USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 967 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 66 MET CE :methyl -165:sc= -2.88! (180deg=-0.962) USER MOD Set 1.2: A 69 TYR OH : rot -27:sc= -1.91! USER MOD Set 2.1: A 57 THR OG1 : rot -65:sc= 0.855 USER MOD Set 2.2: A 58 ASN : amide:sc= -1.1 X(o=-0.25,f=0.041) USER MOD Set 3.1: A 21 GLN : amide:sc= -9! C(o=-15!,f=-13!) USER MOD Set 3.2: A 79 GLN : amide:sc= -6.33! C(o=-15!,f=-11!) USER MOD Single : A 12 CYS SG : rot 172:sc= -2.94! USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0942 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.533 K(o=-0.53,f=-1.2) USER MOD Single : A 32 TYR OH : rot 70:sc= -3! USER MOD Single : A 33 GLN : amide:sc=-0.000764 K(o=-0.00076,f=-0.62) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -73:sc= 0.846 USER MOD Single : A 61 TYR OH : rot 130:sc= -4.21! USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.547 (180deg=-1.74!) USER MOD Single : A 71 SER OG : rot 120:sc= -0.228 USER MOD Single : A 82 LYS NZ :NH3+ -133:sc= -2.65! (180deg=-6.46!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 150:sc= -1.81 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -161:sc= 0.0433 (180deg=-0.927!) USER MOD Single : A 105 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.42!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.00544 USER MOD Single : A 120 HIS : no HD1:sc= -2.11! K(o=-2.1!,f=-1.1) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -4.43! K(o=-4.4!,f=-1) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N ARG A 8 119.717 -0.213 -8.951 1.00 0.00 N ATOM 125 CA ARG A 8 118.937 -1.294 -8.361 1.00 0.00 C ATOM 126 C ARG A 8 118.898 -1.170 -6.841 1.00 0.00 C ATOM 127 O ARG A 8 117.822 -1.214 -6.241 1.00 0.00 O ATOM 128 CB ARG A 8 119.525 -2.650 -8.758 1.00 0.00 C ATOM 129 CG ARG A 8 119.447 -2.933 -10.250 1.00 0.00 C ATOM 130 CD ARG A 8 118.009 -3.114 -10.708 1.00 0.00 C ATOM 131 NE ARG A 8 117.683 -2.253 -11.840 1.00 0.00 N ATOM 132 CZ ARG A 8 118.052 -2.509 -13.091 1.00 0.00 C ATOM 133 NH1 ARG A 8 118.757 -3.598 -13.366 1.00 0.00 N ATOM 134 NH2 ARG A 8 117.717 -1.677 -14.067 1.00 0.00 N ATOM 0 HA ARG A 8 117.918 -1.222 -8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 8 120.568 -2.691 -8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 8 118.998 -3.437 -8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 8 119.905 -2.112 -10.802 1.00 0.00 H new ATOM 0 HG3 ARG A 8 120.020 -3.831 -10.482 1.00 0.00 H new ATOM 0 HD2 ARG A 8 117.845 -4.155 -10.986 1.00 0.00 H new ATOM 0 HD3 ARG A 8 117.335 -2.895 -9.880 1.00 0.00 H new ATOM 0 HE ARG A 8 117.142 -1.407 -11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 8 119.017 -4.240 -12.617 1.00 0.00 H new ATOM 0 HH12 ARG A 8 119.040 -3.794 -14.326 1.00 0.00 H new ATOM 0 HH21 ARG A 8 117.175 -0.838 -13.859 1.00 0.00 H new ATOM 0 HH22 ARG A 8 118.001 -1.875 -15.026 1.00 0.00 H new ATOM 148 N ALA A 9 120.084 -1.016 -6.240 1.00 0.00 N ATOM 149 CA ALA A 9 120.233 -0.881 -4.788 1.00 0.00 C ATOM 150 C ALA A 9 118.900 -0.616 -4.097 1.00 0.00 C ATOM 151 O ALA A 9 118.341 -1.500 -3.447 1.00 0.00 O ATOM 152 CB ALA A 9 121.226 0.228 -4.466 1.00 0.00 C ATOM 0 H ALA A 9 120.968 -0.982 -6.748 1.00 0.00 H new ATOM 0 HA ALA A 9 120.612 -1.829 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.330 0.321 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 9 122.195 -0.012 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.865 1.170 -4.878 1.00 0.00 H new ATOM 158 N ARG A 10 118.397 0.604 -4.245 1.00 0.00 N ATOM 159 CA ARG A 10 117.132 0.993 -3.634 1.00 0.00 C ATOM 160 C ARG A 10 116.156 -0.177 -3.590 1.00 0.00 C ATOM 161 O ARG A 10 115.884 -0.733 -2.526 1.00 0.00 O ATOM 162 CB ARG A 10 116.511 2.160 -4.403 1.00 0.00 C ATOM 163 CG ARG A 10 115.952 3.251 -3.504 1.00 0.00 C ATOM 164 CD ARG A 10 115.310 4.366 -4.314 1.00 0.00 C ATOM 165 NE ARG A 10 116.144 4.771 -5.443 1.00 0.00 N ATOM 166 CZ ARG A 10 117.179 5.597 -5.334 1.00 0.00 C ATOM 167 NH1 ARG A 10 117.504 6.103 -4.153 1.00 0.00 N ATOM 168 NH2 ARG A 10 117.890 5.917 -6.407 1.00 0.00 N ATOM 0 H ARG A 10 118.848 1.343 -4.785 1.00 0.00 H new ATOM 0 HA ARG A 10 117.337 1.304 -2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 10 117.265 2.593 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.712 1.781 -5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 10 115.215 2.822 -2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 10 116.752 3.662 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 10 114.339 4.035 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 10 115.130 5.226 -3.669 1.00 0.00 H new ATOM 0 HE ARG A 10 115.919 4.399 -6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 10 116.959 5.858 -3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 10 118.299 6.737 -4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 10 117.642 5.529 -7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 10 118.684 6.551 -6.322 1.00 0.00 H new ATOM 182 N GLU A 11 115.630 -0.544 -4.752 1.00 0.00 N ATOM 183 CA GLU A 11 114.678 -1.644 -4.842 1.00 0.00 C ATOM 184 C GLU A 11 115.322 -2.964 -4.437 1.00 0.00 C ATOM 185 O GLU A 11 114.676 -3.821 -3.843 1.00 0.00 O ATOM 186 CB GLU A 11 114.118 -1.752 -6.263 1.00 0.00 C ATOM 187 CG GLU A 11 114.088 -0.430 -7.014 1.00 0.00 C ATOM 188 CD GLU A 11 113.442 0.685 -6.214 1.00 0.00 C ATOM 189 OE1 GLU A 11 113.516 0.643 -4.968 1.00 0.00 O ATOM 190 OE2 GLU A 11 112.862 1.601 -6.834 1.00 0.00 O ATOM 0 H GLU A 11 115.846 -0.097 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 11 113.861 -1.434 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 11 114.719 -2.466 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 11 113.106 -2.155 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 11 115.107 -0.142 -7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 11 113.545 -0.561 -7.950 1.00 0.00 H new ATOM 197 N CYS A 12 116.599 -3.118 -4.759 1.00 0.00 N ATOM 198 CA CYS A 12 117.336 -4.334 -4.432 1.00 0.00 C ATOM 199 C CYS A 12 117.423 -4.539 -2.923 1.00 0.00 C ATOM 200 O CYS A 12 117.523 -5.669 -2.441 1.00 0.00 O ATOM 201 CB CYS A 12 118.743 -4.275 -5.030 1.00 0.00 C ATOM 202 SG CYS A 12 119.533 -5.891 -5.219 1.00 0.00 S ATOM 0 H CYS A 12 117.150 -2.413 -5.249 1.00 0.00 H new ATOM 0 HA CYS A 12 116.796 -5.178 -4.861 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.692 -3.791 -6.005 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.370 -3.648 -4.396 1.00 0.00 H new ATOM 0 HG CYS A 12 120.641 -5.757 -5.885 1.00 0.00 H new ATOM 208 N ALA A 13 117.409 -3.437 -2.188 1.00 0.00 N ATOM 209 CA ALA A 13 117.521 -3.477 -0.736 1.00 0.00 C ATOM 210 C ALA A 13 116.402 -4.291 -0.084 1.00 0.00 C ATOM 211 O ALA A 13 116.610 -4.924 0.950 1.00 0.00 O ATOM 212 CB ALA A 13 117.522 -2.058 -0.194 1.00 0.00 C ATOM 0 H ALA A 13 117.321 -2.498 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 13 118.458 -3.975 -0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 13 117.606 -2.084 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 13 118.367 -1.510 -0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 13 116.594 -1.561 -0.475 1.00 0.00 H new ATOM 218 N VAL A 14 115.218 -4.296 -0.677 1.00 0.00 N ATOM 219 CA VAL A 14 114.115 -5.055 -0.101 1.00 0.00 C ATOM 220 C VAL A 14 114.495 -6.524 0.046 1.00 0.00 C ATOM 221 O VAL A 14 114.191 -7.156 1.057 1.00 0.00 O ATOM 222 CB VAL A 14 112.845 -4.950 -0.958 1.00 0.00 C ATOM 223 CG1 VAL A 14 113.162 -5.293 -2.398 1.00 0.00 C ATOM 224 CG2 VAL A 14 111.746 -5.851 -0.410 1.00 0.00 C ATOM 0 H VAL A 14 114.997 -3.796 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 14 113.910 -4.626 0.880 1.00 0.00 H new ATOM 0 HB VAL A 14 112.480 -3.924 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.256 -5.216 -2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 14 113.911 -4.600 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.548 -6.311 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.856 -5.760 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 14 112.088 -6.886 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 14 111.506 -5.553 0.611 1.00 0.00 H new ATOM 234 N GLN A 15 115.178 -7.054 -0.961 1.00 0.00 N ATOM 235 CA GLN A 15 115.614 -8.443 -0.937 1.00 0.00 C ATOM 236 C GLN A 15 116.486 -8.681 0.281 1.00 0.00 C ATOM 237 O GLN A 15 116.346 -9.687 0.977 1.00 0.00 O ATOM 238 CB GLN A 15 116.388 -8.787 -2.212 1.00 0.00 C ATOM 239 CG GLN A 15 115.810 -8.155 -3.467 1.00 0.00 C ATOM 240 CD GLN A 15 115.380 -9.184 -4.493 1.00 0.00 C ATOM 241 OE1 GLN A 15 116.160 -10.053 -4.883 1.00 0.00 O ATOM 242 NE2 GLN A 15 114.132 -9.090 -4.937 1.00 0.00 N ATOM 0 H GLN A 15 115.441 -6.543 -1.803 1.00 0.00 H new ATOM 0 HA GLN A 15 114.736 -9.086 -0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 15 117.423 -8.464 -2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.404 -9.870 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.954 -7.537 -3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.553 -7.493 -3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.520 -8.353 -4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 15 113.786 -9.754 -5.629 1.00 0.00 H new ATOM 251 N ALA A 16 117.368 -7.728 0.549 1.00 0.00 N ATOM 252 CA ALA A 16 118.246 -7.810 1.699 1.00 0.00 C ATOM 253 C ALA A 16 117.429 -7.675 2.968 1.00 0.00 C ATOM 254 O ALA A 16 117.714 -8.320 3.978 1.00 0.00 O ATOM 255 CB ALA A 16 119.312 -6.740 1.617 1.00 0.00 C ATOM 0 H ALA A 16 117.492 -6.889 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 16 118.746 -8.779 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 16 119.966 -6.811 2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 16 119.899 -6.880 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 16 118.841 -5.757 1.597 1.00 0.00 H new ATOM 261 N LEU A 17 116.381 -6.859 2.898 1.00 0.00 N ATOM 262 CA LEU A 17 115.497 -6.678 4.032 1.00 0.00 C ATOM 263 C LEU A 17 114.876 -8.021 4.376 1.00 0.00 C ATOM 264 O LEU A 17 114.602 -8.319 5.539 1.00 0.00 O ATOM 265 CB LEU A 17 114.406 -5.654 3.712 1.00 0.00 C ATOM 266 CG LEU A 17 114.599 -4.280 4.356 1.00 0.00 C ATOM 267 CD1 LEU A 17 113.328 -3.454 4.242 1.00 0.00 C ATOM 268 CD2 LEU A 17 115.012 -4.428 5.812 1.00 0.00 C ATOM 0 H LEU A 17 116.129 -6.318 2.071 1.00 0.00 H new ATOM 0 HA LEU A 17 116.066 -6.301 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.354 -5.527 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.445 -6.057 4.033 1.00 0.00 H new ATOM 0 HG LEU A 17 115.395 -3.759 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 17 113.484 -2.480 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 17 113.075 -3.319 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 17 112.512 -3.970 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 17 115.145 -3.441 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 17 114.238 -4.969 6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 17 115.950 -4.981 5.870 1.00 0.00 H new ATOM 280 N TYR A 18 114.679 -8.840 3.344 1.00 0.00 N ATOM 281 CA TYR A 18 114.116 -10.172 3.524 1.00 0.00 C ATOM 282 C TYR A 18 115.126 -11.079 4.221 1.00 0.00 C ATOM 283 O TYR A 18 114.761 -11.919 5.044 1.00 0.00 O ATOM 284 CB TYR A 18 113.716 -10.770 2.174 1.00 0.00 C ATOM 285 CG TYR A 18 112.808 -11.974 2.289 1.00 0.00 C ATOM 286 CD1 TYR A 18 112.359 -12.413 3.528 1.00 0.00 C ATOM 287 CD2 TYR A 18 112.401 -12.671 1.159 1.00 0.00 C ATOM 288 CE1 TYR A 18 111.529 -13.513 3.637 1.00 0.00 C ATOM 289 CE2 TYR A 18 111.571 -13.772 1.260 1.00 0.00 C ATOM 290 CZ TYR A 18 111.139 -14.188 2.501 1.00 0.00 C ATOM 291 OH TYR A 18 110.313 -15.284 2.606 1.00 0.00 O ATOM 0 H TYR A 18 114.901 -8.603 2.377 1.00 0.00 H new ATOM 0 HA TYR A 18 113.225 -10.091 4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 18 113.216 -10.004 1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.617 -11.056 1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 18 112.663 -11.886 4.421 1.00 0.00 H new ATOM 0 HD2 TYR A 18 112.738 -12.348 0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 18 111.188 -13.842 4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 18 111.263 -14.303 0.372 1.00 0.00 H new ATOM 0 HH TYR A 18 110.132 -15.644 1.713 1.00 0.00 H new ATOM 301 N SER A 19 116.400 -10.896 3.883 1.00 0.00 N ATOM 302 CA SER A 19 117.478 -11.686 4.470 1.00 0.00 C ATOM 303 C SER A 19 117.601 -11.409 5.965 1.00 0.00 C ATOM 304 O SER A 19 117.974 -12.287 6.742 1.00 0.00 O ATOM 305 CB SER A 19 118.804 -11.378 3.772 1.00 0.00 C ATOM 306 OG SER A 19 118.922 -12.103 2.560 1.00 0.00 O ATOM 0 H SER A 19 116.712 -10.204 3.202 1.00 0.00 H new ATOM 0 HA SER A 19 117.240 -12.741 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.872 -10.309 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 19 119.634 -11.630 4.433 1.00 0.00 H new ATOM 0 HG SER A 19 119.777 -11.888 2.132 1.00 0.00 H new ATOM 312 N TRP A 20 117.288 -10.180 6.357 1.00 0.00 N ATOM 313 CA TRP A 20 117.364 -9.776 7.757 1.00 0.00 C ATOM 314 C TRP A 20 116.438 -10.628 8.617 1.00 0.00 C ATOM 315 O TRP A 20 116.818 -11.082 9.696 1.00 0.00 O ATOM 316 CB TRP A 20 116.974 -8.303 7.889 1.00 0.00 C ATOM 317 CG TRP A 20 117.613 -7.611 9.054 1.00 0.00 C ATOM 318 CD1 TRP A 20 118.716 -8.015 9.748 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.181 -6.387 9.659 1.00 0.00 C ATOM 320 NE1 TRP A 20 118.999 -7.115 10.748 1.00 0.00 N ATOM 321 CE2 TRP A 20 118.070 -6.106 10.713 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.129 -5.501 9.409 1.00 0.00 C ATOM 323 CZ2 TRP A 20 117.937 -4.973 11.517 1.00 0.00 C ATOM 324 CZ3 TRP A 20 115.999 -4.379 10.207 1.00 0.00 C ATOM 325 CH2 TRP A 20 116.899 -4.124 11.248 1.00 0.00 C ATOM 0 H TRP A 20 116.978 -9.443 5.723 1.00 0.00 H new ATOM 0 HA TRP A 20 118.388 -9.918 8.103 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.249 -7.780 6.973 1.00 0.00 H new ATOM 0 HB3 TRP A 20 115.891 -8.231 7.985 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.284 -8.910 9.542 1.00 0.00 H new ATOM 0 HE1 TRP A 20 119.773 -7.186 11.408 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.430 -5.689 8.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.629 -4.774 12.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.189 -3.688 10.024 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.771 -3.238 11.852 1.00 0.00 H new ATOM 336 N GLN A 21 115.221 -10.839 8.131 1.00 0.00 N ATOM 337 CA GLN A 21 114.234 -11.633 8.851 1.00 0.00 C ATOM 338 C GLN A 21 114.718 -13.067 9.054 1.00 0.00 C ATOM 339 O GLN A 21 114.681 -13.593 10.166 1.00 0.00 O ATOM 340 CB GLN A 21 112.909 -11.634 8.089 1.00 0.00 C ATOM 341 CG GLN A 21 111.817 -12.444 8.765 1.00 0.00 C ATOM 342 CD GLN A 21 111.164 -13.439 7.825 1.00 0.00 C ATOM 343 OE1 GLN A 21 111.815 -13.993 6.940 1.00 0.00 O ATOM 344 NE2 GLN A 21 109.869 -13.668 8.012 1.00 0.00 N ATOM 0 H GLN A 21 114.893 -10.470 7.238 1.00 0.00 H new ATOM 0 HA GLN A 21 114.088 -11.182 9.833 1.00 0.00 H new ATOM 0 HB2 GLN A 21 112.567 -10.606 7.972 1.00 0.00 H new ATOM 0 HB3 GLN A 21 113.076 -12.031 7.088 1.00 0.00 H new ATOM 0 HG2 GLN A 21 112.239 -12.977 9.617 1.00 0.00 H new ATOM 0 HG3 GLN A 21 111.058 -11.768 9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 21 109.368 -13.186 8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 21 109.375 -14.326 7.409 1.00 0.00 H new ATOM 353 N LEU A 22 115.165 -13.697 7.971 1.00 0.00 N ATOM 354 CA LEU A 22 115.647 -15.073 8.031 1.00 0.00 C ATOM 355 C LEU A 22 117.064 -15.147 8.593 1.00 0.00 C ATOM 356 O LEU A 22 117.345 -15.940 9.491 1.00 0.00 O ATOM 357 CB LEU A 22 115.606 -15.708 6.640 1.00 0.00 C ATOM 358 CG LEU A 22 114.211 -15.826 6.023 1.00 0.00 C ATOM 359 CD1 LEU A 22 114.203 -16.873 4.920 1.00 0.00 C ATOM 360 CD2 LEU A 22 113.183 -16.167 7.091 1.00 0.00 C ATOM 0 H LEU A 22 115.203 -13.277 7.042 1.00 0.00 H new ATOM 0 HA LEU A 22 114.989 -15.625 8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 22 116.234 -15.121 5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 22 116.046 -16.703 6.699 1.00 0.00 H new ATOM 0 HG LEU A 22 113.945 -14.864 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 22 113.203 -16.943 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 22 114.911 -16.587 4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 22 114.490 -17.840 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 22 112.197 -16.247 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 22 113.445 -17.116 7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 22 113.170 -15.382 7.847 1.00 0.00 H new ATOM 372 N SER A 23 117.956 -14.322 8.054 1.00 0.00 N ATOM 373 CA SER A 23 119.347 -14.303 8.498 1.00 0.00 C ATOM 374 C SER A 23 119.478 -13.662 9.875 1.00 0.00 C ATOM 375 O SER A 23 120.128 -14.210 10.766 1.00 0.00 O ATOM 376 CB SER A 23 120.214 -13.549 7.488 1.00 0.00 C ATOM 377 OG SER A 23 121.592 -13.732 7.763 1.00 0.00 O ATOM 0 H SER A 23 117.742 -13.658 7.310 1.00 0.00 H new ATOM 0 HA SER A 23 119.691 -15.335 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.991 -13.899 6.480 1.00 0.00 H new ATOM 0 HB3 SER A 23 119.972 -12.487 7.517 1.00 0.00 H new ATOM 0 HG SER A 23 122.125 -13.242 7.103 1.00 0.00 H new ATOM 383 N GLN A 24 118.858 -12.500 10.045 1.00 0.00 N ATOM 384 CA GLN A 24 118.908 -11.786 11.316 1.00 0.00 C ATOM 385 C GLN A 24 120.323 -11.302 11.621 1.00 0.00 C ATOM 386 O GLN A 24 120.598 -10.813 12.716 1.00 0.00 O ATOM 387 CB GLN A 24 118.410 -12.686 12.448 1.00 0.00 C ATOM 388 CG GLN A 24 117.071 -13.344 12.159 1.00 0.00 C ATOM 389 CD GLN A 24 116.459 -13.985 13.390 1.00 0.00 C ATOM 390 OE1 GLN A 24 116.890 -15.051 13.828 1.00 0.00 O ATOM 391 NE2 GLN A 24 115.448 -13.335 13.955 1.00 0.00 N ATOM 0 H GLN A 24 118.315 -12.032 9.319 1.00 0.00 H new ATOM 0 HA GLN A 24 118.258 -10.914 11.237 1.00 0.00 H new ATOM 0 HB2 GLN A 24 119.153 -13.461 12.638 1.00 0.00 H new ATOM 0 HB3 GLN A 24 118.326 -12.095 13.360 1.00 0.00 H new ATOM 0 HG2 GLN A 24 116.382 -12.599 11.761 1.00 0.00 H new ATOM 0 HG3 GLN A 24 117.202 -14.102 11.386 1.00 0.00 H new ATOM 0 HE21 GLN A 24 115.123 -12.453 13.558 1.00 0.00 H new ATOM 0 HE22 GLN A 24 114.997 -13.717 14.786 1.00 0.00 H new ATOM 400 N ASN A 25 121.218 -11.439 10.646 1.00 0.00 N ATOM 401 CA ASN A 25 122.603 -11.011 10.816 1.00 0.00 C ATOM 402 C ASN A 25 122.669 -9.546 11.236 1.00 0.00 C ATOM 403 O ASN A 25 121.691 -8.995 11.740 1.00 0.00 O ATOM 404 CB ASN A 25 123.386 -11.218 9.518 1.00 0.00 C ATOM 405 CG ASN A 25 124.807 -11.684 9.767 1.00 0.00 C ATOM 406 OD1 ASN A 25 125.054 -12.527 10.630 1.00 0.00 O ATOM 407 ND2 ASN A 25 125.751 -11.136 9.011 1.00 0.00 N ATOM 0 H ASN A 25 121.009 -11.842 9.732 1.00 0.00 H new ATOM 0 HA ASN A 25 123.052 -11.618 11.602 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.870 -11.951 8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 25 123.406 -10.284 8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 25 126.726 -11.410 9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 25 125.501 -10.441 8.307 1.00 0.00 H new ATOM 414 N ASP A 26 123.823 -8.919 11.023 1.00 0.00 N ATOM 415 CA ASP A 26 124.002 -7.516 11.380 1.00 0.00 C ATOM 416 C ASP A 26 122.765 -6.706 11.000 1.00 0.00 C ATOM 417 O ASP A 26 121.788 -6.672 11.748 1.00 0.00 O ATOM 418 CB ASP A 26 125.244 -6.944 10.692 1.00 0.00 C ATOM 419 CG ASP A 26 126.529 -7.556 11.215 1.00 0.00 C ATOM 420 OD1 ASP A 26 126.982 -7.145 12.304 1.00 0.00 O ATOM 421 OD2 ASP A 26 127.081 -8.448 10.537 1.00 0.00 O ATOM 0 H ASP A 26 124.644 -9.358 10.607 1.00 0.00 H new ATOM 0 HA ASP A 26 124.141 -7.450 12.459 1.00 0.00 H new ATOM 0 HB2 ASP A 26 125.173 -7.117 9.618 1.00 0.00 H new ATOM 0 HB3 ASP A 26 125.273 -5.864 10.839 1.00 0.00 H new ATOM 426 N ILE A 27 122.803 -6.069 9.830 1.00 0.00 N ATOM 427 CA ILE A 27 121.672 -5.280 9.354 1.00 0.00 C ATOM 428 C ILE A 27 122.110 -4.195 8.378 1.00 0.00 C ATOM 429 O ILE A 27 121.744 -4.223 7.203 1.00 0.00 O ATOM 430 CB ILE A 27 120.904 -4.619 10.516 1.00 0.00 C ATOM 431 CG1 ILE A 27 120.027 -3.477 9.998 1.00 0.00 C ATOM 432 CG2 ILE A 27 121.875 -4.107 11.568 1.00 0.00 C ATOM 433 CD1 ILE A 27 119.196 -3.848 8.790 1.00 0.00 C ATOM 0 H ILE A 27 123.603 -6.085 9.197 1.00 0.00 H new ATOM 0 HA ILE A 27 121.013 -5.980 8.841 1.00 0.00 H new ATOM 0 HB ILE A 27 120.259 -5.368 10.974 1.00 0.00 H new ATOM 0 HG12 ILE A 27 119.363 -3.149 10.798 1.00 0.00 H new ATOM 0 HG13 ILE A 27 120.663 -2.629 9.744 1.00 0.00 H new ATOM 0 HG21 ILE A 27 121.318 -3.643 12.382 1.00 0.00 H new ATOM 0 HG22 ILE A 27 122.461 -4.939 11.958 1.00 0.00 H new ATOM 0 HG23 ILE A 27 122.543 -3.371 11.120 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.601 -2.989 8.480 1.00 0.00 H new ATOM 0 HD12 ILE A 27 119.854 -4.147 7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.534 -4.675 9.044 1.00 0.00 H new ATOM 445 N ALA A 28 122.888 -3.237 8.859 1.00 0.00 N ATOM 446 CA ALA A 28 123.355 -2.162 8.001 1.00 0.00 C ATOM 447 C ALA A 28 124.217 -2.720 6.879 1.00 0.00 C ATOM 448 O ALA A 28 123.970 -2.466 5.700 1.00 0.00 O ATOM 449 CB ALA A 28 124.133 -1.136 8.811 1.00 0.00 C ATOM 0 H ALA A 28 123.205 -3.183 9.827 1.00 0.00 H new ATOM 0 HA ALA A 28 122.490 -1.667 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.476 -0.337 8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.488 -0.718 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 28 124.993 -1.617 9.277 1.00 0.00 H new ATOM 455 N ASP A 29 125.228 -3.485 7.262 1.00 0.00 N ATOM 456 CA ASP A 29 126.140 -4.095 6.307 1.00 0.00 C ATOM 457 C ASP A 29 125.510 -5.280 5.572 1.00 0.00 C ATOM 458 O ASP A 29 125.790 -5.499 4.396 1.00 0.00 O ATOM 459 CB ASP A 29 127.413 -4.552 7.020 1.00 0.00 C ATOM 460 CG ASP A 29 127.170 -5.738 7.932 1.00 0.00 C ATOM 461 OD1 ASP A 29 127.168 -6.882 7.431 1.00 0.00 O ATOM 462 OD2 ASP A 29 126.982 -5.523 9.148 1.00 0.00 O ATOM 0 H ASP A 29 125.438 -3.699 8.237 1.00 0.00 H new ATOM 0 HA ASP A 29 126.379 -3.336 5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 29 128.167 -4.816 6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.816 -3.725 7.604 1.00 0.00 H new ATOM 467 N VAL A 30 124.701 -6.070 6.279 1.00 0.00 N ATOM 468 CA VAL A 30 124.095 -7.266 5.687 1.00 0.00 C ATOM 469 C VAL A 30 123.210 -6.975 4.481 1.00 0.00 C ATOM 470 O VAL A 30 123.381 -7.581 3.422 1.00 0.00 O ATOM 471 CB VAL A 30 123.234 -8.045 6.709 1.00 0.00 C ATOM 472 CG1 VAL A 30 122.061 -7.209 7.178 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.741 -9.351 6.099 1.00 0.00 C ATOM 0 H VAL A 30 124.451 -5.907 7.254 1.00 0.00 H new ATOM 0 HA VAL A 30 124.950 -7.860 5.364 1.00 0.00 H new ATOM 0 HB VAL A 30 123.857 -8.273 7.574 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.472 -7.779 7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.429 -6.299 7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.437 -6.946 6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.137 -9.888 6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.138 -9.136 5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.595 -9.965 5.813 1.00 0.00 H new ATOM 483 N GLU A 31 122.247 -6.081 4.639 1.00 0.00 N ATOM 484 CA GLU A 31 121.322 -5.785 3.557 1.00 0.00 C ATOM 485 C GLU A 31 122.042 -5.377 2.278 1.00 0.00 C ATOM 486 O GLU A 31 121.815 -5.943 1.210 1.00 0.00 O ATOM 487 CB GLU A 31 120.345 -4.686 3.988 1.00 0.00 C ATOM 488 CG GLU A 31 120.307 -3.480 3.060 1.00 0.00 C ATOM 489 CD GLU A 31 119.838 -3.821 1.666 1.00 0.00 C ATOM 490 OE1 GLU A 31 118.683 -4.256 1.530 1.00 0.00 O ATOM 491 OE2 GLU A 31 120.626 -3.653 0.712 1.00 0.00 O ATOM 0 H GLU A 31 122.086 -5.553 5.497 1.00 0.00 H new ATOM 0 HA GLU A 31 120.770 -6.700 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.344 -5.112 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.613 -4.350 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 31 119.647 -2.723 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 31 121.303 -3.040 3.005 1.00 0.00 H new ATOM 498 N TYR A 32 122.889 -4.381 2.386 1.00 0.00 N ATOM 499 CA TYR A 32 123.619 -3.877 1.240 1.00 0.00 C ATOM 500 C TYR A 32 124.682 -4.854 0.744 1.00 0.00 C ATOM 501 O TYR A 32 125.081 -4.798 -0.419 1.00 0.00 O ATOM 502 CB TYR A 32 124.191 -2.505 1.561 1.00 0.00 C ATOM 503 CG TYR A 32 123.097 -1.483 1.783 1.00 0.00 C ATOM 504 CD1 TYR A 32 122.479 -0.853 0.710 1.00 0.00 C ATOM 505 CD2 TYR A 32 122.667 -1.162 3.062 1.00 0.00 C ATOM 506 CE1 TYR A 32 121.469 0.070 0.911 1.00 0.00 C ATOM 507 CE2 TYR A 32 121.663 -0.239 3.265 1.00 0.00 C ATOM 508 CZ TYR A 32 121.068 0.374 2.189 1.00 0.00 C ATOM 509 OH TYR A 32 120.063 1.291 2.392 1.00 0.00 O ATOM 0 H TYR A 32 123.093 -3.899 3.261 1.00 0.00 H new ATOM 0 HA TYR A 32 122.921 -3.772 0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 32 124.815 -2.570 2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 32 124.835 -2.178 0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 32 122.792 -1.088 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 32 123.126 -1.643 3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 32 120.997 0.550 0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 32 121.345 0.002 4.269 1.00 0.00 H new ATOM 0 HH TYR A 32 119.210 0.912 2.094 1.00 0.00 H new ATOM 519 N GLN A 33 125.145 -5.750 1.615 1.00 0.00 N ATOM 520 CA GLN A 33 126.163 -6.719 1.217 1.00 0.00 C ATOM 521 C GLN A 33 125.648 -7.596 0.081 1.00 0.00 C ATOM 522 O GLN A 33 126.420 -8.061 -0.757 1.00 0.00 O ATOM 523 CB GLN A 33 126.580 -7.591 2.400 1.00 0.00 C ATOM 524 CG GLN A 33 125.600 -8.713 2.705 1.00 0.00 C ATOM 525 CD GLN A 33 126.165 -10.082 2.383 1.00 0.00 C ATOM 526 OE1 GLN A 33 126.834 -10.268 1.367 1.00 0.00 O ATOM 527 NE2 GLN A 33 125.897 -11.052 3.251 1.00 0.00 N ATOM 0 H GLN A 33 124.837 -5.825 2.585 1.00 0.00 H new ATOM 0 HA GLN A 33 127.036 -6.166 0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 33 127.560 -8.022 2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 33 126.686 -6.962 3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 33 125.327 -8.675 3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 33 124.685 -8.557 2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 33 125.338 -10.854 4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 33 126.250 -11.995 3.087 1.00 0.00 H new ATOM 536 N PHE A 34 124.337 -7.809 0.056 1.00 0.00 N ATOM 537 CA PHE A 34 123.713 -8.620 -0.981 1.00 0.00 C ATOM 538 C PHE A 34 124.036 -8.057 -2.358 1.00 0.00 C ATOM 539 O PHE A 34 124.284 -8.801 -3.307 1.00 0.00 O ATOM 540 CB PHE A 34 122.198 -8.654 -0.776 1.00 0.00 C ATOM 541 CG PHE A 34 121.444 -9.277 -1.918 1.00 0.00 C ATOM 542 CD1 PHE A 34 121.413 -8.663 -3.160 1.00 0.00 C ATOM 543 CD2 PHE A 34 120.765 -10.472 -1.748 1.00 0.00 C ATOM 544 CE1 PHE A 34 120.718 -9.230 -4.211 1.00 0.00 C ATOM 545 CE2 PHE A 34 120.068 -11.044 -2.796 1.00 0.00 C ATOM 546 CZ PHE A 34 120.045 -10.422 -4.029 1.00 0.00 C ATOM 0 H PHE A 34 123.686 -7.430 0.743 1.00 0.00 H new ATOM 0 HA PHE A 34 124.106 -9.635 -0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 34 121.977 -9.206 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 34 121.838 -7.636 -0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 34 121.938 -7.731 -3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 34 120.780 -10.963 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 34 120.701 -8.741 -5.174 1.00 0.00 H new ATOM 0 HE2 PHE A 34 119.542 -11.976 -2.651 1.00 0.00 H new ATOM 0 HZ PHE A 34 119.502 -10.867 -4.849 1.00 0.00 H new ATOM 556 N LEU A 35 124.033 -6.734 -2.452 1.00 0.00 N ATOM 557 CA LEU A 35 124.326 -6.053 -3.707 1.00 0.00 C ATOM 558 C LEU A 35 125.735 -6.386 -4.189 1.00 0.00 C ATOM 559 O LEU A 35 125.935 -6.762 -5.344 1.00 0.00 O ATOM 560 CB LEU A 35 124.179 -4.539 -3.537 1.00 0.00 C ATOM 561 CG LEU A 35 122.911 -4.088 -2.810 1.00 0.00 C ATOM 562 CD1 LEU A 35 123.113 -2.714 -2.189 1.00 0.00 C ATOM 563 CD2 LEU A 35 121.728 -4.077 -3.765 1.00 0.00 C ATOM 0 H LEU A 35 123.830 -6.109 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 35 123.612 -6.399 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 35 125.045 -4.165 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 35 124.199 -4.075 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 35 122.700 -4.797 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 35 122.201 -2.409 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 35 123.935 -2.755 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 35 123.348 -1.992 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 35 120.833 -3.754 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 35 121.930 -3.389 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 35 121.572 -5.080 -4.162 1.00 0.00 H new ATOM 575 N ALA A 36 126.708 -6.244 -3.295 1.00 0.00 N ATOM 576 CA ALA A 36 128.099 -6.529 -3.627 1.00 0.00 C ATOM 577 C ALA A 36 128.301 -8.011 -3.921 1.00 0.00 C ATOM 578 O ALA A 36 129.094 -8.380 -4.787 1.00 0.00 O ATOM 579 CB ALA A 36 129.012 -6.085 -2.494 1.00 0.00 C ATOM 0 H ALA A 36 126.559 -5.933 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 36 128.354 -5.969 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 36 130.048 -6.303 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 36 128.897 -5.013 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 36 128.747 -6.620 -1.582 1.00 0.00 H new ATOM 707 N VAL A 45 128.111 0.523 -3.811 1.00 0.00 N ATOM 708 CA VAL A 45 126.983 0.728 -2.910 1.00 0.00 C ATOM 709 C VAL A 45 127.447 0.870 -1.468 1.00 0.00 C ATOM 710 O VAL A 45 126.651 0.755 -0.536 1.00 0.00 O ATOM 711 CB VAL A 45 125.985 -0.438 -2.982 1.00 0.00 C ATOM 712 CG1 VAL A 45 124.593 0.068 -3.327 1.00 0.00 C ATOM 713 CG2 VAL A 45 126.449 -1.480 -3.987 1.00 0.00 C ATOM 0 HA VAL A 45 126.494 1.647 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 45 125.939 -0.912 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 45 123.901 -0.773 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.261 0.769 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 45 124.618 0.571 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 45 125.729 -2.297 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 45 126.529 -1.024 -4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 45 127.422 -1.867 -3.686 1.00 0.00 H new ATOM 723 N LEU A 46 128.736 1.119 -1.288 1.00 0.00 N ATOM 724 CA LEU A 46 129.297 1.267 0.048 1.00 0.00 C ATOM 725 C LEU A 46 128.547 2.347 0.815 1.00 0.00 C ATOM 726 O LEU A 46 128.211 2.170 1.986 1.00 0.00 O ATOM 727 CB LEU A 46 130.784 1.618 -0.033 1.00 0.00 C ATOM 728 CG LEU A 46 131.686 0.497 -0.555 1.00 0.00 C ATOM 729 CD1 LEU A 46 133.095 1.015 -0.797 1.00 0.00 C ATOM 730 CD2 LEU A 46 131.705 -0.668 0.423 1.00 0.00 C ATOM 0 H LEU A 46 129.411 1.222 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 46 129.191 0.319 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 46 130.902 2.489 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 46 131.128 1.908 0.960 1.00 0.00 H new ATOM 0 HG LEU A 46 131.283 0.143 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 46 133.722 0.204 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 46 133.066 1.818 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 46 133.508 1.395 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 46 132.351 -1.457 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 46 132.084 -0.328 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 46 130.694 -1.055 0.547 1.00 0.00 H new ATOM 742 N TYR A 47 128.267 3.456 0.143 1.00 0.00 N ATOM 743 CA TYR A 47 127.533 4.548 0.763 1.00 0.00 C ATOM 744 C TYR A 47 126.123 4.093 1.118 1.00 0.00 C ATOM 745 O TYR A 47 125.586 4.453 2.167 1.00 0.00 O ATOM 746 CB TYR A 47 127.476 5.756 -0.175 1.00 0.00 C ATOM 747 CG TYR A 47 127.961 7.040 0.459 1.00 0.00 C ATOM 748 CD1 TYR A 47 127.710 7.313 1.798 1.00 0.00 C ATOM 749 CD2 TYR A 47 128.669 7.978 -0.281 1.00 0.00 C ATOM 750 CE1 TYR A 47 128.151 8.486 2.381 1.00 0.00 C ATOM 751 CE2 TYR A 47 129.114 9.153 0.296 1.00 0.00 C ATOM 752 CZ TYR A 47 128.852 9.402 1.626 1.00 0.00 C ATOM 753 OH TYR A 47 129.294 10.570 2.204 1.00 0.00 O ATOM 0 H TYR A 47 128.536 3.622 -0.827 1.00 0.00 H new ATOM 0 HA TYR A 47 128.052 4.842 1.675 1.00 0.00 H new ATOM 0 HB2 TYR A 47 128.078 5.547 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 47 126.449 5.894 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 47 127.162 6.597 2.393 1.00 0.00 H new ATOM 0 HD2 TYR A 47 128.875 7.787 -1.324 1.00 0.00 H new ATOM 0 HE1 TYR A 47 127.947 8.684 3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 47 129.664 9.872 -0.293 1.00 0.00 H new ATOM 0 HH TYR A 47 129.771 11.105 1.536 1.00 0.00 H new ATOM 763 N PHE A 48 125.535 3.281 0.241 1.00 0.00 N ATOM 764 CA PHE A 48 124.192 2.762 0.464 1.00 0.00 C ATOM 765 C PHE A 48 124.145 1.951 1.753 1.00 0.00 C ATOM 766 O PHE A 48 123.115 1.887 2.418 1.00 0.00 O ATOM 767 CB PHE A 48 123.713 1.922 -0.729 1.00 0.00 C ATOM 768 CG PHE A 48 122.535 2.533 -1.437 1.00 0.00 C ATOM 769 CD1 PHE A 48 122.500 3.898 -1.675 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.462 1.755 -1.860 1.00 0.00 C ATOM 771 CE1 PHE A 48 121.424 4.479 -2.317 1.00 0.00 C ATOM 772 CE2 PHE A 48 120.385 2.335 -2.501 1.00 0.00 C ATOM 773 CZ PHE A 48 120.365 3.696 -2.729 1.00 0.00 C ATOM 0 H PHE A 48 125.969 2.970 -0.628 1.00 0.00 H new ATOM 0 HA PHE A 48 123.513 3.609 0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.534 1.802 -1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.444 0.925 -0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 48 123.326 4.516 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.471 0.689 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 48 121.411 5.544 -2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.557 1.722 -2.825 1.00 0.00 H new ATOM 0 HZ PHE A 48 119.521 4.148 -3.229 1.00 0.00 H new ATOM 783 N ARG A 49 125.267 1.330 2.102 1.00 0.00 N ATOM 784 CA ARG A 49 125.339 0.524 3.314 1.00 0.00 C ATOM 785 C ARG A 49 124.903 1.332 4.537 1.00 0.00 C ATOM 786 O ARG A 49 124.144 0.846 5.380 1.00 0.00 O ATOM 787 CB ARG A 49 126.764 0.002 3.517 1.00 0.00 C ATOM 788 CG ARG A 49 127.220 -0.963 2.431 1.00 0.00 C ATOM 789 CD ARG A 49 127.272 -2.397 2.938 1.00 0.00 C ATOM 790 NE ARG A 49 128.617 -2.960 2.850 1.00 0.00 N ATOM 791 CZ ARG A 49 129.643 -2.535 3.582 1.00 0.00 C ATOM 792 NH1 ARG A 49 129.478 -1.547 4.451 1.00 0.00 N ATOM 793 NH2 ARG A 49 130.835 -3.099 3.445 1.00 0.00 N ATOM 0 H ARG A 49 126.134 1.369 1.566 1.00 0.00 H new ATOM 0 HA ARG A 49 124.659 -0.320 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 49 127.450 0.848 3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 49 126.825 -0.497 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 49 126.540 -0.902 1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 49 128.206 -0.668 2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 49 126.933 -2.428 3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 49 126.583 -3.012 2.359 1.00 0.00 H new ATOM 0 HE ARG A 49 128.778 -3.721 2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 49 128.562 -1.111 4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 49 130.267 -1.223 5.011 1.00 0.00 H new ATOM 0 HH21 ARG A 49 130.966 -3.859 2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 49 131.621 -2.772 4.007 1.00 0.00 H new ATOM 807 N GLU A 50 125.381 2.568 4.623 1.00 0.00 N ATOM 808 CA GLU A 50 125.052 3.452 5.739 1.00 0.00 C ATOM 809 C GLU A 50 123.548 3.707 5.860 1.00 0.00 C ATOM 810 O GLU A 50 123.044 3.972 6.951 1.00 0.00 O ATOM 811 CB GLU A 50 125.788 4.784 5.586 1.00 0.00 C ATOM 812 CG GLU A 50 127.223 4.635 5.106 1.00 0.00 C ATOM 813 CD GLU A 50 127.992 3.587 5.886 1.00 0.00 C ATOM 814 OE1 GLU A 50 128.073 3.710 7.126 1.00 0.00 O ATOM 815 OE2 GLU A 50 128.514 2.643 5.256 1.00 0.00 O ATOM 0 H GLU A 50 126.002 2.984 3.929 1.00 0.00 H new ATOM 0 HA GLU A 50 125.373 2.949 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 50 125.242 5.413 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.786 5.303 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 50 127.223 4.369 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.733 5.594 5.193 1.00 0.00 H new ATOM 822 N LEU A 51 122.843 3.665 4.735 1.00 0.00 N ATOM 823 CA LEU A 51 121.405 3.935 4.720 1.00 0.00 C ATOM 824 C LEU A 51 120.611 3.004 5.640 1.00 0.00 C ATOM 825 O LEU A 51 119.629 3.431 6.251 1.00 0.00 O ATOM 826 CB LEU A 51 120.861 3.826 3.293 1.00 0.00 C ATOM 827 CG LEU A 51 120.851 5.135 2.503 1.00 0.00 C ATOM 828 CD1 LEU A 51 120.831 4.857 1.008 1.00 0.00 C ATOM 829 CD2 LEU A 51 119.657 5.989 2.904 1.00 0.00 C ATOM 0 H LEU A 51 123.241 3.447 3.821 1.00 0.00 H new ATOM 0 HA LEU A 51 121.277 4.950 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.458 3.095 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 51 119.843 3.438 3.337 1.00 0.00 H new ATOM 0 HG LEU A 51 121.762 5.685 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 51 120.824 5.801 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 51 121.717 4.285 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 51 119.938 4.286 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 51 119.665 6.917 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.735 5.445 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 51 119.714 6.218 3.968 1.00 0.00 H new ATOM 841 N LEU A 52 121.017 1.742 5.745 1.00 0.00 N ATOM 842 CA LEU A 52 120.293 0.797 6.600 1.00 0.00 C ATOM 843 C LEU A 52 120.413 1.186 8.064 1.00 0.00 C ATOM 844 O LEU A 52 119.506 0.935 8.858 1.00 0.00 O ATOM 845 CB LEU A 52 120.791 -0.636 6.406 1.00 0.00 C ATOM 846 CG LEU A 52 120.031 -1.478 5.371 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.323 -2.647 6.035 1.00 0.00 C ATOM 848 CD2 LEU A 52 119.031 -0.635 4.593 1.00 0.00 C ATOM 0 H LEU A 52 121.826 1.352 5.261 1.00 0.00 H new ATOM 0 HA LEU A 52 119.245 0.839 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 52 121.841 -0.599 6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 52 120.745 -1.149 7.367 1.00 0.00 H new ATOM 0 HG LEU A 52 120.767 -1.868 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 52 118.792 -3.227 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.057 -3.282 6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.611 -2.271 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.511 -1.263 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.307 -0.200 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.557 0.163 4.069 1.00 0.00 H new ATOM 860 N ALA A 53 121.532 1.798 8.421 1.00 0.00 N ATOM 861 CA ALA A 53 121.752 2.212 9.795 1.00 0.00 C ATOM 862 C ALA A 53 120.633 3.135 10.255 1.00 0.00 C ATOM 863 O ALA A 53 120.230 3.104 11.418 1.00 0.00 O ATOM 864 CB ALA A 53 123.102 2.900 9.933 1.00 0.00 C ATOM 0 H ALA A 53 122.296 2.017 7.782 1.00 0.00 H new ATOM 0 HA ALA A 53 121.752 1.326 10.429 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.251 3.204 10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.893 2.210 9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.130 3.779 9.289 1.00 0.00 H new ATOM 870 N GLY A 54 120.113 3.939 9.331 1.00 0.00 N ATOM 871 CA GLY A 54 119.034 4.842 9.675 1.00 0.00 C ATOM 872 C GLY A 54 117.833 4.093 10.204 1.00 0.00 C ATOM 873 O GLY A 54 117.235 4.486 11.205 1.00 0.00 O ATOM 0 H GLY A 54 120.418 3.980 8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.379 5.554 10.424 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.746 5.419 8.796 1.00 0.00 H new ATOM 877 N VAL A 55 117.499 2.992 9.546 1.00 0.00 N ATOM 878 CA VAL A 55 116.383 2.162 9.965 1.00 0.00 C ATOM 879 C VAL A 55 116.704 1.490 11.290 1.00 0.00 C ATOM 880 O VAL A 55 115.823 1.258 12.117 1.00 0.00 O ATOM 881 CB VAL A 55 116.052 1.084 8.915 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.617 0.606 9.074 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.293 1.616 7.510 1.00 0.00 C ATOM 0 H VAL A 55 117.988 2.654 8.717 1.00 0.00 H new ATOM 0 HA VAL A 55 115.514 2.810 10.077 1.00 0.00 H new ATOM 0 HB VAL A 55 116.713 0.232 9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.402 -0.155 8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.483 0.183 10.069 1.00 0.00 H new ATOM 0 HG13 VAL A 55 113.937 1.447 8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.054 0.841 6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.659 2.485 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.339 1.903 7.404 1.00 0.00 H new ATOM 893 N ALA A 56 117.981 1.176 11.473 1.00 0.00 N ATOM 894 CA ALA A 56 118.450 0.524 12.684 1.00 0.00 C ATOM 895 C ALA A 56 118.406 1.472 13.877 1.00 0.00 C ATOM 896 O ALA A 56 118.393 1.035 15.028 1.00 0.00 O ATOM 897 CB ALA A 56 119.858 0.001 12.465 1.00 0.00 C ATOM 0 H ALA A 56 118.714 1.366 10.790 1.00 0.00 H new ATOM 0 HA ALA A 56 117.787 -0.312 12.909 1.00 0.00 H new ATOM 0 HB1 ALA A 56 120.210 -0.488 13.373 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.856 -0.716 11.644 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.520 0.831 12.220 1.00 0.00 H new ATOM 903 N THR A 57 118.384 2.771 13.597 1.00 0.00 N ATOM 904 CA THR A 57 118.344 3.777 14.651 1.00 0.00 C ATOM 905 C THR A 57 117.141 4.699 14.482 1.00 0.00 C ATOM 906 O THR A 57 116.949 5.632 15.261 1.00 0.00 O ATOM 907 CB THR A 57 119.633 4.599 14.651 1.00 0.00 C ATOM 908 OG1 THR A 57 119.868 5.163 13.373 1.00 0.00 O ATOM 909 CG2 THR A 57 120.857 3.792 15.029 1.00 0.00 C ATOM 0 H THR A 57 118.393 3.151 12.650 1.00 0.00 H new ATOM 0 HA THR A 57 118.250 3.259 15.606 1.00 0.00 H new ATOM 0 HB THR A 57 119.482 5.374 15.403 1.00 0.00 H new ATOM 0 HG1 THR A 57 120.023 4.446 12.723 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.737 4.435 15.010 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.728 3.383 16.031 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.988 2.976 14.319 1.00 0.00 H new ATOM 917 N ASN A 58 116.334 4.435 13.459 1.00 0.00 N ATOM 918 CA ASN A 58 115.154 5.245 13.192 1.00 0.00 C ATOM 919 C ASN A 58 114.022 4.396 12.624 1.00 0.00 C ATOM 920 O ASN A 58 113.169 4.896 11.892 1.00 0.00 O ATOM 921 CB ASN A 58 115.497 6.374 12.218 1.00 0.00 C ATOM 922 CG ASN A 58 116.686 7.193 12.678 1.00 0.00 C ATOM 923 OD1 ASN A 58 116.562 8.056 13.547 1.00 0.00 O ATOM 924 ND2 ASN A 58 117.849 6.928 12.094 1.00 0.00 N ATOM 0 H ASN A 58 116.477 3.667 12.803 1.00 0.00 H new ATOM 0 HA ASN A 58 114.820 5.674 14.137 1.00 0.00 H new ATOM 0 HB2 ASN A 58 115.709 5.951 11.236 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.632 7.027 12.104 1.00 0.00 H new ATOM 0 HD21 ASN A 58 118.684 7.449 12.362 1.00 0.00 H new ATOM 0 HD22 ASN A 58 117.907 6.204 11.378 1.00 0.00 H new ATOM 931 N THR A 59 114.014 3.112 12.966 1.00 0.00 N ATOM 932 CA THR A 59 112.973 2.211 12.485 1.00 0.00 C ATOM 933 C THR A 59 111.598 2.750 12.860 1.00 0.00 C ATOM 934 O THR A 59 110.701 2.832 12.020 1.00 0.00 O ATOM 935 CB THR A 59 113.161 0.804 13.061 1.00 0.00 C ATOM 936 OG1 THR A 59 114.340 0.731 13.841 1.00 0.00 O ATOM 937 CG2 THR A 59 113.245 -0.272 11.998 1.00 0.00 C ATOM 0 H THR A 59 114.710 2.675 13.569 1.00 0.00 H new ATOM 0 HA THR A 59 113.048 2.150 11.399 1.00 0.00 H new ATOM 0 HB THR A 59 112.275 0.623 13.670 1.00 0.00 H new ATOM 0 HG1 THR A 59 115.123 0.737 13.252 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.378 -1.244 12.474 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.326 -0.277 11.412 1.00 0.00 H new ATOM 0 HG23 THR A 59 114.092 -0.070 11.342 1.00 0.00 H new ATOM 945 N ALA A 60 111.445 3.132 14.124 1.00 0.00 N ATOM 946 CA ALA A 60 110.184 3.678 14.609 1.00 0.00 C ATOM 947 C ALA A 60 109.812 4.937 13.836 1.00 0.00 C ATOM 948 O ALA A 60 108.636 5.215 13.606 1.00 0.00 O ATOM 949 CB ALA A 60 110.274 3.976 16.098 1.00 0.00 C ATOM 0 H ALA A 60 112.179 3.073 14.830 1.00 0.00 H new ATOM 0 HA ALA A 60 109.403 2.935 14.450 1.00 0.00 H new ATOM 0 HB1 ALA A 60 109.325 4.383 16.446 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.495 3.057 16.640 1.00 0.00 H new ATOM 0 HB3 ALA A 60 111.067 4.702 16.276 1.00 0.00 H new ATOM 955 N TYR A 61 110.830 5.683 13.419 1.00 0.00 N ATOM 956 CA TYR A 61 110.621 6.903 12.652 1.00 0.00 C ATOM 957 C TYR A 61 109.957 6.553 11.335 1.00 0.00 C ATOM 958 O TYR A 61 109.025 7.224 10.890 1.00 0.00 O ATOM 959 CB TYR A 61 111.950 7.620 12.408 1.00 0.00 C ATOM 960 CG TYR A 61 111.990 8.408 11.118 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.944 9.251 10.763 1.00 0.00 C ATOM 962 CD2 TYR A 61 113.076 8.313 10.258 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.980 9.975 9.586 1.00 0.00 C ATOM 964 CE2 TYR A 61 113.120 9.034 9.080 1.00 0.00 C ATOM 965 CZ TYR A 61 112.070 9.863 8.750 1.00 0.00 C ATOM 966 OH TYR A 61 112.112 10.585 7.579 1.00 0.00 O ATOM 0 H TYR A 61 111.809 5.462 13.600 1.00 0.00 H new ATOM 0 HA TYR A 61 109.976 7.577 13.215 1.00 0.00 H new ATOM 0 HB2 TYR A 61 112.147 8.295 13.241 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.753 6.883 12.398 1.00 0.00 H new ATOM 0 HD1 TYR A 61 110.089 9.342 11.417 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.901 7.664 10.514 1.00 0.00 H new ATOM 0 HE1 TYR A 61 110.158 10.625 9.323 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.972 8.948 8.422 1.00 0.00 H new ATOM 0 HH TYR A 61 112.969 11.057 7.516 1.00 0.00 H new ATOM 976 N LEU A 62 110.423 5.465 10.738 1.00 0.00 N ATOM 977 CA LEU A 62 109.860 4.977 9.495 1.00 0.00 C ATOM 978 C LEU A 62 108.456 4.465 9.768 1.00 0.00 C ATOM 979 O LEU A 62 107.582 4.497 8.901 1.00 0.00 O ATOM 980 CB LEU A 62 110.728 3.863 8.905 1.00 0.00 C ATOM 981 CG LEU A 62 112.014 4.336 8.224 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.756 3.160 7.610 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.700 5.383 7.165 1.00 0.00 C ATOM 0 H LEU A 62 111.194 4.904 11.100 1.00 0.00 H new ATOM 0 HA LEU A 62 109.825 5.789 8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 62 110.992 3.168 9.702 1.00 0.00 H new ATOM 0 HB3 LEU A 62 110.134 3.306 8.180 1.00 0.00 H new ATOM 0 HG LEU A 62 112.657 4.791 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.668 3.516 7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 62 113.012 2.444 8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 62 112.121 2.676 6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.625 5.709 6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 62 111.038 4.953 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 62 111.211 6.238 7.632 1.00 0.00 H new ATOM 995 N ASP A 63 108.255 3.993 10.997 1.00 0.00 N ATOM 996 CA ASP A 63 106.962 3.469 11.418 1.00 0.00 C ATOM 997 C ASP A 63 105.876 4.529 11.272 1.00 0.00 C ATOM 998 O ASP A 63 104.696 4.207 11.129 1.00 0.00 O ATOM 999 CB ASP A 63 107.030 2.988 12.868 1.00 0.00 C ATOM 1000 CG ASP A 63 106.001 3.666 13.752 1.00 0.00 C ATOM 1001 OD1 ASP A 63 106.010 4.913 13.823 1.00 0.00 O ATOM 1002 OD2 ASP A 63 105.187 2.950 14.372 1.00 0.00 O ATOM 0 H ASP A 63 108.975 3.964 11.719 1.00 0.00 H new ATOM 0 HA ASP A 63 106.712 2.625 10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 63 106.876 1.909 12.898 1.00 0.00 H new ATOM 0 HB3 ASP A 63 108.027 3.178 13.265 1.00 0.00 H new ATOM 1007 N GLY A 64 106.281 5.795 11.310 1.00 0.00 N ATOM 1008 CA GLY A 64 105.326 6.880 11.181 1.00 0.00 C ATOM 1009 C GLY A 64 104.591 6.840 9.856 1.00 0.00 C ATOM 1010 O GLY A 64 103.403 7.155 9.788 1.00 0.00 O ATOM 0 H GLY A 64 107.251 6.088 11.428 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.605 6.826 11.997 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.846 7.833 11.278 1.00 0.00 H new ATOM 1014 N LEU A 65 105.295 6.438 8.803 1.00 0.00 N ATOM 1015 CA LEU A 65 104.695 6.344 7.478 1.00 0.00 C ATOM 1016 C LEU A 65 103.693 5.195 7.435 1.00 0.00 C ATOM 1017 O LEU A 65 102.615 5.317 6.854 1.00 0.00 O ATOM 1018 CB LEU A 65 105.777 6.140 6.414 1.00 0.00 C ATOM 1019 CG LEU A 65 106.827 7.249 6.326 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.863 7.842 4.924 1.00 0.00 C ATOM 1021 CD2 LEU A 65 106.555 8.333 7.356 1.00 0.00 C ATOM 0 H LEU A 65 106.279 6.173 8.842 1.00 0.00 H new ATOM 0 HA LEU A 65 104.172 7.277 7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 65 106.285 5.197 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.293 6.043 5.442 1.00 0.00 H new ATOM 0 HG LEU A 65 107.802 6.811 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.616 8.629 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 65 107.113 7.062 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 65 105.886 8.260 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 65 107.314 9.111 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 65 105.571 8.766 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 65 106.584 7.900 8.356 1.00 0.00 H new ATOM 1033 N MET A 66 104.055 4.084 8.065 1.00 0.00 N ATOM 1034 CA MET A 66 103.188 2.913 8.113 1.00 0.00 C ATOM 1035 C MET A 66 102.072 3.126 9.124 1.00 0.00 C ATOM 1036 O MET A 66 101.012 2.506 9.041 1.00 0.00 O ATOM 1037 CB MET A 66 103.998 1.674 8.488 1.00 0.00 C ATOM 1038 CG MET A 66 105.144 1.395 7.537 1.00 0.00 C ATOM 1039 SD MET A 66 105.184 -0.318 6.977 1.00 0.00 S ATOM 1040 CE MET A 66 106.631 -0.297 5.922 1.00 0.00 C ATOM 0 H MET A 66 104.945 3.969 8.551 1.00 0.00 H new ATOM 0 HA MET A 66 102.748 2.765 7.127 1.00 0.00 H new ATOM 0 HB2 MET A 66 104.394 1.799 9.496 1.00 0.00 H new ATOM 0 HB3 MET A 66 103.335 0.809 8.511 1.00 0.00 H new ATOM 0 HG2 MET A 66 105.061 2.054 6.672 1.00 0.00 H new ATOM 0 HG3 MET A 66 106.086 1.633 8.030 1.00 0.00 H new ATOM 0 HE1 MET A 66 106.640 -1.191 5.299 1.00 0.00 H new ATOM 0 HE2 MET A 66 106.605 0.588 5.287 1.00 0.00 H new ATOM 0 HE3 MET A 66 107.530 -0.275 6.538 1.00 0.00 H new ATOM 1050 N LYS A 67 102.329 4.010 10.079 1.00 0.00 N ATOM 1051 CA LYS A 67 101.360 4.327 11.123 1.00 0.00 C ATOM 1052 C LYS A 67 99.930 4.229 10.597 1.00 0.00 C ATOM 1053 O LYS A 67 99.107 3.499 11.146 1.00 0.00 O ATOM 1054 CB LYS A 67 101.617 5.729 11.676 1.00 0.00 C ATOM 1055 CG LYS A 67 101.381 5.845 13.173 1.00 0.00 C ATOM 1056 CD LYS A 67 102.675 5.690 13.954 1.00 0.00 C ATOM 1057 CE LYS A 67 102.622 6.442 15.275 1.00 0.00 C ATOM 1058 NZ LYS A 67 101.945 7.760 15.138 1.00 0.00 N ATOM 0 H LYS A 67 103.207 4.524 10.153 1.00 0.00 H new ATOM 0 HA LYS A 67 101.480 3.598 11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.646 6.015 11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 67 100.971 6.439 11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 67 100.933 6.813 13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 67 100.670 5.083 13.490 1.00 0.00 H new ATOM 0 HD2 LYS A 67 102.863 4.633 14.143 1.00 0.00 H new ATOM 0 HD3 LYS A 67 103.508 6.060 13.357 1.00 0.00 H new ATOM 0 HE2 LYS A 67 102.096 5.839 16.015 1.00 0.00 H new ATOM 0 HE3 LYS A 67 103.635 6.592 15.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 102.216 8.374 15.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 102.231 8.206 14.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 100.914 7.623 15.142 1.00 0.00 H new ATOM 1072 N PRO A 68 99.615 4.970 9.522 1.00 0.00 N ATOM 1073 CA PRO A 68 98.275 4.963 8.925 1.00 0.00 C ATOM 1074 C PRO A 68 97.911 3.607 8.329 1.00 0.00 C ATOM 1075 O PRO A 68 96.741 3.228 8.294 1.00 0.00 O ATOM 1076 CB PRO A 68 98.363 6.025 7.824 1.00 0.00 C ATOM 1077 CG PRO A 68 99.816 6.140 7.516 1.00 0.00 C ATOM 1078 CD PRO A 68 100.535 5.870 8.808 1.00 0.00 C ATOM 0 HA PRO A 68 97.502 5.165 9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 68 97.795 5.728 6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 68 97.954 6.978 8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 68 100.110 5.424 6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 68 100.057 7.132 7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.505 5.403 8.639 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.716 6.788 9.368 1.00 0.00 H new ATOM 1086 N TYR A 69 98.921 2.878 7.864 1.00 0.00 N ATOM 1087 CA TYR A 69 98.704 1.563 7.272 1.00 0.00 C ATOM 1088 C TYR A 69 99.567 0.506 7.955 1.00 0.00 C ATOM 1089 O TYR A 69 100.792 0.505 7.827 1.00 0.00 O ATOM 1090 CB TYR A 69 98.998 1.600 5.770 1.00 0.00 C ATOM 1091 CG TYR A 69 100.438 1.304 5.424 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.890 -0.004 5.315 1.00 0.00 C ATOM 1093 CD2 TYR A 69 101.344 2.333 5.208 1.00 0.00 C ATOM 1094 CE1 TYR A 69 102.206 -0.279 5.001 1.00 0.00 C ATOM 1095 CE2 TYR A 69 102.662 2.066 4.893 1.00 0.00 C ATOM 1096 CZ TYR A 69 103.089 0.759 4.791 1.00 0.00 C ATOM 1097 OH TYR A 69 104.401 0.490 4.476 1.00 0.00 O ATOM 0 H TYR A 69 99.896 3.175 7.886 1.00 0.00 H new ATOM 0 HA TYR A 69 97.658 1.294 7.419 1.00 0.00 H new ATOM 0 HB2 TYR A 69 98.357 0.877 5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 69 98.736 2.584 5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 69 100.201 -0.820 5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 69 101.013 3.358 5.287 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.542 -1.302 4.920 1.00 0.00 H new ATOM 0 HE2 TYR A 69 103.355 2.877 4.727 1.00 0.00 H new ATOM 0 HH TYR A 69 104.654 -0.382 4.845 1.00 0.00 H new ATOM 1107 N LEU A 70 98.918 -0.390 8.692 1.00 0.00 N ATOM 1108 CA LEU A 70 99.618 -1.450 9.403 1.00 0.00 C ATOM 1109 C LEU A 70 99.314 -2.810 8.785 1.00 0.00 C ATOM 1110 O LEU A 70 100.222 -3.587 8.489 1.00 0.00 O ATOM 1111 CB LEU A 70 99.214 -1.449 10.877 1.00 0.00 C ATOM 1112 CG LEU A 70 99.399 -0.116 11.603 1.00 0.00 C ATOM 1113 CD1 LEU A 70 100.872 0.258 11.668 1.00 0.00 C ATOM 1114 CD2 LEU A 70 98.598 0.985 10.926 1.00 0.00 C ATOM 0 H LEU A 70 97.905 -0.401 8.812 1.00 0.00 H new ATOM 0 HA LEU A 70 100.689 -1.265 9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 70 98.167 -1.742 10.950 1.00 0.00 H new ATOM 0 HB3 LEU A 70 99.795 -2.211 11.397 1.00 0.00 H new ATOM 0 HG LEU A 70 99.027 -0.230 12.621 1.00 0.00 H new ATOM 0 HD11 LEU A 70 100.983 1.209 12.188 1.00 0.00 H new ATOM 0 HD12 LEU A 70 101.420 -0.516 12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 70 101.269 0.349 10.657 1.00 0.00 H new ATOM 0 HD21 LEU A 70 98.746 1.923 11.460 1.00 0.00 H new ATOM 0 HD22 LEU A 70 98.934 1.098 9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 70 97.540 0.724 10.937 1.00 0.00 H new ATOM 1126 N SER A 71 98.028 -3.092 8.596 1.00 0.00 N ATOM 1127 CA SER A 71 97.599 -4.359 8.017 1.00 0.00 C ATOM 1128 C SER A 71 97.684 -5.480 9.048 1.00 0.00 C ATOM 1129 O SER A 71 98.238 -6.546 8.777 1.00 0.00 O ATOM 1130 CB SER A 71 98.455 -4.704 6.797 1.00 0.00 C ATOM 1131 OG SER A 71 97.670 -4.747 5.619 1.00 0.00 O ATOM 0 H SER A 71 97.265 -2.459 8.836 1.00 0.00 H new ATOM 0 HA SER A 71 96.561 -4.255 7.702 1.00 0.00 H new ATOM 0 HB2 SER A 71 99.247 -3.964 6.683 1.00 0.00 H new ATOM 0 HB3 SER A 71 98.940 -5.668 6.950 1.00 0.00 H new ATOM 0 HG SER A 71 98.004 -4.084 4.979 1.00 0.00 H new ATOM 1137 N ARG A 72 97.135 -5.230 10.232 1.00 0.00 N ATOM 1138 CA ARG A 72 97.152 -6.216 11.306 1.00 0.00 C ATOM 1139 C ARG A 72 98.555 -6.357 11.885 1.00 0.00 C ATOM 1140 O ARG A 72 98.771 -6.138 13.077 1.00 0.00 O ATOM 1141 CB ARG A 72 96.658 -7.570 10.793 1.00 0.00 C ATOM 1142 CG ARG A 72 95.312 -7.499 10.092 1.00 0.00 C ATOM 1143 CD ARG A 72 95.184 -8.572 9.023 1.00 0.00 C ATOM 1144 NE ARG A 72 94.004 -8.374 8.187 1.00 0.00 N ATOM 1145 CZ ARG A 72 93.877 -8.876 6.963 1.00 0.00 C ATOM 1146 NH1 ARG A 72 94.854 -9.603 6.438 1.00 0.00 N ATOM 1147 NH2 ARG A 72 92.773 -8.652 6.263 1.00 0.00 N ATOM 0 H ARG A 72 96.673 -4.353 10.472 1.00 0.00 H new ATOM 0 HA ARG A 72 96.484 -5.872 12.095 1.00 0.00 H new ATOM 0 HB2 ARG A 72 97.396 -7.980 10.104 1.00 0.00 H new ATOM 0 HB3 ARG A 72 96.586 -8.263 11.631 1.00 0.00 H new ATOM 0 HG2 ARG A 72 94.513 -7.616 10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 72 95.188 -6.516 9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 72 96.076 -8.568 8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 72 95.132 -9.552 9.498 1.00 0.00 H new ATOM 0 HE ARG A 72 93.235 -7.820 8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 72 95.704 -9.778 6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 72 94.755 -9.988 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 72 92.019 -8.094 6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 72 92.678 -9.038 5.324 1.00 0.00 H new ATOM 1161 N LEU A 73 99.506 -6.723 11.032 1.00 0.00 N ATOM 1162 CA LEU A 73 100.889 -6.892 11.455 1.00 0.00 C ATOM 1163 C LEU A 73 101.841 -6.698 10.281 1.00 0.00 C ATOM 1164 O LEU A 73 101.548 -7.106 9.157 1.00 0.00 O ATOM 1165 CB LEU A 73 101.091 -8.277 12.066 1.00 0.00 C ATOM 1166 CG LEU A 73 100.161 -8.615 13.232 1.00 0.00 C ATOM 1167 CD1 LEU A 73 98.828 -9.137 12.719 1.00 0.00 C ATOM 1168 CD2 LEU A 73 100.814 -9.631 14.156 1.00 0.00 C ATOM 0 H LEU A 73 99.343 -6.908 10.042 1.00 0.00 H new ATOM 0 HA LEU A 73 101.109 -6.136 12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 73 100.955 -9.025 11.285 1.00 0.00 H new ATOM 0 HB3 LEU A 73 102.122 -8.359 12.409 1.00 0.00 H new ATOM 0 HG LEU A 73 99.975 -7.703 13.800 1.00 0.00 H new ATOM 0 HD11 LEU A 73 98.180 -9.372 13.563 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.354 -8.377 12.098 1.00 0.00 H new ATOM 0 HD13 LEU A 73 98.993 -10.037 12.127 1.00 0.00 H new ATOM 0 HD21 LEU A 73 100.139 -9.860 14.980 1.00 0.00 H new ATOM 0 HD22 LEU A 73 101.030 -10.543 13.599 1.00 0.00 H new ATOM 0 HD23 LEU A 73 101.742 -9.219 14.552 1.00 0.00 H new ATOM 1180 N LEU A 74 102.982 -6.074 10.549 1.00 0.00 N ATOM 1181 CA LEU A 74 103.978 -5.827 9.514 1.00 0.00 C ATOM 1182 C LEU A 74 104.645 -7.128 9.080 1.00 0.00 C ATOM 1183 O LEU A 74 104.962 -7.313 7.906 1.00 0.00 O ATOM 1184 CB LEU A 74 105.034 -4.841 10.017 1.00 0.00 C ATOM 1185 CG LEU A 74 104.480 -3.542 10.604 1.00 0.00 C ATOM 1186 CD1 LEU A 74 105.413 -3.001 11.677 1.00 0.00 C ATOM 1187 CD2 LEU A 74 104.268 -2.508 9.508 1.00 0.00 C ATOM 0 H LEU A 74 103.240 -5.730 11.474 1.00 0.00 H new ATOM 0 HA LEU A 74 103.470 -5.395 8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 74 105.639 -5.336 10.777 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.700 -4.593 9.191 1.00 0.00 H new ATOM 0 HG LEU A 74 103.515 -3.756 11.064 1.00 0.00 H new ATOM 0 HD11 LEU A 74 105.003 -2.077 12.083 1.00 0.00 H new ATOM 0 HD12 LEU A 74 105.513 -3.736 12.476 1.00 0.00 H new ATOM 0 HD13 LEU A 74 106.392 -2.803 11.241 1.00 0.00 H new ATOM 0 HD21 LEU A 74 103.873 -1.591 9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 74 105.219 -2.297 9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 74 103.560 -2.895 8.775 1.00 0.00 H new ATOM 1199 N GLU A 75 104.854 -8.027 10.037 1.00 0.00 N ATOM 1200 CA GLU A 75 105.483 -9.312 9.754 1.00 0.00 C ATOM 1201 C GLU A 75 104.544 -10.213 8.960 1.00 0.00 C ATOM 1202 O GLU A 75 104.988 -11.112 8.244 1.00 0.00 O ATOM 1203 CB GLU A 75 105.890 -10.001 11.058 1.00 0.00 C ATOM 1204 CG GLU A 75 107.094 -10.917 10.912 1.00 0.00 C ATOM 1205 CD GLU A 75 107.666 -11.344 12.250 1.00 0.00 C ATOM 1206 OE1 GLU A 75 106.985 -12.103 12.971 1.00 0.00 O ATOM 1207 OE2 GLU A 75 108.795 -10.920 12.575 1.00 0.00 O ATOM 0 H GLU A 75 104.597 -7.889 11.014 1.00 0.00 H new ATOM 0 HA GLU A 75 106.375 -9.129 9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 75 106.111 -9.241 11.807 1.00 0.00 H new ATOM 0 HB3 GLU A 75 105.046 -10.581 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 75 106.806 -11.802 10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 75 107.867 -10.407 10.337 1.00 0.00 H new ATOM 1214 N GLU A 76 103.245 -9.968 9.091 1.00 0.00 N ATOM 1215 CA GLU A 76 102.242 -10.757 8.385 1.00 0.00 C ATOM 1216 C GLU A 76 102.230 -10.418 6.898 1.00 0.00 C ATOM 1217 O GLU A 76 102.301 -11.305 6.048 1.00 0.00 O ATOM 1218 CB GLU A 76 100.857 -10.516 8.987 1.00 0.00 C ATOM 1219 CG GLU A 76 100.650 -11.196 10.331 1.00 0.00 C ATOM 1220 CD GLU A 76 100.045 -12.580 10.196 1.00 0.00 C ATOM 1221 OE1 GLU A 76 99.746 -12.989 9.055 1.00 0.00 O ATOM 1222 OE2 GLU A 76 99.869 -13.254 11.233 1.00 0.00 O ATOM 0 H GLU A 76 102.862 -9.229 9.680 1.00 0.00 H new ATOM 0 HA GLU A 76 102.500 -11.810 8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 76 100.703 -9.443 9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 76 100.100 -10.872 8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 76 101.607 -11.270 10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 76 100.000 -10.578 10.951 1.00 0.00 H new ATOM 1229 N LEU A 77 102.139 -9.127 6.593 1.00 0.00 N ATOM 1230 CA LEU A 77 102.119 -8.670 5.208 1.00 0.00 C ATOM 1231 C LEU A 77 103.311 -9.224 4.435 1.00 0.00 C ATOM 1232 O LEU A 77 104.315 -9.622 5.026 1.00 0.00 O ATOM 1233 CB LEU A 77 102.127 -7.141 5.155 1.00 0.00 C ATOM 1234 CG LEU A 77 101.406 -6.531 3.952 1.00 0.00 C ATOM 1235 CD1 LEU A 77 100.072 -5.936 4.375 1.00 0.00 C ATOM 1236 CD2 LEU A 77 102.277 -5.474 3.290 1.00 0.00 C ATOM 0 H LEU A 77 102.078 -8.380 7.285 1.00 0.00 H new ATOM 0 HA LEU A 77 101.205 -9.038 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.668 -6.759 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 77 103.162 -6.798 5.151 1.00 0.00 H new ATOM 0 HG LEU A 77 101.214 -7.322 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 77 99.573 -5.507 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 77 99.445 -6.717 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 77 100.240 -5.157 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 77 101.749 -5.050 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 77 102.499 -4.684 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 77 103.208 -5.929 2.952 1.00 0.00 H new ATOM 1248 N GLY A 78 103.193 -9.247 3.112 1.00 0.00 N ATOM 1249 CA GLY A 78 104.270 -9.755 2.281 1.00 0.00 C ATOM 1250 C GLY A 78 105.639 -9.407 2.829 1.00 0.00 C ATOM 1251 O GLY A 78 106.016 -8.236 2.878 1.00 0.00 O ATOM 0 H GLY A 78 102.372 -8.924 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 78 104.180 -10.838 2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 78 104.171 -9.348 1.275 1.00 0.00 H new ATOM 1255 N GLN A 79 106.386 -10.425 3.244 1.00 0.00 N ATOM 1256 CA GLN A 79 107.721 -10.220 3.793 1.00 0.00 C ATOM 1257 C GLN A 79 108.497 -9.193 2.975 1.00 0.00 C ATOM 1258 O GLN A 79 108.799 -8.102 3.457 1.00 0.00 O ATOM 1259 CB GLN A 79 108.487 -11.543 3.833 1.00 0.00 C ATOM 1260 CG GLN A 79 108.442 -12.230 5.188 1.00 0.00 C ATOM 1261 CD GLN A 79 109.192 -11.461 6.257 1.00 0.00 C ATOM 1262 OE1 GLN A 79 108.589 -10.879 7.158 1.00 0.00 O ATOM 1263 NE2 GLN A 79 110.517 -11.453 6.161 1.00 0.00 N ATOM 0 H GLN A 79 106.089 -11.400 3.210 1.00 0.00 H new ATOM 0 HA GLN A 79 107.613 -9.839 4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 79 108.075 -12.215 3.080 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.527 -11.360 3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 79 107.403 -12.352 5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 79 108.868 -13.230 5.099 1.00 0.00 H new ATOM 0 HE21 GLN A 79 110.976 -11.949 5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 79 111.075 -10.951 6.851 1.00 0.00 H new ATOM 1272 N VAL A 80 108.820 -9.551 1.736 1.00 0.00 N ATOM 1273 CA VAL A 80 109.566 -8.655 0.856 1.00 0.00 C ATOM 1274 C VAL A 80 108.804 -7.361 0.609 1.00 0.00 C ATOM 1275 O VAL A 80 109.351 -6.268 0.759 1.00 0.00 O ATOM 1276 CB VAL A 80 109.874 -9.302 -0.512 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.269 -9.904 -0.522 1.00 0.00 C ATOM 1278 CG2 VAL A 80 108.828 -10.348 -0.871 1.00 0.00 C ATOM 0 H VAL A 80 108.579 -10.450 1.319 1.00 0.00 H new ATOM 0 HA VAL A 80 110.504 -8.445 1.371 1.00 0.00 H new ATOM 0 HB VAL A 80 109.837 -8.519 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.464 -10.354 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 80 112.004 -9.122 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.341 -10.668 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 80 109.070 -10.787 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 80 108.818 -11.129 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 80 107.846 -9.878 -0.921 1.00 0.00 H new ATOM 1288 N GLU A 81 107.538 -7.487 0.225 1.00 0.00 N ATOM 1289 CA GLU A 81 106.714 -6.321 -0.058 1.00 0.00 C ATOM 1290 C GLU A 81 106.701 -5.365 1.125 1.00 0.00 C ATOM 1291 O GLU A 81 106.954 -4.171 0.967 1.00 0.00 O ATOM 1292 CB GLU A 81 105.285 -6.750 -0.397 1.00 0.00 C ATOM 1293 CG GLU A 81 105.188 -7.613 -1.644 1.00 0.00 C ATOM 1294 CD GLU A 81 103.843 -8.301 -1.773 1.00 0.00 C ATOM 1295 OE1 GLU A 81 102.845 -7.756 -1.256 1.00 0.00 O ATOM 1296 OE2 GLU A 81 103.787 -9.385 -2.391 1.00 0.00 O ATOM 0 H GLU A 81 107.063 -8.382 0.103 1.00 0.00 H new ATOM 0 HA GLU A 81 107.144 -5.804 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 81 104.869 -7.299 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.670 -5.860 -0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 81 105.361 -6.994 -2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 81 105.976 -8.365 -1.623 1.00 0.00 H new ATOM 1303 N LYS A 82 106.433 -5.891 2.314 1.00 0.00 N ATOM 1304 CA LYS A 82 106.408 -5.061 3.509 1.00 0.00 C ATOM 1305 C LYS A 82 107.740 -4.348 3.665 1.00 0.00 C ATOM 1306 O LYS A 82 107.791 -3.175 4.032 1.00 0.00 O ATOM 1307 CB LYS A 82 106.121 -5.907 4.751 1.00 0.00 C ATOM 1308 CG LYS A 82 106.208 -5.123 6.052 1.00 0.00 C ATOM 1309 CD LYS A 82 107.620 -5.134 6.621 1.00 0.00 C ATOM 1310 CE LYS A 82 107.855 -3.957 7.556 1.00 0.00 C ATOM 1311 NZ LYS A 82 107.858 -4.375 8.985 1.00 0.00 N ATOM 0 H LYS A 82 106.232 -6.878 2.475 1.00 0.00 H new ATOM 0 HA LYS A 82 105.612 -4.324 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 82 105.125 -6.341 4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.828 -6.736 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.893 -4.094 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.518 -5.549 6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.789 -6.067 7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 82 108.342 -5.101 5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 82 108.807 -3.485 7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 82 107.079 -3.208 7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 107.262 -3.726 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 107.483 -5.342 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 108.831 -4.350 9.352 1.00 0.00 H new ATOM 1325 N ALA A 83 108.817 -5.060 3.359 1.00 0.00 N ATOM 1326 CA ALA A 83 110.147 -4.489 3.441 1.00 0.00 C ATOM 1327 C ALA A 83 110.353 -3.473 2.327 1.00 0.00 C ATOM 1328 O ALA A 83 110.963 -2.424 2.529 1.00 0.00 O ATOM 1329 CB ALA A 83 111.201 -5.584 3.367 1.00 0.00 C ATOM 0 H ALA A 83 108.791 -6.033 3.053 1.00 0.00 H new ATOM 0 HA ALA A 83 110.249 -3.979 4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 83 112.194 -5.138 3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 83 111.062 -6.279 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 83 111.103 -6.120 2.423 1.00 0.00 H new ATOM 1335 N VAL A 84 109.823 -3.794 1.148 1.00 0.00 N ATOM 1336 CA VAL A 84 109.946 -2.920 -0.008 1.00 0.00 C ATOM 1337 C VAL A 84 109.379 -1.546 0.298 1.00 0.00 C ATOM 1338 O VAL A 84 110.003 -0.523 0.015 1.00 0.00 O ATOM 1339 CB VAL A 84 109.209 -3.505 -1.227 1.00 0.00 C ATOM 1340 CG1 VAL A 84 108.072 -2.590 -1.654 1.00 0.00 C ATOM 1341 CG2 VAL A 84 110.179 -3.739 -2.375 1.00 0.00 C ATOM 0 H VAL A 84 109.305 -4.655 0.972 1.00 0.00 H new ATOM 0 HA VAL A 84 111.008 -2.835 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 84 108.781 -4.467 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.563 -3.020 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.364 -2.481 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.472 -1.612 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.641 -4.153 -3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.640 -2.793 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.953 -4.439 -2.060 1.00 0.00 H new ATOM 1351 N LEU A 85 108.196 -1.535 0.887 1.00 0.00 N ATOM 1352 CA LEU A 85 107.536 -0.295 1.249 1.00 0.00 C ATOM 1353 C LEU A 85 108.267 0.393 2.396 1.00 0.00 C ATOM 1354 O LEU A 85 108.282 1.621 2.482 1.00 0.00 O ATOM 1355 CB LEU A 85 106.082 -0.562 1.641 1.00 0.00 C ATOM 1356 CG LEU A 85 105.205 -1.140 0.529 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.899 -1.667 1.102 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.936 -0.089 -0.537 1.00 0.00 C ATOM 0 H LEU A 85 107.671 -2.376 1.125 1.00 0.00 H new ATOM 0 HA LEU A 85 107.554 0.365 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 85 106.071 -1.250 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.637 0.372 1.985 1.00 0.00 H new ATOM 0 HG LEU A 85 105.737 -1.971 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.287 -2.075 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.111 -2.451 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.362 -0.854 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 85 104.311 -0.517 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 85 104.423 0.762 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.881 0.243 -0.968 1.00 0.00 H new ATOM 1370 N ARG A 86 108.875 -0.399 3.279 1.00 0.00 N ATOM 1371 CA ARG A 86 109.584 0.160 4.423 1.00 0.00 C ATOM 1372 C ARG A 86 110.675 1.108 3.959 1.00 0.00 C ATOM 1373 O ARG A 86 110.774 2.238 4.438 1.00 0.00 O ATOM 1374 CB ARG A 86 110.189 -0.959 5.274 1.00 0.00 C ATOM 1375 CG ARG A 86 111.284 -0.484 6.215 1.00 0.00 C ATOM 1376 CD ARG A 86 111.150 -1.117 7.590 1.00 0.00 C ATOM 1377 NE ARG A 86 111.878 -2.380 7.685 1.00 0.00 N ATOM 1378 CZ ARG A 86 112.089 -3.023 8.829 1.00 0.00 C ATOM 1379 NH1 ARG A 86 111.629 -2.524 9.968 1.00 0.00 N ATOM 1380 NH2 ARG A 86 112.761 -4.167 8.834 1.00 0.00 N ATOM 0 H ARG A 86 108.890 -1.417 3.223 1.00 0.00 H new ATOM 0 HA ARG A 86 108.871 0.717 5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.397 -1.428 5.859 1.00 0.00 H new ATOM 0 HB3 ARG A 86 110.596 -1.726 4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 86 112.259 -0.729 5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 86 111.241 0.601 6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 86 111.524 -0.426 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 86 110.096 -1.289 7.809 1.00 0.00 H new ATOM 0 HE ARG A 86 112.244 -2.791 6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 86 111.112 -1.645 9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 86 111.792 -3.019 10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 86 113.116 -4.554 7.960 1.00 0.00 H new ATOM 0 HH22 ARG A 86 112.922 -4.660 9.712 1.00 0.00 H new ATOM 1394 N ILE A 87 111.473 0.660 3.004 1.00 0.00 N ATOM 1395 CA ILE A 87 112.531 1.492 2.466 1.00 0.00 C ATOM 1396 C ILE A 87 111.930 2.658 1.696 1.00 0.00 C ATOM 1397 O ILE A 87 112.491 3.755 1.665 1.00 0.00 O ATOM 1398 CB ILE A 87 113.463 0.694 1.534 1.00 0.00 C ATOM 1399 CG1 ILE A 87 113.867 -0.627 2.190 1.00 0.00 C ATOM 1400 CG2 ILE A 87 114.693 1.517 1.183 1.00 0.00 C ATOM 1401 CD1 ILE A 87 114.161 -1.731 1.197 1.00 0.00 C ATOM 0 H ILE A 87 111.408 -0.269 2.589 1.00 0.00 H new ATOM 0 HA ILE A 87 113.121 1.861 3.305 1.00 0.00 H new ATOM 0 HB ILE A 87 112.926 0.470 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 87 114.749 -0.461 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 87 113.068 -0.952 2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 87 115.341 0.939 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.386 2.433 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 87 115.234 1.769 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 87 114.441 -2.638 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 87 113.273 -1.925 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 87 114.981 -1.427 0.547 1.00 0.00 H new ATOM 1413 N ALA A 88 110.769 2.416 1.090 1.00 0.00 N ATOM 1414 CA ALA A 88 110.082 3.445 0.327 1.00 0.00 C ATOM 1415 C ALA A 88 109.722 4.618 1.220 1.00 0.00 C ATOM 1416 O ALA A 88 109.682 5.764 0.773 1.00 0.00 O ATOM 1417 CB ALA A 88 108.835 2.873 -0.331 1.00 0.00 C ATOM 0 H ALA A 88 110.289 1.517 1.115 1.00 0.00 H new ATOM 0 HA ALA A 88 110.753 3.802 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 88 108.332 3.656 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 88 109.117 2.062 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 88 108.162 2.491 0.436 1.00 0.00 H new ATOM 1423 N LEU A 89 109.475 4.326 2.490 1.00 0.00 N ATOM 1424 CA LEU A 89 109.124 5.362 3.444 1.00 0.00 C ATOM 1425 C LEU A 89 110.258 6.370 3.561 1.00 0.00 C ATOM 1426 O LEU A 89 110.031 7.581 3.557 1.00 0.00 O ATOM 1427 CB LEU A 89 108.823 4.743 4.811 1.00 0.00 C ATOM 1428 CG LEU A 89 107.727 3.673 4.819 1.00 0.00 C ATOM 1429 CD1 LEU A 89 107.458 3.193 6.239 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.451 4.206 4.183 1.00 0.00 C ATOM 0 H LEU A 89 109.512 3.384 2.879 1.00 0.00 H new ATOM 0 HA LEU A 89 108.231 5.877 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.740 4.303 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.535 5.540 5.497 1.00 0.00 H new ATOM 0 HG LEU A 89 108.074 2.824 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 89 106.677 2.433 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 89 108.370 2.768 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 89 107.135 4.034 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.685 3.430 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 89 106.101 5.073 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.652 4.496 3.152 1.00 0.00 H new ATOM 1442 N TYR A 90 111.484 5.867 3.637 1.00 0.00 N ATOM 1443 CA TYR A 90 112.646 6.734 3.734 1.00 0.00 C ATOM 1444 C TYR A 90 112.841 7.494 2.432 1.00 0.00 C ATOM 1445 O TYR A 90 113.377 8.602 2.417 1.00 0.00 O ATOM 1446 CB TYR A 90 113.903 5.934 4.076 1.00 0.00 C ATOM 1447 CG TYR A 90 114.735 6.557 5.177 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.570 7.893 5.533 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.686 5.809 5.863 1.00 0.00 C ATOM 1450 CE1 TYR A 90 115.330 8.462 6.538 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.448 6.373 6.870 1.00 0.00 C ATOM 1452 CZ TYR A 90 116.266 7.698 7.203 1.00 0.00 C ATOM 1453 OH TYR A 90 117.022 8.262 8.205 1.00 0.00 O ATOM 0 H TYR A 90 111.696 4.869 3.633 1.00 0.00 H new ATOM 0 HA TYR A 90 112.472 7.448 4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.613 4.927 4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.516 5.835 3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.837 8.494 5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.832 4.770 5.605 1.00 0.00 H new ATOM 0 HE1 TYR A 90 115.191 9.500 6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 90 117.182 5.778 7.393 1.00 0.00 H new ATOM 0 HH TYR A 90 117.633 7.589 8.572 1.00 0.00 H new ATOM 1463 N GLU A 91 112.398 6.885 1.338 1.00 0.00 N ATOM 1464 CA GLU A 91 112.517 7.496 0.022 1.00 0.00 C ATOM 1465 C GLU A 91 111.924 8.898 0.026 1.00 0.00 C ATOM 1466 O GLU A 91 112.423 9.795 -0.653 1.00 0.00 O ATOM 1467 CB GLU A 91 111.815 6.634 -1.029 1.00 0.00 C ATOM 1468 CG GLU A 91 112.119 7.051 -2.459 1.00 0.00 C ATOM 1469 CD GLU A 91 110.878 7.481 -3.217 1.00 0.00 C ATOM 1470 OE1 GLU A 91 110.213 6.606 -3.812 1.00 0.00 O ATOM 1471 OE2 GLU A 91 110.570 8.691 -3.215 1.00 0.00 O ATOM 0 H GLU A 91 111.953 5.967 1.338 1.00 0.00 H new ATOM 0 HA GLU A 91 113.576 7.567 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 91 112.112 5.594 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 91 110.738 6.682 -0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 91 112.837 7.871 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 91 112.591 6.220 -2.983 1.00 0.00 H new ATOM 1478 N LEU A 92 110.856 9.084 0.796 1.00 0.00 N ATOM 1479 CA LEU A 92 110.204 10.384 0.883 1.00 0.00 C ATOM 1480 C LEU A 92 111.093 11.389 1.609 1.00 0.00 C ATOM 1481 O LEU A 92 111.130 12.568 1.257 1.00 0.00 O ATOM 1482 CB LEU A 92 108.860 10.253 1.601 1.00 0.00 C ATOM 1483 CG LEU A 92 107.944 9.155 1.058 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.347 8.347 2.198 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.844 9.758 0.196 1.00 0.00 C ATOM 0 H LEU A 92 110.427 8.355 1.365 1.00 0.00 H new ATOM 0 HA LEU A 92 110.031 10.749 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 92 109.046 10.061 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 92 108.336 11.207 1.538 1.00 0.00 H new ATOM 0 HG LEU A 92 108.539 8.485 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.698 7.571 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 92 108.148 7.886 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.766 9.004 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.201 8.963 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 92 106.251 10.450 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.291 10.293 -0.642 1.00 0.00 H new ATOM 1497 N SER A 93 111.809 10.914 2.624 1.00 0.00 N ATOM 1498 CA SER A 93 112.699 11.770 3.401 1.00 0.00 C ATOM 1499 C SER A 93 113.978 12.076 2.628 1.00 0.00 C ATOM 1500 O SER A 93 114.411 13.226 2.555 1.00 0.00 O ATOM 1501 CB SER A 93 113.043 11.104 4.735 1.00 0.00 C ATOM 1502 OG SER A 93 114.411 11.284 5.057 1.00 0.00 O ATOM 0 H SER A 93 111.790 9.940 2.928 1.00 0.00 H new ATOM 0 HA SER A 93 112.181 12.709 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.422 11.524 5.526 1.00 0.00 H new ATOM 0 HB3 SER A 93 112.815 10.039 4.683 1.00 0.00 H new ATOM 0 HG SER A 93 114.518 11.306 6.031 1.00 0.00 H new ATOM 1508 N LYS A 94 114.579 11.038 2.055 1.00 0.00 N ATOM 1509 CA LYS A 94 115.811 11.194 1.290 1.00 0.00 C ATOM 1510 C LYS A 94 115.513 11.570 -0.158 1.00 0.00 C ATOM 1511 O LYS A 94 116.385 11.486 -1.023 1.00 0.00 O ATOM 1512 CB LYS A 94 116.631 9.903 1.336 1.00 0.00 C ATOM 1513 CG LYS A 94 116.972 9.449 2.746 1.00 0.00 C ATOM 1514 CD LYS A 94 117.035 10.622 3.710 1.00 0.00 C ATOM 1515 CE LYS A 94 117.322 10.161 5.130 1.00 0.00 C ATOM 1516 NZ LYS A 94 118.520 10.837 5.702 1.00 0.00 N ATOM 0 H LYS A 94 114.233 10.080 2.106 1.00 0.00 H new ATOM 0 HA LYS A 94 116.388 12.000 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 94 116.076 9.112 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.555 10.049 0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 94 116.224 8.734 3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.930 8.930 2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 94 117.810 11.317 3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 94 116.090 11.165 3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 94 116.456 10.364 5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 94 117.476 9.082 5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 118.682 10.495 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 119.352 10.623 5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 118.363 11.865 5.719 1.00 0.00 H new ATOM 1530 N ARG A 95 114.277 11.983 -0.415 1.00 0.00 N ATOM 1531 CA ARG A 95 113.864 12.373 -1.759 1.00 0.00 C ATOM 1532 C ARG A 95 114.893 13.301 -2.397 1.00 0.00 C ATOM 1533 O ARG A 95 114.925 14.498 -2.110 1.00 0.00 O ATOM 1534 CB ARG A 95 112.500 13.061 -1.715 1.00 0.00 C ATOM 1535 CG ARG A 95 112.501 14.360 -0.925 1.00 0.00 C ATOM 1536 CD ARG A 95 111.089 14.811 -0.592 1.00 0.00 C ATOM 1537 NE ARG A 95 110.895 14.986 0.845 1.00 0.00 N ATOM 1538 CZ ARG A 95 111.386 16.011 1.534 1.00 0.00 C ATOM 1539 NH1 ARG A 95 112.096 16.947 0.919 1.00 0.00 N ATOM 1540 NH2 ARG A 95 111.167 16.101 2.839 1.00 0.00 N ATOM 0 H ARG A 95 113.543 12.057 0.289 1.00 0.00 H new ATOM 0 HA ARG A 95 113.790 11.470 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 95 112.172 13.265 -2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 95 111.772 12.379 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 95 113.068 14.226 -0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 95 113.006 15.136 -1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 95 110.878 15.750 -1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 95 110.376 14.077 -0.967 1.00 0.00 H new ATOM 0 HE ARG A 95 110.353 14.283 1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 95 112.266 16.881 -0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 95 112.472 17.733 1.449 1.00 0.00 H new ATOM 0 HH21 ARG A 95 110.621 15.383 3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 95 111.545 16.888 3.366 1.00 0.00 H new ATOM 1554 N SER A 96 115.732 12.743 -3.263 1.00 0.00 N ATOM 1555 CA SER A 96 116.760 13.524 -3.941 1.00 0.00 C ATOM 1556 C SER A 96 116.148 14.729 -4.648 1.00 0.00 C ATOM 1557 O SER A 96 116.530 15.871 -4.393 1.00 0.00 O ATOM 1558 CB SER A 96 117.510 12.653 -4.951 1.00 0.00 C ATOM 1559 OG SER A 96 116.641 11.714 -5.560 1.00 0.00 O ATOM 0 H SER A 96 115.720 11.754 -3.512 1.00 0.00 H new ATOM 0 HA SER A 96 117.463 13.883 -3.189 1.00 0.00 H new ATOM 0 HB2 SER A 96 117.961 13.285 -5.716 1.00 0.00 H new ATOM 0 HB3 SER A 96 118.324 12.128 -4.450 1.00 0.00 H new ATOM 0 HG SER A 96 117.144 11.171 -6.202 1.00 0.00 H new ATOM 1565 N ASP A 97 115.194 14.466 -5.535 1.00 0.00 N ATOM 1566 CA ASP A 97 114.527 15.528 -6.279 1.00 0.00 C ATOM 1567 C ASP A 97 113.161 15.066 -6.775 1.00 0.00 C ATOM 1568 O ASP A 97 112.677 15.526 -7.809 1.00 0.00 O ATOM 1569 CB ASP A 97 115.389 15.972 -7.461 1.00 0.00 C ATOM 1570 CG ASP A 97 115.719 17.451 -7.413 1.00 0.00 C ATOM 1571 OD1 ASP A 97 115.080 18.176 -6.621 1.00 0.00 O ATOM 1572 OD2 ASP A 97 116.615 17.885 -8.166 1.00 0.00 O ATOM 0 H ASP A 97 114.865 13.526 -5.756 1.00 0.00 H new ATOM 0 HA ASP A 97 114.384 16.374 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 97 116.314 15.396 -7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 97 114.867 15.749 -8.392 1.00 0.00 H new ATOM 1577 N VAL A 98 112.546 14.154 -6.030 1.00 0.00 N ATOM 1578 CA VAL A 98 111.236 13.629 -6.393 1.00 0.00 C ATOM 1579 C VAL A 98 110.217 13.881 -5.287 1.00 0.00 C ATOM 1580 O VAL A 98 110.518 13.726 -4.103 1.00 0.00 O ATOM 1581 CB VAL A 98 111.298 12.117 -6.683 1.00 0.00 C ATOM 1582 CG1 VAL A 98 110.634 11.331 -5.564 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.650 11.804 -8.023 1.00 0.00 C ATOM 0 H VAL A 98 112.934 13.763 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 98 110.925 14.153 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 98 112.345 11.817 -6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.688 10.265 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 98 111.148 11.532 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.590 11.632 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 98 110.703 10.732 -8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 98 109.606 12.118 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 98 111.176 12.338 -8.815 1.00 0.00 H new ATOM 1593 N PRO A 99 108.992 14.275 -5.664 1.00 0.00 N ATOM 1594 CA PRO A 99 107.916 14.553 -4.706 1.00 0.00 C ATOM 1595 C PRO A 99 107.539 13.324 -3.885 1.00 0.00 C ATOM 1596 O PRO A 99 108.259 12.326 -3.877 1.00 0.00 O ATOM 1597 CB PRO A 99 106.742 14.987 -5.592 1.00 0.00 C ATOM 1598 CG PRO A 99 107.063 14.457 -6.948 1.00 0.00 C ATOM 1599 CD PRO A 99 108.560 14.481 -7.054 1.00 0.00 C ATOM 0 HA PRO A 99 108.211 15.305 -3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 99 105.799 14.583 -5.224 1.00 0.00 H new ATOM 0 HB3 PRO A 99 106.639 16.072 -5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 99 106.679 13.445 -7.073 1.00 0.00 H new ATOM 0 HG3 PRO A 99 106.606 15.070 -7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 99 108.931 13.696 -7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 99 108.921 15.429 -7.453 1.00 0.00 H new ATOM 1607 N TYR A 100 106.408 13.406 -3.192 1.00 0.00 N ATOM 1608 CA TYR A 100 105.936 12.302 -2.364 1.00 0.00 C ATOM 1609 C TYR A 100 104.935 11.436 -3.123 1.00 0.00 C ATOM 1610 O TYR A 100 105.029 10.208 -3.113 1.00 0.00 O ATOM 1611 CB TYR A 100 105.291 12.838 -1.084 1.00 0.00 C ATOM 1612 CG TYR A 100 103.819 13.153 -1.235 1.00 0.00 C ATOM 1613 CD1 TYR A 100 103.399 14.336 -1.829 1.00 0.00 C ATOM 1614 CD2 TYR A 100 102.850 12.264 -0.786 1.00 0.00 C ATOM 1615 CE1 TYR A 100 102.055 14.624 -1.972 1.00 0.00 C ATOM 1616 CE2 TYR A 100 101.505 12.545 -0.925 1.00 0.00 C ATOM 1617 CZ TYR A 100 101.112 13.726 -1.519 1.00 0.00 C ATOM 1618 OH TYR A 100 99.773 14.009 -1.659 1.00 0.00 O ATOM 0 H TYR A 100 105.801 14.226 -3.187 1.00 0.00 H new ATOM 0 HA TYR A 100 106.797 11.686 -2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.417 12.104 -0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 100 105.817 13.740 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 100 104.135 15.042 -2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 100 103.154 11.338 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 100 101.745 15.548 -2.437 1.00 0.00 H new ATOM 0 HE2 TYR A 100 100.765 11.843 -0.570 1.00 0.00 H new ATOM 0 HH TYR A 100 99.243 13.273 -1.289 1.00 0.00 H new ATOM 1628 N LYS A 101 103.975 12.083 -3.777 1.00 0.00 N ATOM 1629 CA LYS A 101 102.953 11.371 -4.537 1.00 0.00 C ATOM 1630 C LYS A 101 103.582 10.501 -5.621 1.00 0.00 C ATOM 1631 O LYS A 101 103.079 9.422 -5.933 1.00 0.00 O ATOM 1632 CB LYS A 101 101.975 12.363 -5.168 1.00 0.00 C ATOM 1633 CG LYS A 101 100.551 12.223 -4.654 1.00 0.00 C ATOM 1634 CD LYS A 101 99.672 11.478 -5.645 1.00 0.00 C ATOM 1635 CE LYS A 101 98.430 10.914 -4.973 1.00 0.00 C ATOM 1636 NZ LYS A 101 98.694 10.514 -3.563 1.00 0.00 N ATOM 0 H LYS A 101 103.883 13.099 -3.796 1.00 0.00 H new ATOM 0 HA LYS A 101 102.412 10.723 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 101 102.324 13.377 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 101 101.977 12.225 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 101 100.557 11.693 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 101 100.132 13.212 -4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 101 99.378 12.151 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 101 100.241 10.667 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 101 97.635 11.659 -4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 101 98.074 10.050 -5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 97.953 9.857 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 99.621 10.046 -3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 98.692 11.359 -2.956 1.00 0.00 H new ATOM 1650 N VAL A 102 104.683 10.977 -6.191 1.00 0.00 N ATOM 1651 CA VAL A 102 105.378 10.240 -7.240 1.00 0.00 C ATOM 1652 C VAL A 102 105.902 8.906 -6.720 1.00 0.00 C ATOM 1653 O VAL A 102 105.890 7.903 -7.433 1.00 0.00 O ATOM 1654 CB VAL A 102 106.556 11.052 -7.809 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.613 11.279 -6.741 1.00 0.00 C ATOM 1656 CG2 VAL A 102 107.152 10.350 -9.020 1.00 0.00 C ATOM 0 H VAL A 102 105.113 11.869 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 102 104.652 10.059 -8.033 1.00 0.00 H new ATOM 0 HB VAL A 102 106.183 12.025 -8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.438 11.854 -7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 102 107.176 11.828 -5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 102 107.985 10.318 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 102 107.983 10.938 -9.409 1.00 0.00 H new ATOM 0 HG22 VAL A 102 107.511 9.363 -8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 102 106.389 10.245 -9.792 1.00 0.00 H new ATOM 1666 N ALA A 103 106.362 8.903 -5.473 1.00 0.00 N ATOM 1667 CA ALA A 103 106.891 7.692 -4.859 1.00 0.00 C ATOM 1668 C ALA A 103 105.816 6.616 -4.753 1.00 0.00 C ATOM 1669 O ALA A 103 106.116 5.423 -4.756 1.00 0.00 O ATOM 1670 CB ALA A 103 107.465 8.005 -3.485 1.00 0.00 C ATOM 0 H ALA A 103 106.379 9.725 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 103 107.689 7.310 -5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 103 107.857 7.091 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.269 8.734 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.681 8.414 -2.848 1.00 0.00 H new ATOM 1676 N ILE A 104 104.561 7.048 -4.662 1.00 0.00 N ATOM 1677 CA ILE A 104 103.438 6.123 -4.554 1.00 0.00 C ATOM 1678 C ILE A 104 103.391 5.179 -5.749 1.00 0.00 C ATOM 1679 O ILE A 104 103.034 4.008 -5.618 1.00 0.00 O ATOM 1680 CB ILE A 104 102.094 6.874 -4.466 1.00 0.00 C ATOM 1681 CG1 ILE A 104 101.865 7.405 -3.049 1.00 0.00 C ATOM 1682 CG2 ILE A 104 100.951 5.963 -4.884 1.00 0.00 C ATOM 1683 CD1 ILE A 104 103.072 8.102 -2.459 1.00 0.00 C ATOM 0 H ILE A 104 104.297 8.033 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 104 103.589 5.550 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 104 102.128 7.723 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 104 101.025 8.100 -3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.582 6.576 -2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.009 6.507 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.106 5.632 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 104 100.917 5.096 -4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 104 102.835 8.451 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 104 103.908 7.405 -2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.343 8.953 -3.084 1.00 0.00 H new ATOM 1695 N ASN A 105 103.752 5.702 -6.913 1.00 0.00 N ATOM 1696 CA ASN A 105 103.751 4.914 -8.141 1.00 0.00 C ATOM 1697 C ASN A 105 104.685 3.711 -8.028 1.00 0.00 C ATOM 1698 O ASN A 105 104.457 2.677 -8.656 1.00 0.00 O ATOM 1699 CB ASN A 105 104.167 5.785 -9.328 1.00 0.00 C ATOM 1700 CG ASN A 105 103.788 5.166 -10.660 1.00 0.00 C ATOM 1701 OD1 ASN A 105 104.075 3.997 -10.918 1.00 0.00 O ATOM 1702 ND2 ASN A 105 103.139 5.950 -11.513 1.00 0.00 N ATOM 0 H ASN A 105 104.050 6.670 -7.034 1.00 0.00 H new ATOM 0 HA ASN A 105 102.738 4.545 -8.301 1.00 0.00 H new ATOM 0 HB2 ASN A 105 103.697 6.764 -9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.245 5.945 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 105 102.857 5.589 -12.425 1.00 0.00 H new ATOM 0 HD22 ASN A 105 102.922 6.913 -11.257 1.00 0.00 H new ATOM 1709 N GLU A 106 105.738 3.855 -7.231 1.00 0.00 N ATOM 1710 CA GLU A 106 106.709 2.781 -7.045 1.00 0.00 C ATOM 1711 C GLU A 106 106.145 1.667 -6.167 1.00 0.00 C ATOM 1712 O GLU A 106 106.484 0.496 -6.341 1.00 0.00 O ATOM 1713 CB GLU A 106 107.994 3.332 -6.424 1.00 0.00 C ATOM 1714 CG GLU A 106 109.010 3.807 -7.450 1.00 0.00 C ATOM 1715 CD GLU A 106 109.419 5.252 -7.240 1.00 0.00 C ATOM 1716 OE1 GLU A 106 108.522 6.111 -7.114 1.00 0.00 O ATOM 1717 OE2 GLU A 106 110.638 5.524 -7.200 1.00 0.00 O ATOM 0 H GLU A 106 105.942 4.704 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 106 106.933 2.361 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 106 107.742 4.162 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 106 108.449 2.559 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 106 109.895 3.172 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 106 108.591 3.693 -8.450 1.00 0.00 H new ATOM 1724 N ALA A 107 105.279 2.034 -5.228 1.00 0.00 N ATOM 1725 CA ALA A 107 104.671 1.065 -4.331 1.00 0.00 C ATOM 1726 C ALA A 107 104.280 -0.191 -5.091 1.00 0.00 C ATOM 1727 O ALA A 107 104.906 -1.242 -4.947 1.00 0.00 O ATOM 1728 CB ALA A 107 103.455 1.676 -3.650 1.00 0.00 C ATOM 0 H ALA A 107 104.984 2.998 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 107 105.399 0.790 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.006 0.943 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.760 2.552 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 107 102.726 1.972 -4.404 1.00 0.00 H new ATOM 1734 N ILE A 108 103.239 -0.071 -5.904 1.00 0.00 N ATOM 1735 CA ILE A 108 102.751 -1.192 -6.691 1.00 0.00 C ATOM 1736 C ILE A 108 103.888 -1.934 -7.384 1.00 0.00 C ATOM 1737 O ILE A 108 103.881 -3.162 -7.464 1.00 0.00 O ATOM 1738 CB ILE A 108 101.734 -0.735 -7.754 1.00 0.00 C ATOM 1739 CG1 ILE A 108 100.764 0.285 -7.157 1.00 0.00 C ATOM 1740 CG2 ILE A 108 100.977 -1.932 -8.311 1.00 0.00 C ATOM 1741 CD1 ILE A 108 99.487 0.443 -7.953 1.00 0.00 C ATOM 0 H ILE A 108 102.716 0.795 -6.035 1.00 0.00 H new ATOM 0 HA ILE A 108 102.261 -1.867 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 108 102.274 -0.259 -8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.514 -0.016 -6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.262 1.252 -7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.262 -1.593 -9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 108 101.681 -2.627 -8.769 1.00 0.00 H new ATOM 0 HG23 ILE A 108 100.445 -2.434 -7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 108 98.847 1.182 -7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 108 99.727 0.774 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 108 98.966 -0.513 -7.999 1.00 0.00 H new ATOM 1753 N GLU A 109 104.859 -1.184 -7.890 1.00 0.00 N ATOM 1754 CA GLU A 109 105.996 -1.778 -8.584 1.00 0.00 C ATOM 1755 C GLU A 109 106.828 -2.641 -7.642 1.00 0.00 C ATOM 1756 O GLU A 109 107.171 -3.779 -7.966 1.00 0.00 O ATOM 1757 CB GLU A 109 106.874 -0.683 -9.195 1.00 0.00 C ATOM 1758 CG GLU A 109 106.425 -0.243 -10.579 1.00 0.00 C ATOM 1759 CD GLU A 109 107.514 0.492 -11.337 1.00 0.00 C ATOM 1760 OE1 GLU A 109 108.641 0.594 -10.808 1.00 0.00 O ATOM 1761 OE2 GLU A 109 107.239 0.965 -12.459 1.00 0.00 O ATOM 0 H GLU A 109 104.883 -0.166 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 109 105.607 -2.415 -9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 109 106.876 0.182 -8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 109 107.901 -1.043 -9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 109 106.115 -1.117 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 109 105.552 0.403 -10.486 1.00 0.00 H new ATOM 1768 N LEU A 110 107.153 -2.092 -6.479 1.00 0.00 N ATOM 1769 CA LEU A 110 107.954 -2.805 -5.492 1.00 0.00 C ATOM 1770 C LEU A 110 107.130 -3.868 -4.771 1.00 0.00 C ATOM 1771 O LEU A 110 107.637 -4.574 -3.899 1.00 0.00 O ATOM 1772 CB LEU A 110 108.539 -1.815 -4.484 1.00 0.00 C ATOM 1773 CG LEU A 110 109.047 -0.504 -5.086 1.00 0.00 C ATOM 1774 CD1 LEU A 110 110.071 0.144 -4.167 1.00 0.00 C ATOM 1775 CD2 LEU A 110 109.644 -0.749 -6.464 1.00 0.00 C ATOM 0 H LEU A 110 106.874 -1.153 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 110 108.766 -3.311 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 110 107.777 -1.584 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.362 -2.299 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 110 108.203 0.177 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 110 110.421 1.075 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 110 109.612 0.353 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 110 110.915 -0.532 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 110 110.001 0.194 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.477 -1.447 -6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 110 108.882 -1.169 -7.121 1.00 0.00 H new ATOM 1787 N ALA A 111 105.861 -3.986 -5.143 1.00 0.00 N ATOM 1788 CA ALA A 111 104.978 -4.970 -4.532 1.00 0.00 C ATOM 1789 C ALA A 111 104.322 -5.851 -5.591 1.00 0.00 C ATOM 1790 O ALA A 111 103.487 -6.699 -5.275 1.00 0.00 O ATOM 1791 CB ALA A 111 103.922 -4.280 -3.684 1.00 0.00 C ATOM 0 H ALA A 111 105.422 -3.413 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 111 105.580 -5.611 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.270 -5.029 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 111 104.407 -3.702 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.330 -3.613 -4.311 1.00 0.00 H new ATOM 1797 N LYS A 112 104.707 -5.648 -6.847 1.00 0.00 N ATOM 1798 CA LYS A 112 104.158 -6.429 -7.950 1.00 0.00 C ATOM 1799 C LYS A 112 105.258 -7.214 -8.654 1.00 0.00 C ATOM 1800 O LYS A 112 105.012 -8.278 -9.222 1.00 0.00 O ATOM 1801 CB LYS A 112 103.447 -5.512 -8.947 1.00 0.00 C ATOM 1802 CG LYS A 112 104.397 -4.733 -9.842 1.00 0.00 C ATOM 1803 CD LYS A 112 103.741 -3.475 -10.388 1.00 0.00 C ATOM 1804 CE LYS A 112 102.474 -3.800 -11.162 1.00 0.00 C ATOM 1805 NZ LYS A 112 102.076 -2.687 -12.069 1.00 0.00 N ATOM 0 H LYS A 112 105.396 -4.950 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 112 103.435 -7.136 -7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 112 102.784 -6.112 -9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 112 102.820 -4.809 -8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.291 -4.464 -9.279 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.720 -5.365 -10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 112 103.503 -2.801 -9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 112 104.441 -2.951 -11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 112 102.628 -4.707 -11.746 1.00 0.00 H new ATOM 0 HE3 LYS A 112 101.664 -4.006 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 101.208 -2.948 -12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 101.904 -1.828 -11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 102.838 -2.507 -12.753 1.00 0.00 H new ATOM 1819 N SER A 113 106.474 -6.680 -8.610 1.00 0.00 N ATOM 1820 CA SER A 113 107.619 -7.325 -9.240 1.00 0.00 C ATOM 1821 C SER A 113 108.666 -7.706 -8.199 1.00 0.00 C ATOM 1822 O SER A 113 109.499 -8.582 -8.432 1.00 0.00 O ATOM 1823 CB SER A 113 108.239 -6.395 -10.284 1.00 0.00 C ATOM 1824 OG SER A 113 108.902 -7.133 -11.296 1.00 0.00 O ATOM 0 H SER A 113 106.692 -5.800 -8.143 1.00 0.00 H new ATOM 0 HA SER A 113 107.271 -8.234 -9.731 1.00 0.00 H new ATOM 0 HB2 SER A 113 107.461 -5.776 -10.731 1.00 0.00 H new ATOM 0 HB3 SER A 113 108.945 -5.720 -9.800 1.00 0.00 H new ATOM 0 HG SER A 113 109.288 -6.515 -11.952 1.00 0.00 H new ATOM 1830 N PHE A 114 108.618 -7.038 -7.051 1.00 0.00 N ATOM 1831 CA PHE A 114 109.563 -7.300 -5.972 1.00 0.00 C ATOM 1832 C PHE A 114 108.949 -8.209 -4.911 1.00 0.00 C ATOM 1833 O PHE A 114 109.631 -8.641 -3.981 1.00 0.00 O ATOM 1834 CB PHE A 114 110.014 -5.983 -5.340 1.00 0.00 C ATOM 1835 CG PHE A 114 110.906 -5.167 -6.232 1.00 0.00 C ATOM 1836 CD1 PHE A 114 110.373 -4.433 -7.280 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.275 -5.136 -6.025 1.00 0.00 C ATOM 1838 CE1 PHE A 114 111.189 -3.683 -8.105 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.097 -4.387 -6.847 1.00 0.00 C ATOM 1840 CZ PHE A 114 112.553 -3.660 -7.888 1.00 0.00 C ATOM 0 H PHE A 114 107.934 -6.310 -6.844 1.00 0.00 H new ATOM 0 HA PHE A 114 110.429 -7.810 -6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.135 -5.393 -5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.540 -6.197 -4.410 1.00 0.00 H new ATOM 0 HD1 PHE A 114 109.307 -4.447 -7.454 1.00 0.00 H new ATOM 0 HD2 PHE A 114 112.705 -5.703 -5.213 1.00 0.00 H new ATOM 0 HE1 PHE A 114 110.761 -3.116 -8.918 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.163 -4.370 -6.675 1.00 0.00 H new ATOM 0 HZ PHE A 114 113.193 -3.075 -8.531 1.00 0.00 H new ATOM 1850 N GLY A 115 107.660 -8.497 -5.055 1.00 0.00 N ATOM 1851 CA GLY A 115 106.979 -9.354 -4.102 1.00 0.00 C ATOM 1852 C GLY A 115 106.046 -10.343 -4.774 1.00 0.00 C ATOM 1853 O GLY A 115 106.495 -11.274 -5.441 1.00 0.00 O ATOM 0 H GLY A 115 107.074 -8.152 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.718 -9.898 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.410 -8.738 -3.406 1.00 0.00 H new ATOM 1857 N ALA A 116 104.744 -10.140 -4.597 1.00 0.00 N ATOM 1858 CA ALA A 116 103.746 -11.020 -5.192 1.00 0.00 C ATOM 1859 C ALA A 116 102.636 -10.217 -5.863 1.00 0.00 C ATOM 1860 O ALA A 116 102.599 -8.991 -5.766 1.00 0.00 O ATOM 1861 CB ALA A 116 103.164 -11.947 -4.135 1.00 0.00 C ATOM 0 H ALA A 116 104.356 -9.374 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 116 104.237 -11.621 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 116 102.420 -12.599 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.961 -12.553 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 116 102.694 -11.354 -3.350 1.00 0.00 H new ATOM 1867 N GLU A 117 101.734 -10.917 -6.544 1.00 0.00 N ATOM 1868 CA GLU A 117 100.623 -10.267 -7.230 1.00 0.00 C ATOM 1869 C GLU A 117 99.365 -10.287 -6.369 1.00 0.00 C ATOM 1870 O GLU A 117 99.442 -10.340 -5.142 1.00 0.00 O ATOM 1871 CB GLU A 117 100.351 -10.955 -8.570 1.00 0.00 C ATOM 1872 CG GLU A 117 100.180 -9.985 -9.727 1.00 0.00 C ATOM 1873 CD GLU A 117 99.021 -10.355 -10.632 1.00 0.00 C ATOM 1874 OE1 GLU A 117 97.917 -10.612 -10.107 1.00 0.00 O ATOM 1875 OE2 GLU A 117 99.217 -10.388 -11.865 1.00 0.00 O ATOM 0 H GLU A 117 101.751 -11.933 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 117 100.899 -9.228 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 117 101.174 -11.634 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 117 99.451 -11.564 -8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 117 100.023 -8.981 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 117 101.099 -9.958 -10.312 1.00 0.00 H new ATOM 1882 N ASP A 118 98.207 -10.244 -7.020 1.00 0.00 N ATOM 1883 CA ASP A 118 96.932 -10.256 -6.312 1.00 0.00 C ATOM 1884 C ASP A 118 96.786 -9.015 -5.437 1.00 0.00 C ATOM 1885 O ASP A 118 96.017 -8.107 -5.754 1.00 0.00 O ATOM 1886 CB ASP A 118 96.813 -11.517 -5.454 1.00 0.00 C ATOM 1887 CG ASP A 118 97.195 -12.771 -6.215 1.00 0.00 C ATOM 1888 OD1 ASP A 118 96.853 -12.866 -7.413 1.00 0.00 O ATOM 1889 OD2 ASP A 118 97.836 -13.658 -5.614 1.00 0.00 O ATOM 0 H ASP A 118 98.125 -10.201 -8.036 1.00 0.00 H new ATOM 0 HA ASP A 118 96.132 -10.253 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 118 97.453 -11.418 -4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 118 95.789 -11.612 -5.093 1.00 0.00 H new ATOM 1894 N SER A 119 97.532 -8.981 -4.338 1.00 0.00 N ATOM 1895 CA SER A 119 97.489 -7.849 -3.419 1.00 0.00 C ATOM 1896 C SER A 119 98.612 -6.864 -3.724 1.00 0.00 C ATOM 1897 O SER A 119 99.432 -6.554 -2.859 1.00 0.00 O ATOM 1898 CB SER A 119 97.598 -8.335 -1.973 1.00 0.00 C ATOM 1899 OG SER A 119 97.559 -9.750 -1.905 1.00 0.00 O ATOM 0 H SER A 119 98.174 -9.724 -4.062 1.00 0.00 H new ATOM 0 HA SER A 119 96.535 -7.339 -3.551 1.00 0.00 H new ATOM 0 HB2 SER A 119 98.527 -7.972 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 119 96.782 -7.917 -1.383 1.00 0.00 H new ATOM 0 HG SER A 119 97.632 -10.035 -0.970 1.00 0.00 H new ATOM 1905 N HIS A 120 98.645 -6.377 -4.960 1.00 0.00 N ATOM 1906 CA HIS A 120 99.669 -5.429 -5.382 1.00 0.00 C ATOM 1907 C HIS A 120 99.145 -3.998 -5.335 1.00 0.00 C ATOM 1908 O HIS A 120 99.836 -3.089 -4.878 1.00 0.00 O ATOM 1909 CB HIS A 120 100.148 -5.762 -6.796 1.00 0.00 C ATOM 1910 CG HIS A 120 99.066 -5.682 -7.828 1.00 0.00 C ATOM 1911 ND1 HIS A 120 98.407 -6.791 -8.317 1.00 0.00 N ATOM 1912 CD2 HIS A 120 98.525 -4.616 -8.465 1.00 0.00 C ATOM 1913 CE1 HIS A 120 97.511 -6.411 -9.210 1.00 0.00 C ATOM 1914 NE2 HIS A 120 97.562 -5.096 -9.317 1.00 0.00 N ATOM 0 H HIS A 120 97.974 -6.624 -5.687 1.00 0.00 H new ATOM 0 HA HIS A 120 100.508 -5.510 -4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 120 100.951 -5.078 -7.069 1.00 0.00 H new ATOM 0 HB3 HIS A 120 100.570 -6.767 -6.801 1.00 0.00 H new ATOM 0 HD2 HIS A 120 98.800 -3.581 -8.328 1.00 0.00 H new ATOM 0 HE1 HIS A 120 96.849 -7.065 -9.759 1.00 0.00 H new ATOM 0 HE2 HIS A 120 96.980 -4.529 -9.933 1.00 0.00 H new ATOM 1923 N LYS A 121 97.920 -3.804 -5.814 1.00 0.00 N ATOM 1924 CA LYS A 121 97.307 -2.480 -5.829 1.00 0.00 C ATOM 1925 C LYS A 121 97.191 -1.913 -4.417 1.00 0.00 C ATOM 1926 O LYS A 121 97.351 -0.710 -4.206 1.00 0.00 O ATOM 1927 CB LYS A 121 95.924 -2.544 -6.480 1.00 0.00 C ATOM 1928 CG LYS A 121 94.879 -3.239 -5.622 1.00 0.00 C ATOM 1929 CD LYS A 121 93.469 -2.899 -6.078 1.00 0.00 C ATOM 1930 CE LYS A 121 92.737 -2.062 -5.042 1.00 0.00 C ATOM 1931 NZ LYS A 121 91.864 -1.034 -5.674 1.00 0.00 N ATOM 0 H LYS A 121 97.333 -4.545 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 121 97.948 -1.819 -6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.587 -1.531 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 121 96.004 -3.066 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 121 95.027 -4.318 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 121 95.007 -2.944 -4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 121 93.511 -2.356 -7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 121 92.914 -3.818 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 121 92.132 -2.713 -4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 121 93.463 -1.572 -4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 91.383 -0.485 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 92.444 -0.397 -6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 91.155 -1.502 -6.274 1.00 0.00 H new ATOM 1945 N PHE A 122 96.913 -2.785 -3.454 1.00 0.00 N ATOM 1946 CA PHE A 122 96.773 -2.368 -2.064 1.00 0.00 C ATOM 1947 C PHE A 122 98.051 -1.702 -1.567 1.00 0.00 C ATOM 1948 O PHE A 122 98.006 -0.778 -0.756 1.00 0.00 O ATOM 1949 CB PHE A 122 96.433 -3.570 -1.181 1.00 0.00 C ATOM 1950 CG PHE A 122 96.438 -3.258 0.288 1.00 0.00 C ATOM 1951 CD1 PHE A 122 97.629 -3.203 0.994 1.00 0.00 C ATOM 1952 CD2 PHE A 122 95.251 -3.019 0.963 1.00 0.00 C ATOM 1953 CE1 PHE A 122 97.637 -2.916 2.345 1.00 0.00 C ATOM 1954 CE2 PHE A 122 95.253 -2.732 2.314 1.00 0.00 C ATOM 1955 CZ PHE A 122 96.447 -2.680 3.006 1.00 0.00 C ATOM 0 H PHE A 122 96.780 -3.784 -3.610 1.00 0.00 H new ATOM 0 HA PHE A 122 95.961 -1.644 -2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 122 95.450 -3.949 -1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 122 97.149 -4.368 -1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 122 98.562 -3.387 0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 122 94.314 -3.058 0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 122 98.572 -2.876 2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 122 94.322 -2.548 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 122 96.450 -2.455 4.062 1.00 0.00 H new ATOM 1965 N VAL A 123 99.188 -2.175 -2.063 1.00 0.00 N ATOM 1966 CA VAL A 123 100.478 -1.621 -1.675 1.00 0.00 C ATOM 1967 C VAL A 123 100.576 -0.147 -2.046 1.00 0.00 C ATOM 1968 O VAL A 123 101.115 0.662 -1.293 1.00 0.00 O ATOM 1969 CB VAL A 123 101.644 -2.381 -2.333 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.323 -3.863 -2.445 1.00 0.00 C ATOM 1971 CG2 VAL A 123 101.973 -1.794 -3.698 1.00 0.00 C ATOM 0 H VAL A 123 99.242 -2.941 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 123 100.552 -1.729 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 123 102.523 -2.270 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.160 -4.382 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 123 101.151 -4.274 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 123 100.428 -3.997 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 123 102.800 -2.348 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 123 101.099 -1.866 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.256 -0.748 -3.585 1.00 0.00 H new ATOM 1981 N ASN A 124 100.055 0.198 -3.214 1.00 0.00 N ATOM 1982 CA ASN A 124 100.092 1.576 -3.684 1.00 0.00 C ATOM 1983 C ASN A 124 99.444 2.511 -2.671 1.00 0.00 C ATOM 1984 O ASN A 124 99.982 3.575 -2.358 1.00 0.00 O ATOM 1985 CB ASN A 124 99.379 1.697 -5.032 1.00 0.00 C ATOM 1986 CG ASN A 124 98.213 2.664 -4.984 1.00 0.00 C ATOM 1987 OD1 ASN A 124 97.060 2.275 -5.170 1.00 0.00 O ATOM 1988 ND2 ASN A 124 98.508 3.935 -4.734 1.00 0.00 N ATOM 0 H ASN A 124 99.602 -0.455 -3.853 1.00 0.00 H new ATOM 0 HA ASN A 124 101.136 1.864 -3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.091 2.028 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 124 99.020 0.715 -5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 124 97.765 4.632 -4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 124 99.478 4.214 -4.586 1.00 0.00 H new ATOM 1995 N GLY A 125 98.288 2.107 -2.159 1.00 0.00 N ATOM 1996 CA GLY A 125 97.584 2.926 -1.195 1.00 0.00 C ATOM 1997 C GLY A 125 98.391 3.174 0.062 1.00 0.00 C ATOM 1998 O GLY A 125 98.303 4.249 0.655 1.00 0.00 O ATOM 0 H GLY A 125 97.827 1.228 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.330 3.882 -1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.645 2.441 -0.929 1.00 0.00 H new ATOM 2002 N VAL A 126 99.192 2.194 0.467 1.00 0.00 N ATOM 2003 CA VAL A 126 100.012 2.350 1.660 1.00 0.00 C ATOM 2004 C VAL A 126 100.940 3.544 1.510 1.00 0.00 C ATOM 2005 O VAL A 126 101.138 4.312 2.451 1.00 0.00 O ATOM 2006 CB VAL A 126 100.867 1.103 1.955 1.00 0.00 C ATOM 2007 CG1 VAL A 126 100.191 -0.160 1.444 1.00 0.00 C ATOM 2008 CG2 VAL A 126 102.260 1.268 1.361 1.00 0.00 C ATOM 0 H VAL A 126 99.290 1.296 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 126 99.323 2.500 2.491 1.00 0.00 H new ATOM 0 HB VAL A 126 100.967 1.000 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.818 -1.024 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 126 99.224 -0.278 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 126 100.046 -0.085 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.855 0.380 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 126 102.182 1.400 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.741 2.142 1.799 1.00 0.00 H new ATOM 2018 N LEU A 127 101.504 3.700 0.316 1.00 0.00 N ATOM 2019 CA LEU A 127 102.407 4.807 0.048 1.00 0.00 C ATOM 2020 C LEU A 127 101.647 6.124 0.033 1.00 0.00 C ATOM 2021 O LEU A 127 102.188 7.168 0.396 1.00 0.00 O ATOM 2022 CB LEU A 127 103.139 4.600 -1.278 1.00 0.00 C ATOM 2023 CG LEU A 127 104.639 4.327 -1.149 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.340 4.574 -2.473 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.249 5.194 -0.058 1.00 0.00 C ATOM 0 H LEU A 127 101.351 3.076 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 127 103.148 4.843 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 127 102.677 3.766 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 127 102.997 5.486 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 127 104.774 3.281 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.406 4.375 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 127 104.924 3.913 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.194 5.611 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.316 4.985 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 127 105.102 6.246 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.767 4.973 0.894 1.00 0.00 H new ATOM 2037 N ASP A 128 100.385 6.070 -0.383 1.00 0.00 N ATOM 2038 CA ASP A 128 99.557 7.265 -0.434 1.00 0.00 C ATOM 2039 C ASP A 128 99.397 7.848 0.962 1.00 0.00 C ATOM 2040 O ASP A 128 99.539 9.051 1.162 1.00 0.00 O ATOM 2041 CB ASP A 128 98.186 6.940 -1.029 1.00 0.00 C ATOM 2042 CG ASP A 128 97.314 8.171 -1.180 1.00 0.00 C ATOM 2043 OD1 ASP A 128 97.495 8.907 -2.173 1.00 0.00 O ATOM 2044 OD2 ASP A 128 96.451 8.398 -0.307 1.00 0.00 O ATOM 0 H ASP A 128 99.918 5.216 -0.687 1.00 0.00 H new ATOM 0 HA ASP A 128 100.046 8.001 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.318 6.470 -2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.679 6.215 -0.392 1.00 0.00 H new ATOM 2049 N LYS A 129 99.105 6.980 1.925 1.00 0.00 N ATOM 2050 CA LYS A 129 98.940 7.397 3.311 1.00 0.00 C ATOM 2051 C LYS A 129 100.291 7.578 4.004 1.00 0.00 C ATOM 2052 O LYS A 129 100.493 8.530 4.759 1.00 0.00 O ATOM 2053 CB LYS A 129 98.098 6.373 4.074 1.00 0.00 C ATOM 2054 CG LYS A 129 97.019 5.719 3.227 1.00 0.00 C ATOM 2055 CD LYS A 129 96.152 6.757 2.532 1.00 0.00 C ATOM 2056 CE LYS A 129 94.950 6.117 1.856 1.00 0.00 C ATOM 2057 NZ LYS A 129 93.672 6.497 2.518 1.00 0.00 N ATOM 0 H LYS A 129 98.978 5.980 1.769 1.00 0.00 H new ATOM 0 HA LYS A 129 98.427 8.359 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 129 98.755 5.599 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.630 6.864 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.482 5.072 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.395 5.085 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 129 95.812 7.494 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 129 96.746 7.291 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 129 94.920 6.418 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 129 95.059 5.033 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 92.877 6.040 2.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 93.690 6.187 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 93.555 7.530 2.480 1.00 0.00 H new ATOM 2071 N ALA A 130 101.204 6.637 3.763 1.00 0.00 N ATOM 2072 CA ALA A 130 102.529 6.659 4.381 1.00 0.00 C ATOM 2073 C ALA A 130 103.440 7.749 3.814 1.00 0.00 C ATOM 2074 O ALA A 130 104.353 8.212 4.496 1.00 0.00 O ATOM 2075 CB ALA A 130 103.188 5.297 4.226 1.00 0.00 C ATOM 0 H ALA A 130 101.048 5.845 3.140 1.00 0.00 H new ATOM 0 HA ALA A 130 102.384 6.892 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 130 104.175 5.316 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.575 4.539 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.287 5.059 3.167 1.00 0.00 H new ATOM 2081 N ALA A 131 103.213 8.138 2.566 1.00 0.00 N ATOM 2082 CA ALA A 131 104.046 9.152 1.924 1.00 0.00 C ATOM 2083 C ALA A 131 103.876 10.532 2.560 1.00 0.00 C ATOM 2084 O ALA A 131 104.859 11.200 2.879 1.00 0.00 O ATOM 2085 CB ALA A 131 103.749 9.212 0.434 1.00 0.00 C ATOM 0 H ALA A 131 102.464 7.771 1.979 1.00 0.00 H new ATOM 0 HA ALA A 131 105.085 8.858 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.377 9.972 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 131 103.957 8.242 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.700 9.465 0.282 1.00 0.00 H new ATOM 2091 N PRO A 132 102.627 10.982 2.741 1.00 0.00 N ATOM 2092 CA PRO A 132 102.332 12.295 3.328 1.00 0.00 C ATOM 2093 C PRO A 132 102.559 12.338 4.837 1.00 0.00 C ATOM 2094 O PRO A 132 101.711 12.819 5.589 1.00 0.00 O ATOM 2095 CB PRO A 132 100.853 12.493 3.002 1.00 0.00 C ATOM 2096 CG PRO A 132 100.301 11.112 2.929 1.00 0.00 C ATOM 2097 CD PRO A 132 101.403 10.253 2.376 1.00 0.00 C ATOM 0 HA PRO A 132 102.985 13.073 2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.352 13.081 3.771 1.00 0.00 H new ATOM 0 HB3 PRO A 132 100.722 13.024 2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 132 99.992 10.763 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.420 11.077 2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.388 9.253 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.315 10.134 1.296 1.00 0.00 H new ATOM 2105 N VAL A 133 103.714 11.847 5.271 1.00 0.00 N ATOM 2106 CA VAL A 133 104.065 11.843 6.685 1.00 0.00 C ATOM 2107 C VAL A 133 105.502 12.313 6.866 1.00 0.00 C ATOM 2108 O VAL A 133 105.758 13.323 7.522 1.00 0.00 O ATOM 2109 CB VAL A 133 103.903 10.446 7.308 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.691 10.348 8.605 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.433 10.135 7.545 1.00 0.00 C ATOM 0 H VAL A 133 104.426 11.445 4.661 1.00 0.00 H new ATOM 0 HA VAL A 133 103.383 12.524 7.195 1.00 0.00 H new ATOM 0 HB VAL A 133 104.299 9.708 6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 133 104.565 9.353 9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.747 10.526 8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 133 104.326 11.095 9.310 1.00 0.00 H new ATOM 0 HG21 VAL A 133 102.338 9.143 7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 133 102.009 10.876 8.223 1.00 0.00 H new ATOM 0 HG23 VAL A 133 101.898 10.163 6.596 1.00 0.00 H new ATOM 2121 N ILE A 134 106.436 11.589 6.256 1.00 0.00 N ATOM 2122 CA ILE A 134 107.841 11.945 6.325 1.00 0.00 C ATOM 2123 C ILE A 134 108.056 13.321 5.705 1.00 0.00 C ATOM 2124 O ILE A 134 109.046 13.998 5.981 1.00 0.00 O ATOM 2125 CB ILE A 134 108.708 10.913 5.580 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.711 10.269 6.534 1.00 0.00 C ATOM 2127 CG2 ILE A 134 109.428 11.570 4.414 1.00 0.00 C ATOM 2128 CD1 ILE A 134 109.391 8.833 6.882 1.00 0.00 C ATOM 0 H ILE A 134 106.240 10.751 5.708 1.00 0.00 H new ATOM 0 HA ILE A 134 108.137 11.959 7.374 1.00 0.00 H new ATOM 0 HB ILE A 134 108.056 10.132 5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.703 10.311 6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.752 10.855 7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 134 110.037 10.828 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 134 108.696 11.985 3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 134 110.069 12.369 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 134 110.149 8.446 7.563 1.00 0.00 H new ATOM 0 HD12 ILE A 134 108.413 8.784 7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 134 109.380 8.232 5.973 1.00 0.00 H new ATOM 2140 N ARG A 135 107.103 13.724 4.868 1.00 0.00 N ATOM 2141 CA ARG A 135 107.150 15.017 4.199 1.00 0.00 C ATOM 2142 C ARG A 135 105.740 15.583 4.051 1.00 0.00 C ATOM 2143 O ARG A 135 105.036 15.281 3.087 1.00 0.00 O ATOM 2144 CB ARG A 135 107.809 14.883 2.824 1.00 0.00 C ATOM 2145 CG ARG A 135 107.634 16.109 1.943 1.00 0.00 C ATOM 2146 CD ARG A 135 106.862 15.780 0.675 1.00 0.00 C ATOM 2147 NE ARG A 135 107.749 15.540 -0.460 1.00 0.00 N ATOM 2148 CZ ARG A 135 108.282 16.510 -1.196 1.00 0.00 C ATOM 2149 NH1 ARG A 135 108.026 17.779 -0.910 1.00 0.00 N ATOM 2150 NH2 ARG A 135 109.074 16.213 -2.217 1.00 0.00 N ATOM 0 H ARG A 135 106.282 13.165 4.637 1.00 0.00 H new ATOM 0 HA ARG A 135 107.744 15.701 4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 135 108.874 14.691 2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 135 107.391 14.016 2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 135 107.108 16.885 2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 135 108.612 16.512 1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 135 106.245 14.898 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 135 106.186 16.602 0.439 1.00 0.00 H new ATOM 0 HE ARG A 135 107.972 14.574 -0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 135 107.419 18.012 -0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 135 108.436 18.522 -1.476 1.00 0.00 H new ATOM 0 HH21 ARG A 135 109.276 15.238 -2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 135 109.482 16.959 -2.780 1.00 0.00 H new