USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=35 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 23 ASN : amide:sc= -1.03 X(o=1.6,f=1.6) USER MOD Set 1.2: A 91 SER OG : rot -100:sc= 0.418 USER MOD Set 1.3: A 92 SER OG : rot 108:sc= 2.23 USER MOD Set 2.1: A 41 GLN : amide:sc= 0.113 K(o=0.24,f=-0.71) USER MOD Set 2.2: A 49 GLN : amide:sc= 0.122 X(o=0.24,f=-0.12) USER MOD Set 3.1: A 29 SER OG : rot 136:sc= 0.156 USER MOD Set 3.2: A 143 SER OG : rot 82:sc= 1.1 USER MOD Set 4.1: A 14 SER OG : rot -71:sc= 1.2 USER MOD Set 4.2: A 104 ASN : amide:sc= 0.867 K(o=2.1,f=0.53) USER MOD Single : A 19 SER OG : rot 180:sc=-0.000949 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.153 F(o=-1.3,f=-0.15) USER MOD Single : A 28 THR OG1 : rot -39:sc= -0.22 USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.41 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 55:sc= 0.672 USER MOD Single : A 40 SER OG : rot -85:sc= 0.21 USER MOD Single : A 42 GLN : amide:sc= -0.0378 K(o=-0.038,f=-0.66) USER MOD Single : A 45 SER OG : rot -14:sc= 1.21 USER MOD Single : A 46 SER OG : rot 121:sc= 0.408 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.461 F(o=-3.8!,f=-0.46) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 1.22 K(o=1.2,f=-0.011) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.576 F(o=-1.9!,f=-0.58) USER MOD Single : A 72 GLN : amide:sc= -0.823 X(o=-0.82,f=-0.58) USER MOD Single : A 75 SER OG : rot 180:sc=-0.000178 USER MOD Single : A 86 TYR OH : rot 70:sc= -1.64! USER MOD Single : A 88 GLN : amide:sc= -0.67 K(o=-0.67,f=-1.8!) USER MOD Single : A 96 ASN : amide:sc= -0.461 K(o=-0.46,f=-5.5!) USER MOD Single : A 101 ASN : amide:sc= -0.441 K(o=-0.44,f=-4.9!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 83:sc= 1.32 USER MOD Single : A 110 SER OG : rot -160:sc= 0.761 USER MOD Single : A 114 SER OG : rot -53:sc= 1.29 USER MOD Single : A 118 ASN :FLIP amide:sc= -0.411 F(o=-1.1,f=-0.41) USER MOD Single : A 121 SER OG : rot 62:sc= 1.3 USER MOD Single : A 122 SER OG : rot 76:sc= 0.0411 USER MOD Single : A 125 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.5!) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 133 SER OG : rot 120:sc= -0.699 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 GLN :FLIP amide:sc= -0.736 F(o=-2.1!,f=-0.74) USER MOD Single : A 138 SER OG : rot 132:sc= 1.24 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot -99:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.564 -5.492 -13.070 1.00 0.00 N ATOM 124 CA GLY A 12 -2.457 -6.756 -13.785 1.00 0.00 C ATOM 125 C GLY A 12 -1.039 -7.048 -14.253 1.00 0.00 C ATOM 126 O GLY A 12 -0.444 -8.047 -13.860 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.795 -7.565 -13.137 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.123 -6.738 -14.647 1.00 0.00 H new ATOM 130 N ALA A 13 -0.500 -6.173 -15.093 1.00 0.00 N ATOM 131 CA ALA A 13 0.868 -6.327 -15.603 1.00 0.00 C ATOM 132 C ALA A 13 1.878 -6.161 -14.485 1.00 0.00 C ATOM 133 O ALA A 13 2.938 -6.792 -14.482 1.00 0.00 O ATOM 134 CB ALA A 13 1.140 -5.311 -16.709 1.00 0.00 C ATOM 0 H ALA A 13 -0.986 -5.346 -15.439 1.00 0.00 H new ATOM 0 HA ALA A 13 0.968 -7.332 -16.014 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.158 -5.438 -17.077 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.437 -5.466 -17.527 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.020 -4.302 -16.314 1.00 0.00 H new ATOM 140 N SER A 14 1.541 -5.312 -13.536 1.00 0.00 N ATOM 141 CA SER A 14 2.382 -5.047 -12.404 1.00 0.00 C ATOM 142 C SER A 14 2.577 -6.310 -11.563 1.00 0.00 C ATOM 143 O SER A 14 3.601 -6.467 -10.916 1.00 0.00 O ATOM 144 CB SER A 14 1.755 -3.944 -11.560 1.00 0.00 C ATOM 145 OG SER A 14 1.222 -2.920 -12.390 1.00 0.00 O ATOM 0 H SER A 14 0.667 -4.786 -13.536 1.00 0.00 H new ATOM 0 HA SER A 14 3.361 -4.725 -12.758 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.965 -4.361 -10.935 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.503 -3.523 -10.889 1.00 0.00 H new ATOM 0 HG SER A 14 1.956 -2.422 -12.807 1.00 0.00 H new ATOM 151 N ALA A 15 1.599 -7.226 -11.619 1.00 0.00 N ATOM 152 CA ALA A 15 1.620 -8.468 -10.830 1.00 0.00 C ATOM 153 C ALA A 15 2.893 -9.291 -11.047 1.00 0.00 C ATOM 154 O ALA A 15 3.217 -10.162 -10.243 1.00 0.00 O ATOM 155 CB ALA A 15 0.390 -9.312 -11.128 1.00 0.00 C ATOM 0 H ALA A 15 0.774 -7.128 -12.210 1.00 0.00 H new ATOM 0 HA ALA A 15 1.610 -8.170 -9.782 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.424 -10.226 -10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.508 -8.748 -10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.372 -9.567 -12.188 1.00 0.00 H new ATOM 161 N GLY A 16 3.599 -9.022 -12.125 1.00 0.00 N ATOM 162 CA GLY A 16 4.826 -9.732 -12.383 1.00 0.00 C ATOM 163 C GLY A 16 6.032 -9.067 -11.727 1.00 0.00 C ATOM 164 O GLY A 16 6.858 -9.734 -11.107 1.00 0.00 O ATOM 0 H GLY A 16 3.346 -8.326 -12.826 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.735 -10.755 -12.017 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.988 -9.792 -13.459 1.00 0.00 H new ATOM 168 N LEU A 17 6.124 -7.754 -11.872 1.00 0.00 N ATOM 169 CA LEU A 17 7.258 -6.977 -11.354 1.00 0.00 C ATOM 170 C LEU A 17 7.097 -6.530 -9.881 1.00 0.00 C ATOM 171 O LEU A 17 8.086 -6.234 -9.217 1.00 0.00 O ATOM 172 CB LEU A 17 7.537 -5.771 -12.276 1.00 0.00 C ATOM 173 CG LEU A 17 6.311 -4.940 -12.727 1.00 0.00 C ATOM 174 CD1 LEU A 17 5.747 -4.094 -11.591 1.00 0.00 C ATOM 175 CD2 LEU A 17 6.667 -4.060 -13.914 1.00 0.00 C ATOM 0 H LEU A 17 5.420 -7.191 -12.350 1.00 0.00 H new ATOM 0 HA LEU A 17 8.118 -7.647 -11.356 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.230 -5.104 -11.763 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.047 -6.136 -13.168 1.00 0.00 H new ATOM 0 HG LEU A 17 5.536 -5.645 -13.029 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.888 -3.527 -11.951 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.436 -4.744 -10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.513 -3.405 -11.235 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.792 -3.484 -14.216 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.471 -3.379 -13.634 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.994 -4.685 -14.745 1.00 0.00 H new ATOM 187 N ILE A 18 5.853 -6.485 -9.402 1.00 0.00 N ATOM 188 CA ILE A 18 5.498 -5.957 -8.057 1.00 0.00 C ATOM 189 C ILE A 18 6.519 -6.229 -6.937 1.00 0.00 C ATOM 190 O ILE A 18 7.028 -5.291 -6.323 1.00 0.00 O ATOM 191 CB ILE A 18 4.112 -6.446 -7.589 1.00 0.00 C ATOM 192 CG1 ILE A 18 3.893 -7.920 -7.960 1.00 0.00 C ATOM 193 CG2 ILE A 18 3.011 -5.562 -8.146 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.599 -8.498 -7.432 1.00 0.00 C ATOM 0 H ILE A 18 5.046 -6.814 -9.932 1.00 0.00 H new ATOM 0 HA ILE A 18 5.494 -4.879 -8.218 1.00 0.00 H new ATOM 0 HB ILE A 18 4.076 -6.374 -6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.907 -8.017 -9.046 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.726 -8.509 -7.576 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.043 -5.926 -7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.157 -4.538 -7.801 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.042 -5.585 -9.235 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.516 -9.542 -7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.589 -8.434 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.758 -7.935 -7.836 1.00 0.00 H new ATOM 206 N SER A 19 6.812 -7.475 -6.674 1.00 0.00 N ATOM 207 CA SER A 19 7.674 -7.827 -5.563 1.00 0.00 C ATOM 208 C SER A 19 9.155 -7.629 -5.899 1.00 0.00 C ATOM 209 O SER A 19 9.983 -7.505 -5.003 1.00 0.00 O ATOM 210 CB SER A 19 7.408 -9.277 -5.126 1.00 0.00 C ATOM 211 OG SER A 19 8.080 -9.591 -3.912 1.00 0.00 O ATOM 0 H SER A 19 6.468 -8.270 -7.213 1.00 0.00 H new ATOM 0 HA SER A 19 7.439 -7.155 -4.737 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.336 -9.428 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.735 -9.960 -5.910 1.00 0.00 H new ATOM 0 HG SER A 19 7.888 -10.519 -3.662 1.00 0.00 H new ATOM 217 N ARG A 20 9.472 -7.588 -7.182 1.00 0.00 N ATOM 218 CA ARG A 20 10.851 -7.518 -7.636 1.00 0.00 C ATOM 219 C ARG A 20 11.390 -6.095 -7.718 1.00 0.00 C ATOM 220 O ARG A 20 12.564 -5.873 -7.487 1.00 0.00 O ATOM 221 CB ARG A 20 10.976 -8.193 -8.995 1.00 0.00 C ATOM 222 CG ARG A 20 10.583 -9.650 -8.970 1.00 0.00 C ATOM 223 CD ARG A 20 10.635 -10.268 -10.345 1.00 0.00 C ATOM 224 NE ARG A 20 10.274 -11.679 -10.298 1.00 0.00 N ATOM 225 CZ ARG A 20 10.131 -12.462 -11.366 1.00 0.00 C ATOM 226 NH1 ARG A 20 10.351 -11.985 -12.584 1.00 0.00 N ATOM 227 NH2 ARG A 20 9.782 -13.728 -11.206 1.00 0.00 N ATOM 0 H ARG A 20 8.785 -7.602 -7.935 1.00 0.00 H new ATOM 0 HA ARG A 20 11.454 -8.038 -6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.350 -7.666 -9.715 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.005 -8.106 -9.344 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.249 -10.195 -8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.576 -9.748 -8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.956 -9.737 -11.012 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.638 -10.159 -10.759 1.00 0.00 H new ATOM 0 HE ARG A 20 10.120 -12.097 -9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.632 -11.012 -12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.239 -12.591 -13.397 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.624 -14.099 -10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.671 -14.333 -12.020 1.00 0.00 H new ATOM 241 N VAL A 21 10.531 -5.141 -8.044 1.00 0.00 N ATOM 242 CA VAL A 21 10.971 -3.759 -8.280 1.00 0.00 C ATOM 243 C VAL A 21 11.618 -3.079 -7.048 1.00 0.00 C ATOM 244 O VAL A 21 12.814 -3.197 -6.821 1.00 0.00 O ATOM 245 CB VAL A 21 9.826 -2.867 -8.830 1.00 0.00 C ATOM 246 CG1 VAL A 21 10.334 -1.473 -9.145 1.00 0.00 C ATOM 247 CG2 VAL A 21 9.211 -3.484 -10.068 1.00 0.00 C ATOM 0 H VAL A 21 9.528 -5.289 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 21 11.750 -3.851 -9.037 1.00 0.00 H new ATOM 0 HB VAL A 21 9.060 -2.794 -8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.515 -0.865 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.730 -1.017 -8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.123 -1.534 -9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.411 -2.841 -10.436 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.974 -3.591 -10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.804 -4.465 -9.822 1.00 0.00 H new ATOM 257 N ALA A 22 10.821 -2.352 -6.282 1.00 0.00 N ATOM 258 CA ALA A 22 11.339 -1.573 -5.166 1.00 0.00 C ATOM 259 C ALA A 22 11.570 -2.404 -3.916 1.00 0.00 C ATOM 260 O ALA A 22 12.662 -2.407 -3.348 1.00 0.00 O ATOM 261 CB ALA A 22 10.408 -0.406 -4.865 1.00 0.00 C ATOM 0 H ALA A 22 9.812 -2.284 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 22 12.315 -1.195 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.805 0.170 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.332 0.235 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.420 -0.786 -4.607 1.00 0.00 H new ATOM 267 N ASN A 23 10.542 -3.112 -3.498 1.00 0.00 N ATOM 268 CA ASN A 23 10.572 -3.843 -2.238 1.00 0.00 C ATOM 269 C ASN A 23 11.571 -4.987 -2.207 1.00 0.00 C ATOM 270 O ASN A 23 12.021 -5.369 -1.136 1.00 0.00 O ATOM 271 CB ASN A 23 9.176 -4.306 -1.831 1.00 0.00 C ATOM 272 CG ASN A 23 8.370 -3.177 -1.215 1.00 0.00 C ATOM 273 OD1 ASN A 23 8.392 -2.971 -0.004 1.00 0.00 O ATOM 274 ND2 ASN A 23 7.663 -2.430 -2.043 1.00 0.00 N ATOM 0 H ASN A 23 9.666 -3.200 -4.013 1.00 0.00 H new ATOM 0 HA ASN A 23 10.929 -3.130 -1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.652 -4.694 -2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.258 -5.127 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.111 -1.652 -1.683 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.669 -2.631 -3.043 1.00 0.00 H new ATOM 281 N ALA A 24 11.931 -5.531 -3.360 1.00 0.00 N ATOM 282 CA ALA A 24 12.910 -6.620 -3.395 1.00 0.00 C ATOM 283 C ALA A 24 14.256 -6.149 -2.876 1.00 0.00 C ATOM 284 O ALA A 24 14.968 -6.895 -2.207 1.00 0.00 O ATOM 285 CB ALA A 24 13.058 -7.177 -4.788 1.00 0.00 C ATOM 0 H ALA A 24 11.571 -5.247 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 24 12.542 -7.415 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.791 -7.983 -4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.097 -7.563 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.392 -6.388 -5.462 1.00 0.00 H new ATOM 291 N LEU A 25 14.592 -4.900 -3.175 1.00 0.00 N ATOM 292 CA LEU A 25 15.843 -4.318 -2.708 1.00 0.00 C ATOM 293 C LEU A 25 15.755 -3.986 -1.231 1.00 0.00 C ATOM 294 O LEU A 25 16.769 -3.854 -0.548 1.00 0.00 O ATOM 295 CB LEU A 25 16.219 -3.072 -3.522 1.00 0.00 C ATOM 296 CG LEU A 25 16.865 -3.330 -4.895 1.00 0.00 C ATOM 297 CD1 LEU A 25 18.077 -4.234 -4.749 1.00 0.00 C ATOM 298 CD2 LEU A 25 15.863 -3.932 -5.871 1.00 0.00 C ATOM 0 H LEU A 25 14.017 -4.273 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 25 16.631 -5.058 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.319 -2.476 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.905 -2.468 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 25 17.191 -2.372 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.522 -4.407 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.809 -3.758 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.770 -5.187 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.349 -4.103 -6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.495 -4.879 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.027 -3.245 -6.004 1.00 0.00 H new ATOM 310 N ALA A 26 14.534 -3.841 -0.743 1.00 0.00 N ATOM 311 CA ALA A 26 14.303 -3.608 0.665 1.00 0.00 C ATOM 312 C ALA A 26 14.361 -4.937 1.404 1.00 0.00 C ATOM 313 O ALA A 26 14.751 -4.998 2.573 1.00 0.00 O ATOM 314 CB ALA A 26 12.956 -2.923 0.881 1.00 0.00 C ATOM 0 H ALA A 26 13.686 -3.882 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 26 15.076 -2.947 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.800 -2.756 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 26 12.946 -1.967 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.159 -3.557 0.492 1.00 0.00 H new ATOM 320 N ASN A 27 13.941 -6.002 0.691 1.00 0.00 N ATOM 321 CA ASN A 27 13.974 -7.392 1.181 1.00 0.00 C ATOM 322 C ASN A 27 13.211 -7.546 2.507 1.00 0.00 C ATOM 323 O ASN A 27 13.362 -8.534 3.222 1.00 0.00 O ATOM 324 CB ASN A 27 15.430 -7.853 1.320 1.00 0.00 C ATOM 325 CG ASN A 27 15.589 -9.367 1.433 1.00 0.00 C ATOM 326 OD1 ASN A 27 14.767 -10.111 0.713 1.00 0.00 O flip ATOM 327 ND2 ASN A 27 16.473 -9.863 2.133 1.00 0.00 N flip ATOM 0 H ASN A 27 13.565 -5.918 -0.253 1.00 0.00 H new ATOM 0 HA ASN A 27 13.469 -8.027 0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.997 -7.501 0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.867 -7.384 2.202 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.091 -9.261 2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.587 -10.876 2.169 1.00 0.00 H new ATOM 334 N THR A 28 12.368 -6.578 2.799 1.00 0.00 N ATOM 335 CA THR A 28 11.636 -6.552 4.039 1.00 0.00 C ATOM 336 C THR A 28 10.394 -7.456 3.986 1.00 0.00 C ATOM 337 O THR A 28 9.770 -7.624 2.935 1.00 0.00 O ATOM 338 CB THR A 28 11.237 -5.110 4.386 1.00 0.00 C ATOM 339 OG1 THR A 28 12.394 -4.268 4.259 1.00 0.00 O ATOM 340 CG2 THR A 28 10.701 -5.012 5.811 1.00 0.00 C ATOM 0 H THR A 28 12.174 -5.790 2.181 1.00 0.00 H new ATOM 0 HA THR A 28 12.289 -6.940 4.821 1.00 0.00 H new ATOM 0 HB THR A 28 10.450 -4.792 3.703 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.182 -4.742 4.597 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.427 -3.979 6.027 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.823 -5.649 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.470 -5.337 6.512 1.00 0.00 H new ATOM 348 N SER A 29 10.051 -8.012 5.143 1.00 0.00 N ATOM 349 CA SER A 29 8.941 -8.951 5.325 1.00 0.00 C ATOM 350 C SER A 29 7.594 -8.449 4.768 1.00 0.00 C ATOM 351 O SER A 29 6.671 -9.242 4.575 1.00 0.00 O ATOM 352 CB SER A 29 8.803 -9.229 6.802 1.00 0.00 C ATOM 353 OG SER A 29 10.055 -9.604 7.352 1.00 0.00 O ATOM 0 H SER A 29 10.552 -7.818 6.010 1.00 0.00 H new ATOM 0 HA SER A 29 9.180 -9.851 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.425 -8.343 7.312 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.075 -10.024 6.963 1.00 0.00 H new ATOM 0 HG SER A 29 10.192 -9.136 8.202 1.00 0.00 H new ATOM 359 N THR A 30 7.487 -7.153 4.522 1.00 0.00 N ATOM 360 CA THR A 30 6.255 -6.555 3.996 1.00 0.00 C ATOM 361 C THR A 30 5.872 -7.117 2.625 1.00 0.00 C ATOM 362 O THR A 30 4.722 -7.028 2.211 1.00 0.00 O ATOM 363 CB THR A 30 6.362 -5.020 3.921 1.00 0.00 C ATOM 364 OG1 THR A 30 5.319 -4.480 3.108 1.00 0.00 O ATOM 365 CG2 THR A 30 7.709 -4.590 3.385 1.00 0.00 C ATOM 0 H THR A 30 8.241 -6.484 4.677 1.00 0.00 H new ATOM 0 HA THR A 30 5.465 -6.821 4.698 1.00 0.00 H new ATOM 0 HB THR A 30 6.256 -4.633 4.935 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.569 -3.580 2.810 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.754 -3.502 3.344 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.497 -4.961 4.041 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.849 -4.997 2.383 1.00 0.00 H new ATOM 373 N LEU A 31 6.828 -7.661 1.922 1.00 0.00 N ATOM 374 CA LEU A 31 6.541 -8.273 0.633 1.00 0.00 C ATOM 375 C LEU A 31 6.292 -9.771 0.799 1.00 0.00 C ATOM 376 O LEU A 31 5.595 -10.396 -0.004 1.00 0.00 O ATOM 377 CB LEU A 31 7.693 -8.015 -0.366 1.00 0.00 C ATOM 378 CG LEU A 31 9.065 -8.631 -0.025 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.169 -10.072 -0.511 1.00 0.00 C ATOM 380 CD2 LEU A 31 10.179 -7.798 -0.615 1.00 0.00 C ATOM 0 H LEU A 31 7.806 -7.698 2.208 1.00 0.00 H new ATOM 0 HA LEU A 31 5.637 -7.817 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.386 -8.391 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.821 -6.937 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 31 9.163 -8.637 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.149 -10.473 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.394 -10.673 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.038 -10.102 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.140 -8.247 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.068 -7.757 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.133 -6.788 -0.208 1.00 0.00 H new ATOM 392 N ARG A 32 6.888 -10.335 1.838 1.00 0.00 N ATOM 393 CA ARG A 32 6.815 -11.762 2.096 1.00 0.00 C ATOM 394 C ARG A 32 5.525 -12.181 2.821 1.00 0.00 C ATOM 395 O ARG A 32 4.887 -13.158 2.434 1.00 0.00 O ATOM 396 CB ARG A 32 8.058 -12.216 2.864 1.00 0.00 C ATOM 397 CG ARG A 32 8.158 -13.719 3.057 1.00 0.00 C ATOM 398 CD ARG A 32 9.579 -14.131 3.404 1.00 0.00 C ATOM 399 NE ARG A 32 10.510 -13.874 2.296 1.00 0.00 N ATOM 400 CZ ARG A 32 11.822 -13.662 2.438 1.00 0.00 C ATOM 401 NH1 ARG A 32 12.377 -13.649 3.645 1.00 0.00 N ATOM 402 NH2 ARG A 32 12.578 -13.462 1.368 1.00 0.00 N ATOM 0 H ARG A 32 7.435 -9.816 2.525 1.00 0.00 H new ATOM 0 HA ARG A 32 6.786 -12.265 1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.945 -11.870 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.063 -11.735 3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.481 -14.033 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.840 -14.228 2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.909 -13.587 4.289 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.598 -15.191 3.656 1.00 0.00 H new ATOM 0 HE ARG A 32 10.127 -13.856 1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.801 -13.802 4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.379 -13.486 3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.158 -13.470 0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.579 -13.300 1.474 1.00 0.00 H new ATOM 416 N THR A 33 5.141 -11.449 3.867 1.00 0.00 N ATOM 417 CA THR A 33 3.963 -11.839 4.654 1.00 0.00 C ATOM 418 C THR A 33 3.362 -10.669 5.461 1.00 0.00 C ATOM 419 O THR A 33 2.169 -10.667 5.774 1.00 0.00 O ATOM 420 CB THR A 33 4.309 -13.011 5.616 1.00 0.00 C ATOM 421 OG1 THR A 33 3.115 -13.556 6.201 1.00 0.00 O ATOM 422 CG2 THR A 33 5.254 -12.555 6.725 1.00 0.00 C ATOM 0 H THR A 33 5.612 -10.603 4.186 1.00 0.00 H new ATOM 0 HA THR A 33 3.209 -12.160 3.935 1.00 0.00 H new ATOM 0 HB THR A 33 4.806 -13.781 5.027 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.352 -14.293 6.802 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.477 -13.396 7.381 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.179 -12.183 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.781 -11.760 7.302 1.00 0.00 H new ATOM 430 N VAL A 34 4.180 -9.697 5.801 1.00 0.00 N ATOM 431 CA VAL A 34 3.721 -8.551 6.577 1.00 0.00 C ATOM 432 C VAL A 34 3.106 -7.501 5.648 1.00 0.00 C ATOM 433 O VAL A 34 3.331 -7.531 4.453 1.00 0.00 O ATOM 434 CB VAL A 34 4.895 -7.937 7.393 1.00 0.00 C ATOM 435 CG1 VAL A 34 4.415 -6.840 8.338 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.608 -9.026 8.170 1.00 0.00 C ATOM 0 H VAL A 34 5.170 -9.672 5.555 1.00 0.00 H new ATOM 0 HA VAL A 34 2.958 -8.888 7.279 1.00 0.00 H new ATOM 0 HB VAL A 34 5.590 -7.480 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.265 -6.437 8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.946 -6.043 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.691 -7.255 9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.429 -8.589 8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.906 -9.504 8.854 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.002 -9.769 7.477 1.00 0.00 H new ATOM 446 N LEU A 35 2.320 -6.596 6.199 1.00 0.00 N ATOM 447 CA LEU A 35 1.685 -5.561 5.404 1.00 0.00 C ATOM 448 C LEU A 35 2.625 -4.378 5.219 1.00 0.00 C ATOM 449 O LEU A 35 3.568 -4.196 5.993 1.00 0.00 O ATOM 450 CB LEU A 35 0.346 -5.097 6.024 1.00 0.00 C ATOM 451 CG LEU A 35 0.415 -4.264 7.323 1.00 0.00 C ATOM 452 CD1 LEU A 35 -0.927 -3.603 7.592 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.818 -5.124 8.517 1.00 0.00 C ATOM 0 H LEU A 35 2.105 -6.556 7.195 1.00 0.00 H new ATOM 0 HA LEU A 35 1.461 -5.991 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.186 -4.510 5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.258 -5.982 6.223 1.00 0.00 H new ATOM 0 HG LEU A 35 1.177 -3.497 7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.867 -3.018 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.183 -2.947 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.695 -4.369 7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.857 -4.506 9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.086 -5.920 8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.800 -5.562 8.335 1.00 0.00 H new ATOM 465 N ARG A 36 2.362 -3.580 4.201 1.00 0.00 N ATOM 466 CA ARG A 36 3.210 -2.444 3.886 1.00 0.00 C ATOM 467 C ARG A 36 2.761 -1.193 4.621 1.00 0.00 C ATOM 468 O ARG A 36 1.649 -1.130 5.165 1.00 0.00 O ATOM 469 CB ARG A 36 3.210 -2.168 2.380 1.00 0.00 C ATOM 470 CG ARG A 36 1.886 -1.641 1.854 1.00 0.00 C ATOM 471 CD ARG A 36 2.006 -1.181 0.418 1.00 0.00 C ATOM 472 NE ARG A 36 0.784 -0.522 -0.052 1.00 0.00 N ATOM 473 CZ ARG A 36 0.585 0.803 -0.025 1.00 0.00 C ATOM 474 NH1 ARG A 36 1.494 1.607 0.513 1.00 0.00 N ATOM 475 NH2 ARG A 36 -0.531 1.317 -0.521 1.00 0.00 N ATOM 0 H ARG A 36 1.565 -3.698 3.576 1.00 0.00 H new ATOM 0 HA ARG A 36 4.219 -2.698 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.994 -1.446 2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.460 -3.088 1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.128 -2.421 1.926 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.550 -0.812 2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.847 -0.493 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.224 -2.037 -0.220 1.00 0.00 H new ATOM 0 HE ARG A 36 0.037 -1.109 -0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.349 1.217 0.909 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.337 2.615 0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.240 0.704 -0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.681 2.326 -0.500 1.00 0.00 H new ATOM 489 N THR A 37 3.619 -0.199 4.617 1.00 0.00 N ATOM 490 CA THR A 37 3.336 1.067 5.221 1.00 0.00 C ATOM 491 C THR A 37 2.369 1.866 4.361 1.00 0.00 C ATOM 492 O THR A 37 2.608 2.081 3.168 1.00 0.00 O ATOM 493 CB THR A 37 4.630 1.856 5.420 1.00 0.00 C ATOM 494 OG1 THR A 37 5.614 1.397 4.482 1.00 0.00 O ATOM 495 CG2 THR A 37 5.152 1.677 6.828 1.00 0.00 C ATOM 0 H THR A 37 4.542 -0.255 4.187 1.00 0.00 H new ATOM 0 HA THR A 37 2.873 0.889 6.192 1.00 0.00 H new ATOM 0 HB THR A 37 4.426 2.914 5.257 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.250 1.451 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.073 2.246 6.950 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.408 2.034 7.540 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.351 0.621 7.011 1.00 0.00 H new ATOM 503 N GLY A 38 1.269 2.282 4.960 1.00 0.00 N ATOM 504 CA GLY A 38 0.278 3.028 4.235 1.00 0.00 C ATOM 505 C GLY A 38 -0.491 2.147 3.290 1.00 0.00 C ATOM 506 O GLY A 38 -0.813 2.559 2.172 1.00 0.00 O ATOM 0 H GLY A 38 1.047 2.114 5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.410 3.499 4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.761 3.829 3.676 1.00 0.00 H new ATOM 510 N VAL A 39 -0.769 0.925 3.752 1.00 0.00 N ATOM 511 CA VAL A 39 -1.479 -0.101 2.983 1.00 0.00 C ATOM 512 C VAL A 39 -2.708 0.461 2.233 1.00 0.00 C ATOM 513 O VAL A 39 -3.334 1.433 2.663 1.00 0.00 O ATOM 514 CB VAL A 39 -1.903 -1.282 3.905 1.00 0.00 C ATOM 515 CG1 VAL A 39 -3.003 -0.869 4.869 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.317 -2.496 3.091 1.00 0.00 C ATOM 0 H VAL A 39 -0.503 0.615 4.687 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.782 -0.466 2.228 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.032 -1.560 4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.274 -1.718 5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.649 -0.052 5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.876 -0.541 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.607 -3.303 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.161 -2.235 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.481 -2.822 2.473 1.00 0.00 H new ATOM 526 N SER A 40 -3.018 -0.155 1.103 1.00 0.00 N ATOM 527 CA SER A 40 -4.119 0.268 0.266 1.00 0.00 C ATOM 528 C SER A 40 -5.453 -0.199 0.840 1.00 0.00 C ATOM 529 O SER A 40 -5.560 -1.309 1.360 1.00 0.00 O ATOM 530 CB SER A 40 -3.929 -0.305 -1.134 1.00 0.00 C ATOM 531 OG SER A 40 -2.635 0.006 -1.635 1.00 0.00 O ATOM 0 H SER A 40 -2.510 -0.963 0.744 1.00 0.00 H new ATOM 0 HA SER A 40 -4.132 1.357 0.225 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.065 -1.386 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.690 0.098 -1.803 1.00 0.00 H new ATOM 0 HG SER A 40 -2.649 0.895 -2.047 1.00 0.00 H new ATOM 537 N GLN A 41 -6.473 0.642 0.716 1.00 0.00 N ATOM 538 CA GLN A 41 -7.804 0.315 1.217 1.00 0.00 C ATOM 539 C GLN A 41 -8.437 -0.804 0.402 1.00 0.00 C ATOM 540 O GLN A 41 -9.443 -1.370 0.793 1.00 0.00 O ATOM 541 CB GLN A 41 -8.715 1.543 1.209 1.00 0.00 C ATOM 542 CG GLN A 41 -9.095 2.036 -0.180 1.00 0.00 C ATOM 543 CD GLN A 41 -10.034 3.228 -0.138 1.00 0.00 C ATOM 544 OE1 GLN A 41 -9.994 4.035 0.791 1.00 0.00 O ATOM 545 NE2 GLN A 41 -10.884 3.345 -1.139 1.00 0.00 N ATOM 0 H GLN A 41 -6.404 1.558 0.272 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.688 -0.025 2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.626 1.308 1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.219 2.352 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.191 2.309 -0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.568 1.225 -0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.886 2.655 -1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.540 4.126 -1.162 1.00 0.00 H new ATOM 554 N GLN A 42 -7.842 -1.102 -0.742 1.00 0.00 N ATOM 555 CA GLN A 42 -8.329 -2.165 -1.607 1.00 0.00 C ATOM 556 C GLN A 42 -8.335 -3.502 -0.868 1.00 0.00 C ATOM 557 O GLN A 42 -9.224 -4.328 -1.068 1.00 0.00 O ATOM 558 CB GLN A 42 -7.465 -2.255 -2.870 1.00 0.00 C ATOM 559 CG GLN A 42 -7.487 -0.990 -3.710 1.00 0.00 C ATOM 560 CD GLN A 42 -8.866 -0.692 -4.286 1.00 0.00 C ATOM 561 OE1 GLN A 42 -9.651 -1.597 -4.550 1.00 0.00 O ATOM 562 NE2 GLN A 42 -9.166 0.577 -4.488 1.00 0.00 N ATOM 0 H GLN A 42 -7.016 -0.619 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.353 -1.933 -1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.436 -2.473 -2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.810 -3.091 -3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.163 -0.147 -3.099 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.770 -1.087 -4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.489 1.304 -4.257 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.075 0.831 -4.875 1.00 0.00 H new ATOM 571 N ILE A 43 -7.346 -3.701 -0.003 1.00 0.00 N ATOM 572 CA ILE A 43 -7.246 -4.939 0.756 1.00 0.00 C ATOM 573 C ILE A 43 -8.121 -4.906 2.020 1.00 0.00 C ATOM 574 O ILE A 43 -8.794 -5.880 2.336 1.00 0.00 O ATOM 575 CB ILE A 43 -5.761 -5.303 1.107 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.097 -4.252 2.005 1.00 0.00 C ATOM 577 CG2 ILE A 43 -4.947 -5.482 -0.165 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.221 -4.532 3.496 1.00 0.00 C ATOM 0 H ILE A 43 -6.607 -3.024 0.188 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.627 -5.729 0.109 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.786 -6.240 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.040 -4.186 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.539 -3.278 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.919 -5.734 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.378 -6.285 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.960 -4.555 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.724 -3.741 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.275 -4.567 3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.753 -5.489 3.727 1.00 0.00 H new ATOM 590 N ALA A 44 -8.113 -3.772 2.725 1.00 0.00 N ATOM 591 CA ALA A 44 -8.877 -3.627 3.963 1.00 0.00 C ATOM 592 C ALA A 44 -10.328 -3.259 3.686 1.00 0.00 C ATOM 593 O ALA A 44 -11.233 -4.040 3.953 1.00 0.00 O ATOM 594 CB ALA A 44 -8.220 -2.603 4.873 1.00 0.00 C ATOM 0 H ALA A 44 -7.585 -2.941 2.458 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.879 -4.592 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.800 -2.506 5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.208 -2.928 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.179 -1.639 4.366 1.00 0.00 H new ATOM 600 N SER A 45 -10.530 -2.032 3.198 1.00 0.00 N ATOM 601 CA SER A 45 -11.851 -1.515 2.785 1.00 0.00 C ATOM 602 C SER A 45 -12.739 -1.164 3.982 1.00 0.00 C ATOM 603 O SER A 45 -13.668 -0.367 3.865 1.00 0.00 O ATOM 604 CB SER A 45 -12.559 -2.513 1.861 1.00 0.00 C ATOM 605 OG SER A 45 -11.693 -2.942 0.812 1.00 0.00 O ATOM 0 H SER A 45 -9.776 -1.356 3.075 1.00 0.00 H new ATOM 0 HA SER A 45 -11.674 -0.590 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.892 -3.376 2.438 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.450 -2.051 1.436 1.00 0.00 H new ATOM 0 HG SER A 45 -10.912 -2.352 0.771 1.00 0.00 H new ATOM 611 N SER A 46 -12.435 -1.745 5.121 1.00 0.00 N ATOM 612 CA SER A 46 -13.197 -1.527 6.322 1.00 0.00 C ATOM 613 C SER A 46 -12.995 -0.107 6.868 1.00 0.00 C ATOM 614 O SER A 46 -13.805 0.791 6.622 1.00 0.00 O ATOM 615 CB SER A 46 -12.802 -2.578 7.355 1.00 0.00 C ATOM 616 OG SER A 46 -11.385 -2.626 7.519 1.00 0.00 O ATOM 0 H SER A 46 -11.648 -2.384 5.237 1.00 0.00 H new ATOM 0 HA SER A 46 -14.258 -1.625 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.275 -2.350 8.310 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.169 -3.556 7.043 1.00 0.00 H new ATOM 0 HG SER A 46 -11.157 -2.435 8.453 1.00 0.00 H new ATOM 622 N VAL A 47 -11.912 0.088 7.598 1.00 0.00 N ATOM 623 CA VAL A 47 -11.597 1.388 8.180 1.00 0.00 C ATOM 624 C VAL A 47 -10.163 1.803 7.857 1.00 0.00 C ATOM 625 O VAL A 47 -9.826 2.985 7.873 1.00 0.00 O ATOM 626 CB VAL A 47 -11.801 1.391 9.719 1.00 0.00 C ATOM 627 CG1 VAL A 47 -13.262 1.132 10.065 1.00 0.00 C ATOM 628 CG2 VAL A 47 -10.905 0.353 10.391 1.00 0.00 C ATOM 0 H VAL A 47 -11.229 -0.641 7.805 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.286 2.107 7.737 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.523 2.376 10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.386 1.138 11.148 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.884 1.911 9.624 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.563 0.161 9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.067 0.375 11.469 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.147 -0.639 10.008 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.861 0.580 10.176 1.00 0.00 H new ATOM 638 N VAL A 48 -9.327 0.824 7.562 1.00 0.00 N ATOM 639 CA VAL A 48 -7.934 1.075 7.252 1.00 0.00 C ATOM 640 C VAL A 48 -7.772 1.531 5.799 1.00 0.00 C ATOM 641 O VAL A 48 -7.558 0.721 4.899 1.00 0.00 O ATOM 642 CB VAL A 48 -7.071 -0.182 7.509 1.00 0.00 C ATOM 643 CG1 VAL A 48 -5.598 0.112 7.282 1.00 0.00 C ATOM 644 CG2 VAL A 48 -7.303 -0.698 8.920 1.00 0.00 C ATOM 0 H VAL A 48 -9.593 -0.160 7.531 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.589 1.872 7.911 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.371 -0.954 6.800 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.014 -0.789 7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.446 0.435 6.252 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.276 0.901 7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.690 -1.583 9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.031 0.075 9.639 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.355 -0.956 9.045 1.00 0.00 H new ATOM 654 N GLN A 49 -7.941 2.824 5.577 1.00 0.00 N ATOM 655 CA GLN A 49 -7.791 3.394 4.245 1.00 0.00 C ATOM 656 C GLN A 49 -6.325 3.678 3.930 1.00 0.00 C ATOM 657 O GLN A 49 -5.847 3.419 2.827 1.00 0.00 O ATOM 658 CB GLN A 49 -8.605 4.678 4.116 1.00 0.00 C ATOM 659 CG GLN A 49 -10.085 4.500 4.395 1.00 0.00 C ATOM 660 CD GLN A 49 -10.873 5.768 4.152 1.00 0.00 C ATOM 661 OE1 GLN A 49 -11.046 6.590 5.050 1.00 0.00 O ATOM 662 NE2 GLN A 49 -11.349 5.937 2.935 1.00 0.00 N ATOM 0 H GLN A 49 -8.182 3.500 6.301 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.164 2.662 3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.203 5.422 4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.481 5.075 3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.478 3.704 3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.222 4.183 5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.182 5.230 2.219 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.884 6.775 2.709 1.00 0.00 H new ATOM 671 N ARG A 50 -5.634 4.239 4.904 1.00 0.00 N ATOM 672 CA ARG A 50 -4.229 4.583 4.770 1.00 0.00 C ATOM 673 C ARG A 50 -3.424 3.973 5.902 1.00 0.00 C ATOM 674 O ARG A 50 -2.189 3.939 5.848 1.00 0.00 O ATOM 675 CB ARG A 50 -4.076 6.113 4.805 1.00 0.00 C ATOM 676 CG ARG A 50 -2.639 6.629 4.790 1.00 0.00 C ATOM 677 CD ARG A 50 -2.091 6.714 3.386 1.00 0.00 C ATOM 678 NE ARG A 50 -2.192 5.432 2.675 1.00 0.00 N ATOM 679 CZ ARG A 50 -2.838 5.252 1.511 1.00 0.00 C ATOM 680 NH1 ARG A 50 -3.370 6.290 0.865 1.00 0.00 N ATOM 681 NH2 ARG A 50 -2.938 4.033 0.995 1.00 0.00 N ATOM 0 H ARG A 50 -6.032 4.470 5.814 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.858 4.192 3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.604 6.533 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.570 6.490 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.601 7.614 5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.009 5.970 5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.634 7.480 2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.047 7.026 3.423 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.739 4.621 3.095 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.288 7.229 1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.859 6.145 -0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.525 3.238 1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.428 3.892 0.111 1.00 0.00 H new ATOM 695 N ALA A 51 -4.135 3.493 6.930 1.00 0.00 N ATOM 696 CA ALA A 51 -3.531 2.979 8.166 1.00 0.00 C ATOM 697 C ALA A 51 -2.945 4.131 8.989 1.00 0.00 C ATOM 698 O ALA A 51 -3.224 4.257 10.171 1.00 0.00 O ATOM 699 CB ALA A 51 -2.491 1.898 7.884 1.00 0.00 C ATOM 0 H ALA A 51 -5.154 3.450 6.927 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.316 2.505 8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.069 1.545 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.964 1.065 7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.697 2.311 7.262 1.00 0.00 H new ATOM 705 N ALA A 52 -2.143 4.971 8.343 1.00 0.00 N ATOM 706 CA ALA A 52 -1.597 6.151 8.983 1.00 0.00 C ATOM 707 C ALA A 52 -2.703 7.175 9.193 1.00 0.00 C ATOM 708 O ALA A 52 -3.582 7.323 8.342 1.00 0.00 O ATOM 709 CB ALA A 52 -0.479 6.742 8.146 1.00 0.00 C ATOM 0 H ALA A 52 -1.858 4.851 7.371 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.182 5.870 9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.082 7.627 8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.315 6.005 8.027 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.866 7.019 7.165 1.00 0.00 H new ATOM 715 N GLN A 53 -2.629 7.900 10.303 1.00 0.00 N ATOM 716 CA GLN A 53 -3.669 8.865 10.704 1.00 0.00 C ATOM 717 C GLN A 53 -3.974 9.915 9.626 1.00 0.00 C ATOM 718 O GLN A 53 -5.022 10.540 9.660 1.00 0.00 O ATOM 719 CB GLN A 53 -3.282 9.572 12.020 1.00 0.00 C ATOM 720 CG GLN A 53 -2.083 10.517 11.912 1.00 0.00 C ATOM 721 CD GLN A 53 -0.763 9.796 11.715 1.00 0.00 C ATOM 722 OE1 GLN A 53 -0.629 8.624 12.315 1.00 0.00 O flip ATOM 723 NE2 GLN A 53 0.131 10.298 11.042 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.849 7.842 10.957 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.577 8.280 10.849 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.142 10.138 12.378 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.063 8.814 12.772 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.243 11.201 11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.026 11.124 12.816 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.014 11.204 10.596 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.019 9.810 10.928 1.00 0.00 H new ATOM 732 N SER A 54 -3.058 10.092 8.685 1.00 0.00 N ATOM 733 CA SER A 54 -3.210 11.086 7.629 1.00 0.00 C ATOM 734 C SER A 54 -4.509 10.906 6.820 1.00 0.00 C ATOM 735 O SER A 54 -5.506 11.577 7.073 1.00 0.00 O ATOM 736 CB SER A 54 -1.979 11.071 6.708 1.00 0.00 C ATOM 737 OG SER A 54 -2.105 12.008 5.658 1.00 0.00 O ATOM 0 H SER A 54 -2.193 9.555 8.630 1.00 0.00 H new ATOM 0 HA SER A 54 -3.285 12.061 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.085 11.294 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.847 10.072 6.292 1.00 0.00 H new ATOM 0 HG SER A 54 -1.306 11.975 5.092 1.00 0.00 H new ATOM 743 N LEU A 55 -4.487 10.001 5.865 1.00 0.00 N ATOM 744 CA LEU A 55 -5.630 9.783 4.989 1.00 0.00 C ATOM 745 C LEU A 55 -6.630 8.794 5.617 1.00 0.00 C ATOM 746 O LEU A 55 -7.812 8.798 5.287 1.00 0.00 O ATOM 747 CB LEU A 55 -5.122 9.308 3.604 1.00 0.00 C ATOM 748 CG LEU A 55 -6.149 9.207 2.457 1.00 0.00 C ATOM 749 CD1 LEU A 55 -5.443 9.376 1.115 1.00 0.00 C ATOM 750 CD2 LEU A 55 -6.873 7.865 2.486 1.00 0.00 C ATOM 0 H LEU A 55 -3.687 9.398 5.671 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.173 10.719 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.331 9.987 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.666 8.326 3.733 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.885 10.000 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.173 9.304 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.958 10.351 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.693 8.594 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.591 7.821 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.148 7.058 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.398 7.755 3.435 1.00 0.00 H new ATOM 762 N ALA A 56 -6.144 7.965 6.539 1.00 0.00 N ATOM 763 CA ALA A 56 -6.980 6.948 7.178 1.00 0.00 C ATOM 764 C ALA A 56 -7.955 7.536 8.172 1.00 0.00 C ATOM 765 O ALA A 56 -8.894 6.863 8.568 1.00 0.00 O ATOM 766 CB ALA A 56 -6.142 5.884 7.854 1.00 0.00 C ATOM 0 H ALA A 56 -5.176 7.977 6.861 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.557 6.490 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.796 5.146 8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.509 5.394 7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.516 6.345 8.618 1.00 0.00 H new ATOM 772 N SER A 57 -7.695 8.766 8.619 1.00 0.00 N ATOM 773 CA SER A 57 -8.552 9.428 9.601 1.00 0.00 C ATOM 774 C SER A 57 -10.020 9.407 9.151 1.00 0.00 C ATOM 775 O SER A 57 -10.446 10.222 8.333 1.00 0.00 O ATOM 776 CB SER A 57 -8.083 10.871 9.842 1.00 0.00 C ATOM 777 OG SER A 57 -8.719 11.431 10.986 1.00 0.00 O ATOM 0 H SER A 57 -6.897 9.323 8.315 1.00 0.00 H new ATOM 0 HA SER A 57 -8.477 8.879 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.002 10.887 9.978 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.303 11.480 8.965 1.00 0.00 H new ATOM 0 HG SER A 57 -8.403 12.349 11.119 1.00 0.00 H new ATOM 783 N THR A 58 -10.766 8.450 9.675 1.00 0.00 N ATOM 784 CA THR A 58 -12.167 8.291 9.341 1.00 0.00 C ATOM 785 C THR A 58 -13.013 8.128 10.610 1.00 0.00 C ATOM 786 O THR A 58 -14.128 8.637 10.695 1.00 0.00 O ATOM 787 CB THR A 58 -12.376 7.070 8.393 1.00 0.00 C ATOM 788 OG1 THR A 58 -13.769 6.893 8.095 1.00 0.00 O ATOM 789 CG2 THR A 58 -11.822 5.788 9.013 1.00 0.00 C ATOM 0 H THR A 58 -10.416 7.763 10.343 1.00 0.00 H new ATOM 0 HA THR A 58 -12.492 9.192 8.821 1.00 0.00 H new ATOM 0 HB THR A 58 -11.833 7.276 7.470 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.881 6.124 7.498 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.982 4.954 8.329 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.754 5.905 9.198 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.334 5.588 9.954 1.00 0.00 H new ATOM 797 N LEU A 59 -12.465 7.421 11.593 1.00 0.00 N ATOM 798 CA LEU A 59 -13.153 7.185 12.856 1.00 0.00 C ATOM 799 C LEU A 59 -12.338 7.734 14.013 1.00 0.00 C ATOM 800 O LEU A 59 -12.536 7.349 15.167 1.00 0.00 O ATOM 801 CB LEU A 59 -13.395 5.688 13.066 1.00 0.00 C ATOM 802 CG LEU A 59 -14.325 5.006 12.058 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.453 3.530 12.374 1.00 0.00 C ATOM 804 CD2 LEU A 59 -15.695 5.668 12.053 1.00 0.00 C ATOM 0 H LEU A 59 -11.538 6.999 11.537 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.114 7.698 12.819 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.432 5.179 13.043 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.808 5.544 14.065 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.890 5.114 11.064 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.117 3.059 11.649 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.470 3.061 12.325 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.864 3.407 13.376 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.338 5.167 11.330 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.139 5.594 13.046 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.591 6.718 11.780 1.00 0.00 H new ATOM 816 N GLY A 60 -11.430 8.635 13.704 1.00 0.00 N ATOM 817 CA GLY A 60 -10.578 9.183 14.727 1.00 0.00 C ATOM 818 C GLY A 60 -9.316 8.375 14.899 1.00 0.00 C ATOM 819 O GLY A 60 -9.106 7.743 15.935 1.00 0.00 O ATOM 0 H GLY A 60 -11.267 8.997 12.765 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.319 10.211 14.472 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.120 9.216 15.672 1.00 0.00 H new ATOM 823 N VAL A 61 -8.468 8.393 13.891 1.00 0.00 N ATOM 824 CA VAL A 61 -7.230 7.643 13.939 1.00 0.00 C ATOM 825 C VAL A 61 -6.152 8.500 14.583 1.00 0.00 C ATOM 826 O VAL A 61 -5.616 9.415 13.960 1.00 0.00 O ATOM 827 CB VAL A 61 -6.771 7.211 12.516 1.00 0.00 C ATOM 828 CG1 VAL A 61 -5.529 6.337 12.586 1.00 0.00 C ATOM 829 CG2 VAL A 61 -7.887 6.481 11.788 1.00 0.00 C ATOM 0 H VAL A 61 -8.613 8.919 13.029 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.397 6.741 14.527 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.524 8.114 11.957 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.229 6.049 11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.720 6.892 13.060 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.746 5.442 13.170 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.544 6.189 10.796 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.168 5.591 12.352 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.751 7.139 11.694 1.00 0.00 H new ATOM 839 N ASP A 62 -5.869 8.217 15.848 1.00 0.00 N ATOM 840 CA ASP A 62 -4.877 8.980 16.613 1.00 0.00 C ATOM 841 C ASP A 62 -4.233 8.109 17.664 1.00 0.00 C ATOM 842 O ASP A 62 -3.601 8.591 18.603 1.00 0.00 O ATOM 843 CB ASP A 62 -5.550 10.171 17.292 1.00 0.00 C ATOM 844 CG ASP A 62 -6.425 9.751 18.471 1.00 0.00 C ATOM 845 OD1 ASP A 62 -7.161 8.738 18.355 1.00 0.00 O ATOM 846 OD2 ASP A 62 -6.377 10.429 19.520 1.00 0.00 O ATOM 0 H ASP A 62 -6.312 7.462 16.372 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.109 9.333 15.924 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.786 10.867 17.640 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.159 10.705 16.563 1.00 0.00 H new ATOM 851 N GLY A 63 -4.375 6.841 17.486 1.00 0.00 N ATOM 852 CA GLY A 63 -3.858 5.903 18.446 1.00 0.00 C ATOM 853 C GLY A 63 -4.913 4.926 18.886 1.00 0.00 C ATOM 854 O GLY A 63 -4.651 3.731 18.974 1.00 0.00 O ATOM 0 H GLY A 63 -4.845 6.420 16.685 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.018 5.361 18.011 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.475 6.442 19.313 1.00 0.00 H new ATOM 858 N ASN A 64 -6.124 5.440 19.126 1.00 0.00 N ATOM 859 CA ASN A 64 -7.250 4.615 19.581 1.00 0.00 C ATOM 860 C ASN A 64 -7.509 3.445 18.639 1.00 0.00 C ATOM 861 O ASN A 64 -7.100 2.319 18.916 1.00 0.00 O ATOM 862 CB ASN A 64 -8.520 5.458 19.755 1.00 0.00 C ATOM 863 CG ASN A 64 -8.445 6.384 20.955 1.00 0.00 C ATOM 864 OD1 ASN A 64 -8.772 5.990 22.073 1.00 0.00 O ATOM 865 ND2 ASN A 64 -8.024 7.619 20.735 1.00 0.00 N ATOM 0 H ASN A 64 -6.351 6.428 19.012 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.975 4.205 20.553 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.686 6.049 18.854 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.379 4.796 19.864 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.962 8.282 21.508 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.762 7.908 19.793 1.00 0.00 H new ATOM 872 N ASN A 65 -8.172 3.706 17.523 1.00 0.00 N ATOM 873 CA ASN A 65 -8.418 2.656 16.546 1.00 0.00 C ATOM 874 C ASN A 65 -7.224 2.518 15.605 1.00 0.00 C ATOM 875 O ASN A 65 -7.312 1.882 14.566 1.00 0.00 O ATOM 876 CB ASN A 65 -9.724 2.900 15.761 1.00 0.00 C ATOM 877 CG ASN A 65 -9.639 4.038 14.760 1.00 0.00 C ATOM 878 OD1 ASN A 65 -9.332 3.714 13.523 1.00 0.00 O flip ATOM 879 ND2 ASN A 65 -9.863 5.191 15.096 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.545 4.622 17.273 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.543 1.717 17.086 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.995 1.985 15.234 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.527 3.110 16.468 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.098 5.403 16.066 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.815 5.942 14.407 1.00 0.00 H new ATOM 886 N LEU A 66 -6.114 3.144 15.983 1.00 0.00 N ATOM 887 CA LEU A 66 -4.869 3.047 15.234 1.00 0.00 C ATOM 888 C LEU A 66 -4.049 1.848 15.715 1.00 0.00 C ATOM 889 O LEU A 66 -3.709 0.959 14.934 1.00 0.00 O ATOM 890 CB LEU A 66 -4.061 4.346 15.372 1.00 0.00 C ATOM 891 CG LEU A 66 -2.651 4.349 14.760 1.00 0.00 C ATOM 892 CD1 LEU A 66 -2.696 3.984 13.285 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.992 5.709 14.949 1.00 0.00 C ATOM 0 H LEU A 66 -6.054 3.731 16.815 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.106 2.899 14.180 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.633 5.153 14.914 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.972 4.581 16.433 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.056 3.596 15.278 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.685 3.994 12.877 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.125 2.988 13.169 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.310 4.708 12.750 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.994 5.694 14.510 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.593 6.476 14.459 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.917 5.932 16.013 1.00 0.00 H new ATOM 905 N ALA A 67 -3.739 1.832 17.014 1.00 0.00 N ATOM 906 CA ALA A 67 -2.965 0.745 17.604 1.00 0.00 C ATOM 907 C ALA A 67 -3.845 -0.477 17.803 1.00 0.00 C ATOM 908 O ALA A 67 -3.389 -1.618 17.712 1.00 0.00 O ATOM 909 CB ALA A 67 -2.356 1.188 18.926 1.00 0.00 C ATOM 0 H ALA A 67 -4.013 2.560 17.674 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.155 0.481 16.924 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.781 0.367 19.355 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.699 2.041 18.756 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.151 1.474 19.615 1.00 0.00 H new ATOM 915 N ARG A 68 -5.106 -0.230 18.080 1.00 0.00 N ATOM 916 CA ARG A 68 -6.073 -1.289 18.236 1.00 0.00 C ATOM 917 C ARG A 68 -7.018 -1.258 17.063 1.00 0.00 C ATOM 918 O ARG A 68 -7.106 -0.254 16.381 1.00 0.00 O ATOM 919 CB ARG A 68 -6.865 -1.141 19.546 1.00 0.00 C ATOM 920 CG ARG A 68 -6.062 -1.418 20.812 1.00 0.00 C ATOM 921 CD ARG A 68 -5.163 -0.251 21.184 1.00 0.00 C ATOM 922 NE ARG A 68 -5.932 0.946 21.524 1.00 0.00 N ATOM 923 CZ ARG A 68 -5.398 2.102 21.913 1.00 0.00 C ATOM 924 NH1 ARG A 68 -4.080 2.236 22.003 1.00 0.00 N ATOM 925 NH2 ARG A 68 -6.186 3.124 22.218 1.00 0.00 N ATOM 0 H ARG A 68 -5.487 0.708 18.203 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.545 -2.242 18.275 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.265 -0.128 19.600 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.718 -1.819 19.517 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.745 -1.626 21.636 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.455 -2.312 20.668 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.536 -0.532 22.030 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.495 -0.029 20.352 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.948 0.891 21.458 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.471 1.451 21.774 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.677 3.124 22.302 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.199 3.024 22.154 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.779 4.010 22.516 1.00 0.00 H new ATOM 939 N PHE A 69 -7.705 -2.361 16.827 1.00 0.00 N ATOM 940 CA PHE A 69 -8.693 -2.472 15.748 1.00 0.00 C ATOM 941 C PHE A 69 -8.067 -2.449 14.341 1.00 0.00 C ATOM 942 O PHE A 69 -8.163 -3.425 13.620 1.00 0.00 O ATOM 943 CB PHE A 69 -9.786 -1.393 15.886 1.00 0.00 C ATOM 944 CG PHE A 69 -10.552 -1.490 17.177 1.00 0.00 C ATOM 945 CD1 PHE A 69 -11.414 -2.548 17.407 1.00 0.00 C ATOM 946 CD2 PHE A 69 -10.398 -0.529 18.163 1.00 0.00 C ATOM 947 CE1 PHE A 69 -12.110 -2.646 18.595 1.00 0.00 C ATOM 948 CE2 PHE A 69 -11.090 -0.622 19.354 1.00 0.00 C ATOM 949 CZ PHE A 69 -11.948 -1.682 19.570 1.00 0.00 C ATOM 0 H PHE A 69 -7.599 -3.214 17.376 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.154 -3.454 15.858 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.326 -0.407 15.817 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.481 -1.480 15.051 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.544 -3.306 16.648 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.729 0.303 17.998 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.781 -3.476 18.762 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.960 0.133 20.115 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.492 -1.757 20.500 1.00 0.00 H new ATOM 959 N ALA A 70 -7.408 -1.351 13.974 1.00 0.00 N ATOM 960 CA ALA A 70 -6.848 -1.199 12.619 1.00 0.00 C ATOM 961 C ALA A 70 -5.889 -2.329 12.255 1.00 0.00 C ATOM 962 O ALA A 70 -6.156 -3.110 11.343 1.00 0.00 O ATOM 963 CB ALA A 70 -6.142 0.136 12.484 1.00 0.00 C ATOM 0 H ALA A 70 -7.246 -0.553 14.588 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.687 -1.242 11.924 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.734 0.232 11.478 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.852 0.943 12.667 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.332 0.194 13.211 1.00 0.00 H new ATOM 969 N VAL A 71 -4.791 -2.424 12.979 1.00 0.00 N ATOM 970 CA VAL A 71 -3.793 -3.443 12.696 1.00 0.00 C ATOM 971 C VAL A 71 -4.279 -4.823 13.112 1.00 0.00 C ATOM 972 O VAL A 71 -4.058 -5.793 12.411 1.00 0.00 O ATOM 973 CB VAL A 71 -2.427 -3.122 13.380 1.00 0.00 C ATOM 974 CG1 VAL A 71 -2.565 -3.052 14.896 1.00 0.00 C ATOM 975 CG2 VAL A 71 -1.374 -4.146 12.977 1.00 0.00 C ATOM 0 H VAL A 71 -4.566 -1.813 13.764 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.637 -3.442 11.617 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.103 -2.140 13.035 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.595 -2.827 15.340 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.276 -2.269 15.161 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.923 -4.010 15.273 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.428 -3.906 13.463 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.698 -5.141 13.283 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.241 -4.125 11.895 1.00 0.00 H new ATOM 985 N GLN A 72 -4.995 -4.885 14.219 1.00 0.00 N ATOM 986 CA GLN A 72 -5.436 -6.152 14.779 1.00 0.00 C ATOM 987 C GLN A 72 -6.508 -6.838 13.928 1.00 0.00 C ATOM 988 O GLN A 72 -6.620 -8.064 13.944 1.00 0.00 O ATOM 989 CB GLN A 72 -5.907 -5.957 16.217 1.00 0.00 C ATOM 990 CG GLN A 72 -4.797 -5.471 17.143 1.00 0.00 C ATOM 991 CD GLN A 72 -5.256 -5.259 18.569 1.00 0.00 C ATOM 992 OE1 GLN A 72 -6.176 -5.922 19.043 1.00 0.00 O ATOM 993 NE2 GLN A 72 -4.618 -4.338 19.262 1.00 0.00 N ATOM 0 H GLN A 72 -5.286 -4.066 14.753 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.577 -6.823 14.777 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.726 -5.238 16.232 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.303 -6.899 16.596 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.983 -6.196 17.135 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.394 -4.535 16.756 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.859 -3.810 18.831 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.883 -4.153 20.230 1.00 0.00 H new ATOM 1002 N ALA A 73 -7.290 -6.062 13.193 1.00 0.00 N ATOM 1003 CA ALA A 73 -8.311 -6.638 12.327 1.00 0.00 C ATOM 1004 C ALA A 73 -7.695 -7.107 11.021 1.00 0.00 C ATOM 1005 O ALA A 73 -7.937 -8.227 10.577 1.00 0.00 O ATOM 1006 CB ALA A 73 -9.425 -5.639 12.053 1.00 0.00 C ATOM 0 H ALA A 73 -7.240 -5.043 13.177 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.743 -7.496 12.842 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.172 -6.096 11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.891 -5.347 12.994 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.011 -4.757 11.564 1.00 0.00 H new ATOM 1012 N VAL A 74 -6.881 -6.249 10.420 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.233 -6.561 9.152 1.00 0.00 C ATOM 1014 C VAL A 74 -5.253 -7.720 9.308 1.00 0.00 C ATOM 1015 O VAL A 74 -5.115 -8.557 8.416 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.503 -5.326 8.569 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.779 -5.675 7.272 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.493 -4.200 8.330 1.00 0.00 C ATOM 0 H VAL A 74 -6.653 -5.327 10.792 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.017 -6.856 8.454 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.757 -4.999 9.294 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.276 -4.788 6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.043 -6.455 7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.501 -6.031 6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.970 -3.336 7.920 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.256 -4.530 7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.965 -3.924 9.273 1.00 0.00 H new ATOM 1028 N SER A 75 -4.595 -7.780 10.450 1.00 0.00 N ATOM 1029 CA SER A 75 -3.641 -8.830 10.716 1.00 0.00 C ATOM 1030 C SER A 75 -4.361 -10.163 10.958 1.00 0.00 C ATOM 1031 O SER A 75 -3.777 -11.238 10.806 1.00 0.00 O ATOM 1032 CB SER A 75 -2.774 -8.455 11.920 1.00 0.00 C ATOM 1033 OG SER A 75 -3.527 -8.484 13.123 1.00 0.00 O ATOM 0 H SER A 75 -4.707 -7.108 11.209 1.00 0.00 H new ATOM 0 HA SER A 75 -2.996 -8.949 9.846 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.935 -9.146 11.996 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.355 -7.459 11.774 1.00 0.00 H new ATOM 0 HG SER A 75 -2.949 -8.242 13.877 1.00 0.00 H new ATOM 1039 N ARG A 76 -5.639 -10.081 11.324 1.00 0.00 N ATOM 1040 CA ARG A 76 -6.439 -11.264 11.579 1.00 0.00 C ATOM 1041 C ARG A 76 -7.158 -11.723 10.307 1.00 0.00 C ATOM 1042 O ARG A 76 -7.665 -12.845 10.241 1.00 0.00 O ATOM 1043 CB ARG A 76 -7.456 -11.004 12.694 1.00 0.00 C ATOM 1044 CG ARG A 76 -8.255 -12.238 13.075 1.00 0.00 C ATOM 1045 CD ARG A 76 -9.266 -11.948 14.155 1.00 0.00 C ATOM 1046 NE ARG A 76 -8.637 -11.631 15.435 1.00 0.00 N ATOM 1047 CZ ARG A 76 -8.846 -12.307 16.568 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -9.607 -13.398 16.571 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -8.276 -11.901 17.692 1.00 0.00 N ATOM 0 H ARG A 76 -6.139 -9.201 11.449 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.765 -12.058 11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.933 -10.632 13.575 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.142 -10.219 12.375 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.767 -12.624 12.194 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.575 -13.019 13.416 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.895 -11.113 13.846 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.920 -12.811 14.278 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.994 -10.839 15.466 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.035 -13.723 15.704 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.762 -13.909 17.440 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.679 -11.074 17.691 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.434 -12.415 18.559 1.00 0.00 H new ATOM 1063 N LEU A 77 -7.193 -10.849 9.301 1.00 0.00 N ATOM 1064 CA LEU A 77 -7.853 -11.147 8.030 1.00 0.00 C ATOM 1065 C LEU A 77 -7.297 -12.414 7.385 1.00 0.00 C ATOM 1066 O LEU A 77 -6.136 -12.450 6.966 1.00 0.00 O ATOM 1067 CB LEU A 77 -7.715 -9.980 7.058 1.00 0.00 C ATOM 1068 CG LEU A 77 -8.653 -8.804 7.281 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -8.312 -7.672 6.320 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -10.103 -9.238 7.092 1.00 0.00 C ATOM 0 H LEU A 77 -6.769 -9.922 9.343 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.908 -11.309 8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.689 -9.614 7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.872 -10.356 6.047 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.528 -8.447 8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.990 -6.835 6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.285 -7.347 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.416 -8.023 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.762 -8.385 7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.241 -9.615 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.344 -10.024 7.807 1.00 0.00 H new ATOM 1171 N TYR A 86 -2.749 -9.488 -0.654 1.00 0.00 N ATOM 1172 CA TYR A 86 -2.639 -8.252 0.089 1.00 0.00 C ATOM 1173 C TYR A 86 -1.553 -7.357 -0.507 1.00 0.00 C ATOM 1174 O TYR A 86 -1.028 -7.628 -1.585 1.00 0.00 O ATOM 1175 CB TYR A 86 -2.339 -8.539 1.562 1.00 0.00 C ATOM 1176 CG TYR A 86 -3.504 -9.140 2.305 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -3.759 -10.502 2.253 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -4.352 -8.341 3.060 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -4.826 -11.053 2.927 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -5.421 -8.881 3.739 1.00 0.00 C ATOM 1181 CZ TYR A 86 -5.653 -10.243 3.670 1.00 0.00 C ATOM 1182 OH TYR A 86 -6.717 -10.795 4.339 1.00 0.00 O ATOM 0 HA TYR A 86 -3.592 -7.728 0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -1.488 -9.217 1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.045 -7.611 2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.110 -11.142 1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.170 -7.278 3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.012 -12.115 2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.073 -8.246 4.321 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.388 -11.343 5.082 1.00 0.00 H new ATOM 1192 N ALA A 87 -1.201 -6.309 0.213 1.00 0.00 N ATOM 1193 CA ALA A 87 -0.187 -5.361 -0.241 1.00 0.00 C ATOM 1194 C ALA A 87 1.228 -5.914 -0.052 1.00 0.00 C ATOM 1195 O ALA A 87 2.192 -5.157 0.053 1.00 0.00 O ATOM 1196 CB ALA A 87 -0.343 -4.059 0.508 1.00 0.00 C ATOM 0 H ALA A 87 -1.603 -6.087 1.124 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.332 -5.191 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.414 -3.351 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.335 -3.648 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.221 -4.237 1.576 1.00 0.00 H new ATOM 1202 N GLN A 88 1.333 -7.228 -0.030 1.00 0.00 N ATOM 1203 CA GLN A 88 2.595 -7.908 0.147 1.00 0.00 C ATOM 1204 C GLN A 88 3.275 -8.099 -1.191 1.00 0.00 C ATOM 1205 O GLN A 88 4.380 -7.610 -1.416 1.00 0.00 O ATOM 1206 CB GLN A 88 2.357 -9.254 0.816 1.00 0.00 C ATOM 1207 CG GLN A 88 1.756 -9.127 2.198 1.00 0.00 C ATOM 1208 CD GLN A 88 1.194 -10.425 2.719 1.00 0.00 C ATOM 1209 OE1 GLN A 88 1.658 -11.510 2.371 1.00 0.00 O ATOM 1210 NE2 GLN A 88 0.192 -10.319 3.566 1.00 0.00 N ATOM 0 H GLN A 88 0.537 -7.856 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 88 3.244 -7.304 0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.694 -9.852 0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.302 -9.792 0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.519 -8.765 2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.965 -8.378 2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.161 -9.398 3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.232 -11.158 3.962 1.00 0.00 H new ATOM 1219 N ALA A 89 2.604 -8.796 -2.089 1.00 0.00 N ATOM 1220 CA ALA A 89 3.138 -9.011 -3.413 1.00 0.00 C ATOM 1221 C ALA A 89 3.118 -7.708 -4.186 1.00 0.00 C ATOM 1222 O ALA A 89 4.120 -7.301 -4.760 1.00 0.00 O ATOM 1223 CB ALA A 89 2.345 -10.082 -4.140 1.00 0.00 C ATOM 0 H ALA A 89 1.691 -9.220 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 89 4.169 -9.356 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.762 -10.230 -5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.398 -11.016 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.304 -9.769 -4.225 1.00 0.00 H new ATOM 1229 N PHE A 90 1.975 -7.029 -4.148 1.00 0.00 N ATOM 1230 CA PHE A 90 1.793 -5.754 -4.849 1.00 0.00 C ATOM 1231 C PHE A 90 2.424 -4.600 -4.070 1.00 0.00 C ATOM 1232 O PHE A 90 2.065 -3.440 -4.262 1.00 0.00 O ATOM 1233 CB PHE A 90 0.299 -5.479 -5.069 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.380 -6.472 -5.971 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -0.951 -7.625 -5.455 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.447 -6.249 -7.336 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -1.575 -8.536 -6.286 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.068 -7.154 -8.171 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.633 -8.301 -7.646 1.00 0.00 C ATOM 0 H PHE A 90 1.151 -7.342 -3.635 1.00 0.00 H new ATOM 0 HA PHE A 90 2.292 -5.828 -5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.206 -5.477 -4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.182 -4.481 -5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.908 -7.813 -4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.007 -5.355 -7.752 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.017 -9.431 -5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.113 -6.967 -9.234 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.119 -9.012 -8.298 1.00 0.00 H new ATOM 1249 N SER A 91 3.390 -4.931 -3.233 1.00 0.00 N ATOM 1250 CA SER A 91 4.062 -3.977 -2.371 1.00 0.00 C ATOM 1251 C SER A 91 4.573 -2.749 -3.133 1.00 0.00 C ATOM 1252 O SER A 91 4.156 -1.632 -2.862 1.00 0.00 O ATOM 1253 CB SER A 91 5.216 -4.674 -1.651 1.00 0.00 C ATOM 1254 OG SER A 91 5.956 -5.484 -2.557 1.00 0.00 O ATOM 0 H SER A 91 3.735 -5.886 -3.132 1.00 0.00 H new ATOM 0 HA SER A 91 3.333 -3.612 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.873 -3.930 -1.200 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.827 -5.289 -0.840 1.00 0.00 H new ATOM 0 HG SER A 91 5.686 -6.420 -2.454 1.00 0.00 H new ATOM 1260 N SER A 92 5.452 -2.966 -4.097 1.00 0.00 N ATOM 1261 CA SER A 92 6.079 -1.861 -4.825 1.00 0.00 C ATOM 1262 C SER A 92 5.089 -1.048 -5.657 1.00 0.00 C ATOM 1263 O SER A 92 5.262 0.162 -5.816 1.00 0.00 O ATOM 1264 CB SER A 92 7.200 -2.380 -5.712 1.00 0.00 C ATOM 1265 OG SER A 92 8.096 -3.195 -4.971 1.00 0.00 O ATOM 0 H SER A 92 5.751 -3.894 -4.398 1.00 0.00 H new ATOM 0 HA SER A 92 6.485 -1.187 -4.071 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.780 -2.953 -6.538 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.742 -1.541 -6.149 1.00 0.00 H new ATOM 0 HG SER A 92 7.975 -4.133 -5.229 1.00 0.00 H new ATOM 1271 N ALA A 93 4.065 -1.697 -6.175 1.00 0.00 N ATOM 1272 CA ALA A 93 3.099 -1.015 -7.022 1.00 0.00 C ATOM 1273 C ALA A 93 2.137 -0.170 -6.208 1.00 0.00 C ATOM 1274 O ALA A 93 1.740 0.902 -6.636 1.00 0.00 O ATOM 1275 CB ALA A 93 2.335 -2.010 -7.874 1.00 0.00 C ATOM 0 H ALA A 93 3.879 -2.689 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 93 3.657 -0.346 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.618 -1.478 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.033 -2.558 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.804 -2.710 -7.228 1.00 0.00 H new ATOM 1281 N LEU A 94 1.760 -0.665 -5.042 1.00 0.00 N ATOM 1282 CA LEU A 94 0.829 0.045 -4.185 1.00 0.00 C ATOM 1283 C LEU A 94 1.539 1.079 -3.320 1.00 0.00 C ATOM 1284 O LEU A 94 0.942 2.066 -2.912 1.00 0.00 O ATOM 1285 CB LEU A 94 0.076 -0.932 -3.288 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.627 -2.088 -3.991 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.363 -2.945 -2.982 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.574 -1.576 -5.063 1.00 0.00 C ATOM 0 H LEU A 94 2.085 -1.556 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 94 0.124 0.563 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.780 -1.347 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.668 -0.373 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 94 0.127 -2.704 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.861 -3.767 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.653 -3.347 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.106 -2.339 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.063 -2.420 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.327 -0.934 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.012 -1.006 -5.803 1.00 0.00 H new ATOM 1300 N PHE A 95 2.799 0.822 -3.017 1.00 0.00 N ATOM 1301 CA PHE A 95 3.579 1.708 -2.160 1.00 0.00 C ATOM 1302 C PHE A 95 4.154 2.869 -2.954 1.00 0.00 C ATOM 1303 O PHE A 95 4.201 3.995 -2.465 1.00 0.00 O ATOM 1304 CB PHE A 95 4.707 0.915 -1.479 1.00 0.00 C ATOM 1305 CG PHE A 95 5.509 1.691 -0.472 1.00 0.00 C ATOM 1306 CD1 PHE A 95 4.972 2.014 0.761 1.00 0.00 C ATOM 1307 CD2 PHE A 95 6.807 2.081 -0.753 1.00 0.00 C ATOM 1308 CE1 PHE A 95 5.710 2.714 1.693 1.00 0.00 C ATOM 1309 CE2 PHE A 95 7.550 2.782 0.174 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.001 3.099 1.399 1.00 0.00 C ATOM 0 H PHE A 95 3.309 0.004 -3.352 1.00 0.00 H new ATOM 0 HA PHE A 95 2.918 2.119 -1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.273 0.046 -0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.382 0.539 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.962 1.714 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.243 1.834 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.277 2.960 2.651 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.561 3.082 -0.059 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.581 3.648 2.126 1.00 0.00 H new ATOM 1320 N ASN A 96 4.581 2.578 -4.185 1.00 0.00 N ATOM 1321 CA ASN A 96 5.197 3.569 -5.070 1.00 0.00 C ATOM 1322 C ASN A 96 6.370 4.264 -4.385 1.00 0.00 C ATOM 1323 O ASN A 96 6.285 5.422 -3.997 1.00 0.00 O ATOM 1324 CB ASN A 96 4.176 4.607 -5.572 1.00 0.00 C ATOM 1325 CG ASN A 96 3.008 3.982 -6.305 1.00 0.00 C ATOM 1326 OD1 ASN A 96 1.980 3.694 -5.713 1.00 0.00 O ATOM 1327 ND2 ASN A 96 3.161 3.771 -7.603 1.00 0.00 N ATOM 0 H ASN A 96 4.509 1.647 -4.597 1.00 0.00 H new ATOM 0 HA ASN A 96 5.573 3.028 -5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.801 5.179 -4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.679 5.312 -6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.404 3.354 -8.145 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.036 4.026 -8.061 1.00 0.00 H new ATOM 1334 N ALA A 97 7.469 3.536 -4.241 1.00 0.00 N ATOM 1335 CA ALA A 97 8.661 4.059 -3.577 1.00 0.00 C ATOM 1336 C ALA A 97 9.434 5.020 -4.477 1.00 0.00 C ATOM 1337 O ALA A 97 10.447 5.581 -4.074 1.00 0.00 O ATOM 1338 CB ALA A 97 9.565 2.912 -3.146 1.00 0.00 C ATOM 0 H ALA A 97 7.562 2.577 -4.576 1.00 0.00 H new ATOM 0 HA ALA A 97 8.333 4.615 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.450 3.312 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.026 2.264 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.867 2.338 -4.022 1.00 0.00 H new ATOM 1344 N GLY A 98 8.964 5.190 -5.703 1.00 0.00 N ATOM 1345 CA GLY A 98 9.640 6.065 -6.646 1.00 0.00 C ATOM 1346 C GLY A 98 10.812 5.381 -7.320 1.00 0.00 C ATOM 1347 O GLY A 98 11.429 5.930 -8.229 1.00 0.00 O ATOM 0 H GLY A 98 8.125 4.738 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.931 6.398 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.991 6.956 -6.125 1.00 0.00 H new ATOM 1351 N VAL A 99 11.106 4.172 -6.874 1.00 0.00 N ATOM 1352 CA VAL A 99 12.209 3.391 -7.413 1.00 0.00 C ATOM 1353 C VAL A 99 11.678 2.392 -8.453 1.00 0.00 C ATOM 1354 O VAL A 99 12.320 1.393 -8.770 1.00 0.00 O ATOM 1355 CB VAL A 99 12.948 2.622 -6.278 1.00 0.00 C ATOM 1356 CG1 VAL A 99 14.309 2.121 -6.746 1.00 0.00 C ATOM 1357 CG2 VAL A 99 13.099 3.499 -5.042 1.00 0.00 C ATOM 0 H VAL A 99 10.589 3.704 -6.130 1.00 0.00 H new ATOM 0 HA VAL A 99 12.915 4.072 -7.887 1.00 0.00 H new ATOM 0 HB VAL A 99 12.342 1.755 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 99 14.800 1.588 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.177 1.447 -7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.924 2.968 -7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.618 2.942 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.674 4.389 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.113 3.794 -4.683 1.00 0.00 H new ATOM 1367 N LEU A 100 10.508 2.687 -8.997 1.00 0.00 N ATOM 1368 CA LEU A 100 9.889 1.807 -9.973 1.00 0.00 C ATOM 1369 C LEU A 100 9.734 2.492 -11.314 1.00 0.00 C ATOM 1370 O LEU A 100 9.814 3.718 -11.410 1.00 0.00 O ATOM 1371 CB LEU A 100 8.528 1.268 -9.486 1.00 0.00 C ATOM 1372 CG LEU A 100 7.416 2.284 -9.237 1.00 0.00 C ATOM 1373 CD1 LEU A 100 6.072 1.587 -9.299 1.00 0.00 C ATOM 1374 CD2 LEU A 100 7.589 2.946 -7.881 1.00 0.00 C ATOM 0 H LEU A 100 9.970 3.526 -8.780 1.00 0.00 H new ATOM 0 HA LEU A 100 10.559 0.956 -10.095 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.168 0.549 -10.222 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.696 0.719 -8.559 1.00 0.00 H new ATOM 0 HG LEU A 100 7.466 3.054 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.278 2.312 -9.121 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.940 1.138 -10.283 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.030 0.809 -8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.787 3.667 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.555 2.188 -7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.550 3.460 -7.847 1.00 0.00 H new ATOM 1386 N ASN A 101 9.500 1.694 -12.339 1.00 0.00 N ATOM 1387 CA ASN A 101 9.364 2.190 -13.697 1.00 0.00 C ATOM 1388 C ASN A 101 8.062 2.964 -13.881 1.00 0.00 C ATOM 1389 O ASN A 101 6.973 2.477 -13.554 1.00 0.00 O ATOM 1390 CB ASN A 101 9.467 1.030 -14.716 1.00 0.00 C ATOM 1391 CG ASN A 101 8.434 -0.078 -14.503 1.00 0.00 C ATOM 1392 OD1 ASN A 101 7.974 -0.323 -13.386 1.00 0.00 O ATOM 1393 ND2 ASN A 101 8.077 -0.762 -15.574 1.00 0.00 N ATOM 0 H ASN A 101 9.399 0.683 -12.254 1.00 0.00 H new ATOM 0 HA ASN A 101 10.186 2.882 -13.882 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.351 1.432 -15.722 1.00 0.00 H new ATOM 0 HB3 ASN A 101 10.466 0.597 -14.659 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.400 -1.521 -15.492 1.00 0.00 H new ATOM 0 HD22 ASN A 101 8.478 -0.532 -16.483 1.00 0.00 H new ATOM 1400 N ALA A 102 8.182 4.172 -14.410 1.00 0.00 N ATOM 1401 CA ALA A 102 7.032 5.038 -14.626 1.00 0.00 C ATOM 1402 C ALA A 102 6.156 4.515 -15.749 1.00 0.00 C ATOM 1403 O ALA A 102 4.975 4.839 -15.822 1.00 0.00 O ATOM 1404 CB ALA A 102 7.484 6.459 -14.929 1.00 0.00 C ATOM 0 H ALA A 102 9.072 4.578 -14.700 1.00 0.00 H new ATOM 0 HA ALA A 102 6.442 5.045 -13.710 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.611 7.092 -15.088 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.063 6.843 -14.090 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.102 6.461 -15.827 1.00 0.00 H new ATOM 1410 N SER A 103 6.730 3.678 -16.605 1.00 0.00 N ATOM 1411 CA SER A 103 6.006 3.129 -17.733 1.00 0.00 C ATOM 1412 C SER A 103 4.906 2.226 -17.227 1.00 0.00 C ATOM 1413 O SER A 103 3.815 2.195 -17.769 1.00 0.00 O ATOM 1414 CB SER A 103 6.956 2.356 -18.657 1.00 0.00 C ATOM 1415 OG SER A 103 6.273 1.847 -19.796 1.00 0.00 O ATOM 0 H SER A 103 7.699 3.367 -16.534 1.00 0.00 H new ATOM 0 HA SER A 103 5.566 3.943 -18.309 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.766 3.011 -18.979 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.412 1.533 -18.106 1.00 0.00 H new ATOM 0 HG SER A 103 6.905 1.361 -20.366 1.00 0.00 H new ATOM 1421 N ASN A 104 5.203 1.522 -16.158 1.00 0.00 N ATOM 1422 CA ASN A 104 4.265 0.627 -15.523 1.00 0.00 C ATOM 1423 C ASN A 104 3.052 1.409 -15.021 1.00 0.00 C ATOM 1424 O ASN A 104 1.904 1.064 -15.309 1.00 0.00 O ATOM 1425 CB ASN A 104 4.982 -0.082 -14.371 1.00 0.00 C ATOM 1426 CG ASN A 104 4.068 -0.769 -13.369 1.00 0.00 C ATOM 1427 OD1 ASN A 104 3.000 -1.274 -13.708 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.500 -0.794 -12.121 1.00 0.00 N ATOM 0 H ASN A 104 6.114 1.556 -15.700 1.00 0.00 H new ATOM 0 HA ASN A 104 3.905 -0.116 -16.235 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.661 -0.825 -14.789 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.594 0.647 -13.841 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.941 -1.245 -11.397 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.393 -0.363 -11.882 1.00 0.00 H new ATOM 1435 N ILE A 105 3.316 2.486 -14.313 1.00 0.00 N ATOM 1436 CA ILE A 105 2.256 3.307 -13.767 1.00 0.00 C ATOM 1437 C ILE A 105 1.498 4.037 -14.874 1.00 0.00 C ATOM 1438 O ILE A 105 0.275 4.157 -14.825 1.00 0.00 O ATOM 1439 CB ILE A 105 2.804 4.319 -12.731 1.00 0.00 C ATOM 1440 CG1 ILE A 105 3.581 3.580 -11.632 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.675 5.146 -12.123 1.00 0.00 C ATOM 1442 CD1 ILE A 105 2.802 2.449 -10.983 1.00 0.00 C ATOM 0 H ILE A 105 4.258 2.814 -14.101 1.00 0.00 H new ATOM 0 HA ILE A 105 1.560 2.641 -13.256 1.00 0.00 H new ATOM 0 HB ILE A 105 3.481 5.002 -13.244 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.500 3.178 -12.058 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.873 4.295 -10.863 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.088 5.848 -11.399 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.162 5.697 -12.911 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.967 4.484 -11.624 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.417 1.976 -10.218 1.00 0.00 H new ATOM 0 HD12 ILE A 105 1.896 2.847 -10.526 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.533 1.712 -11.739 1.00 0.00 H new ATOM 1454 N ASP A 106 2.222 4.490 -15.877 1.00 0.00 N ATOM 1455 CA ASP A 106 1.620 5.209 -16.996 1.00 0.00 C ATOM 1456 C ASP A 106 0.827 4.266 -17.908 1.00 0.00 C ATOM 1457 O ASP A 106 -0.096 4.684 -18.596 1.00 0.00 O ATOM 1458 CB ASP A 106 2.698 5.946 -17.795 1.00 0.00 C ATOM 1459 CG ASP A 106 2.138 6.719 -18.972 1.00 0.00 C ATOM 1460 OD1 ASP A 106 1.480 7.759 -18.748 1.00 0.00 O ATOM 1461 OD2 ASP A 106 2.363 6.294 -20.129 1.00 0.00 O ATOM 0 H ASP A 106 3.233 4.375 -15.946 1.00 0.00 H new ATOM 0 HA ASP A 106 0.921 5.939 -16.587 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.226 6.633 -17.134 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.431 5.225 -18.157 1.00 0.00 H new ATOM 1466 N THR A 107 1.176 2.996 -17.899 1.00 0.00 N ATOM 1467 CA THR A 107 0.481 2.029 -18.731 1.00 0.00 C ATOM 1468 C THR A 107 -0.842 1.599 -18.100 1.00 0.00 C ATOM 1469 O THR A 107 -1.903 1.738 -18.711 1.00 0.00 O ATOM 1470 CB THR A 107 1.353 0.777 -19.020 1.00 0.00 C ATOM 1471 OG1 THR A 107 2.530 1.159 -19.748 1.00 0.00 O ATOM 1472 CG2 THR A 107 0.578 -0.259 -19.828 1.00 0.00 C ATOM 0 H THR A 107 1.930 2.609 -17.331 1.00 0.00 H new ATOM 0 HA THR A 107 0.275 2.529 -19.678 1.00 0.00 H new ATOM 0 HB THR A 107 1.634 0.335 -18.064 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.209 1.488 -19.123 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.214 -1.124 -20.015 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.304 -0.571 -19.269 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.270 0.177 -20.778 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.788 1.104 -16.875 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.997 0.599 -16.231 1.00 0.00 C ATOM 1482 C LEU A 108 -2.186 1.149 -14.827 1.00 0.00 C ATOM 1483 O LEU A 108 -3.305 1.188 -14.328 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.995 -0.931 -16.179 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.976 -1.579 -15.226 1.00 0.00 C ATOM 1486 CD1 LEU A 108 -1.376 -3.002 -14.921 1.00 0.00 C ATOM 1487 CD2 LEU A 108 0.424 -1.554 -15.817 1.00 0.00 C ATOM 0 H LEU A 108 0.060 1.040 -16.312 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.831 0.944 -16.842 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.992 -1.265 -15.892 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.810 -1.307 -17.185 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.969 -1.000 -14.302 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.646 -3.448 -14.246 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.359 -3.011 -14.450 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.412 -3.576 -15.847 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.121 -2.019 -15.120 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.431 -2.103 -16.758 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.725 -0.522 -15.997 1.00 0.00 H new ATOM 1499 N GLY A 109 -1.098 1.573 -14.200 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.163 2.063 -12.831 1.00 0.00 C ATOM 1501 C GLY A 109 -2.223 3.133 -12.619 1.00 0.00 C ATOM 1502 O GLY A 109 -3.206 2.918 -11.914 1.00 0.00 O ATOM 0 H GLY A 109 -0.166 1.588 -14.614 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.365 1.226 -12.163 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.190 2.466 -12.551 1.00 0.00 H new ATOM 1506 N SER A 110 -2.041 4.268 -13.241 1.00 0.00 N ATOM 1507 CA SER A 110 -2.961 5.375 -13.073 1.00 0.00 C ATOM 1508 C SER A 110 -4.238 5.190 -13.904 1.00 0.00 C ATOM 1509 O SER A 110 -5.214 5.904 -13.714 1.00 0.00 O ATOM 1510 CB SER A 110 -2.265 6.681 -13.436 1.00 0.00 C ATOM 1511 OG SER A 110 -1.515 6.533 -14.630 1.00 0.00 O ATOM 0 H SER A 110 -1.262 4.456 -13.872 1.00 0.00 H new ATOM 0 HA SER A 110 -3.264 5.407 -12.027 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.005 7.471 -13.561 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.607 6.987 -12.623 1.00 0.00 H new ATOM 0 HG SER A 110 -0.840 7.242 -14.682 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.223 4.220 -14.806 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.371 3.968 -15.680 1.00 0.00 C ATOM 1519 C ARG A 111 -6.387 3.015 -15.041 1.00 0.00 C ATOM 1520 O ARG A 111 -7.575 3.320 -14.970 1.00 0.00 O ATOM 1521 CB ARG A 111 -4.917 3.425 -17.042 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.488 4.501 -18.039 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.279 5.292 -17.556 1.00 0.00 C ATOM 1524 NE ARG A 111 -2.900 6.335 -18.513 1.00 0.00 N ATOM 1525 CZ ARG A 111 -1.854 7.156 -18.377 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -1.138 7.149 -17.264 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -1.547 8.006 -19.345 1.00 0.00 N ATOM 0 H ARG A 111 -3.433 3.593 -14.956 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.868 4.926 -15.831 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.085 2.738 -16.887 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.731 2.846 -17.478 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.254 4.034 -18.996 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.320 5.184 -18.213 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.503 5.747 -16.591 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.438 4.615 -17.402 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.478 6.443 -19.346 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.383 6.515 -16.504 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.341 7.778 -17.166 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.109 8.035 -20.196 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.749 8.632 -19.240 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.915 1.866 -14.588 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.790 0.863 -13.991 1.00 0.00 C ATOM 1543 C VAL A 112 -7.045 1.159 -12.513 1.00 0.00 C ATOM 1544 O VAL A 112 -8.181 1.072 -12.035 1.00 0.00 O ATOM 1545 CB VAL A 112 -6.199 -0.563 -14.140 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -7.149 -1.610 -13.568 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.890 -0.864 -15.602 1.00 0.00 C ATOM 0 H VAL A 112 -4.930 1.601 -14.621 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.737 0.908 -14.528 1.00 0.00 H new ATOM 0 HB VAL A 112 -5.269 -0.604 -13.573 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -6.711 -2.601 -13.685 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.316 -1.410 -12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.099 -1.568 -14.100 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -5.476 -1.869 -15.687 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.806 -0.798 -16.189 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.166 -0.141 -15.977 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.986 1.510 -11.796 1.00 0.00 N ATOM 1558 CA LEU A 113 -6.094 1.802 -10.373 1.00 0.00 C ATOM 1559 C LEU A 113 -6.661 3.198 -10.155 1.00 0.00 C ATOM 1560 O LEU A 113 -7.619 3.374 -9.404 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.730 1.667 -9.662 1.00 0.00 C ATOM 1562 CG LEU A 113 -4.120 0.253 -9.585 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -3.692 -0.242 -10.957 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -2.942 0.235 -8.625 1.00 0.00 C ATOM 0 H LEU A 113 -5.044 1.599 -12.176 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.775 1.070 -9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.017 2.317 -10.170 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.838 2.045 -8.646 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.890 -0.422 -9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.266 -1.241 -10.867 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.558 -0.275 -11.618 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.945 0.435 -11.371 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.523 -0.770 -8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.179 0.932 -8.972 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.278 0.531 -7.631 1.00 0.00 H new ATOM 1576 N SER A 114 -6.048 4.179 -10.815 1.00 0.00 N ATOM 1577 CA SER A 114 -6.471 5.581 -10.752 1.00 0.00 C ATOM 1578 C SER A 114 -6.588 6.112 -9.312 1.00 0.00 C ATOM 1579 O SER A 114 -5.586 6.514 -8.712 1.00 0.00 O ATOM 1580 CB SER A 114 -7.791 5.785 -11.508 1.00 0.00 C ATOM 1581 OG SER A 114 -7.673 5.385 -12.860 1.00 0.00 O ATOM 0 H SER A 114 -5.237 4.024 -11.414 1.00 0.00 H new ATOM 0 HA SER A 114 -5.686 6.161 -11.237 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.582 5.212 -11.024 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.082 6.834 -11.460 1.00 0.00 H new ATOM 0 HG SER A 114 -6.903 5.834 -13.268 1.00 0.00 H new ATOM 1587 N ALA A 115 -7.813 6.055 -8.762 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.138 6.596 -7.438 1.00 0.00 C ATOM 1589 C ALA A 115 -7.153 6.162 -6.364 1.00 0.00 C ATOM 1590 O ALA A 115 -6.769 6.964 -5.506 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.551 6.193 -7.042 1.00 0.00 C ATOM 0 H ALA A 115 -8.611 5.627 -9.232 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.068 7.681 -7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.783 6.599 -6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.259 6.585 -7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.624 5.106 -7.012 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.740 4.901 -6.406 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.817 4.394 -5.413 1.00 0.00 C ATOM 1599 C LEU A 116 -4.489 5.115 -5.494 1.00 0.00 C ATOM 1600 O LEU A 116 -4.032 5.702 -4.510 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.594 2.885 -5.559 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.655 2.271 -4.514 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -5.232 2.428 -3.117 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.379 0.811 -4.818 1.00 0.00 C ATOM 0 H LEU A 116 -7.029 4.222 -7.110 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.267 4.579 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.559 2.382 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.190 2.686 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.707 2.808 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.551 1.986 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.363 3.487 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.197 1.924 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.710 0.402 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.316 0.255 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.912 0.726 -5.799 1.00 0.00 H new ATOM 1616 N LEU A 117 -3.885 5.098 -6.673 1.00 0.00 N ATOM 1617 CA LEU A 117 -2.584 5.704 -6.857 1.00 0.00 C ATOM 1618 C LEU A 117 -2.625 7.207 -6.685 1.00 0.00 C ATOM 1619 O LEU A 117 -1.641 7.800 -6.284 1.00 0.00 O ATOM 1620 CB LEU A 117 -1.972 5.325 -8.203 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.629 3.842 -8.376 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -0.793 3.632 -9.621 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.902 3.303 -7.149 1.00 0.00 C ATOM 0 H LEU A 117 -4.278 4.671 -7.512 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.941 5.305 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.666 5.614 -8.992 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.063 5.910 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.562 3.290 -8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.559 2.573 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.350 3.970 -10.495 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.133 4.202 -9.538 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.670 2.248 -7.298 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.023 3.860 -7.000 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.538 3.414 -6.271 1.00 0.00 H new ATOM 1635 N ASN A 118 -3.763 7.823 -6.980 1.00 0.00 N ATOM 1636 CA ASN A 118 -3.909 9.270 -6.791 1.00 0.00 C ATOM 1637 C ASN A 118 -3.650 9.631 -5.336 1.00 0.00 C ATOM 1638 O ASN A 118 -2.850 10.518 -5.035 1.00 0.00 O ATOM 1639 CB ASN A 118 -5.309 9.754 -7.202 1.00 0.00 C ATOM 1640 CG ASN A 118 -5.610 9.564 -8.680 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -4.587 9.616 -9.517 1.00 0.00 O flip ATOM 1642 ND2 ASN A 118 -6.762 9.373 -9.064 1.00 0.00 N flip ATOM 0 H ASN A 118 -4.592 7.355 -7.347 1.00 0.00 H new ATOM 0 HA ASN A 118 -3.178 9.766 -7.430 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -6.056 9.218 -6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -5.406 10.811 -6.953 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.526 9.339 -8.389 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.954 9.248 -10.058 1.00 0.00 H new ATOM 1649 N GLY A 119 -4.308 8.913 -4.435 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.124 9.152 -3.019 1.00 0.00 C ATOM 1651 C GLY A 119 -2.767 8.677 -2.531 1.00 0.00 C ATOM 1652 O GLY A 119 -2.152 9.309 -1.669 1.00 0.00 O ATOM 0 H GLY A 119 -4.967 8.168 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.229 10.218 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -4.909 8.641 -2.461 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.295 7.562 -3.083 1.00 0.00 N ATOM 1657 CA VAL A 120 -0.991 7.020 -2.709 1.00 0.00 C ATOM 1658 C VAL A 120 0.132 7.985 -3.108 1.00 0.00 C ATOM 1659 O VAL A 120 1.096 8.170 -2.361 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.736 5.623 -3.344 1.00 0.00 C ATOM 1661 CG1 VAL A 120 0.678 5.150 -3.051 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -1.747 4.603 -2.824 1.00 0.00 C ATOM 0 H VAL A 120 -2.793 7.018 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.995 6.900 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.856 5.716 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.835 4.171 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.393 5.861 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.822 5.078 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.552 3.632 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.656 4.520 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.756 4.928 -3.079 1.00 0.00 H new ATOM 1672 N SER A 121 -0.020 8.611 -4.270 1.00 0.00 N ATOM 1673 CA SER A 121 0.957 9.571 -4.773 1.00 0.00 C ATOM 1674 C SER A 121 1.153 10.714 -3.794 1.00 0.00 C ATOM 1675 O SER A 121 2.276 11.101 -3.489 1.00 0.00 O ATOM 1676 CB SER A 121 0.497 10.135 -6.112 1.00 0.00 C ATOM 1677 OG SER A 121 0.439 9.121 -7.104 1.00 0.00 O ATOM 0 H SER A 121 -0.819 8.469 -4.887 1.00 0.00 H new ATOM 0 HA SER A 121 1.905 9.047 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.486 10.593 -5.998 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.180 10.922 -6.432 1.00 0.00 H new ATOM 0 HG SER A 121 -0.212 8.439 -6.837 1.00 0.00 H new ATOM 1683 N SER A 122 0.055 11.242 -3.305 1.00 0.00 N ATOM 1684 CA SER A 122 0.092 12.350 -2.388 1.00 0.00 C ATOM 1685 C SER A 122 0.622 11.920 -1.017 1.00 0.00 C ATOM 1686 O SER A 122 1.439 12.614 -0.408 1.00 0.00 O ATOM 1687 CB SER A 122 -1.308 12.934 -2.254 1.00 0.00 C ATOM 1688 OG SER A 122 -1.852 13.240 -3.527 1.00 0.00 O ATOM 0 H SER A 122 -0.884 10.915 -3.532 1.00 0.00 H new ATOM 0 HA SER A 122 0.771 13.107 -2.780 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.955 12.224 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.273 13.836 -1.642 1.00 0.00 H new ATOM 0 HG SER A 122 -2.144 12.414 -3.965 1.00 0.00 H new ATOM 1694 N ALA A 123 0.167 10.768 -0.549 1.00 0.00 N ATOM 1695 CA ALA A 123 0.532 10.288 0.770 1.00 0.00 C ATOM 1696 C ALA A 123 1.874 9.539 0.793 1.00 0.00 C ATOM 1697 O ALA A 123 2.906 10.106 1.155 1.00 0.00 O ATOM 1698 CB ALA A 123 -0.580 9.414 1.337 1.00 0.00 C ATOM 0 H ALA A 123 -0.457 10.149 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 123 0.663 11.168 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.295 9.059 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.499 9.996 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.743 8.560 0.679 1.00 0.00 H new ATOM 1704 N ALA A 124 1.851 8.276 0.391 1.00 0.00 N ATOM 1705 CA ALA A 124 3.021 7.403 0.494 1.00 0.00 C ATOM 1706 C ALA A 124 4.170 7.834 -0.411 1.00 0.00 C ATOM 1707 O ALA A 124 5.300 7.958 0.043 1.00 0.00 O ATOM 1708 CB ALA A 124 2.628 5.958 0.220 1.00 0.00 C ATOM 0 H ALA A 124 1.030 7.826 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 124 3.389 7.488 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.508 5.320 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.882 5.640 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.212 5.878 -0.784 1.00 0.00 H new ATOM 1714 N GLN A 125 3.876 8.076 -1.670 1.00 0.00 N ATOM 1715 CA GLN A 125 4.907 8.454 -2.629 1.00 0.00 C ATOM 1716 C GLN A 125 5.413 9.873 -2.355 1.00 0.00 C ATOM 1717 O GLN A 125 6.567 10.198 -2.630 1.00 0.00 O ATOM 1718 CB GLN A 125 4.353 8.329 -4.063 1.00 0.00 C ATOM 1719 CG GLN A 125 5.402 8.406 -5.177 1.00 0.00 C ATOM 1720 CD GLN A 125 5.760 9.828 -5.574 1.00 0.00 C ATOM 1721 OE1 GLN A 125 4.935 10.739 -5.493 1.00 0.00 O ATOM 1722 NE2 GLN A 125 6.985 10.023 -6.015 1.00 0.00 N ATOM 0 H GLN A 125 2.935 8.020 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 125 5.755 7.778 -2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.824 7.380 -4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.619 9.119 -4.222 1.00 0.00 H new ATOM 0 HG2 GLN A 125 6.305 7.890 -4.851 1.00 0.00 H new ATOM 0 HG3 GLN A 125 5.030 7.875 -6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 125 7.639 9.242 -6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 125 7.280 10.955 -6.305 1.00 0.00 H new ATOM 1731 N GLY A 126 4.553 10.701 -1.789 1.00 0.00 N ATOM 1732 CA GLY A 126 4.907 12.082 -1.543 1.00 0.00 C ATOM 1733 C GLY A 126 5.651 12.307 -0.240 1.00 0.00 C ATOM 1734 O GLY A 126 6.755 12.858 -0.237 1.00 0.00 O ATOM 0 H GLY A 126 3.612 10.441 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 126 5.523 12.441 -2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.998 12.684 -1.539 1.00 0.00 H new ATOM 1738 N LEU A 127 5.062 11.883 0.867 1.00 0.00 N ATOM 1739 CA LEU A 127 5.644 12.128 2.169 1.00 0.00 C ATOM 1740 C LEU A 127 6.340 10.889 2.720 1.00 0.00 C ATOM 1741 O LEU A 127 7.288 10.994 3.497 1.00 0.00 O ATOM 1742 CB LEU A 127 4.544 12.580 3.134 1.00 0.00 C ATOM 1743 CG LEU A 127 4.914 12.582 4.615 1.00 0.00 C ATOM 1744 CD1 LEU A 127 5.954 13.655 4.922 1.00 0.00 C ATOM 1745 CD2 LEU A 127 3.675 12.760 5.479 1.00 0.00 C ATOM 0 H LEU A 127 4.182 11.368 0.886 1.00 0.00 H new ATOM 0 HA LEU A 127 6.398 12.908 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.235 13.588 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 127 3.679 11.932 2.997 1.00 0.00 H new ATOM 0 HG LEU A 127 5.357 11.615 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 127 6.198 13.632 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.855 13.466 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 127 5.553 14.635 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 127 3.962 12.759 6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 127 3.194 13.707 5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 127 2.980 11.942 5.291 1.00 0.00 H new ATOM 1757 N GLY A 128 5.907 9.728 2.292 1.00 0.00 N ATOM 1758 CA GLY A 128 6.479 8.509 2.811 1.00 0.00 C ATOM 1759 C GLY A 128 5.803 8.113 4.098 1.00 0.00 C ATOM 1760 O GLY A 128 6.363 8.257 5.182 1.00 0.00 O ATOM 0 H GLY A 128 5.172 9.601 1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 128 6.373 7.710 2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 128 7.547 8.646 2.982 1.00 0.00 H new ATOM 1764 N ILE A 129 4.587 7.630 3.973 1.00 0.00 N ATOM 1765 CA ILE A 129 3.772 7.265 5.116 1.00 0.00 C ATOM 1766 C ILE A 129 4.318 6.051 5.854 1.00 0.00 C ATOM 1767 O ILE A 129 4.795 5.088 5.253 1.00 0.00 O ATOM 1768 CB ILE A 129 2.282 7.027 4.695 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.451 8.307 4.849 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.635 5.887 5.476 1.00 0.00 C ATOM 1771 CD1 ILE A 129 2.033 9.519 4.175 1.00 0.00 C ATOM 0 H ILE A 129 4.131 7.478 3.073 1.00 0.00 H new ATOM 0 HA ILE A 129 3.809 8.108 5.806 1.00 0.00 H new ATOM 0 HB ILE A 129 2.299 6.741 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 129 0.454 8.128 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 129 1.332 8.521 5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.603 5.761 5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 129 2.187 4.964 5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 129 1.652 6.120 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 129 1.378 10.375 4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 129 3.017 9.730 4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 129 2.126 9.331 3.105 1.00 0.00 H new ATOM 1783 N ASN A 130 4.248 6.132 7.160 1.00 0.00 N ATOM 1784 CA ASN A 130 4.636 5.053 8.042 1.00 0.00 C ATOM 1785 C ASN A 130 3.526 4.834 9.049 1.00 0.00 C ATOM 1786 O ASN A 130 3.012 5.789 9.625 1.00 0.00 O ATOM 1787 CB ASN A 130 5.963 5.357 8.761 1.00 0.00 C ATOM 1788 CG ASN A 130 7.180 5.194 7.860 1.00 0.00 C ATOM 1789 OD1 ASN A 130 7.732 4.099 7.734 1.00 0.00 O ATOM 1790 ND2 ASN A 130 7.613 6.274 7.235 1.00 0.00 N ATOM 0 H ASN A 130 3.915 6.962 7.650 1.00 0.00 H new ATOM 0 HA ASN A 130 4.793 4.150 7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 130 5.936 6.377 9.145 1.00 0.00 H new ATOM 0 HB3 ASN A 130 6.064 4.695 9.621 1.00 0.00 H new ATOM 0 HD21 ASN A 130 8.429 6.218 6.625 1.00 0.00 H new ATOM 0 HD22 ASN A 130 7.132 7.164 7.362 1.00 0.00 H new ATOM 1797 N VAL A 131 3.129 3.592 9.231 1.00 0.00 N ATOM 1798 CA VAL A 131 2.042 3.270 10.128 1.00 0.00 C ATOM 1799 C VAL A 131 2.544 3.022 11.533 1.00 0.00 C ATOM 1800 O VAL A 131 3.344 2.111 11.772 1.00 0.00 O ATOM 1801 CB VAL A 131 1.277 2.031 9.662 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.032 1.811 10.508 1.00 0.00 C ATOM 1803 CG2 VAL A 131 0.932 2.130 8.191 1.00 0.00 C ATOM 0 H VAL A 131 3.546 2.786 8.766 1.00 0.00 H new ATOM 0 HA VAL A 131 1.374 4.131 10.124 1.00 0.00 H new ATOM 0 HB VAL A 131 1.924 1.164 9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.495 0.924 10.157 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.320 1.673 11.550 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.623 2.678 10.424 1.00 0.00 H new ATOM 0 HG21 VAL A 131 0.388 1.237 7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.311 3.009 8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.849 2.215 7.607 1.00 0.00 H new ATOM 1813 N ASP A 132 2.055 3.810 12.451 1.00 0.00 N ATOM 1814 CA ASP A 132 2.431 3.694 13.845 1.00 0.00 C ATOM 1815 C ASP A 132 1.371 2.966 14.631 1.00 0.00 C ATOM 1816 O ASP A 132 0.938 3.421 15.690 1.00 0.00 O ATOM 1817 CB ASP A 132 2.689 5.058 14.466 1.00 0.00 C ATOM 1818 CG ASP A 132 3.963 5.686 13.969 1.00 0.00 C ATOM 1819 OD1 ASP A 132 5.052 5.206 14.352 1.00 0.00 O ATOM 1820 OD2 ASP A 132 3.890 6.664 13.190 1.00 0.00 O ATOM 0 H ASP A 132 1.383 4.553 12.260 1.00 0.00 H new ATOM 0 HA ASP A 132 3.356 3.118 13.883 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.851 5.719 14.244 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.737 4.957 15.550 1.00 0.00 H new ATOM 1825 N SER A 133 0.958 1.829 14.120 1.00 0.00 N ATOM 1826 CA SER A 133 -0.021 1.006 14.795 1.00 0.00 C ATOM 1827 C SER A 133 0.653 0.203 15.899 1.00 0.00 C ATOM 1828 O SER A 133 0.017 -0.582 16.594 1.00 0.00 O ATOM 1829 CB SER A 133 -0.686 0.072 13.793 1.00 0.00 C ATOM 1830 OG SER A 133 0.290 -0.652 13.049 1.00 0.00 O ATOM 0 H SER A 133 1.287 1.450 13.232 1.00 0.00 H new ATOM 0 HA SER A 133 -0.784 1.644 15.241 1.00 0.00 H new ATOM 0 HB2 SER A 133 -1.340 -0.625 14.317 1.00 0.00 H new ATOM 0 HB3 SER A 133 -1.314 0.648 13.113 1.00 0.00 H new ATOM 0 HG SER A 133 0.167 -1.613 13.196 1.00 0.00 H new ATOM 1836 N GLY A 134 1.957 0.403 16.037 1.00 0.00 N ATOM 1837 CA GLY A 134 2.712 -0.301 17.032 1.00 0.00 C ATOM 1838 C GLY A 134 3.338 -1.553 16.480 1.00 0.00 C ATOM 1839 O GLY A 134 4.368 -2.011 16.969 1.00 0.00 O ATOM 0 H GLY A 134 2.502 1.049 15.467 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.491 0.352 17.425 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.061 -0.559 17.867 1.00 0.00 H new ATOM 1843 N SER A 135 2.733 -2.093 15.443 1.00 0.00 N ATOM 1844 CA SER A 135 3.199 -3.340 14.865 1.00 0.00 C ATOM 1845 C SER A 135 3.926 -3.126 13.532 1.00 0.00 C ATOM 1846 O SER A 135 5.029 -3.636 13.340 1.00 0.00 O ATOM 1847 CB SER A 135 2.023 -4.288 14.675 1.00 0.00 C ATOM 1848 OG SER A 135 1.215 -4.327 15.842 1.00 0.00 O ATOM 0 H SER A 135 1.918 -1.690 14.982 1.00 0.00 H new ATOM 0 HA SER A 135 3.919 -3.777 15.557 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.424 -3.966 13.823 1.00 0.00 H new ATOM 0 HB3 SER A 135 2.390 -5.289 14.447 1.00 0.00 H new ATOM 0 HG SER A 135 0.464 -4.940 15.699 1.00 0.00 H new ATOM 1854 N VAL A 136 3.307 -2.356 12.624 1.00 0.00 N ATOM 1855 CA VAL A 136 3.859 -2.142 11.273 1.00 0.00 C ATOM 1856 C VAL A 136 5.311 -1.662 11.305 1.00 0.00 C ATOM 1857 O VAL A 136 6.205 -2.360 10.827 1.00 0.00 O ATOM 1858 CB VAL A 136 3.000 -1.147 10.446 1.00 0.00 C ATOM 1859 CG1 VAL A 136 3.628 -0.896 9.074 1.00 0.00 C ATOM 1860 CG2 VAL A 136 1.585 -1.679 10.285 1.00 0.00 C ATOM 0 H VAL A 136 2.426 -1.871 12.798 1.00 0.00 H new ATOM 0 HA VAL A 136 3.833 -3.117 10.786 1.00 0.00 H new ATOM 0 HB VAL A 136 2.962 -0.200 10.985 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.009 -0.196 8.513 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.626 -0.476 9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 136 3.698 -1.837 8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.994 -0.971 9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.614 -2.639 9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.131 -1.809 11.267 1.00 0.00 H new ATOM 1870 N GLN A 137 5.541 -0.485 11.884 1.00 0.00 N ATOM 1871 CA GLN A 137 6.884 0.083 11.955 1.00 0.00 C ATOM 1872 C GLN A 137 7.856 -0.862 12.661 1.00 0.00 C ATOM 1873 O GLN A 137 8.969 -1.075 12.191 1.00 0.00 O ATOM 1874 CB GLN A 137 6.847 1.459 12.644 1.00 0.00 C ATOM 1875 CG GLN A 137 8.216 2.118 12.829 1.00 0.00 C ATOM 1876 CD GLN A 137 8.901 1.734 14.138 1.00 0.00 C ATOM 1877 OE1 GLN A 137 8.123 1.545 15.191 1.00 0.00 O flip ATOM 1878 NE2 GLN A 137 10.124 1.637 14.204 1.00 0.00 N flip ATOM 0 H GLN A 137 4.816 0.092 12.310 1.00 0.00 H new ATOM 0 HA GLN A 137 7.248 0.217 10.937 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.214 2.126 12.059 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.377 1.348 13.621 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.861 1.840 11.995 1.00 0.00 H new ATOM 0 HG3 GLN A 137 8.098 3.201 12.793 1.00 0.00 H new ATOM 0 HE21 GLN A 137 10.693 1.789 13.372 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.570 1.404 15.091 1.00 0.00 H new ATOM 1887 N SER A 138 7.417 -1.441 13.768 1.00 0.00 N ATOM 1888 CA SER A 138 8.253 -2.341 14.551 1.00 0.00 C ATOM 1889 C SER A 138 8.731 -3.538 13.725 1.00 0.00 C ATOM 1890 O SER A 138 9.915 -3.885 13.748 1.00 0.00 O ATOM 1891 CB SER A 138 7.488 -2.821 15.783 1.00 0.00 C ATOM 1892 OG SER A 138 7.058 -1.717 16.569 1.00 0.00 O ATOM 0 H SER A 138 6.480 -1.303 14.147 1.00 0.00 H new ATOM 0 HA SER A 138 9.137 -1.786 14.865 1.00 0.00 H new ATOM 0 HB2 SER A 138 6.626 -3.412 15.474 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.124 -3.474 16.381 1.00 0.00 H new ATOM 0 HG SER A 138 6.112 -1.828 16.799 1.00 0.00 H new ATOM 1898 N ASP A 139 7.819 -4.145 12.978 1.00 0.00 N ATOM 1899 CA ASP A 139 8.145 -5.326 12.191 1.00 0.00 C ATOM 1900 C ASP A 139 9.071 -4.986 11.033 1.00 0.00 C ATOM 1901 O ASP A 139 10.140 -5.587 10.882 1.00 0.00 O ATOM 1902 CB ASP A 139 6.873 -5.987 11.650 1.00 0.00 C ATOM 1903 CG ASP A 139 7.136 -7.372 11.096 1.00 0.00 C ATOM 1904 OD1 ASP A 139 7.678 -7.481 9.982 1.00 0.00 O ATOM 1905 OD2 ASP A 139 6.796 -8.367 11.786 1.00 0.00 O ATOM 0 H ASP A 139 6.849 -3.840 12.901 1.00 0.00 H new ATOM 0 HA ASP A 139 8.659 -6.022 12.854 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.133 -6.052 12.447 1.00 0.00 H new ATOM 0 HB3 ASP A 139 6.445 -5.360 10.868 1.00 0.00 H new ATOM 1910 N ILE A 140 8.675 -4.009 10.229 1.00 0.00 N ATOM 1911 CA ILE A 140 9.441 -3.648 9.046 1.00 0.00 C ATOM 1912 C ILE A 140 10.819 -3.084 9.392 1.00 0.00 C ATOM 1913 O ILE A 140 11.810 -3.440 8.755 1.00 0.00 O ATOM 1914 CB ILE A 140 8.686 -2.653 8.128 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.387 -1.344 8.867 1.00 0.00 C ATOM 1916 CG2 ILE A 140 7.400 -3.285 7.606 1.00 0.00 C ATOM 1917 CD1 ILE A 140 7.768 -0.279 7.996 1.00 0.00 C ATOM 0 H ILE A 140 7.831 -3.455 10.374 1.00 0.00 H new ATOM 0 HA ILE A 140 9.578 -4.581 8.499 1.00 0.00 H new ATOM 0 HB ILE A 140 9.326 -2.418 7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 140 7.716 -1.553 9.700 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.313 -0.959 9.293 1.00 0.00 H new ATOM 0 HG21 ILE A 140 6.880 -2.575 6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 140 7.641 -4.182 7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 140 6.758 -3.551 8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.586 0.617 8.590 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.446 -0.039 7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 140 6.824 -0.644 7.591 1.00 0.00 H new ATOM 1929 N SER A 141 10.889 -2.230 10.412 1.00 0.00 N ATOM 1930 CA SER A 141 12.146 -1.606 10.792 1.00 0.00 C ATOM 1931 C SER A 141 13.139 -2.638 11.323 1.00 0.00 C ATOM 1932 O SER A 141 14.336 -2.573 11.031 1.00 0.00 O ATOM 1933 CB SER A 141 11.918 -0.502 11.830 1.00 0.00 C ATOM 1934 OG SER A 141 13.117 0.205 12.092 1.00 0.00 O ATOM 0 H SER A 141 10.091 -1.958 10.986 1.00 0.00 H new ATOM 0 HA SER A 141 12.572 -1.155 9.896 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.156 0.189 11.470 1.00 0.00 H new ATOM 0 HB3 SER A 141 11.540 -0.939 12.754 1.00 0.00 H new ATOM 0 HG SER A 141 12.946 0.905 12.756 1.00 0.00 H new ATOM 1940 N SER A 142 12.645 -3.594 12.094 1.00 0.00 N ATOM 1941 CA SER A 142 13.502 -4.617 12.648 1.00 0.00 C ATOM 1942 C SER A 142 13.938 -5.588 11.554 1.00 0.00 C ATOM 1943 O SER A 142 15.119 -5.921 11.438 1.00 0.00 O ATOM 1944 CB SER A 142 12.789 -5.365 13.780 1.00 0.00 C ATOM 1945 OG SER A 142 13.704 -6.146 14.529 1.00 0.00 O ATOM 0 H SER A 142 11.660 -3.679 12.346 1.00 0.00 H new ATOM 0 HA SER A 142 14.389 -4.139 13.063 1.00 0.00 H new ATOM 0 HB2 SER A 142 12.293 -4.650 14.437 1.00 0.00 H new ATOM 0 HB3 SER A 142 12.013 -6.007 13.364 1.00 0.00 H new ATOM 0 HG SER A 142 13.226 -6.612 15.246 1.00 0.00 H new ATOM 1951 N SER A 143 12.986 -6.009 10.733 1.00 0.00 N ATOM 1952 CA SER A 143 13.264 -6.939 9.656 1.00 0.00 C ATOM 1953 C SER A 143 14.280 -6.370 8.666 1.00 0.00 C ATOM 1954 O SER A 143 15.265 -7.023 8.349 1.00 0.00 O ATOM 1955 CB SER A 143 11.973 -7.320 8.937 1.00 0.00 C ATOM 1956 OG SER A 143 11.081 -7.977 9.821 1.00 0.00 O ATOM 0 H SER A 143 12.011 -5.717 10.796 1.00 0.00 H new ATOM 0 HA SER A 143 13.701 -7.835 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 143 11.499 -6.426 8.533 1.00 0.00 H new ATOM 0 HB3 SER A 143 12.200 -7.970 8.092 1.00 0.00 H new ATOM 0 HG SER A 143 10.594 -7.311 10.349 1.00 0.00 H new ATOM 1962 N SER A 144 14.061 -5.137 8.212 1.00 0.00 N ATOM 1963 CA SER A 144 14.951 -4.513 7.231 1.00 0.00 C ATOM 1964 C SER A 144 16.382 -4.373 7.761 1.00 0.00 C ATOM 1965 O SER A 144 17.327 -4.271 6.985 1.00 0.00 O ATOM 1966 CB SER A 144 14.401 -3.155 6.790 1.00 0.00 C ATOM 1967 OG SER A 144 14.061 -2.358 7.908 1.00 0.00 O ATOM 0 H SER A 144 13.279 -4.552 8.505 1.00 0.00 H new ATOM 0 HA SER A 144 14.991 -5.172 6.364 1.00 0.00 H new ATOM 0 HB2 SER A 144 15.144 -2.638 6.183 1.00 0.00 H new ATOM 0 HB3 SER A 144 13.522 -3.301 6.162 1.00 0.00 H new ATOM 0 HG SER A 144 13.095 -2.409 8.065 1.00 0.00 H new