM 1577 O THR A 103 22.174 0.402 87.530 1.00 0.00 O ATOM 1578 CB THR A 103 24.018 -1.915 85.390 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.031 -2.838 86.471 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.387 -1.247 85.262 1.00 0.00 C ATOM 0 H THR A 103 22.883 0.294 83.844 1.00 0.00 H new ATOM 0 HA THR A 103 21.978 -1.282 85.385 1.00 0.00 H new ATOM 0 HB THR A 103 23.792 -2.449 84.467 1.00 0.00 H new ATOM 0 HG1 THR A 103 24.954 -3.111 86.657 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.148 -2.008 85.087 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.374 -0.548 84.426 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.617 -0.709 86.182 1.00 0.00 H new ATOM 1588 N ALA A 104 23.890 -0.849 87.800 1.00 0.00 N ATOM 1589 CA ALA A 104 23.980 -0.441 89.210 1.00 0.00 C ATOM 1590 C ALA A 104 24.791 0.852 89.413 1.00 0.00 C ATOM 1591 O ALA A 104 24.575 1.580 90.366 1.00 0.00 O ATOM 1592 CB ALA A 104 24.665 -1.573 89.908 1.00 0.00 C ATOM 0 H ALA A 104 24.614 -1.494 87.484 1.00 0.00 H new ATOM 0 HA ALA A 104 22.984 -0.231 89.599 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.767 -1.339 90.968 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.075 -2.482 89.793 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.653 -1.724 89.473 1.00 0.00 H new ATOM 1598 N LEU A 105 25.750 1.119 88.575 1.00 0.00 N ATOM 1599 CA LEU A 105 26.599 2.319 88.781 1.00 0.00 C ATOM 1600 C LEU A 105 25.793 3.609 88.858 1.00 0.00 C ATOM 1601 O LEU A 105 25.754 4.262 89.882 1.00 0.00 O ATOM 1602 CB LEU A 105 27.578 2.474 87.625 1.00 0.00 C ATOM 1603 CG LEU A 105 28.211 1.148 87.256 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.227 1.390 86.144 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.915 0.578 88.473 1.00 0.00 C ATOM 0 H LEU A 105 25.982 0.557 87.756 1.00 0.00 H new ATOM 0 HA LEU A 105 27.112 2.162 89.730 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.059 2.885 86.759 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.356 3.187 87.898 1.00 0.00 H new ATOM 0 HG LEU A 105 27.450 0.445 86.917 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.693 0.445 85.865 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.723 1.816 85.277 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.992 2.083 86.495 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.373 -0.377 88.214 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.687 1.272 88.805 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.192 0.428 89.275 1.00 0.00 H new ATOM 1617 N GLU A 106 25.226 4.041 87.765 1.00 0.00 N ATOM 1618 CA GLU A 106 24.531 5.349 87.788 1.00 0.00 C ATOM 1619 C GLU A 106 23.158 5.191 88.408 1.00 0.00 C ATOM 1620 O GLU A 106 22.371 6.116 88.452 1.00 0.00 O ATOM 1621 CB GLU A 106 24.405 5.897 86.366 1.00 0.00 C ATOM 1622 CG GLU A 106 25.752 5.815 85.650 1.00 0.00 C ATOM 1623 CD GLU A 106 26.746 6.768 86.315 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.367 7.897 86.581 1.00 0.00 O ATOM 1625 OE2 GLU A 106 27.870 6.353 86.547 1.00 0.00 O ATOM 0 H GLU A 106 25.216 3.550 86.871 1.00 0.00 H new ATOM 0 HA GLU A 106 25.111 6.051 88.387 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.656 5.329 85.814 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.063 6.931 86.396 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.132 4.794 85.685 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.632 6.074 84.598 1.00 0.00 H new ATOM 1632 N ALA A 107 22.859 4.025 88.887 1.00 0.00 N ATOM 1633 CA ALA A 107 21.534 3.812 89.500 1.00 0.00 C ATOM 1634 C ALA A 107 21.462 4.399 90.915 1.00 0.00 C ATOM 1635 O ALA A 107 20.447 4.945 91.300 1.00 0.00 O ATOM 1636 CB ALA A 107 21.270 2.314 89.585 1.00 0.00 C ATOM 0 H ALA A 107 23.475 3.212 88.880 1.00 0.00 H new ATOM 0 HA ALA A 107 20.789 4.313 88.882 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.293 2.142 90.037 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.288 1.884 88.584 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.040 1.843 90.196 1.00 0.00 H new ATOM 1642 N THR A 108 22.476 4.240 91.728 1.00 0.00 N ATOM 1643 CA THR A 108 22.345 4.743 93.124 1.00 0.00 C ATOM 1644 C THR A 108 23.693 4.972 93.821 1.00 0.00 C ATOM 1645 O THR A 108 24.701 5.284 93.219 1.00 0.00 O ATOM 1646 CB THR A 108 21.623 3.646 93.887 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.360 4.078 95.216 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.521 2.397 93.905 1.00 0.00 C ATOM 0 H THR A 108 23.364 3.796 91.493 1.00 0.00 H new ATOM 0 HA THR A 108 21.828 5.702 93.104 1.00 0.00 H new ATOM 0 HB THR A 108 20.674 3.413 93.405 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.230 5.049 95.225 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.020 1.596 94.449 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.716 2.074 92.882 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.465 2.634 94.396 1.00 0.00 H new ATOM 1656 N ASP A 109 23.671 4.775 95.122 1.00 0.00 N ATOM 1657 CA ASP A 109 24.876 4.916 95.973 1.00 0.00 C ATOM 1658 C ASP A 109 24.794 3.911 97.123 1.00 0.00 C ATOM 1659 O ASP A 109 25.743 3.738 97.862 1.00 0.00 O ATOM 1660 CB ASP A 109 24.963 6.339 96.528 1.00 0.00 C ATOM 1661 CG ASP A 109 26.282 6.514 97.282 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.321 6.343 96.666 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.232 6.816 98.463 1.00 0.00 O ATOM 0 H ASP A 109 22.830 4.513 95.636 1.00 0.00 H new ATOM 0 HA ASP A 109 25.768 4.720 95.378 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.898 7.062 95.715 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.123 6.533 97.195 1.00 0.00 H new ATOM 1668 N ASN A 110 23.699 3.196 97.262 1.00 0.00 N ATOM 1669 CA ASN A 110 23.655 2.172 98.343 1.00 0.00 C ATOM 1670 C ASN A 110 24.478 1.010 97.807 1.00 0.00 C ATOM 1671 O ASN A 110 24.456 0.721 96.635 1.00 0.00 O ATOM 1672 CB ASN A 110 22.215 1.756 98.681 1.00 0.00 C ATOM 1673 CG ASN A 110 21.614 0.951 97.546 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.122 1.071 96.367 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.678 0.202 97.743 1.00 0.00 N flip ATOM 0 H ASN A 110 22.859 3.277 96.689 1.00 0.00 H new ATOM 0 HA ASN A 110 24.057 2.552 99.282 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.206 1.166 99.597 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.608 2.642 98.867 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.283 0.114 98.679 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.287 -0.339 96.972 1.00 0.00 H new ATOM 1682 N GLN A 111 25.287 0.419 98.617 1.00 0.00 N ATOM 1683 CA GLN A 111 26.208 -0.634 98.113 1.00 0.00 C ATOM 1684 C GLN A 111 25.542 -1.995 97.793 1.00 0.00 C ATOM 1685 O GLN A 111 26.188 -2.911 97.330 1.00 0.00 O ATOM 1686 CB GLN A 111 27.314 -0.769 99.144 1.00 0.00 C ATOM 1687 CG GLN A 111 28.161 -2.019 98.876 1.00 0.00 C ATOM 1688 CD GLN A 111 27.584 -3.232 99.618 1.00 0.00 C ATOM 1689 OE1 GLN A 111 26.961 -3.090 100.651 1.00 0.00 O ATOM 1690 NE2 GLN A 111 27.774 -4.427 99.130 1.00 0.00 N ATOM 0 H GLN A 111 25.357 0.615 99.615 1.00 0.00 H new ATOM 0 HA GLN A 111 26.592 -0.323 97.141 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.948 0.117 99.121 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.881 -0.825 100.143 1.00 0.00 H new ATOM 0 HG2 GLN A 111 28.191 -2.222 97.805 1.00 0.00 H new ATOM 0 HG3 GLN A 111 29.188 -1.845 99.197 1.00 0.00 H new ATOM 0 HE21 GLN A 111 28.297 -4.546 98.263 1.00 0.00 H new ATOM 0 HE22 GLN A 111 27.399 -5.242 99.616 1.00 0.00 H new ATOM 1699 N ALA A 112 24.283 -2.159 98.000 1.00 0.00 N ATOM 1700 CA ALA A 112 23.668 -3.484 97.665 1.00 0.00 C ATOM 1701 C ALA A 112 23.470 -3.571 96.149 1.00 0.00 C ATOM 1702 O ALA A 112 23.733 -4.576 95.503 1.00 0.00 O ATOM 1703 CB ALA A 112 22.327 -3.608 98.369 1.00 0.00 C ATOM 0 H ALA A 112 23.648 -1.457 98.379 1.00 0.00 H new ATOM 0 HA ALA A 112 24.320 -4.293 97.994 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.877 -4.571 98.127 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.474 -3.536 99.447 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.667 -2.806 98.039 1.00 0.00 H new ATOM 1709 N ILE A 113 23.065 -2.497 95.581 1.00 0.00 N ATOM 1710 CA ILE A 113 22.884 -2.424 94.108 1.00 0.00 C ATOM 1711 C ILE A 113 24.251 -2.570 93.505 1.00 0.00 C ATOM 1712 O ILE A 113 24.500 -3.336 92.587 1.00 0.00 O ATOM 1713 CB ILE A 113 22.374 -1.008 93.794 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.840 -0.958 93.819 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.892 -0.510 92.432 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.321 -0.889 95.254 1.00 0.00 C ATOM 0 H ILE A 113 22.842 -1.635 96.079 1.00 0.00 H new ATOM 0 HA ILE A 113 22.198 -3.182 93.731 1.00 0.00 H new ATOM 0 HB ILE A 113 22.761 -0.348 94.570 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.491 -0.090 93.260 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.435 -1.840 93.323 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.512 0.494 92.243 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.982 -0.489 92.443 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.550 -1.182 91.645 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.232 -0.854 95.246 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.652 -1.770 95.803 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.709 0.007 95.738 1.00 0.00 H new ATOM 1728 N LYS A 114 25.134 -1.806 94.028 1.00 0.00 N ATOM 1729 CA LYS A 114 26.502 -1.820 93.537 1.00 0.00 C ATOM 1730 C LYS A 114 26.988 -3.267 93.566 1.00 0.00 C ATOM 1731 O LYS A 114 27.967 -3.622 92.947 1.00 0.00 O ATOM 1732 CB LYS A 114 27.348 -0.900 94.414 1.00 0.00 C ATOM 1733 CG LYS A 114 26.660 0.485 94.528 1.00 0.00 C ATOM 1734 CD LYS A 114 26.802 1.269 93.219 1.00 0.00 C ATOM 1735 CE LYS A 114 26.490 2.747 93.463 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.545 3.339 94.331 1.00 0.00 N ATOM 0 H LYS A 114 24.958 -1.157 94.795 1.00 0.00 H new ATOM 0 HA LYS A 114 26.578 -1.451 92.514 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.473 -1.338 95.404 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.345 -0.788 93.987 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.605 0.354 94.767 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.104 1.051 95.347 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.814 1.161 92.828 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.125 0.864 92.467 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.442 3.281 92.514 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.514 2.850 93.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.631 4.355 94.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.288 3.206 95.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.454 2.870 94.142 1.00 0.00 H new ATOM 1750 N ALA A 115 26.266 -4.120 94.254 1.00 0.00 N ATOM 1751 CA ALA A 115 26.648 -5.544 94.280 1.00 0.00 C ATOM 1752 C ALA A 115 26.463 -6.110 92.874 1.00 0.00 C ATOM 1753 O ALA A 115 27.251 -6.892 92.415 1.00 0.00 O ATOM 1754 CB ALA A 115 25.791 -6.316 95.279 1.00 0.00 C ATOM 0 H ALA A 115 25.434 -3.881 94.793 1.00 0.00 H new ATOM 0 HA ALA A 115 27.687 -5.642 94.593 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.090 -7.364 95.281 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.928 -5.897 96.276 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.742 -6.239 94.994 1.00 0.00 H new ATOM 1760 N LEU A 116 25.451 -5.712 92.145 1.00 0.00 N ATOM 1761 CA LEU A 116 25.355 -6.262 90.758 1.00 0.00 C ATOM 1762 C LEU A 116 26.525 -5.733 89.933 1.00 0.00 C ATOM 1763 O LEU A 116 26.894 -6.308 88.929 1.00 0.00 O ATOM 1764 CB LEU A 116 24.000 -5.914 90.081 1.00 0.00 C ATOM 1765 CG LEU A 116 23.020 -7.108 90.145 1.00 0.00 C ATOM 1766 CD1 LEU A 116 21.704 -6.746 89.422 1.00 0.00 C ATOM 1767 CD2 LEU A 116 23.648 -8.337 89.442 1.00 0.00 C ATOM 0 H LEU A 116 24.719 -5.062 92.431 1.00 0.00 H new ATOM 0 HA LEU A 116 25.403 -7.350 90.814 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.556 -5.049 90.574 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.171 -5.636 89.041 1.00 0.00 H new ATOM 0 HG LEU A 116 22.817 -7.339 91.191 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.018 -7.591 89.471 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.249 -5.881 89.905 1.00 0.00 H new ATOM 0 HD13 LEU A 116 21.915 -6.509 88.379 1.00 0.00 H new ATOM 0 HD21 LEU A 116 22.955 -9.177 89.489 1.00 0.00 H new ATOM 0 HD22 LEU A 116 23.854 -8.094 88.399 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.578 -8.606 89.942 1.00 0.00 H new ATOM 1779 N LEU A 117 27.137 -4.674 90.363 1.00 0.00 N ATOM 1780 CA LEU A 117 28.312 -4.154 89.618 1.00 0.00 C ATOM 1781 C LEU A 117 29.512 -4.985 90.078 1.00 0.00 C ATOM 1782 O LEU A 117 30.623 -4.846 89.613 1.00 0.00 O ATOM 1783 CB LEU A 117 28.443 -2.633 89.914 1.00 0.00 C ATOM 1784 CG LEU A 117 29.664 -2.276 90.812 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.979 -2.294 89.985 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.461 -0.871 91.437 1.00 0.00 C ATOM 0 H LEU A 117 26.877 -4.145 91.196 1.00 0.00 H new ATOM 0 HA LEU A 117 28.228 -4.247 88.535 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.526 -2.094 88.971 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.531 -2.286 90.400 1.00 0.00 H new ATOM 0 HG LEU A 117 29.741 -3.021 91.604 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.819 -2.042 90.632 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.131 -3.288 89.564 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.911 -1.565 89.178 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.317 -0.625 92.065 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.368 -0.130 90.643 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.555 -0.870 92.043 1.00 0.00 H new ATOM 1798 N GLN A 118 29.256 -5.876 90.989 1.00 0.00 N ATOM 1799 CA GLN A 118 30.313 -6.761 91.521 1.00 0.00 C ATOM 1800 C GLN A 118 30.701 -7.800 90.464 1.00 0.00 C ATOM 1801 O GLN A 118 31.802 -8.320 90.548 1.00 0.00 O ATOM 1802 CB GLN A 118 29.760 -7.462 92.753 1.00 0.00 C ATOM 1803 CG GLN A 118 30.872 -8.113 93.523 1.00 0.00 C ATOM 1804 CD GLN A 118 30.304 -8.779 94.778 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.109 -8.452 95.190 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 30.953 -9.604 95.389 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 29.891 -8.057 89.588 1.00 0.00 O ATOM 0 H GLN A 118 28.333 -6.029 91.395 1.00 0.00 H new ATOM 0 HA GLN A 118 31.199 -6.181 91.779 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.241 -6.743 93.387 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.027 -8.212 92.455 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.374 -8.854 92.901 1.00 0.00 H new ATOM 0 HG3 GLN A 118 31.620 -7.370 93.800 1.00 0.00 H new ATOM 0 HE21 GLN A 118 31.887 -9.859 95.067 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.565 -10.042 96.224 1.00 0.00 H new