USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 888 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 130 ASN : amide:sc= 0.808 K(o=0.18,f=0.87) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.625! K(o=0.18!,f=0.87) USER MOD Set 2.1: A 121 SER OG : rot -49:sc= 0.649 USER MOD Set 2.2: A 125 GLN : amide:sc= -0.698 K(o=-0.049,f=-4.9!) USER MOD Set 3.1: A 101 ASN : amide:sc= -1.81 K(o=-1.7,f=1.9) USER MOD Set 3.2: A 103 SER OG : rot 180:sc= 0.117 USER MOD Set 4.1: A 23 ASN : amide:sc= -1.53 X(o=-1.2,f=-1.3) USER MOD Set 4.2: A 92 SER OG : rot 145:sc= 0.337 USER MOD Set 5.1: A 41 GLN : amide:sc= -2.06 K(o=-2.2,f=-5.1!) USER MOD Set 5.2: A 42 GLN : amide:sc= -0.185 X(o=-2.2,f=-2.6) USER MOD Set 6.1: A 29 SER OG : rot 180:sc= 1.06 USER MOD Set 6.2: A 143 SER OG : rot 118:sc= 2.01 USER MOD Set 7.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0601 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 27 ASN : amide:sc= -0.615 K(o=-0.62,f=-2.4) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 40 SER OG : rot -89:sc= 0.731 USER MOD Single : A 45 SER OG : rot -7:sc= 0.844 USER MOD Single : A 46 SER OG : rot -160:sc= 0.324 USER MOD Single : A 49 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.2) USER MOD Single : A 53 GLN : amide:sc= -3.68! K(o=-3.7!,f=-0.65) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 57 SER OG : rot -95:sc= 1.28 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 65 ASN : amide:sc= -6.83! C(o=-6.8!,f=-12!) USER MOD Single : A 72 GLN : amide:sc= -3.52! C(o=-3.5!,f=-2.3!) USER MOD Single : A 75 SER OG : rot 95:sc= 0.00386 USER MOD Single : A 86 TYR OH : rot 80:sc= -0.801 USER MOD Single : A 88 GLN : amide:sc= -2.69 K(o=-2.7,f=-6!) USER MOD Single : A 91 SER OG : rot 157:sc= -0.0266 USER MOD Single : A 96 ASN : amide:sc= -1.2 K(o=-1.2,f=-6.6!) USER MOD Single : A 104 ASN : amide:sc= -1.24 K(o=-1.2,f=-5.6!) USER MOD Single : A 107 THR OG1 : rot 87:sc= 0.273 USER MOD Single : A 110 SER OG : rot -82:sc= 1.57 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= 1.29 K(o=1.3,f=-0.041) USER MOD Single : A 122 SER OG : rot 180:sc= 0.037 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 128:sc= 1.06 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 91:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.458 -6.364 -12.893 1.00 0.00 N ATOM 124 CA GLY A 12 -1.804 -7.627 -13.190 1.00 0.00 C ATOM 125 C GLY A 12 -0.508 -7.452 -13.964 1.00 0.00 C ATOM 126 O GLY A 12 0.385 -8.292 -13.887 1.00 0.00 O ATOM 0 HA2 GLY A 12 -1.597 -8.152 -12.257 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.483 -8.256 -13.765 1.00 0.00 H new ATOM 130 N ALA A 13 -0.406 -6.361 -14.711 1.00 0.00 N ATOM 131 CA ALA A 13 0.796 -6.076 -15.496 1.00 0.00 C ATOM 132 C ALA A 13 1.971 -5.759 -14.586 1.00 0.00 C ATOM 133 O ALA A 13 3.110 -6.141 -14.858 1.00 0.00 O ATOM 134 CB ALA A 13 0.545 -4.921 -16.448 1.00 0.00 C ATOM 0 H ALA A 13 -1.139 -5.656 -14.792 1.00 0.00 H new ATOM 0 HA ALA A 13 1.041 -6.964 -16.078 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.448 -4.722 -17.024 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.269 -5.179 -17.126 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.275 -4.032 -15.878 1.00 0.00 H new ATOM 140 N SER A 14 1.689 -5.057 -13.506 1.00 0.00 N ATOM 141 CA SER A 14 2.691 -4.703 -12.536 1.00 0.00 C ATOM 142 C SER A 14 3.198 -5.934 -11.778 1.00 0.00 C ATOM 143 O SER A 14 4.272 -5.898 -11.187 1.00 0.00 O ATOM 144 CB SER A 14 2.121 -3.664 -11.573 1.00 0.00 C ATOM 145 OG SER A 14 0.752 -3.928 -11.299 1.00 0.00 O ATOM 0 H SER A 14 0.754 -4.718 -13.281 1.00 0.00 H new ATOM 0 HA SER A 14 3.547 -4.275 -13.059 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.691 -3.672 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.225 -2.668 -12.003 1.00 0.00 H new ATOM 0 HG SER A 14 0.406 -3.252 -10.679 1.00 0.00 H new ATOM 151 N ALA A 15 2.433 -7.030 -11.833 1.00 0.00 N ATOM 152 CA ALA A 15 2.798 -8.269 -11.137 1.00 0.00 C ATOM 153 C ALA A 15 4.104 -8.853 -11.678 1.00 0.00 C ATOM 154 O ALA A 15 4.739 -9.684 -11.035 1.00 0.00 O ATOM 155 CB ALA A 15 1.674 -9.290 -11.231 1.00 0.00 C ATOM 0 H ALA A 15 1.557 -7.084 -12.353 1.00 0.00 H new ATOM 0 HA ALA A 15 2.956 -8.023 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.965 -10.201 -10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.773 -8.882 -10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.478 -9.519 -12.278 1.00 0.00 H new ATOM 161 N GLY A 16 4.493 -8.427 -12.860 1.00 0.00 N ATOM 162 CA GLY A 16 5.736 -8.888 -13.419 1.00 0.00 C ATOM 163 C GLY A 16 6.923 -8.113 -12.872 1.00 0.00 C ATOM 164 O GLY A 16 7.970 -8.678 -12.596 1.00 0.00 O ATOM 0 H GLY A 16 3.972 -7.771 -13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.862 -9.948 -13.200 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.706 -8.788 -14.504 1.00 0.00 H new ATOM 168 N LEU A 17 6.751 -6.822 -12.708 1.00 0.00 N ATOM 169 CA LEU A 17 7.833 -5.955 -12.246 1.00 0.00 C ATOM 170 C LEU A 17 7.960 -5.887 -10.712 1.00 0.00 C ATOM 171 O LEU A 17 9.030 -5.578 -10.202 1.00 0.00 O ATOM 172 CB LEU A 17 7.671 -4.555 -12.846 1.00 0.00 C ATOM 173 CG LEU A 17 6.295 -3.894 -12.649 1.00 0.00 C ATOM 174 CD1 LEU A 17 6.249 -3.060 -11.379 1.00 0.00 C ATOM 175 CD2 LEU A 17 5.914 -3.061 -13.862 1.00 0.00 C ATOM 0 H LEU A 17 5.871 -6.338 -12.886 1.00 0.00 H new ATOM 0 HA LEU A 17 8.764 -6.400 -12.597 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.430 -3.905 -12.412 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.875 -4.613 -13.915 1.00 0.00 H new ATOM 0 HG LEU A 17 5.561 -4.693 -12.541 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.262 -2.610 -11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.450 -3.697 -10.518 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.002 -2.274 -11.432 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.938 -2.605 -13.698 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.659 -2.280 -14.015 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.872 -3.700 -14.744 1.00 0.00 H new ATOM 187 N ILE A 18 6.871 -6.190 -9.997 1.00 0.00 N ATOM 188 CA ILE A 18 6.814 -6.064 -8.514 1.00 0.00 C ATOM 189 C ILE A 18 8.066 -6.562 -7.776 1.00 0.00 C ATOM 190 O ILE A 18 8.673 -5.817 -7.010 1.00 0.00 O ATOM 191 CB ILE A 18 5.582 -6.777 -7.911 1.00 0.00 C ATOM 192 CG1 ILE A 18 5.460 -8.206 -8.455 1.00 0.00 C ATOM 193 CG2 ILE A 18 4.313 -5.977 -8.163 1.00 0.00 C ATOM 194 CD1 ILE A 18 4.340 -9.008 -7.826 1.00 0.00 C ATOM 0 H ILE A 18 6.004 -6.528 -10.415 1.00 0.00 H new ATOM 0 HA ILE A 18 6.744 -4.987 -8.359 1.00 0.00 H new ATOM 0 HB ILE A 18 5.720 -6.843 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.301 -8.162 -9.532 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.403 -8.728 -8.293 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.461 -6.500 -7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.406 -4.993 -7.704 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.161 -5.864 -9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.318 -10.007 -8.262 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.507 -9.085 -6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.388 -8.510 -8.011 1.00 0.00 H new ATOM 206 N SER A 19 8.450 -7.797 -8.017 1.00 0.00 N ATOM 207 CA SER A 19 9.545 -8.417 -7.296 1.00 0.00 C ATOM 208 C SER A 19 10.885 -7.784 -7.654 1.00 0.00 C ATOM 209 O SER A 19 11.847 -7.890 -6.909 1.00 0.00 O ATOM 210 CB SER A 19 9.570 -9.902 -7.618 1.00 0.00 C ATOM 211 OG SER A 19 8.252 -10.426 -7.650 1.00 0.00 O ATOM 0 H SER A 19 8.015 -8.399 -8.716 1.00 0.00 H new ATOM 0 HA SER A 19 9.386 -8.265 -6.228 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.055 -10.063 -8.581 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.160 -10.432 -6.871 1.00 0.00 H new ATOM 0 HG SER A 19 8.285 -11.383 -7.860 1.00 0.00 H new ATOM 217 N ARG A 20 10.935 -7.147 -8.804 1.00 0.00 N ATOM 218 CA ARG A 20 12.154 -6.541 -9.294 1.00 0.00 C ATOM 219 C ARG A 20 12.314 -5.108 -8.805 1.00 0.00 C ATOM 220 O ARG A 20 13.425 -4.599 -8.723 1.00 0.00 O ATOM 221 CB ARG A 20 12.212 -6.619 -10.821 1.00 0.00 C ATOM 222 CG ARG A 20 12.326 -8.045 -11.346 1.00 0.00 C ATOM 223 CD ARG A 20 11.010 -8.810 -11.278 1.00 0.00 C ATOM 224 NE ARG A 20 11.246 -10.261 -11.168 1.00 0.00 N ATOM 225 CZ ARG A 20 10.423 -11.218 -11.627 1.00 0.00 C ATOM 226 NH1 ARG A 20 9.291 -10.904 -12.233 1.00 0.00 N ATOM 227 NH2 ARG A 20 10.755 -12.495 -11.481 1.00 0.00 N ATOM 0 H ARG A 20 10.133 -7.035 -9.425 1.00 0.00 H new ATOM 0 HA ARG A 20 12.993 -7.106 -8.888 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.317 -6.157 -11.236 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.064 -6.039 -11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.672 -8.020 -12.379 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.081 -8.580 -10.770 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.430 -8.467 -10.422 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.418 -8.601 -12.169 1.00 0.00 H new ATOM 0 HE ARG A 20 12.104 -10.563 -10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.033 -9.925 -12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.675 -11.641 -12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.631 -12.745 -11.022 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.134 -13.226 -11.828 1.00 0.00 H new ATOM 241 N VAL A 21 11.195 -4.473 -8.479 1.00 0.00 N ATOM 242 CA VAL A 21 11.182 -3.091 -7.988 1.00 0.00 C ATOM 243 C VAL A 21 12.063 -2.950 -6.720 1.00 0.00 C ATOM 244 O VAL A 21 12.480 -3.945 -6.148 1.00 0.00 O ATOM 245 CB VAL A 21 9.708 -2.640 -7.697 1.00 0.00 C ATOM 246 CG1 VAL A 21 9.627 -1.231 -7.123 1.00 0.00 C ATOM 247 CG2 VAL A 21 8.866 -2.734 -8.959 1.00 0.00 C ATOM 0 H VAL A 21 10.269 -4.896 -8.546 1.00 0.00 H new ATOM 0 HA VAL A 21 11.599 -2.442 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 21 9.315 -3.320 -6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.584 -0.972 -6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.180 -1.188 -6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.058 -0.524 -7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.846 -2.418 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.289 -2.088 -9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.858 -3.764 -9.315 1.00 0.00 H new ATOM 257 N ALA A 22 12.327 -1.698 -6.305 1.00 0.00 N ATOM 258 CA ALA A 22 13.173 -1.362 -5.137 1.00 0.00 C ATOM 259 C ALA A 22 12.981 -2.301 -3.925 1.00 0.00 C ATOM 260 O ALA A 22 13.903 -2.479 -3.134 1.00 0.00 O ATOM 261 CB ALA A 22 12.929 0.080 -4.720 1.00 0.00 C ATOM 0 H ALA A 22 11.954 -0.875 -6.777 1.00 0.00 H new ATOM 0 HA ALA A 22 14.204 -1.499 -5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.554 0.321 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.177 0.745 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.880 0.209 -4.453 1.00 0.00 H new ATOM 267 N ASN A 23 11.792 -2.896 -3.785 1.00 0.00 N ATOM 268 CA ASN A 23 11.527 -3.833 -2.685 1.00 0.00 C ATOM 269 C ASN A 23 12.471 -5.037 -2.734 1.00 0.00 C ATOM 270 O ASN A 23 12.722 -5.678 -1.713 1.00 0.00 O ATOM 271 CB ASN A 23 10.066 -4.302 -2.673 1.00 0.00 C ATOM 272 CG ASN A 23 9.157 -3.361 -1.900 1.00 0.00 C ATOM 273 OD1 ASN A 23 9.037 -3.459 -0.680 1.00 0.00 O ATOM 274 ND2 ASN A 23 8.494 -2.467 -2.604 1.00 0.00 N ATOM 0 H ASN A 23 11.002 -2.748 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 23 11.713 -3.289 -1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.707 -4.387 -3.699 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.011 -5.298 -2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.853 -1.824 -2.138 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.621 -2.417 -3.615 1.00 0.00 H new ATOM 281 N ALA A 24 12.991 -5.334 -3.924 1.00 0.00 N ATOM 282 CA ALA A 24 13.949 -6.420 -4.108 1.00 0.00 C ATOM 283 C ALA A 24 15.211 -6.154 -3.299 1.00 0.00 C ATOM 284 O ALA A 24 15.803 -7.066 -2.731 1.00 0.00 O ATOM 285 CB ALA A 24 14.303 -6.563 -5.579 1.00 0.00 C ATOM 0 H ALA A 24 12.761 -4.832 -4.782 1.00 0.00 H new ATOM 0 HA ALA A 24 13.493 -7.347 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.018 -7.376 -5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 24 13.401 -6.782 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 24 14.744 -5.633 -5.939 1.00 0.00 H new ATOM 291 N LEU A 25 15.597 -4.882 -3.240 1.00 0.00 N ATOM 292 CA LEU A 25 16.792 -4.465 -2.515 1.00 0.00 C ATOM 293 C LEU A 25 16.481 -4.284 -1.038 1.00 0.00 C ATOM 294 O LEU A 25 17.384 -4.152 -0.213 1.00 0.00 O ATOM 295 CB LEU A 25 17.363 -3.151 -3.094 1.00 0.00 C ATOM 296 CG LEU A 25 17.942 -3.214 -4.521 1.00 0.00 C ATOM 297 CD1 LEU A 25 18.953 -4.341 -4.648 1.00 0.00 C ATOM 298 CD2 LEU A 25 16.838 -3.354 -5.564 1.00 0.00 C ATOM 0 H LEU A 25 15.094 -4.117 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 25 17.542 -5.248 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.571 -2.402 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.147 -2.797 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 25 18.458 -2.272 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.347 -4.364 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.771 -4.177 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.468 -5.291 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.281 -3.396 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.276 -4.269 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.167 -2.497 -5.501 1.00 0.00 H new ATOM 310 N ALA A 26 15.195 -4.254 -0.720 1.00 0.00 N ATOM 311 CA ALA A 26 14.753 -4.125 0.653 1.00 0.00 C ATOM 312 C ALA A 26 14.711 -5.498 1.310 1.00 0.00 C ATOM 313 O ALA A 26 15.134 -5.659 2.456 1.00 0.00 O ATOM 314 CB ALA A 26 13.382 -3.451 0.713 1.00 0.00 C ATOM 0 H ALA A 26 14.439 -4.318 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 26 15.459 -3.498 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.065 -3.362 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.445 -2.459 0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.657 -4.051 0.163 1.00 0.00 H new ATOM 320 N ASN A 27 14.165 -6.484 0.565 1.00 0.00 N ATOM 321 CA ASN A 27 14.083 -7.894 0.999 1.00 0.00 C ATOM 322 C ASN A 27 13.369 -8.047 2.366 1.00 0.00 C ATOM 323 O ASN A 27 13.360 -9.123 2.975 1.00 0.00 O ATOM 324 CB ASN A 27 15.498 -8.503 1.009 1.00 0.00 C ATOM 325 CG ASN A 27 15.515 -10.012 1.174 1.00 0.00 C ATOM 326 OD1 ASN A 27 15.757 -10.535 2.259 1.00 0.00 O ATOM 327 ND2 ASN A 27 15.256 -10.721 0.091 1.00 0.00 N ATOM 0 H ASN A 27 13.767 -6.322 -0.360 1.00 0.00 H new ATOM 0 HA ASN A 27 13.469 -8.445 0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.002 -8.243 0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.072 -8.052 1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.252 -11.740 0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.060 -10.250 -0.792 1.00 0.00 H new ATOM 334 N THR A 28 12.722 -6.975 2.791 1.00 0.00 N ATOM 335 CA THR A 28 12.028 -6.915 4.058 1.00 0.00 C ATOM 336 C THR A 28 10.732 -7.756 4.018 1.00 0.00 C ATOM 337 O THR A 28 10.267 -8.159 2.949 1.00 0.00 O ATOM 338 CB THR A 28 11.712 -5.430 4.389 1.00 0.00 C ATOM 339 OG1 THR A 28 12.915 -4.654 4.242 1.00 0.00 O ATOM 340 CG2 THR A 28 11.181 -5.257 5.814 1.00 0.00 C ATOM 0 H THR A 28 12.666 -6.110 2.254 1.00 0.00 H new ATOM 0 HA THR A 28 12.664 -7.334 4.838 1.00 0.00 H new ATOM 0 HB THR A 28 10.938 -5.091 3.701 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.725 -3.715 4.447 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.974 -4.203 6.000 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.263 -5.833 5.933 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.927 -5.611 6.526 1.00 0.00 H new ATOM 348 N SER A 29 10.170 -8.023 5.184 1.00 0.00 N ATOM 349 CA SER A 29 8.944 -8.796 5.309 1.00 0.00 C ATOM 350 C SER A 29 7.753 -8.121 4.604 1.00 0.00 C ATOM 351 O SER A 29 6.739 -8.763 4.368 1.00 0.00 O ATOM 352 CB SER A 29 8.628 -9.029 6.781 1.00 0.00 C ATOM 353 OG SER A 29 9.722 -9.653 7.435 1.00 0.00 O ATOM 0 H SER A 29 10.552 -7.709 6.076 1.00 0.00 H new ATOM 0 HA SER A 29 9.106 -9.753 4.814 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.402 -8.079 7.265 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.739 -9.653 6.873 1.00 0.00 H new ATOM 0 HG SER A 29 9.502 -9.793 8.380 1.00 0.00 H new ATOM 359 N THR A 30 7.908 -6.831 4.273 1.00 0.00 N ATOM 360 CA THR A 30 6.861 -6.019 3.622 1.00 0.00 C ATOM 361 C THR A 30 6.355 -6.629 2.305 1.00 0.00 C ATOM 362 O THR A 30 5.237 -6.345 1.869 1.00 0.00 O ATOM 363 CB THR A 30 7.392 -4.607 3.337 1.00 0.00 C ATOM 364 OG1 THR A 30 8.713 -4.698 2.770 1.00 0.00 O ATOM 365 CG2 THR A 30 7.448 -3.790 4.608 1.00 0.00 C ATOM 0 H THR A 30 8.770 -6.314 4.450 1.00 0.00 H new ATOM 0 HA THR A 30 6.022 -5.988 4.317 1.00 0.00 H new ATOM 0 HB THR A 30 6.717 -4.116 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.053 -3.797 2.586 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.827 -2.793 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.448 -3.710 5.034 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.110 -4.277 5.325 1.00 0.00 H new ATOM 373 N LEU A 31 7.196 -7.416 1.666 1.00 0.00 N ATOM 374 CA LEU A 31 6.831 -8.094 0.423 1.00 0.00 C ATOM 375 C LEU A 31 6.809 -9.607 0.621 1.00 0.00 C ATOM 376 O LEU A 31 6.248 -10.349 -0.190 1.00 0.00 O ATOM 377 CB LEU A 31 7.765 -7.712 -0.749 1.00 0.00 C ATOM 378 CG LEU A 31 9.264 -8.011 -0.573 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.926 -8.201 -1.933 1.00 0.00 C ATOM 380 CD2 LEU A 31 9.951 -6.880 0.184 1.00 0.00 C ATOM 0 H LEU A 31 8.146 -7.608 1.984 1.00 0.00 H new ATOM 0 HA LEU A 31 5.828 -7.759 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.418 -8.232 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.652 -6.644 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 31 9.365 -8.930 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.986 -8.412 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.455 -9.035 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.811 -7.292 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.010 -7.110 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.840 -5.949 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.495 -6.771 1.168 1.00 0.00 H new ATOM 392 N ARG A 32 7.447 -10.054 1.692 1.00 0.00 N ATOM 393 CA ARG A 32 7.581 -11.473 1.980 1.00 0.00 C ATOM 394 C ARG A 32 6.293 -12.087 2.563 1.00 0.00 C ATOM 395 O ARG A 32 5.842 -13.129 2.097 1.00 0.00 O ATOM 396 CB ARG A 32 8.745 -11.701 2.933 1.00 0.00 C ATOM 397 CG ARG A 32 9.160 -13.153 3.060 1.00 0.00 C ATOM 398 CD ARG A 32 10.325 -13.311 4.019 1.00 0.00 C ATOM 399 NE ARG A 32 11.450 -12.443 3.664 1.00 0.00 N ATOM 400 CZ ARG A 32 12.722 -12.835 3.652 1.00 0.00 C ATOM 401 NH1 ARG A 32 13.041 -14.083 3.981 1.00 0.00 N ATOM 402 NH2 ARG A 32 13.676 -11.976 3.324 1.00 0.00 N ATOM 0 H ARG A 32 7.885 -9.445 2.384 1.00 0.00 H new ATOM 0 HA ARG A 32 7.772 -11.976 1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.600 -11.117 2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.474 -11.323 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.315 -13.746 3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.438 -13.541 2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.995 -13.080 5.032 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.655 -14.350 4.020 1.00 0.00 H new ATOM 0 HE ARG A 32 11.246 -11.477 3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.310 -14.744 4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.017 -14.380 3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.435 -11.015 3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.651 -12.276 3.315 1.00 0.00 H new ATOM 416 N THR A 33 5.701 -11.445 3.576 1.00 0.00 N ATOM 417 CA THR A 33 4.507 -12.006 4.221 1.00 0.00 C ATOM 418 C THR A 33 3.795 -10.988 5.134 1.00 0.00 C ATOM 419 O THR A 33 2.569 -11.021 5.278 1.00 0.00 O ATOM 420 CB THR A 33 4.854 -13.285 5.029 1.00 0.00 C ATOM 421 OG1 THR A 33 3.660 -13.893 5.553 1.00 0.00 O ATOM 422 CG2 THR A 33 5.806 -12.966 6.171 1.00 0.00 C ATOM 0 H THR A 33 6.020 -10.556 3.961 1.00 0.00 H new ATOM 0 HA THR A 33 3.820 -12.267 3.416 1.00 0.00 H new ATOM 0 HB THR A 33 5.342 -13.983 4.349 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.898 -14.699 6.058 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.033 -13.879 6.721 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.728 -12.545 5.769 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.340 -12.244 6.842 1.00 0.00 H new ATOM 430 N VAL A 34 4.553 -10.098 5.742 1.00 0.00 N ATOM 431 CA VAL A 34 3.978 -9.082 6.613 1.00 0.00 C ATOM 432 C VAL A 34 3.430 -7.944 5.771 1.00 0.00 C ATOM 433 O VAL A 34 4.059 -7.536 4.803 1.00 0.00 O ATOM 434 CB VAL A 34 5.021 -8.537 7.623 1.00 0.00 C ATOM 435 CG1 VAL A 34 4.421 -7.442 8.497 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.561 -9.667 8.488 1.00 0.00 C ATOM 0 H VAL A 34 5.568 -10.054 5.652 1.00 0.00 H new ATOM 0 HA VAL A 34 3.172 -9.542 7.185 1.00 0.00 H new ATOM 0 HB VAL A 34 5.844 -8.103 7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.176 -7.079 9.195 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.083 -6.619 7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.575 -7.844 9.054 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.292 -9.269 9.192 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.741 -10.128 9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.038 -10.415 7.854 1.00 0.00 H new ATOM 446 N LEU A 35 2.246 -7.454 6.125 1.00 0.00 N ATOM 447 CA LEU A 35 1.603 -6.384 5.369 1.00 0.00 C ATOM 448 C LEU A 35 2.541 -5.197 5.198 1.00 0.00 C ATOM 449 O LEU A 35 3.265 -4.820 6.126 1.00 0.00 O ATOM 450 CB LEU A 35 0.286 -5.929 6.027 1.00 0.00 C ATOM 451 CG LEU A 35 0.411 -5.106 7.324 1.00 0.00 C ATOM 452 CD1 LEU A 35 -0.903 -4.416 7.641 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.835 -5.985 8.492 1.00 0.00 C ATOM 0 H LEU A 35 1.712 -7.781 6.930 1.00 0.00 H new ATOM 0 HA LEU A 35 1.364 -6.788 4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.271 -5.337 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.311 -6.815 6.242 1.00 0.00 H new ATOM 0 HG LEU A 35 1.180 -4.350 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.799 -3.839 8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.170 -3.749 6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.685 -5.164 7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.915 -5.378 9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.093 -6.768 8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.801 -6.439 8.273 1.00 0.00 H new ATOM 465 N ARG A 36 2.531 -4.628 4.009 1.00 0.00 N ATOM 466 CA ARG A 36 3.391 -3.508 3.696 1.00 0.00 C ATOM 467 C ARG A 36 3.033 -2.293 4.543 1.00 0.00 C ATOM 468 O ARG A 36 1.893 -2.156 5.010 1.00 0.00 O ATOM 469 CB ARG A 36 3.297 -3.161 2.210 1.00 0.00 C ATOM 470 CG ARG A 36 1.976 -2.535 1.799 1.00 0.00 C ATOM 471 CD ARG A 36 1.999 -2.123 0.340 1.00 0.00 C ATOM 472 NE ARG A 36 0.877 -1.248 -0.001 1.00 0.00 N ATOM 473 CZ ARG A 36 0.877 0.081 0.184 1.00 0.00 C ATOM 474 NH1 ARG A 36 1.928 0.684 0.739 1.00 0.00 N ATOM 475 NH2 ARG A 36 -0.174 0.800 -0.187 1.00 0.00 N ATOM 0 H ARG A 36 1.932 -4.927 3.240 1.00 0.00 H new ATOM 0 HA ARG A 36 4.417 -3.796 3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.105 -2.475 1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.454 -4.068 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.166 -3.244 1.967 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.772 -1.665 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.937 -1.611 0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.968 -3.013 -0.288 1.00 0.00 H new ATOM 0 HE ARG A 36 0.043 -1.675 -0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.738 0.135 1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.922 1.695 0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.980 0.343 -0.612 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.176 1.810 -0.047 1.00 0.00 H new ATOM 489 N THR A 37 3.995 -1.416 4.728 1.00 0.00 N ATOM 490 CA THR A 37 3.797 -0.231 5.520 1.00 0.00 C ATOM 491 C THR A 37 2.880 0.732 4.780 1.00 0.00 C ATOM 492 O THR A 37 3.220 1.231 3.702 1.00 0.00 O ATOM 493 CB THR A 37 5.138 0.451 5.823 1.00 0.00 C ATOM 494 OG1 THR A 37 6.153 -0.554 5.982 1.00 0.00 O ATOM 495 CG2 THR A 37 5.038 1.260 7.106 1.00 0.00 C ATOM 0 H THR A 37 4.931 -1.507 4.334 1.00 0.00 H new ATOM 0 HA THR A 37 3.336 -0.517 6.466 1.00 0.00 H new ATOM 0 HB THR A 37 5.392 1.117 4.998 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.012 -0.124 6.174 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.996 1.739 7.310 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.267 2.023 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.779 0.599 7.933 1.00 0.00 H new ATOM 503 N GLY A 38 1.713 0.963 5.346 1.00 0.00 N ATOM 504 CA GLY A 38 0.748 1.820 4.715 1.00 0.00 C ATOM 505 C GLY A 38 -0.037 1.071 3.680 1.00 0.00 C ATOM 506 O GLY A 38 -0.299 1.588 2.594 1.00 0.00 O ATOM 0 H GLY A 38 1.417 0.568 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.071 2.227 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.255 2.666 4.251 1.00 0.00 H new ATOM 510 N VAL A 39 -0.380 -0.172 4.022 1.00 0.00 N ATOM 511 CA VAL A 39 -1.129 -1.070 3.152 1.00 0.00 C ATOM 512 C VAL A 39 -2.359 -0.387 2.527 1.00 0.00 C ATOM 513 O VAL A 39 -2.999 0.466 3.142 1.00 0.00 O ATOM 514 CB VAL A 39 -1.556 -2.351 3.920 1.00 0.00 C ATOM 515 CG1 VAL A 39 -2.629 -2.054 4.962 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.004 -3.435 2.963 1.00 0.00 C ATOM 0 H VAL A 39 -0.141 -0.585 4.923 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.462 -1.350 2.336 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.680 -2.718 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.901 -2.975 5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.245 -1.334 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.509 -1.640 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.297 -4.320 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.853 -3.078 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.184 -3.688 2.291 1.00 0.00 H new ATOM 526 N SER A 40 -2.667 -0.780 1.301 1.00 0.00 N ATOM 527 CA SER A 40 -3.761 -0.199 0.558 1.00 0.00 C ATOM 528 C SER A 40 -5.112 -0.629 1.127 1.00 0.00 C ATOM 529 O SER A 40 -5.302 -1.791 1.500 1.00 0.00 O ATOM 530 CB SER A 40 -3.655 -0.610 -0.910 1.00 0.00 C ATOM 531 OG SER A 40 -2.362 -0.319 -1.428 1.00 0.00 O ATOM 0 H SER A 40 -2.163 -1.510 0.798 1.00 0.00 H new ATOM 0 HA SER A 40 -3.695 0.886 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.859 -1.676 -1.009 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.411 -0.085 -1.494 1.00 0.00 H new ATOM 0 HG SER A 40 -2.352 0.592 -1.790 1.00 0.00 H new ATOM 537 N GLN A 41 -6.045 0.310 1.166 1.00 0.00 N ATOM 538 CA GLN A 41 -7.394 0.064 1.675 1.00 0.00 C ATOM 539 C GLN A 41 -8.160 -0.969 0.855 1.00 0.00 C ATOM 540 O GLN A 41 -9.210 -1.443 1.275 1.00 0.00 O ATOM 541 CB GLN A 41 -8.192 1.369 1.787 1.00 0.00 C ATOM 542 CG GLN A 41 -7.913 2.409 0.695 1.00 0.00 C ATOM 543 CD GLN A 41 -8.264 1.936 -0.696 1.00 0.00 C ATOM 544 OE1 GLN A 41 -7.432 1.365 -1.399 1.00 0.00 O ATOM 545 NE2 GLN A 41 -9.490 2.170 -1.102 1.00 0.00 N ATOM 0 H GLN A 41 -5.892 1.266 0.846 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.271 -0.356 2.673 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.255 1.127 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.982 1.821 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.478 3.315 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.857 2.678 0.722 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.149 2.647 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.784 1.875 -2.033 1.00 0.00 H new ATOM 554 N GLN A 42 -7.641 -1.298 -0.313 1.00 0.00 N ATOM 555 CA GLN A 42 -8.256 -2.296 -1.172 1.00 0.00 C ATOM 556 C GLN A 42 -8.399 -3.626 -0.439 1.00 0.00 C ATOM 557 O GLN A 42 -9.397 -4.318 -0.584 1.00 0.00 O ATOM 558 CB GLN A 42 -7.434 -2.473 -2.457 1.00 0.00 C ATOM 559 CG GLN A 42 -7.340 -1.204 -3.276 1.00 0.00 C ATOM 560 CD GLN A 42 -8.691 -0.747 -3.797 1.00 0.00 C ATOM 561 OE1 GLN A 42 -9.557 -1.557 -4.117 1.00 0.00 O ATOM 562 NE2 GLN A 42 -8.888 0.554 -3.862 1.00 0.00 N ATOM 0 H GLN A 42 -6.788 -0.886 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.253 -1.949 -1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.429 -2.806 -2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.883 -3.259 -3.064 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.903 -0.413 -2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.666 -1.367 -4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.145 1.197 -3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.784 0.919 -4.187 1.00 0.00 H new ATOM 571 N ILE A 43 -7.398 -3.967 0.371 1.00 0.00 N ATOM 572 CA ILE A 43 -7.427 -5.219 1.118 1.00 0.00 C ATOM 573 C ILE A 43 -8.208 -5.089 2.433 1.00 0.00 C ATOM 574 O ILE A 43 -8.885 -6.029 2.858 1.00 0.00 O ATOM 575 CB ILE A 43 -5.993 -5.785 1.372 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.116 -4.813 2.175 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.323 -6.116 0.054 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.232 -4.956 3.685 1.00 0.00 C ATOM 0 H ILE A 43 -6.565 -3.399 0.525 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.957 -5.937 0.492 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.104 -6.692 1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.075 -4.962 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.380 -3.792 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.324 -6.510 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.913 -6.863 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.249 -5.214 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.579 -4.231 4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.263 -4.776 3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.937 -5.963 3.979 1.00 0.00 H new ATOM 590 N ALA A 44 -8.106 -3.926 3.071 1.00 0.00 N ATOM 591 CA ALA A 44 -8.783 -3.686 4.341 1.00 0.00 C ATOM 592 C ALA A 44 -10.232 -3.278 4.117 1.00 0.00 C ATOM 593 O ALA A 44 -11.147 -4.049 4.392 1.00 0.00 O ATOM 594 CB ALA A 44 -8.038 -2.633 5.149 1.00 0.00 C ATOM 0 H ALA A 44 -7.561 -3.135 2.729 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.785 -4.616 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.556 -2.465 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.023 -2.978 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.001 -1.701 4.585 1.00 0.00 H new ATOM 600 N SER A 45 -10.424 -2.034 3.653 1.00 0.00 N ATOM 601 CA SER A 45 -11.749 -1.488 3.302 1.00 0.00 C ATOM 602 C SER A 45 -12.579 -1.123 4.542 1.00 0.00 C ATOM 603 O SER A 45 -13.541 -0.360 4.452 1.00 0.00 O ATOM 604 CB SER A 45 -12.513 -2.456 2.385 1.00 0.00 C ATOM 605 OG SER A 45 -11.715 -2.824 1.264 1.00 0.00 O ATOM 0 H SER A 45 -9.661 -1.372 3.509 1.00 0.00 H new ATOM 0 HA SER A 45 -11.579 -0.560 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.796 -3.348 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.436 -1.988 2.043 1.00 0.00 H new ATOM 0 HG SER A 45 -10.894 -2.289 1.258 1.00 0.00 H new ATOM 611 N SER A 46 -12.204 -1.677 5.680 1.00 0.00 N ATOM 612 CA SER A 46 -12.904 -1.454 6.925 1.00 0.00 C ATOM 613 C SER A 46 -12.761 -0.004 7.415 1.00 0.00 C ATOM 614 O SER A 46 -13.660 0.824 7.233 1.00 0.00 O ATOM 615 CB SER A 46 -12.369 -2.431 7.970 1.00 0.00 C ATOM 616 OG SER A 46 -10.942 -2.417 7.993 1.00 0.00 O ATOM 0 H SER A 46 -11.399 -2.298 5.764 1.00 0.00 H new ATOM 0 HA SER A 46 -13.968 -1.625 6.762 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.756 -2.166 8.954 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.724 -3.438 7.749 1.00 0.00 H new ATOM 0 HG SER A 46 -10.614 -3.239 8.413 1.00 0.00 H new ATOM 622 N VAL A 47 -11.635 0.290 8.023 1.00 0.00 N ATOM 623 CA VAL A 47 -11.369 1.619 8.558 1.00 0.00 C ATOM 624 C VAL A 47 -9.997 2.121 8.110 1.00 0.00 C ATOM 625 O VAL A 47 -9.767 3.325 7.978 1.00 0.00 O ATOM 626 CB VAL A 47 -11.455 1.612 10.110 1.00 0.00 C ATOM 627 CG1 VAL A 47 -10.509 0.573 10.706 1.00 0.00 C ATOM 628 CG2 VAL A 47 -11.171 2.997 10.687 1.00 0.00 C ATOM 0 H VAL A 47 -10.876 -0.377 8.164 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.129 2.296 8.169 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.474 1.339 10.382 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.589 0.589 11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.777 -0.417 10.337 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.484 0.804 10.414 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.239 2.959 11.774 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.169 3.314 10.397 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.902 3.708 10.302 1.00 0.00 H new ATOM 638 N VAL A 48 -9.101 1.189 7.858 1.00 0.00 N ATOM 639 CA VAL A 48 -7.750 1.516 7.449 1.00 0.00 C ATOM 640 C VAL A 48 -7.714 2.003 6.001 1.00 0.00 C ATOM 641 O VAL A 48 -7.683 1.199 5.071 1.00 0.00 O ATOM 642 CB VAL A 48 -6.810 0.297 7.596 1.00 0.00 C ATOM 643 CG1 VAL A 48 -5.370 0.673 7.276 1.00 0.00 C ATOM 644 CG2 VAL A 48 -6.916 -0.292 8.990 1.00 0.00 C ATOM 0 H VAL A 48 -9.287 0.189 7.930 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.404 2.315 8.104 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.124 -0.460 6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.732 -0.203 7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.309 1.038 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.037 1.454 7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.248 -1.149 9.075 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.635 0.462 9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.942 -0.613 9.172 1.00 0.00 H new ATOM 654 N GLN A 49 -7.772 3.316 5.819 1.00 0.00 N ATOM 655 CA GLN A 49 -7.671 3.894 4.488 1.00 0.00 C ATOM 656 C GLN A 49 -6.205 4.016 4.074 1.00 0.00 C ATOM 657 O GLN A 49 -5.813 3.597 2.991 1.00 0.00 O ATOM 658 CB GLN A 49 -8.365 5.255 4.419 1.00 0.00 C ATOM 659 CG GLN A 49 -9.858 5.209 4.721 1.00 0.00 C ATOM 660 CD GLN A 49 -10.620 4.291 3.777 1.00 0.00 C ATOM 661 OE1 GLN A 49 -10.228 4.095 2.628 1.00 0.00 O ATOM 662 NE2 GLN A 49 -11.717 3.734 4.252 1.00 0.00 N ATOM 0 H GLN A 49 -7.888 3.995 6.571 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.179 3.228 3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.883 5.932 5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.219 5.675 3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.007 4.873 5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.270 6.216 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.010 3.921 5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.273 3.116 3.660 1.00 0.00 H new ATOM 671 N ARG A 50 -5.401 4.602 4.954 1.00 0.00 N ATOM 672 CA ARG A 50 -3.969 4.746 4.722 1.00 0.00 C ATOM 673 C ARG A 50 -3.191 4.313 5.970 1.00 0.00 C ATOM 674 O ARG A 50 -1.963 4.277 5.964 1.00 0.00 O ATOM 675 CB ARG A 50 -3.625 6.219 4.388 1.00 0.00 C ATOM 676 CG ARG A 50 -2.133 6.463 4.182 1.00 0.00 C ATOM 677 CD ARG A 50 -1.736 7.926 4.353 1.00 0.00 C ATOM 678 NE ARG A 50 -2.201 8.779 3.262 1.00 0.00 N ATOM 679 CZ ARG A 50 -1.784 10.042 3.062 1.00 0.00 C ATOM 680 NH1 ARG A 50 -0.828 10.558 3.827 1.00 0.00 N ATOM 681 NH2 ARG A 50 -2.297 10.767 2.075 1.00 0.00 N ATOM 0 H ARG A 50 -5.721 4.988 5.842 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.688 4.113 3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.161 6.514 3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.982 6.859 5.195 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.570 5.855 4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.851 6.131 3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.140 8.298 5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.650 7.996 4.423 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.885 8.393 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.409 9.996 4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.513 11.516 3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.010 10.367 1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.978 11.724 1.927 1.00 0.00 H new ATOM 695 N ALA A 51 -3.929 3.975 7.035 1.00 0.00 N ATOM 696 CA ALA A 51 -3.348 3.659 8.356 1.00 0.00 C ATOM 697 C ALA A 51 -2.825 4.934 9.021 1.00 0.00 C ATOM 698 O ALA A 51 -3.147 5.218 10.169 1.00 0.00 O ATOM 699 CB ALA A 51 -2.255 2.588 8.266 1.00 0.00 C ATOM 0 H ALA A 51 -4.947 3.911 7.010 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.141 3.241 8.977 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.858 2.389 9.261 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.677 1.671 7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.452 2.941 7.619 1.00 0.00 H new ATOM 705 N ALA A 52 -2.026 5.698 8.285 1.00 0.00 N ATOM 706 CA ALA A 52 -1.545 6.981 8.758 1.00 0.00 C ATOM 707 C ALA A 52 -2.709 7.959 8.832 1.00 0.00 C ATOM 708 O ALA A 52 -3.474 8.100 7.866 1.00 0.00 O ATOM 709 CB ALA A 52 -0.457 7.513 7.843 1.00 0.00 C ATOM 0 H ALA A 52 -1.699 5.445 7.353 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.116 6.859 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.108 8.477 8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.376 6.810 7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.856 7.635 6.836 1.00 0.00 H new ATOM 715 N GLN A 53 -2.814 8.639 9.967 1.00 0.00 N ATOM 716 CA GLN A 53 -3.939 9.542 10.291 1.00 0.00 C ATOM 717 C GLN A 53 -4.319 10.509 9.157 1.00 0.00 C ATOM 718 O GLN A 53 -5.475 10.869 9.032 1.00 0.00 O ATOM 719 CB GLN A 53 -3.651 10.337 11.583 1.00 0.00 C ATOM 720 CG GLN A 53 -2.481 11.317 11.481 1.00 0.00 C ATOM 721 CD GLN A 53 -1.124 10.637 11.426 1.00 0.00 C ATOM 722 OE1 GLN A 53 -0.203 11.127 10.778 1.00 0.00 O ATOM 723 NE2 GLN A 53 -0.983 9.523 12.126 1.00 0.00 N ATOM 0 H GLN A 53 -2.115 8.586 10.708 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.799 8.888 10.438 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.548 10.890 11.861 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.448 9.633 12.390 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.608 11.930 10.589 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.506 11.991 12.337 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.772 9.148 12.652 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.085 9.040 12.140 1.00 0.00 H new ATOM 732 N SER A 54 -3.349 10.909 8.343 1.00 0.00 N ATOM 733 CA SER A 54 -3.582 11.860 7.254 1.00 0.00 C ATOM 734 C SER A 54 -4.795 11.462 6.384 1.00 0.00 C ATOM 735 O SER A 54 -5.847 12.101 6.442 1.00 0.00 O ATOM 736 CB SER A 54 -2.328 11.970 6.395 1.00 0.00 C ATOM 737 OG SER A 54 -1.170 12.072 7.208 1.00 0.00 O ATOM 0 H SER A 54 -2.384 10.588 8.415 1.00 0.00 H new ATOM 0 HA SER A 54 -3.810 12.829 7.699 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.248 11.097 5.747 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.401 12.843 5.746 1.00 0.00 H new ATOM 0 HG SER A 54 -0.375 12.140 6.638 1.00 0.00 H new ATOM 743 N LEU A 55 -4.645 10.406 5.593 1.00 0.00 N ATOM 744 CA LEU A 55 -5.730 9.952 4.723 1.00 0.00 C ATOM 745 C LEU A 55 -6.663 9.000 5.482 1.00 0.00 C ATOM 746 O LEU A 55 -7.831 8.858 5.137 1.00 0.00 O ATOM 747 CB LEU A 55 -5.157 9.290 3.443 1.00 0.00 C ATOM 748 CG LEU A 55 -6.115 9.115 2.242 1.00 0.00 C ATOM 749 CD1 LEU A 55 -5.320 9.013 0.947 1.00 0.00 C ATOM 750 CD2 LEU A 55 -6.980 7.872 2.403 1.00 0.00 C ATOM 0 H LEU A 55 -3.792 9.850 5.534 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.319 10.815 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.305 9.882 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.775 8.306 3.715 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.766 9.989 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.005 8.890 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.734 9.922 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.651 8.154 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.643 7.776 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.342 6.991 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.575 7.958 3.312 1.00 0.00 H new ATOM 762 N ALA A 56 -6.141 8.363 6.532 1.00 0.00 N ATOM 763 CA ALA A 56 -6.932 7.419 7.318 1.00 0.00 C ATOM 764 C ALA A 56 -7.995 8.118 8.132 1.00 0.00 C ATOM 765 O ALA A 56 -8.954 7.488 8.561 1.00 0.00 O ATOM 766 CB ALA A 56 -6.056 6.576 8.219 1.00 0.00 C ATOM 0 H ALA A 56 -5.181 8.483 6.855 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.429 6.760 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.678 5.885 8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.348 6.011 7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.510 7.223 8.905 1.00 0.00 H new ATOM 772 N SER A 57 -7.803 9.412 8.364 1.00 0.00 N ATOM 773 CA SER A 57 -8.750 10.217 9.116 1.00 0.00 C ATOM 774 C SER A 57 -10.179 9.996 8.601 1.00 0.00 C ATOM 775 O SER A 57 -10.508 10.345 7.467 1.00 0.00 O ATOM 776 CB SER A 57 -8.351 11.699 9.027 1.00 0.00 C ATOM 777 OG SER A 57 -8.253 12.128 7.675 1.00 0.00 O ATOM 0 H SER A 57 -6.987 9.929 8.035 1.00 0.00 H new ATOM 0 HA SER A 57 -8.728 9.912 10.162 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.087 12.308 9.551 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.396 11.851 9.529 1.00 0.00 H new ATOM 0 HG SER A 57 -7.322 12.060 7.377 1.00 0.00 H new ATOM 783 N THR A 58 -11.010 9.389 9.431 1.00 0.00 N ATOM 784 CA THR A 58 -12.361 9.069 9.037 1.00 0.00 C ATOM 785 C THR A 58 -13.252 8.796 10.264 1.00 0.00 C ATOM 786 O THR A 58 -14.406 9.213 10.306 1.00 0.00 O ATOM 787 CB THR A 58 -12.381 7.851 8.057 1.00 0.00 C ATOM 788 OG1 THR A 58 -13.696 7.655 7.524 1.00 0.00 O ATOM 789 CG2 THR A 58 -11.915 6.569 8.746 1.00 0.00 C ATOM 0 H THR A 58 -10.768 9.110 10.382 1.00 0.00 H new ATOM 0 HA THR A 58 -12.768 9.935 8.515 1.00 0.00 H new ATOM 0 HB THR A 58 -11.690 8.077 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.690 6.890 6.912 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.942 5.743 8.035 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.896 6.701 9.110 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.574 6.347 9.585 1.00 0.00 H new ATOM 797 N LEU A 59 -12.704 8.095 11.255 1.00 0.00 N ATOM 798 CA LEU A 59 -13.448 7.769 12.473 1.00 0.00 C ATOM 799 C LEU A 59 -12.738 8.309 13.707 1.00 0.00 C ATOM 800 O LEU A 59 -13.006 7.872 14.829 1.00 0.00 O ATOM 801 CB LEU A 59 -13.623 6.250 12.599 1.00 0.00 C ATOM 802 CG LEU A 59 -14.527 5.585 11.556 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.547 4.080 11.752 1.00 0.00 C ATOM 804 CD2 LEU A 59 -15.936 6.148 11.636 1.00 0.00 C ATOM 0 H LEU A 59 -11.747 7.741 11.240 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.429 8.239 12.404 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.638 5.786 12.545 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.024 6.032 13.589 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.125 5.800 10.566 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.194 3.624 11.003 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.536 3.686 11.647 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.925 3.848 12.748 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.564 5.664 10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.346 5.963 12.629 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.910 7.221 11.449 1.00 0.00 H new ATOM 816 N GLY A 60 -11.850 9.263 13.500 1.00 0.00 N ATOM 817 CA GLY A 60 -11.077 9.798 14.598 1.00 0.00 C ATOM 818 C GLY A 60 -9.800 9.025 14.790 1.00 0.00 C ATOM 819 O GLY A 60 -9.621 8.372 15.807 1.00 0.00 O ATOM 0 H GLY A 60 -11.649 9.678 12.590 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.846 10.846 14.407 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.668 9.763 15.513 1.00 0.00 H new ATOM 823 N VAL A 61 -8.903 9.104 13.812 1.00 0.00 N ATOM 824 CA VAL A 61 -7.653 8.347 13.857 1.00 0.00 C ATOM 825 C VAL A 61 -6.559 9.129 14.551 1.00 0.00 C ATOM 826 O VAL A 61 -6.001 10.073 13.989 1.00 0.00 O ATOM 827 CB VAL A 61 -7.162 7.947 12.441 1.00 0.00 C ATOM 828 CG1 VAL A 61 -5.935 7.045 12.527 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.268 7.266 11.655 1.00 0.00 C ATOM 0 H VAL A 61 -9.016 9.683 12.980 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.868 7.441 14.423 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.881 8.859 11.914 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.609 6.778 11.522 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.131 7.572 13.041 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.187 6.140 13.080 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.898 6.996 10.666 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.588 6.367 12.181 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.114 7.946 11.553 1.00 0.00 H new ATOM 839 N ASP A 62 -6.266 8.731 15.777 1.00 0.00 N ATOM 840 CA ASP A 62 -5.217 9.347 16.572 1.00 0.00 C ATOM 841 C ASP A 62 -5.010 8.578 17.869 1.00 0.00 C ATOM 842 O ASP A 62 -5.488 8.978 18.936 1.00 0.00 O ATOM 843 CB ASP A 62 -5.521 10.822 16.867 1.00 0.00 C ATOM 844 CG ASP A 62 -4.425 11.489 17.673 1.00 0.00 C ATOM 845 OD1 ASP A 62 -3.259 11.473 17.232 1.00 0.00 O ATOM 846 OD2 ASP A 62 -4.726 12.042 18.748 1.00 0.00 O ATOM 0 H ASP A 62 -6.751 7.969 16.251 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.297 9.309 15.988 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.654 11.358 15.927 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.463 10.894 17.411 1.00 0.00 H new ATOM 851 N GLY A 63 -4.347 7.447 17.761 1.00 0.00 N ATOM 852 CA GLY A 63 -4.045 6.653 18.927 1.00 0.00 C ATOM 853 C GLY A 63 -5.037 5.528 19.183 1.00 0.00 C ATOM 854 O GLY A 63 -4.673 4.353 19.103 1.00 0.00 O ATOM 0 H GLY A 63 -4.009 7.060 16.880 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.048 6.226 18.815 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.017 7.305 19.800 1.00 0.00 H new ATOM 858 N ASN A 64 -6.295 5.886 19.444 1.00 0.00 N ATOM 859 CA ASN A 64 -7.318 4.918 19.834 1.00 0.00 C ATOM 860 C ASN A 64 -7.588 3.898 18.740 1.00 0.00 C ATOM 861 O ASN A 64 -7.227 2.728 18.869 1.00 0.00 O ATOM 862 CB ASN A 64 -8.599 5.654 20.203 1.00 0.00 C ATOM 863 CG ASN A 64 -9.771 4.738 20.457 1.00 0.00 C ATOM 864 OD1 ASN A 64 -9.628 3.630 20.977 1.00 0.00 O ATOM 865 ND2 ASN A 64 -10.934 5.197 20.074 1.00 0.00 N ATOM 0 H ASN A 64 -6.631 6.848 19.391 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.948 4.367 20.698 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.419 6.255 21.094 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.856 6.344 19.399 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.773 4.631 20.201 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.002 6.121 19.648 1.00 0.00 H new ATOM 872 N ASN A 65 -8.194 4.342 17.652 1.00 0.00 N ATOM 873 CA ASN A 65 -8.525 3.439 16.553 1.00 0.00 C ATOM 874 C ASN A 65 -7.317 3.224 15.662 1.00 0.00 C ATOM 875 O ASN A 65 -7.414 2.621 14.600 1.00 0.00 O ATOM 876 CB ASN A 65 -9.710 3.963 15.734 1.00 0.00 C ATOM 877 CG ASN A 65 -9.358 5.170 14.897 1.00 0.00 C ATOM 878 OD1 ASN A 65 -8.487 5.953 15.257 1.00 0.00 O ATOM 879 ND2 ASN A 65 -10.035 5.324 13.772 1.00 0.00 N ATOM 0 H ASN A 65 -8.467 5.313 17.502 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.818 2.482 16.985 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.074 3.169 15.082 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.526 4.221 16.409 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.840 6.120 13.164 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.752 4.647 13.512 1.00 0.00 H new ATOM 886 N LEU A 66 -6.190 3.741 16.098 1.00 0.00 N ATOM 887 CA LEU A 66 -4.944 3.554 15.408 1.00 0.00 C ATOM 888 C LEU A 66 -4.272 2.271 15.895 1.00 0.00 C ATOM 889 O LEU A 66 -3.915 1.405 15.100 1.00 0.00 O ATOM 890 CB LEU A 66 -4.040 4.767 15.628 1.00 0.00 C ATOM 891 CG LEU A 66 -2.639 4.684 15.026 1.00 0.00 C ATOM 892 CD1 LEU A 66 -2.705 4.361 13.540 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.896 5.986 15.253 1.00 0.00 C ATOM 0 H LEU A 66 -6.117 4.304 16.945 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.130 3.459 14.338 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.538 5.644 15.216 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.942 4.931 16.701 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.098 3.879 15.523 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.695 4.307 13.134 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.205 3.403 13.398 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.263 5.141 13.022 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.898 5.916 14.820 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.441 6.803 14.780 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.814 6.177 16.323 1.00 0.00 H new ATOM 905 N ALA A 67 -4.110 2.159 17.211 1.00 0.00 N ATOM 906 CA ALA A 67 -3.511 0.973 17.808 1.00 0.00 C ATOM 907 C ALA A 67 -4.556 -0.129 17.945 1.00 0.00 C ATOM 908 O ALA A 67 -4.263 -1.319 17.791 1.00 0.00 O ATOM 909 CB ALA A 67 -2.909 1.308 19.164 1.00 0.00 C ATOM 0 H ALA A 67 -4.386 2.876 17.882 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.712 0.618 17.157 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.466 0.411 19.597 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.140 2.071 19.042 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.690 1.682 19.826 1.00 0.00 H new ATOM 915 N ARG A 68 -5.774 0.277 18.240 1.00 0.00 N ATOM 916 CA ARG A 68 -6.882 -0.642 18.356 1.00 0.00 C ATOM 917 C ARG A 68 -7.783 -0.453 17.169 1.00 0.00 C ATOM 918 O ARG A 68 -7.575 0.456 16.395 1.00 0.00 O ATOM 919 CB ARG A 68 -7.666 -0.392 19.646 1.00 0.00 C ATOM 920 CG ARG A 68 -6.828 -0.452 20.905 1.00 0.00 C ATOM 921 CD ARG A 68 -6.120 -1.791 21.057 1.00 0.00 C ATOM 922 NE ARG A 68 -5.238 -1.805 22.225 1.00 0.00 N ATOM 923 CZ ARG A 68 -4.302 -2.728 22.461 1.00 0.00 C ATOM 924 NH1 ARG A 68 -4.114 -3.729 21.612 1.00 0.00 N ATOM 925 NH2 ARG A 68 -3.554 -2.643 23.549 1.00 0.00 N ATOM 0 H ARG A 68 -6.021 1.253 18.405 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.501 -1.663 18.386 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.140 0.588 19.585 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.466 -1.129 19.720 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.089 0.349 20.887 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.465 -0.278 21.773 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.860 -2.586 21.150 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.539 -2.000 20.159 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.346 -1.055 22.908 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.687 -3.799 20.771 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.397 -4.429 21.800 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.693 -1.874 24.205 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.838 -3.346 23.732 1.00 0.00 H new ATOM 939 N PHE A 69 -8.779 -1.311 17.037 1.00 0.00 N ATOM 940 CA PHE A 69 -9.752 -1.252 15.926 1.00 0.00 C ATOM 941 C PHE A 69 -9.106 -1.496 14.544 1.00 0.00 C ATOM 942 O PHE A 69 -9.437 -2.460 13.879 1.00 0.00 O ATOM 943 CB PHE A 69 -10.522 0.081 15.931 1.00 0.00 C ATOM 944 CG PHE A 69 -11.375 0.291 17.156 1.00 0.00 C ATOM 945 CD1 PHE A 69 -12.670 -0.198 17.203 1.00 0.00 C ATOM 946 CD2 PHE A 69 -10.883 0.976 18.257 1.00 0.00 C ATOM 947 CE1 PHE A 69 -13.457 -0.009 18.324 1.00 0.00 C ATOM 948 CE2 PHE A 69 -11.665 1.169 19.379 1.00 0.00 C ATOM 949 CZ PHE A 69 -12.954 0.675 19.412 1.00 0.00 C ATOM 0 H PHE A 69 -8.949 -2.075 17.691 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.455 -2.067 16.096 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.809 0.901 15.853 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.157 0.125 15.046 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -13.070 -0.733 16.354 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.875 1.364 18.237 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.465 -0.396 18.348 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.269 1.705 20.229 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.568 0.824 20.288 1.00 0.00 H new ATOM 959 N ALA A 70 -8.181 -0.627 14.141 1.00 0.00 N ATOM 960 CA ALA A 70 -7.524 -0.718 12.832 1.00 0.00 C ATOM 961 C ALA A 70 -6.784 -2.040 12.663 1.00 0.00 C ATOM 962 O ALA A 70 -7.107 -2.837 11.771 1.00 0.00 O ATOM 963 CB ALA A 70 -6.563 0.442 12.649 1.00 0.00 C ATOM 0 H ALA A 70 -7.864 0.159 14.708 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.300 -0.671 12.068 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.081 0.365 11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.112 1.382 12.709 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.805 0.414 13.432 1.00 0.00 H new ATOM 969 N VAL A 71 -5.793 -2.269 13.518 1.00 0.00 N ATOM 970 CA VAL A 71 -5.004 -3.496 13.476 1.00 0.00 C ATOM 971 C VAL A 71 -5.885 -4.693 13.673 1.00 0.00 C ATOM 972 O VAL A 71 -5.763 -5.668 12.959 1.00 0.00 O ATOM 973 CB VAL A 71 -3.870 -3.489 14.536 1.00 0.00 C ATOM 974 CG1 VAL A 71 -2.984 -4.721 14.386 1.00 0.00 C ATOM 975 CG2 VAL A 71 -3.036 -2.216 14.420 1.00 0.00 C ATOM 0 H VAL A 71 -5.516 -1.618 14.252 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.540 -3.551 12.491 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.328 -3.514 15.525 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.196 -4.696 15.139 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.585 -5.620 14.520 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.537 -4.729 13.392 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.246 -2.229 15.171 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.591 -2.162 13.426 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.674 -1.347 14.580 1.00 0.00 H new ATOM 985 N GLN A 72 -6.808 -4.592 14.600 1.00 0.00 N ATOM 986 CA GLN A 72 -7.699 -5.692 14.892 1.00 0.00 C ATOM 987 C GLN A 72 -8.619 -5.996 13.717 1.00 0.00 C ATOM 988 O GLN A 72 -8.897 -7.139 13.446 1.00 0.00 O ATOM 989 CB GLN A 72 -8.490 -5.434 16.176 1.00 0.00 C ATOM 990 CG GLN A 72 -7.694 -5.722 17.454 1.00 0.00 C ATOM 991 CD GLN A 72 -6.392 -4.945 17.538 1.00 0.00 C ATOM 992 OE1 GLN A 72 -5.351 -5.403 17.077 1.00 0.00 O ATOM 993 NE2 GLN A 72 -6.441 -3.772 18.131 1.00 0.00 N ATOM 0 H GLN A 72 -6.962 -3.758 15.167 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.086 -6.579 15.055 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.818 -4.395 16.188 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.388 -6.052 16.170 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.310 -5.480 18.320 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.477 -6.789 17.506 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.325 -3.425 18.502 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.595 -3.210 18.220 1.00 0.00 H new ATOM 1002 N ALA A 73 -9.058 -4.969 13.006 1.00 0.00 N ATOM 1003 CA ALA A 73 -9.923 -5.162 11.845 1.00 0.00 C ATOM 1004 C ALA A 73 -9.201 -5.949 10.758 1.00 0.00 C ATOM 1005 O ALA A 73 -9.704 -6.961 10.274 1.00 0.00 O ATOM 1006 CB ALA A 73 -10.399 -3.823 11.300 1.00 0.00 C ATOM 0 H ALA A 73 -8.832 -3.995 13.209 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.794 -5.735 12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.042 -3.990 10.436 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.958 -3.294 12.072 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.538 -3.225 11.002 1.00 0.00 H new ATOM 1012 N VAL A 74 -8.009 -5.491 10.396 1.00 0.00 N ATOM 1013 CA VAL A 74 -7.207 -6.162 9.375 1.00 0.00 C ATOM 1014 C VAL A 74 -6.741 -7.526 9.881 1.00 0.00 C ATOM 1015 O VAL A 74 -6.636 -8.491 9.124 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.973 -5.313 8.975 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -5.181 -5.988 7.861 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.399 -3.917 8.553 1.00 0.00 C ATOM 0 H VAL A 74 -7.574 -4.658 10.793 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.837 -6.292 8.495 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.325 -5.230 9.848 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.321 -5.371 7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.837 -6.965 8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.818 -6.111 6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.519 -3.336 8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.073 -3.985 7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.911 -3.427 9.381 1.00 0.00 H new ATOM 1028 N SER A 75 -6.485 -7.594 11.165 1.00 0.00 N ATOM 1029 CA SER A 75 -6.038 -8.809 11.800 1.00 0.00 C ATOM 1030 C SER A 75 -7.186 -9.827 11.985 1.00 0.00 C ATOM 1031 O SER A 75 -6.938 -11.025 12.149 1.00 0.00 O ATOM 1032 CB SER A 75 -5.348 -8.472 13.127 1.00 0.00 C ATOM 1033 OG SER A 75 -3.989 -8.115 12.919 1.00 0.00 O ATOM 0 H SER A 75 -6.582 -6.803 11.802 1.00 0.00 H new ATOM 0 HA SER A 75 -5.314 -9.294 11.145 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.873 -7.651 13.615 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.404 -9.329 13.798 1.00 0.00 H new ATOM 0 HG SER A 75 -3.914 -7.141 12.846 1.00 0.00 H new ATOM 1039 N ARG A 76 -8.433 -9.352 11.941 1.00 0.00 N ATOM 1040 CA ARG A 76 -9.594 -10.245 12.044 1.00 0.00 C ATOM 1041 C ARG A 76 -9.975 -10.781 10.680 1.00 0.00 C ATOM 1042 O ARG A 76 -10.776 -11.716 10.574 1.00 0.00 O ATOM 1043 CB ARG A 76 -10.807 -9.544 12.667 1.00 0.00 C ATOM 1044 CG ARG A 76 -10.706 -9.336 14.167 1.00 0.00 C ATOM 1045 CD ARG A 76 -11.975 -8.714 14.726 1.00 0.00 C ATOM 1046 NE ARG A 76 -12.298 -7.428 14.091 1.00 0.00 N ATOM 1047 CZ ARG A 76 -12.600 -6.311 14.760 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -12.551 -6.290 16.089 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -12.939 -5.211 14.097 1.00 0.00 N ATOM 0 H ARG A 76 -8.666 -8.364 11.836 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.303 -11.068 12.697 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.939 -8.575 12.186 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.700 -10.130 12.453 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.521 -10.292 14.657 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.855 -8.693 14.390 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.807 -9.404 14.585 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.861 -8.567 15.800 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.291 -7.385 13.072 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.282 -7.129 16.603 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.782 -5.435 16.594 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.969 -5.219 13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.170 -4.359 14.607 1.00 0.00 H new ATOM 1063 N LEU A 77 -9.417 -10.178 9.639 1.00 0.00 N ATOM 1064 CA LEU A 77 -9.670 -10.610 8.275 1.00 0.00 C ATOM 1065 C LEU A 77 -9.214 -12.043 8.089 1.00 0.00 C ATOM 1066 O LEU A 77 -8.188 -12.450 8.650 1.00 0.00 O ATOM 1067 CB LEU A 77 -8.934 -9.713 7.278 1.00 0.00 C ATOM 1068 CG LEU A 77 -9.408 -8.269 7.182 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -8.490 -7.480 6.261 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -10.844 -8.211 6.679 1.00 0.00 C ATOM 0 H LEU A 77 -8.782 -9.383 9.716 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.742 -10.540 8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.876 -9.708 7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.015 -10.165 6.289 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.376 -7.823 8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.837 -6.448 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.475 -7.498 6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.500 -7.927 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.166 -7.172 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.902 -8.669 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.493 -8.751 7.368 1.00 0.00 H new ATOM 1171 N TYR A 86 -3.005 -10.923 -0.275 1.00 0.00 N ATOM 1172 CA TYR A 86 -3.245 -9.543 0.107 1.00 0.00 C ATOM 1173 C TYR A 86 -2.292 -8.604 -0.642 1.00 0.00 C ATOM 1174 O TYR A 86 -1.673 -8.996 -1.631 1.00 0.00 O ATOM 1175 CB TYR A 86 -3.095 -9.385 1.635 1.00 0.00 C ATOM 1176 CG TYR A 86 -4.345 -9.764 2.401 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -4.898 -11.036 2.296 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -4.981 -8.841 3.218 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -6.048 -11.373 2.981 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -6.127 -9.168 3.911 1.00 0.00 C ATOM 1181 CZ TYR A 86 -6.660 -10.438 3.788 1.00 0.00 C ATOM 1182 OH TYR A 86 -7.813 -10.769 4.466 1.00 0.00 O ATOM 0 HA TYR A 86 -4.264 -9.271 -0.168 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.265 -10.004 1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.837 -8.351 1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.419 -11.773 1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.570 -7.847 3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.466 -12.364 2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.605 -8.437 4.546 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.584 -11.280 5.270 1.00 0.00 H new ATOM 1192 N ALA A 87 -2.174 -7.370 -0.169 1.00 0.00 N ATOM 1193 CA ALA A 87 -1.297 -6.369 -0.790 1.00 0.00 C ATOM 1194 C ALA A 87 0.181 -6.670 -0.502 1.00 0.00 C ATOM 1195 O ALA A 87 0.974 -5.764 -0.240 1.00 0.00 O ATOM 1196 CB ALA A 87 -1.665 -4.992 -0.271 1.00 0.00 C ATOM 0 H ALA A 87 -2.677 -7.030 0.650 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.436 -6.403 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.017 -4.245 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.703 -4.774 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.540 -4.966 0.812 1.00 0.00 H new ATOM 1202 N GLN A 88 0.528 -7.938 -0.579 1.00 0.00 N ATOM 1203 CA GLN A 88 1.856 -8.405 -0.295 1.00 0.00 C ATOM 1204 C GLN A 88 2.712 -8.405 -1.552 1.00 0.00 C ATOM 1205 O GLN A 88 3.738 -7.743 -1.613 1.00 0.00 O ATOM 1206 CB GLN A 88 1.778 -9.815 0.275 1.00 0.00 C ATOM 1207 CG GLN A 88 3.042 -10.266 0.955 1.00 0.00 C ATOM 1208 CD GLN A 88 3.398 -9.388 2.132 1.00 0.00 C ATOM 1209 OE1 GLN A 88 4.554 -9.210 2.445 1.00 0.00 O ATOM 1210 NE2 GLN A 88 2.401 -8.849 2.802 1.00 0.00 N ATOM 0 H GLN A 88 -0.120 -8.679 -0.845 1.00 0.00 H new ATOM 0 HA GLN A 88 2.317 -7.735 0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.955 -9.863 0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.542 -10.510 -0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.924 -11.295 1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.862 -10.259 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.439 -9.020 2.510 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.591 -8.260 3.613 1.00 0.00 H new ATOM 1219 N ALA A 89 2.274 -9.147 -2.557 1.00 0.00 N ATOM 1220 CA ALA A 89 3.010 -9.246 -3.810 1.00 0.00 C ATOM 1221 C ALA A 89 3.052 -7.900 -4.521 1.00 0.00 C ATOM 1222 O ALA A 89 4.087 -7.483 -5.034 1.00 0.00 O ATOM 1223 CB ALA A 89 2.385 -10.303 -4.707 1.00 0.00 C ATOM 0 H ALA A 89 1.411 -9.691 -2.530 1.00 0.00 H new ATOM 0 HA ALA A 89 4.034 -9.542 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.945 -10.366 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.410 -11.269 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.351 -10.033 -4.922 1.00 0.00 H new ATOM 1229 N PHE A 90 1.926 -7.205 -4.515 1.00 0.00 N ATOM 1230 CA PHE A 90 1.819 -5.912 -5.179 1.00 0.00 C ATOM 1231 C PHE A 90 2.399 -4.791 -4.320 1.00 0.00 C ATOM 1232 O PHE A 90 2.216 -3.618 -4.630 1.00 0.00 O ATOM 1233 CB PHE A 90 0.359 -5.599 -5.514 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.294 -6.613 -6.405 1.00 0.00 C ATOM 1235 CD1 PHE A 90 0.060 -6.709 -7.739 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -1.261 -7.471 -5.908 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -0.539 -7.640 -8.561 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.864 -8.404 -6.726 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.502 -8.489 -8.055 1.00 0.00 C ATOM 0 H PHE A 90 1.069 -7.514 -4.056 1.00 0.00 H new ATOM 0 HA PHE A 90 2.397 -5.972 -6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.208 -5.527 -4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.309 -4.622 -5.995 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.813 -6.048 -8.141 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.546 -7.409 -4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.254 -7.705 -9.601 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.618 -9.067 -6.327 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.972 -9.219 -8.698 1.00 0.00 H new ATOM 1249 N SER A 91 3.114 -5.161 -3.261 1.00 0.00 N ATOM 1250 CA SER A 91 3.694 -4.200 -2.327 1.00 0.00 C ATOM 1251 C SER A 91 4.488 -3.114 -3.058 1.00 0.00 C ATOM 1252 O SER A 91 4.340 -1.931 -2.772 1.00 0.00 O ATOM 1253 CB SER A 91 4.592 -4.926 -1.317 1.00 0.00 C ATOM 1254 OG SER A 91 4.993 -4.073 -0.266 1.00 0.00 O ATOM 0 H SER A 91 3.308 -6.135 -3.026 1.00 0.00 H new ATOM 0 HA SER A 91 2.877 -3.712 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.058 -5.783 -0.906 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.474 -5.314 -1.827 1.00 0.00 H new ATOM 0 HG SER A 91 5.225 -4.610 0.521 1.00 0.00 H new ATOM 1260 N SER A 92 5.299 -3.524 -4.016 1.00 0.00 N ATOM 1261 CA SER A 92 6.134 -2.602 -4.763 1.00 0.00 C ATOM 1262 C SER A 92 5.324 -1.562 -5.543 1.00 0.00 C ATOM 1263 O SER A 92 5.679 -0.382 -5.564 1.00 0.00 O ATOM 1264 CB SER A 92 7.030 -3.372 -5.711 1.00 0.00 C ATOM 1265 OG SER A 92 7.873 -4.259 -5.001 1.00 0.00 O ATOM 0 H SER A 92 5.397 -4.500 -4.297 1.00 0.00 H new ATOM 0 HA SER A 92 6.735 -2.057 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.420 -3.932 -6.419 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.635 -2.676 -6.292 1.00 0.00 H new ATOM 0 HG SER A 92 8.011 -5.073 -5.529 1.00 0.00 H new ATOM 1271 N ALA A 93 4.243 -1.996 -6.165 1.00 0.00 N ATOM 1272 CA ALA A 93 3.428 -1.108 -6.985 1.00 0.00 C ATOM 1273 C ALA A 93 2.487 -0.271 -6.131 1.00 0.00 C ATOM 1274 O ALA A 93 2.076 0.812 -6.524 1.00 0.00 O ATOM 1275 CB ALA A 93 2.640 -1.912 -8.011 1.00 0.00 C ATOM 0 H ALA A 93 3.906 -2.958 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 93 4.098 -0.426 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.036 -1.236 -8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.331 -2.457 -8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.989 -2.619 -7.497 1.00 0.00 H new ATOM 1281 N LEU A 94 2.137 -0.789 -4.975 1.00 0.00 N ATOM 1282 CA LEU A 94 1.244 -0.091 -4.077 1.00 0.00 C ATOM 1283 C LEU A 94 1.997 0.900 -3.194 1.00 0.00 C ATOM 1284 O LEU A 94 1.432 1.892 -2.738 1.00 0.00 O ATOM 1285 CB LEU A 94 0.470 -1.086 -3.228 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.331 -2.126 -4.008 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.061 -3.049 -3.062 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.300 -1.455 -4.963 1.00 0.00 C ATOM 0 H LEU A 94 2.459 -1.695 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 94 0.539 0.480 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.172 -1.606 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.214 -0.534 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 94 0.365 -2.722 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.627 -3.784 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.340 -3.562 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.744 -2.468 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.859 -2.216 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.992 -0.830 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.746 -0.837 -5.669 1.00 0.00 H new ATOM 1300 N PHE A 95 3.262 0.608 -2.930 1.00 0.00 N ATOM 1301 CA PHE A 95 4.092 1.486 -2.119 1.00 0.00 C ATOM 1302 C PHE A 95 4.709 2.584 -2.990 1.00 0.00 C ATOM 1303 O PHE A 95 4.840 3.725 -2.558 1.00 0.00 O ATOM 1304 CB PHE A 95 5.187 0.673 -1.392 1.00 0.00 C ATOM 1305 CG PHE A 95 6.014 1.467 -0.416 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.507 1.795 0.832 1.00 0.00 C ATOM 1307 CD2 PHE A 95 7.301 1.874 -0.741 1.00 0.00 C ATOM 1308 CE1 PHE A 95 6.263 2.514 1.738 1.00 0.00 C ATOM 1309 CE2 PHE A 95 8.061 2.597 0.161 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.541 2.917 1.401 1.00 0.00 C ATOM 0 H PHE A 95 3.736 -0.230 -3.266 1.00 0.00 H new ATOM 0 HA PHE A 95 3.468 1.962 -1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.715 -0.153 -0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.850 0.234 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.508 1.484 1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.713 1.624 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.856 2.760 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.060 2.911 -0.104 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.133 3.482 2.106 1.00 0.00 H new ATOM 1320 N ASN A 96 5.066 2.217 -4.229 1.00 0.00 N ATOM 1321 CA ASN A 96 5.657 3.145 -5.213 1.00 0.00 C ATOM 1322 C ASN A 96 6.835 3.934 -4.658 1.00 0.00 C ATOM 1323 O ASN A 96 6.678 5.048 -4.154 1.00 0.00 O ATOM 1324 CB ASN A 96 4.604 4.089 -5.811 1.00 0.00 C ATOM 1325 CG ASN A 96 3.812 3.440 -6.930 1.00 0.00 C ATOM 1326 OD1 ASN A 96 4.318 2.578 -7.643 1.00 0.00 O ATOM 1327 ND2 ASN A 96 2.576 3.855 -7.101 1.00 0.00 N ATOM 0 H ASN A 96 4.954 1.266 -4.581 1.00 0.00 H new ATOM 0 HA ASN A 96 6.047 2.516 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.920 4.410 -5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.097 4.984 -6.191 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.003 3.459 -7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.190 4.573 -6.488 1.00 0.00 H new ATOM 1334 N ALA A 97 8.018 3.351 -4.757 1.00 0.00 N ATOM 1335 CA ALA A 97 9.232 3.999 -4.279 1.00 0.00 C ATOM 1336 C ALA A 97 9.725 5.044 -5.279 1.00 0.00 C ATOM 1337 O ALA A 97 10.455 5.960 -4.921 1.00 0.00 O ATOM 1338 CB ALA A 97 10.314 2.963 -4.017 1.00 0.00 C ATOM 0 H ALA A 97 8.166 2.428 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 97 9.000 4.509 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.216 3.461 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.967 2.257 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.536 2.428 -4.940 1.00 0.00 H new ATOM 1344 N GLY A 98 9.319 4.893 -6.532 1.00 0.00 N ATOM 1345 CA GLY A 98 9.733 5.824 -7.570 1.00 0.00 C ATOM 1346 C GLY A 98 10.914 5.308 -8.362 1.00 0.00 C ATOM 1347 O GLY A 98 11.218 5.812 -9.434 1.00 0.00 O ATOM 0 H GLY A 98 8.709 4.141 -6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.897 6.008 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.992 6.780 -7.116 1.00 0.00 H new ATOM 1351 N VAL A 99 11.561 4.280 -7.837 1.00 0.00 N ATOM 1352 CA VAL A 99 12.710 3.664 -8.495 1.00 0.00 C ATOM 1353 C VAL A 99 12.231 2.449 -9.300 1.00 0.00 C ATOM 1354 O VAL A 99 12.935 1.450 -9.454 1.00 0.00 O ATOM 1355 CB VAL A 99 13.762 3.210 -7.451 1.00 0.00 C ATOM 1356 CG1 VAL A 99 15.116 2.956 -8.106 1.00 0.00 C ATOM 1357 CG2 VAL A 99 13.889 4.232 -6.329 1.00 0.00 C ATOM 0 H VAL A 99 11.309 3.848 -6.948 1.00 0.00 H new ATOM 0 HA VAL A 99 13.174 4.396 -9.156 1.00 0.00 H new ATOM 0 HB VAL A 99 13.417 2.270 -7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.833 2.639 -7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.015 2.175 -8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.469 3.872 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.633 3.891 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.198 5.191 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.927 4.346 -5.830 1.00 0.00 H new ATOM 1367 N LEU A 100 11.028 2.561 -9.803 1.00 0.00 N ATOM 1368 CA LEU A 100 10.393 1.502 -10.565 1.00 0.00 C ATOM 1369 C LEU A 100 10.123 1.944 -11.994 1.00 0.00 C ATOM 1370 O LEU A 100 10.606 2.984 -12.428 1.00 0.00 O ATOM 1371 CB LEU A 100 9.096 1.061 -9.868 1.00 0.00 C ATOM 1372 CG LEU A 100 8.245 2.174 -9.228 1.00 0.00 C ATOM 1373 CD1 LEU A 100 7.636 3.096 -10.276 1.00 0.00 C ATOM 1374 CD2 LEU A 100 7.164 1.569 -8.357 1.00 0.00 C ATOM 0 H LEU A 100 10.451 3.396 -9.697 1.00 0.00 H new ATOM 0 HA LEU A 100 11.071 0.650 -10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.479 0.537 -10.597 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.354 0.340 -9.092 1.00 0.00 H new ATOM 0 HG LEU A 100 8.904 2.781 -8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.044 3.867 -9.783 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.432 3.565 -10.855 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.996 2.517 -10.942 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.569 2.365 -7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.521 0.933 -8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.623 0.973 -7.568 1.00 0.00 H new ATOM 1386 N ASN A 101 9.355 1.154 -12.717 1.00 0.00 N ATOM 1387 CA ASN A 101 9.026 1.459 -14.088 1.00 0.00 C ATOM 1388 C ASN A 101 7.929 2.521 -14.122 1.00 0.00 C ATOM 1389 O ASN A 101 6.773 2.243 -13.812 1.00 0.00 O ATOM 1390 CB ASN A 101 8.595 0.173 -14.809 1.00 0.00 C ATOM 1391 CG ASN A 101 8.338 0.370 -16.284 1.00 0.00 C ATOM 1392 OD1 ASN A 101 9.266 0.387 -17.093 1.00 0.00 O ATOM 1393 ND2 ASN A 101 7.083 0.465 -16.650 1.00 0.00 N ATOM 0 H ASN A 101 8.945 0.287 -12.370 1.00 0.00 H new ATOM 0 HA ASN A 101 9.898 1.858 -14.607 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.369 -0.584 -14.680 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.691 -0.213 -14.339 1.00 0.00 H new ATOM 0 HD21 ASN A 101 6.845 0.557 -17.638 1.00 0.00 H new ATOM 0 HD22 ASN A 101 6.344 0.447 -15.947 1.00 0.00 H new ATOM 1400 N ALA A 102 8.311 3.736 -14.485 1.00 0.00 N ATOM 1401 CA ALA A 102 7.406 4.885 -14.480 1.00 0.00 C ATOM 1402 C ALA A 102 6.279 4.742 -15.494 1.00 0.00 C ATOM 1403 O ALA A 102 5.174 5.249 -15.279 1.00 0.00 O ATOM 1404 CB ALA A 102 8.183 6.170 -14.729 1.00 0.00 C ATOM 0 H ALA A 102 9.258 3.958 -14.793 1.00 0.00 H new ATOM 0 HA ALA A 102 6.945 4.927 -13.493 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.497 7.017 -14.723 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.929 6.302 -13.946 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.680 6.113 -15.697 1.00 0.00 H new ATOM 1410 N SER A 103 6.539 4.029 -16.581 1.00 0.00 N ATOM 1411 CA SER A 103 5.540 3.861 -17.620 1.00 0.00 C ATOM 1412 C SER A 103 4.439 2.926 -17.146 1.00 0.00 C ATOM 1413 O SER A 103 3.342 2.916 -17.683 1.00 0.00 O ATOM 1414 CB SER A 103 6.183 3.365 -18.923 1.00 0.00 C ATOM 1415 OG SER A 103 7.096 2.311 -18.680 1.00 0.00 O ATOM 0 H SER A 103 7.427 3.562 -16.763 1.00 0.00 H new ATOM 0 HA SER A 103 5.089 4.830 -17.831 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.406 3.025 -19.607 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.700 4.190 -19.413 1.00 0.00 H new ATOM 0 HG SER A 103 7.488 2.016 -19.528 1.00 0.00 H new ATOM 1421 N ASN A 104 4.741 2.167 -16.108 1.00 0.00 N ATOM 1422 CA ASN A 104 3.777 1.264 -15.506 1.00 0.00 C ATOM 1423 C ASN A 104 2.621 2.065 -14.920 1.00 0.00 C ATOM 1424 O ASN A 104 1.456 1.812 -15.220 1.00 0.00 O ATOM 1425 CB ASN A 104 4.482 0.425 -14.427 1.00 0.00 C ATOM 1426 CG ASN A 104 3.548 -0.219 -13.411 1.00 0.00 C ATOM 1427 OD1 ASN A 104 2.436 -0.609 -13.721 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.016 -0.329 -12.182 1.00 0.00 N ATOM 0 H ASN A 104 5.657 2.159 -15.660 1.00 0.00 H new ATOM 0 HA ASN A 104 3.369 0.589 -16.259 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.061 -0.359 -14.916 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.191 1.061 -13.897 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.441 -0.752 -11.453 1.00 0.00 H new ATOM 0 HD22 ASN A 104 4.952 0.009 -11.961 1.00 0.00 H new ATOM 1435 N ILE A 105 2.952 3.065 -14.123 1.00 0.00 N ATOM 1436 CA ILE A 105 1.940 3.897 -13.491 1.00 0.00 C ATOM 1437 C ILE A 105 1.295 4.837 -14.509 1.00 0.00 C ATOM 1438 O ILE A 105 0.088 5.108 -14.447 1.00 0.00 O ATOM 1439 CB ILE A 105 2.516 4.706 -12.276 1.00 0.00 C ATOM 1440 CG1 ILE A 105 2.812 3.782 -11.076 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.567 5.822 -11.848 1.00 0.00 C ATOM 1442 CD1 ILE A 105 3.936 2.792 -11.300 1.00 0.00 C ATOM 0 H ILE A 105 3.913 3.322 -13.897 1.00 0.00 H new ATOM 0 HA ILE A 105 1.173 3.228 -13.100 1.00 0.00 H new ATOM 0 HB ILE A 105 3.451 5.156 -12.609 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.057 4.399 -10.212 1.00 0.00 H new ATOM 0 HG13 ILE A 105 1.905 3.231 -10.827 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.997 6.362 -11.004 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.416 6.510 -12.680 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.609 5.392 -11.554 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.071 2.186 -10.404 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.688 2.145 -12.141 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.858 3.331 -11.516 1.00 0.00 H new ATOM 1454 N ASP A 106 2.089 5.302 -15.453 1.00 0.00 N ATOM 1455 CA ASP A 106 1.600 6.205 -16.488 1.00 0.00 C ATOM 1456 C ASP A 106 0.617 5.502 -17.422 1.00 0.00 C ATOM 1457 O ASP A 106 -0.356 6.100 -17.878 1.00 0.00 O ATOM 1458 CB ASP A 106 2.773 6.767 -17.301 1.00 0.00 C ATOM 1459 CG ASP A 106 2.327 7.726 -18.388 1.00 0.00 C ATOM 1460 OD1 ASP A 106 2.056 8.900 -18.072 1.00 0.00 O ATOM 1461 OD2 ASP A 106 2.245 7.311 -19.563 1.00 0.00 O ATOM 0 H ASP A 106 3.080 5.071 -15.529 1.00 0.00 H new ATOM 0 HA ASP A 106 1.076 7.023 -15.993 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.462 7.280 -16.630 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.324 5.942 -17.754 1.00 0.00 H new ATOM 1466 N THR A 107 0.859 4.232 -17.678 1.00 0.00 N ATOM 1467 CA THR A 107 0.043 3.481 -18.615 1.00 0.00 C ATOM 1468 C THR A 107 -1.103 2.724 -17.939 1.00 0.00 C ATOM 1469 O THR A 107 -2.272 2.979 -18.224 1.00 0.00 O ATOM 1470 CB THR A 107 0.906 2.495 -19.436 1.00 0.00 C ATOM 1471 OG1 THR A 107 1.884 3.222 -20.192 1.00 0.00 O ATOM 1472 CG2 THR A 107 0.047 1.664 -20.381 1.00 0.00 C ATOM 0 H THR A 107 1.615 3.697 -17.251 1.00 0.00 H new ATOM 0 HA THR A 107 -0.403 4.219 -19.282 1.00 0.00 H new ATOM 0 HB THR A 107 1.403 1.819 -18.740 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.680 3.370 -19.640 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.682 0.981 -20.944 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.680 1.092 -19.804 1.00 0.00 H new ATOM 0 HG23 THR A 107 -0.477 2.324 -21.072 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.777 1.816 -17.039 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.795 0.962 -16.449 1.00 0.00 C ATOM 1482 C LEU A 108 -2.148 1.371 -15.031 1.00 0.00 C ATOM 1483 O LEU A 108 -3.299 1.285 -14.635 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.338 -0.495 -16.477 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.110 -0.818 -15.626 1.00 0.00 C ATOM 1486 CD1 LEU A 108 -0.477 -1.739 -14.464 1.00 0.00 C ATOM 1487 CD2 LEU A 108 0.995 -1.424 -16.480 1.00 0.00 C ATOM 0 H LEU A 108 0.171 1.650 -16.702 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.697 1.076 -17.050 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.164 -1.123 -16.144 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.125 -0.771 -17.510 1.00 0.00 H new ATOM 0 HG LEU A 108 0.265 0.115 -15.204 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.414 -1.953 -13.874 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.220 -1.251 -13.834 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.887 -2.671 -14.854 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.859 -1.646 -15.853 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.635 -2.344 -16.941 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.283 -0.717 -17.258 1.00 0.00 H new ATOM 1499 N GLY A 109 -1.161 1.825 -14.280 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.381 2.174 -12.889 1.00 0.00 C ATOM 1501 C GLY A 109 -2.531 3.144 -12.672 1.00 0.00 C ATOM 1502 O GLY A 109 -3.493 2.834 -11.964 1.00 0.00 O ATOM 0 H GLY A 109 -0.205 1.960 -14.608 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.575 1.263 -12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.468 2.612 -12.486 1.00 0.00 H new ATOM 1506 N SER A 110 -2.443 4.300 -13.288 1.00 0.00 N ATOM 1507 CA SER A 110 -3.448 5.334 -13.121 1.00 0.00 C ATOM 1508 C SER A 110 -4.774 4.973 -13.810 1.00 0.00 C ATOM 1509 O SER A 110 -5.823 5.515 -13.472 1.00 0.00 O ATOM 1510 CB SER A 110 -2.909 6.658 -13.655 1.00 0.00 C ATOM 1511 OG SER A 110 -2.344 6.481 -14.946 1.00 0.00 O ATOM 0 H SER A 110 -1.680 4.553 -13.916 1.00 0.00 H new ATOM 0 HA SER A 110 -3.661 5.427 -12.056 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.713 7.393 -13.701 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.156 7.052 -12.973 1.00 0.00 H new ATOM 0 HG SER A 110 -1.429 6.141 -14.859 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.719 4.065 -14.774 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.918 3.663 -15.512 1.00 0.00 C ATOM 1519 C ARG A 111 -6.659 2.513 -14.832 1.00 0.00 C ATOM 1520 O ARG A 111 -7.860 2.598 -14.576 1.00 0.00 O ATOM 1521 CB ARG A 111 -5.575 3.277 -16.954 1.00 0.00 C ATOM 1522 CG ARG A 111 -5.453 4.454 -17.912 1.00 0.00 C ATOM 1523 CD ARG A 111 -4.264 5.345 -17.588 1.00 0.00 C ATOM 1524 NE ARG A 111 -4.139 6.433 -18.556 1.00 0.00 N ATOM 1525 CZ ARG A 111 -3.733 7.672 -18.271 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -3.337 7.990 -17.043 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -3.709 8.590 -19.227 1.00 0.00 N ATOM 0 H ARG A 111 -3.864 3.592 -15.066 1.00 0.00 H new ATOM 0 HA ARG A 111 -6.580 4.529 -15.521 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.635 2.725 -16.955 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.343 2.599 -17.327 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -5.356 4.081 -18.931 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -6.368 5.046 -17.875 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.378 5.758 -16.586 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -3.351 4.750 -17.586 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.381 6.229 -19.526 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -3.341 7.284 -16.307 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.029 8.940 -16.837 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.000 8.348 -20.174 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.400 9.539 -19.015 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.939 1.446 -14.544 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.530 0.247 -13.971 1.00 0.00 C ATOM 1543 C VAL A 112 -6.812 0.419 -12.480 1.00 0.00 C ATOM 1544 O VAL A 112 -7.918 0.147 -12.016 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.620 -0.985 -14.187 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.302 -2.247 -13.696 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.238 -1.123 -15.654 1.00 0.00 C ATOM 0 H VAL A 112 -4.933 1.383 -14.699 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.476 0.083 -14.488 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.708 -0.838 -13.608 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -5.645 -3.102 -13.857 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.520 -2.152 -12.632 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.232 -2.395 -14.245 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.598 -1.996 -15.783 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.139 -1.242 -16.255 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.703 -0.230 -15.976 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.815 0.867 -11.733 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.983 1.067 -10.300 1.00 0.00 C ATOM 1559 C LEU A 113 -6.714 2.378 -10.041 1.00 0.00 C ATOM 1560 O LEU A 113 -7.426 2.525 -9.046 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.633 1.035 -9.558 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.883 -0.314 -9.549 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -3.366 -0.673 -10.932 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -2.738 -0.280 -8.553 1.00 0.00 C ATOM 0 H LEU A 113 -4.888 1.098 -12.090 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.582 0.244 -9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.980 1.785 -10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.805 1.337 -8.525 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.593 -1.084 -9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.843 -1.628 -10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.204 -0.749 -11.625 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.680 0.101 -11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.221 -1.239 -8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.040 0.511 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.130 -0.087 -7.554 1.00 0.00 H new ATOM 1576 N SER A 114 -6.511 3.322 -10.950 1.00 0.00 N ATOM 1577 CA SER A 114 -7.188 4.615 -10.947 1.00 0.00 C ATOM 1578 C SER A 114 -7.112 5.353 -9.590 1.00 0.00 C ATOM 1579 O SER A 114 -6.081 5.951 -9.253 1.00 0.00 O ATOM 1580 CB SER A 114 -8.650 4.457 -11.419 1.00 0.00 C ATOM 1581 OG SER A 114 -9.301 5.711 -11.522 1.00 0.00 O ATOM 0 H SER A 114 -5.859 3.210 -11.726 1.00 0.00 H new ATOM 0 HA SER A 114 -6.651 5.248 -11.653 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.669 3.956 -12.387 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.192 3.821 -10.720 1.00 0.00 H new ATOM 0 HG SER A 114 -10.223 5.577 -11.824 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.192 5.273 -8.815 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.325 6.002 -7.555 1.00 0.00 C ATOM 1589 C ALA A 115 -7.243 5.646 -6.544 1.00 0.00 C ATOM 1590 O ALA A 115 -6.793 6.508 -5.787 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.702 5.763 -6.957 1.00 0.00 C ATOM 0 H ALA A 115 -9.003 4.698 -9.044 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.201 7.060 -7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.791 6.310 -6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.466 6.109 -7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.838 4.698 -6.770 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.817 4.391 -6.539 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.831 3.940 -5.569 1.00 0.00 C ATOM 1599 C LEU A 116 -4.520 4.683 -5.715 1.00 0.00 C ATOM 1600 O LEU A 116 -4.079 5.346 -4.784 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.590 2.438 -5.670 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.561 1.870 -4.685 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -4.958 2.178 -3.250 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.405 0.377 -4.881 1.00 0.00 C ATOM 0 H LEU A 116 -7.135 3.673 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.242 4.159 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.538 1.924 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.264 2.207 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.602 2.348 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.213 1.765 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.016 3.258 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.930 1.732 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.671 -0.008 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.363 -0.114 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.068 0.177 -5.898 1.00 0.00 H new ATOM 1616 N LEU A 117 -3.908 4.592 -6.886 1.00 0.00 N ATOM 1617 CA LEU A 117 -2.619 5.221 -7.098 1.00 0.00 C ATOM 1618 C LEU A 117 -2.699 6.730 -6.979 1.00 0.00 C ATOM 1619 O LEU A 117 -1.736 7.363 -6.580 1.00 0.00 O ATOM 1620 CB LEU A 117 -1.991 4.796 -8.420 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.592 3.318 -8.508 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -0.742 3.068 -9.732 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.855 2.873 -7.248 1.00 0.00 C ATOM 0 H LEU A 117 -4.280 4.094 -7.694 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.963 4.871 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.693 5.015 -9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.105 5.406 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.505 2.729 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.469 2.014 -9.776 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.305 3.335 -10.626 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.162 3.675 -9.677 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.584 1.821 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.048 3.471 -7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.502 3.009 -6.381 1.00 0.00 H new ATOM 1635 N ASN A 118 -3.856 7.301 -7.302 1.00 0.00 N ATOM 1636 CA ASN A 118 -4.051 8.741 -7.139 1.00 0.00 C ATOM 1637 C ASN A 118 -3.894 9.126 -5.675 1.00 0.00 C ATOM 1638 O ASN A 118 -3.247 10.121 -5.345 1.00 0.00 O ATOM 1639 CB ASN A 118 -5.431 9.180 -7.656 1.00 0.00 C ATOM 1640 CG ASN A 118 -5.427 9.533 -9.134 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -5.196 10.683 -9.507 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -5.689 8.559 -9.983 1.00 0.00 N ATOM 0 H ASN A 118 -4.663 6.799 -7.673 1.00 0.00 H new ATOM 0 HA ASN A 118 -3.292 9.254 -7.730 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -6.150 8.379 -7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -5.770 10.043 -7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.705 8.747 -10.985 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.876 7.618 -9.637 1.00 0.00 H new ATOM 1649 N GLY A 119 -4.471 8.315 -4.795 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.361 8.561 -3.372 1.00 0.00 C ATOM 1651 C GLY A 119 -2.997 8.170 -2.836 1.00 0.00 C ATOM 1652 O GLY A 119 -2.511 8.747 -1.865 1.00 0.00 O ATOM 0 H GLY A 119 -5.015 7.489 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.541 9.617 -3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.133 8.000 -2.845 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.377 7.186 -3.471 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.052 6.737 -3.070 1.00 0.00 C ATOM 1658 C VAL A 120 0.015 7.770 -3.463 1.00 0.00 C ATOM 1659 O VAL A 120 1.039 7.907 -2.780 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.700 5.350 -3.687 1.00 0.00 C ATOM 1661 CG1 VAL A 120 0.735 4.954 -3.366 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -1.663 4.280 -3.185 1.00 0.00 C ATOM 0 H VAL A 120 -2.771 6.683 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.064 6.631 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.798 5.433 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.952 3.982 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.418 5.699 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.863 4.897 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.401 3.319 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.596 4.211 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.681 4.545 -3.469 1.00 0.00 H new ATOM 1672 N SER A 121 -0.239 8.501 -4.553 1.00 0.00 N ATOM 1673 CA SER A 121 0.677 9.534 -5.028 1.00 0.00 C ATOM 1674 C SER A 121 0.966 10.568 -3.945 1.00 0.00 C ATOM 1675 O SER A 121 2.088 11.039 -3.814 1.00 0.00 O ATOM 1676 CB SER A 121 0.126 10.212 -6.287 1.00 0.00 C ATOM 1677 OG SER A 121 0.163 9.323 -7.395 1.00 0.00 O ATOM 0 H SER A 121 -1.078 8.393 -5.124 1.00 0.00 H new ATOM 0 HA SER A 121 1.619 9.046 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.899 10.539 -6.111 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.711 11.104 -6.511 1.00 0.00 H new ATOM 0 HG SER A 121 1.052 8.915 -7.458 1.00 0.00 H new ATOM 1683 N SER A 122 -0.049 10.929 -3.186 1.00 0.00 N ATOM 1684 CA SER A 122 0.119 11.856 -2.091 1.00 0.00 C ATOM 1685 C SER A 122 0.560 11.129 -0.812 1.00 0.00 C ATOM 1686 O SER A 122 1.213 11.709 0.055 1.00 0.00 O ATOM 1687 CB SER A 122 -1.183 12.612 -1.858 1.00 0.00 C ATOM 1688 OG SER A 122 -2.286 11.723 -1.887 1.00 0.00 O ATOM 0 H SER A 122 -1.003 10.591 -3.311 1.00 0.00 H new ATOM 0 HA SER A 122 0.904 12.566 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.146 13.124 -0.896 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.307 13.379 -2.622 1.00 0.00 H new ATOM 0 HG SER A 122 -3.114 12.224 -1.734 1.00 0.00 H new ATOM 1694 N ALA A 123 0.214 9.852 -0.721 1.00 0.00 N ATOM 1695 CA ALA A 123 0.491 9.061 0.467 1.00 0.00 C ATOM 1696 C ALA A 123 1.913 8.476 0.494 1.00 0.00 C ATOM 1697 O ALA A 123 2.847 9.119 0.971 1.00 0.00 O ATOM 1698 CB ALA A 123 -0.548 7.957 0.616 1.00 0.00 C ATOM 0 H ALA A 123 -0.263 9.340 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 123 0.428 9.741 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.331 7.371 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.540 8.400 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.518 7.309 -0.260 1.00 0.00 H new ATOM 1704 N ALA A 124 2.067 7.266 -0.036 1.00 0.00 N ATOM 1705 CA ALA A 124 3.344 6.554 0.009 1.00 0.00 C ATOM 1706 C ALA A 124 4.361 7.181 -0.913 1.00 0.00 C ATOM 1707 O ALA A 124 5.530 7.323 -0.563 1.00 0.00 O ATOM 1708 CB ALA A 124 3.142 5.095 -0.351 1.00 0.00 C ATOM 0 H ALA A 124 1.320 6.754 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 124 3.729 6.623 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 124 4.099 4.575 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.453 4.637 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.728 5.022 -1.357 1.00 0.00 H new ATOM 1714 N GLN A 125 3.912 7.552 -2.085 1.00 0.00 N ATOM 1715 CA GLN A 125 4.764 8.166 -3.070 1.00 0.00 C ATOM 1716 C GLN A 125 5.014 9.634 -2.716 1.00 0.00 C ATOM 1717 O GLN A 125 6.032 10.220 -3.093 1.00 0.00 O ATOM 1718 CB GLN A 125 4.112 8.041 -4.449 1.00 0.00 C ATOM 1719 CG GLN A 125 4.804 8.823 -5.542 1.00 0.00 C ATOM 1720 CD GLN A 125 4.111 8.703 -6.885 1.00 0.00 C ATOM 1721 OE1 GLN A 125 2.898 8.489 -6.962 1.00 0.00 O ATOM 1722 NE2 GLN A 125 4.869 8.862 -7.947 1.00 0.00 N ATOM 0 H GLN A 125 2.943 7.436 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 125 5.728 7.657 -3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 125 4.088 6.989 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.077 8.376 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 125 4.851 9.874 -5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 125 5.832 8.473 -5.637 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.868 9.037 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 125 4.458 8.810 -8.879 1.00 0.00 H new ATOM 1731 N GLY A 126 4.091 10.207 -1.964 1.00 0.00 N ATOM 1732 CA GLY A 126 4.187 11.601 -1.605 1.00 0.00 C ATOM 1733 C GLY A 126 5.083 11.855 -0.417 1.00 0.00 C ATOM 1734 O GLY A 126 6.126 12.491 -0.549 1.00 0.00 O ATOM 0 H GLY A 126 3.271 9.726 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.562 12.164 -2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.189 11.981 -1.386 1.00 0.00 H new ATOM 1738 N LEU A 127 4.690 11.357 0.744 1.00 0.00 N ATOM 1739 CA LEU A 127 5.451 11.607 1.963 1.00 0.00 C ATOM 1740 C LEU A 127 6.014 10.322 2.551 1.00 0.00 C ATOM 1741 O LEU A 127 7.010 10.345 3.273 1.00 0.00 O ATOM 1742 CB LEU A 127 4.566 12.308 3.003 1.00 0.00 C ATOM 1743 CG LEU A 127 3.971 13.659 2.579 1.00 0.00 C ATOM 1744 CD1 LEU A 127 3.036 14.193 3.657 1.00 0.00 C ATOM 1745 CD2 LEU A 127 5.077 14.670 2.289 1.00 0.00 C ATOM 0 H LEU A 127 3.857 10.782 0.871 1.00 0.00 H new ATOM 0 HA LEU A 127 6.290 12.251 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 127 3.747 11.638 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.154 12.460 3.908 1.00 0.00 H new ATOM 0 HG LEU A 127 3.397 13.506 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.624 15.151 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 127 2.224 13.484 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 127 3.590 14.327 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 127 4.633 15.620 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.680 14.817 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 127 5.710 14.296 1.484 1.00 0.00 H new ATOM 1757 N GLY A 128 5.389 9.208 2.233 1.00 0.00 N ATOM 1758 CA GLY A 128 5.816 7.947 2.792 1.00 0.00 C ATOM 1759 C GLY A 128 4.980 7.582 3.994 1.00 0.00 C ATOM 1760 O GLY A 128 5.144 8.158 5.068 1.00 0.00 O ATOM 0 H GLY A 128 4.593 9.151 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.737 7.164 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.866 8.008 3.079 1.00 0.00 H new ATOM 1764 N ILE A 129 4.074 6.641 3.807 1.00 0.00 N ATOM 1765 CA ILE A 129 3.163 6.232 4.866 1.00 0.00 C ATOM 1766 C ILE A 129 3.889 5.501 5.989 1.00 0.00 C ATOM 1767 O ILE A 129 4.655 4.567 5.746 1.00 0.00 O ATOM 1768 CB ILE A 129 2.052 5.305 4.337 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.372 5.903 3.106 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.028 5.051 5.433 1.00 0.00 C ATOM 1771 CD1 ILE A 129 0.474 4.921 2.377 1.00 0.00 C ATOM 0 H ILE A 129 3.947 6.141 2.927 1.00 0.00 H new ATOM 0 HA ILE A 129 2.724 7.153 5.250 1.00 0.00 H new ATOM 0 HB ILE A 129 2.506 4.359 4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 129 0.781 6.767 3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 129 2.136 6.265 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.244 4.395 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.517 4.578 6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.588 5.998 5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.024 5.411 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 129 1.064 4.068 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.312 4.578 3.050 1.00 0.00 H new ATOM 1783 N ASN A 130 3.635 5.930 7.209 1.00 0.00 N ATOM 1784 CA ASN A 130 4.189 5.291 8.385 1.00 0.00 C ATOM 1785 C ASN A 130 3.048 4.814 9.275 1.00 0.00 C ATOM 1786 O ASN A 130 2.133 5.578 9.588 1.00 0.00 O ATOM 1787 CB ASN A 130 5.091 6.259 9.155 1.00 0.00 C ATOM 1788 CG ASN A 130 5.795 5.595 10.327 1.00 0.00 C ATOM 1789 OD1 ASN A 130 6.109 4.401 10.284 1.00 0.00 O ATOM 1790 ND2 ASN A 130 6.043 6.356 11.376 1.00 0.00 N ATOM 0 H ASN A 130 3.038 6.732 7.413 1.00 0.00 H new ATOM 0 HA ASN A 130 4.796 4.440 8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 130 5.836 6.674 8.476 1.00 0.00 H new ATOM 0 HB3 ASN A 130 4.493 7.094 9.521 1.00 0.00 H new ATOM 0 HD21 ASN A 130 6.511 5.962 12.192 1.00 0.00 H new ATOM 0 HD22 ASN A 130 5.767 7.338 11.370 1.00 0.00 H new ATOM 1797 N VAL A 131 3.089 3.555 9.659 1.00 0.00 N ATOM 1798 CA VAL A 131 2.039 2.977 10.479 1.00 0.00 C ATOM 1799 C VAL A 131 2.465 2.958 11.957 1.00 0.00 C ATOM 1800 O VAL A 131 3.639 3.168 12.269 1.00 0.00 O ATOM 1801 CB VAL A 131 1.669 1.541 9.985 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.420 1.007 10.681 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.466 1.540 8.483 1.00 0.00 C ATOM 0 H VAL A 131 3.840 2.909 9.417 1.00 0.00 H new ATOM 0 HA VAL A 131 1.149 3.599 10.386 1.00 0.00 H new ATOM 0 HB VAL A 131 2.499 0.882 10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.196 0.007 10.310 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.593 0.965 11.756 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.422 1.667 10.474 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.209 0.534 8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.658 2.225 8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.385 1.860 7.991 1.00 0.00 H new ATOM 1813 N ASP A 132 1.508 2.694 12.849 1.00 0.00 N ATOM 1814 CA ASP A 132 1.749 2.688 14.290 1.00 0.00 C ATOM 1815 C ASP A 132 2.835 1.679 14.680 1.00 0.00 C ATOM 1816 O ASP A 132 3.036 0.652 14.007 1.00 0.00 O ATOM 1817 CB ASP A 132 0.446 2.383 15.037 1.00 0.00 C ATOM 1818 CG ASP A 132 0.607 2.426 16.542 1.00 0.00 C ATOM 1819 OD1 ASP A 132 0.596 3.535 17.113 1.00 0.00 O ATOM 1820 OD2 ASP A 132 0.754 1.357 17.153 1.00 0.00 O ATOM 0 H ASP A 132 0.545 2.479 12.591 1.00 0.00 H new ATOM 0 HA ASP A 132 2.105 3.678 14.574 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -0.316 3.103 14.737 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.087 1.397 14.743 1.00 0.00 H new ATOM 1825 N SER A 133 3.519 1.977 15.771 1.00 0.00 N ATOM 1826 CA SER A 133 4.637 1.187 16.239 1.00 0.00 C ATOM 1827 C SER A 133 4.209 -0.127 16.900 1.00 0.00 C ATOM 1828 O SER A 133 5.059 -0.911 17.312 1.00 0.00 O ATOM 1829 CB SER A 133 5.480 2.012 17.205 1.00 0.00 C ATOM 1830 OG SER A 133 5.817 3.269 16.632 1.00 0.00 O ATOM 0 H SER A 133 3.309 2.783 16.360 1.00 0.00 H new ATOM 0 HA SER A 133 5.227 0.916 15.363 1.00 0.00 H new ATOM 0 HB2 SER A 133 4.931 2.166 18.134 1.00 0.00 H new ATOM 0 HB3 SER A 133 6.389 1.467 17.458 1.00 0.00 H new ATOM 0 HG SER A 133 6.356 3.784 17.268 1.00 0.00 H new ATOM 1836 N GLY A 134 2.906 -0.355 17.004 1.00 0.00 N ATOM 1837 CA GLY A 134 2.407 -1.578 17.607 1.00 0.00 C ATOM 1838 C GLY A 134 2.917 -2.837 16.919 1.00 0.00 C ATOM 1839 O GLY A 134 3.758 -3.559 17.466 1.00 0.00 O ATOM 0 H GLY A 134 2.183 0.287 16.681 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.698 -1.603 18.657 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.317 -1.572 17.578 1.00 0.00 H new ATOM 1843 N SER A 135 2.418 -3.099 15.728 1.00 0.00 N ATOM 1844 CA SER A 135 2.792 -4.301 14.996 1.00 0.00 C ATOM 1845 C SER A 135 3.731 -4.001 13.818 1.00 0.00 C ATOM 1846 O SER A 135 4.851 -4.510 13.765 1.00 0.00 O ATOM 1847 CB SER A 135 1.532 -5.013 14.505 1.00 0.00 C ATOM 1848 OG SER A 135 0.612 -5.210 15.572 1.00 0.00 O ATOM 0 H SER A 135 1.752 -2.498 15.243 1.00 0.00 H new ATOM 0 HA SER A 135 3.341 -4.949 15.680 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.061 -4.425 13.717 1.00 0.00 H new ATOM 0 HB3 SER A 135 1.800 -5.975 14.068 1.00 0.00 H new ATOM 0 HG SER A 135 -0.187 -5.666 15.235 1.00 0.00 H new ATOM 1854 N VAL A 136 3.272 -3.151 12.898 1.00 0.00 N ATOM 1855 CA VAL A 136 4.007 -2.846 11.663 1.00 0.00 C ATOM 1856 C VAL A 136 5.453 -2.419 11.914 1.00 0.00 C ATOM 1857 O VAL A 136 6.381 -3.020 11.373 1.00 0.00 O ATOM 1858 CB VAL A 136 3.283 -1.766 10.834 1.00 0.00 C ATOM 1859 CG1 VAL A 136 4.058 -1.446 9.562 1.00 0.00 C ATOM 1860 CG2 VAL A 136 1.872 -2.225 10.496 1.00 0.00 C ATOM 0 H VAL A 136 2.385 -2.655 12.984 1.00 0.00 H new ATOM 0 HA VAL A 136 4.036 -3.778 11.099 1.00 0.00 H new ATOM 0 HB VAL A 136 3.224 -0.856 11.431 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.527 -0.682 8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.051 -1.080 9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.152 -2.348 8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.369 -1.455 9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.918 -3.148 9.918 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.316 -2.401 11.417 1.00 0.00 H new ATOM 1870 N GLN A 137 5.643 -1.396 12.742 1.00 0.00 N ATOM 1871 CA GLN A 137 6.981 -0.883 13.015 1.00 0.00 C ATOM 1872 C GLN A 137 7.871 -1.966 13.627 1.00 0.00 C ATOM 1873 O GLN A 137 9.033 -2.112 13.250 1.00 0.00 O ATOM 1874 CB GLN A 137 6.908 0.308 13.952 1.00 0.00 C ATOM 1875 CG GLN A 137 8.129 1.207 13.896 1.00 0.00 C ATOM 1876 CD GLN A 137 8.142 2.108 12.668 1.00 0.00 C ATOM 1877 OE1 GLN A 137 9.198 2.440 12.144 1.00 0.00 O ATOM 1878 NE2 GLN A 137 6.968 2.537 12.225 1.00 0.00 N ATOM 0 H GLN A 137 4.893 -0.909 13.232 1.00 0.00 H new ATOM 0 HA GLN A 137 7.419 -0.570 12.067 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.024 0.897 13.708 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.780 -0.052 14.973 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.162 1.824 14.794 1.00 0.00 H new ATOM 0 HG3 GLN A 137 9.028 0.591 13.899 1.00 0.00 H new ATOM 0 HE21 GLN A 137 6.109 2.239 12.687 1.00 0.00 H new ATOM 0 HE22 GLN A 137 6.924 3.165 11.422 1.00 0.00 H new ATOM 1887 N SER A 138 7.305 -2.729 14.558 1.00 0.00 N ATOM 1888 CA SER A 138 8.030 -3.796 15.234 1.00 0.00 C ATOM 1889 C SER A 138 8.559 -4.822 14.232 1.00 0.00 C ATOM 1890 O SER A 138 9.698 -5.291 14.344 1.00 0.00 O ATOM 1891 CB SER A 138 7.114 -4.478 16.253 1.00 0.00 C ATOM 1892 OG SER A 138 6.533 -3.522 17.129 1.00 0.00 O ATOM 0 H SER A 138 6.337 -2.625 14.862 1.00 0.00 H new ATOM 0 HA SER A 138 8.884 -3.359 15.751 1.00 0.00 H new ATOM 0 HB2 SER A 138 6.328 -5.026 15.733 1.00 0.00 H new ATOM 0 HB3 SER A 138 7.683 -5.207 16.829 1.00 0.00 H new ATOM 0 HG SER A 138 5.561 -3.647 17.151 1.00 0.00 H new ATOM 1898 N ASP A 139 7.738 -5.149 13.243 1.00 0.00 N ATOM 1899 CA ASP A 139 8.109 -6.120 12.229 1.00 0.00 C ATOM 1900 C ASP A 139 9.131 -5.558 11.266 1.00 0.00 C ATOM 1901 O ASP A 139 10.196 -6.131 11.090 1.00 0.00 O ATOM 1902 CB ASP A 139 6.883 -6.607 11.454 1.00 0.00 C ATOM 1903 CG ASP A 139 6.156 -7.735 12.146 1.00 0.00 C ATOM 1904 OD1 ASP A 139 6.697 -8.860 12.196 1.00 0.00 O ATOM 1905 OD2 ASP A 139 5.026 -7.514 12.622 1.00 0.00 O ATOM 0 H ASP A 139 6.806 -4.752 13.123 1.00 0.00 H new ATOM 0 HA ASP A 139 8.556 -6.966 12.751 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.196 -5.773 11.311 1.00 0.00 H new ATOM 0 HB3 ASP A 139 7.194 -6.937 10.463 1.00 0.00 H new ATOM 1910 N ILE A 140 8.818 -4.422 10.661 1.00 0.00 N ATOM 1911 CA ILE A 140 9.695 -3.834 9.650 1.00 0.00 C ATOM 1912 C ILE A 140 11.074 -3.476 10.209 1.00 0.00 C ATOM 1913 O ILE A 140 12.084 -3.694 9.546 1.00 0.00 O ATOM 1914 CB ILE A 140 9.060 -2.599 8.960 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.782 -1.482 9.972 1.00 0.00 C ATOM 1916 CG2 ILE A 140 7.780 -3.008 8.246 1.00 0.00 C ATOM 1917 CD1 ILE A 140 8.231 -0.212 9.353 1.00 0.00 C ATOM 0 H ILE A 140 7.969 -3.889 10.848 1.00 0.00 H new ATOM 0 HA ILE A 140 9.829 -4.609 8.895 1.00 0.00 H new ATOM 0 HB ILE A 140 9.767 -2.211 8.227 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.075 -1.848 10.716 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.706 -1.246 10.500 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.338 -2.136 7.763 1.00 0.00 H new ATOM 0 HG22 ILE A 140 8.008 -3.763 7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.075 -3.418 8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 140 8.061 0.529 10.134 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.946 0.180 8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.289 -0.431 8.850 1.00 0.00 H new ATOM 1929 N SER A 141 11.117 -2.965 11.436 1.00 0.00 N ATOM 1930 CA SER A 141 12.379 -2.579 12.052 1.00 0.00 C ATOM 1931 C SER A 141 13.277 -3.805 12.264 1.00 0.00 C ATOM 1932 O SER A 141 14.467 -3.784 11.941 1.00 0.00 O ATOM 1933 CB SER A 141 12.127 -1.861 13.386 1.00 0.00 C ATOM 1934 OG SER A 141 13.324 -1.304 13.909 1.00 0.00 O ATOM 0 H SER A 141 10.295 -2.810 12.020 1.00 0.00 H new ATOM 0 HA SER A 141 12.892 -1.892 11.379 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.389 -1.072 13.242 1.00 0.00 H new ATOM 0 HB3 SER A 141 11.706 -2.564 14.105 1.00 0.00 H new ATOM 0 HG SER A 141 13.131 -0.853 14.757 1.00 0.00 H new ATOM 1940 N SER A 142 12.690 -4.877 12.776 1.00 0.00 N ATOM 1941 CA SER A 142 13.428 -6.105 13.056 1.00 0.00 C ATOM 1942 C SER A 142 13.700 -6.892 11.769 1.00 0.00 C ATOM 1943 O SER A 142 14.599 -7.734 11.711 1.00 0.00 O ATOM 1944 CB SER A 142 12.628 -6.966 14.033 1.00 0.00 C ATOM 1945 OG SER A 142 12.208 -6.202 15.156 1.00 0.00 O ATOM 0 H SER A 142 11.698 -4.923 13.008 1.00 0.00 H new ATOM 0 HA SER A 142 14.388 -5.839 13.498 1.00 0.00 H new ATOM 0 HB2 SER A 142 11.758 -7.385 13.527 1.00 0.00 H new ATOM 0 HB3 SER A 142 13.237 -7.806 14.367 1.00 0.00 H new ATOM 0 HG SER A 142 11.328 -5.811 14.975 1.00 0.00 H new ATOM 1951 N SER A 143 12.919 -6.616 10.751 1.00 0.00 N ATOM 1952 CA SER A 143 13.033 -7.305 9.487 1.00 0.00 C ATOM 1953 C SER A 143 14.069 -6.650 8.576 1.00 0.00 C ATOM 1954 O SER A 143 15.070 -7.271 8.219 1.00 0.00 O ATOM 1955 CB SER A 143 11.668 -7.336 8.798 1.00 0.00 C ATOM 1956 OG SER A 143 11.734 -7.961 7.539 1.00 0.00 O ATOM 0 H SER A 143 12.186 -5.907 10.776 1.00 0.00 H new ATOM 0 HA SER A 143 13.370 -8.323 9.684 1.00 0.00 H new ATOM 0 HB2 SER A 143 10.954 -7.864 9.429 1.00 0.00 H new ATOM 0 HB3 SER A 143 11.297 -6.318 8.680 1.00 0.00 H new ATOM 0 HG SER A 143 11.165 -8.759 7.540 1.00 0.00 H new ATOM 1962 N SER A 144 13.841 -5.385 8.247 1.00 0.00 N ATOM 1963 CA SER A 144 14.669 -4.655 7.293 1.00 0.00 C ATOM 1964 C SER A 144 16.139 -4.616 7.713 1.00 0.00 C ATOM 1965 O SER A 144 17.022 -4.593 6.867 1.00 0.00 O ATOM 1966 CB SER A 144 14.123 -3.232 7.113 1.00 0.00 C ATOM 1967 OG SER A 144 14.707 -2.587 5.992 1.00 0.00 O ATOM 0 H SER A 144 13.075 -4.834 8.635 1.00 0.00 H new ATOM 0 HA SER A 144 14.625 -5.185 6.342 1.00 0.00 H new ATOM 0 HB2 SER A 144 13.041 -3.270 6.989 1.00 0.00 H new ATOM 0 HB3 SER A 144 14.321 -2.649 8.013 1.00 0.00 H new ATOM 0 HG SER A 144 14.337 -1.684 5.905 1.00 0.00 H new