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 130 ASN : amide:sc= 0.00447 K(o=0.0075,f=-1.8) USER MOD Set 1.2: A 133 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 137 GLN :FLIP amide:sc= 0.00304 F(o=-3.2!,f=0.0075) USER MOD Set 2.1: A 23 ASN : amide:sc= 1.88 K(o=4.4,f=-0.74) USER MOD Set 2.2: A 30 THR OG1 : rot 100:sc= 1.21 USER MOD Set 2.3: A 92 SER OG : rot 120:sc= 1.35 USER MOD Set 3.1: A 64 ASN : amide:sc= -2.06! C(o=-2.6!,f=-12!) USER MOD Set 3.2: A 65 ASN :FLIP amide:sc= -0.551 F(o=-4.4!,f=-2.6) USER MOD Set 4.1: A 41 GLN : amide:sc= 0.047 K(o=-0.0055,f=-2) USER MOD Set 4.2: A 49 GLN : amide:sc= -0.0525 K(o=-0.0055,f=-0.89) USER MOD Set 5.1: A 29 SER OG : rot 180:sc= 0.896 USER MOD Set 5.2: A 143 SER OG : rot 127:sc= 1.25 USER MOD Set 6.1: A 14 SER OG : rot 180:sc= -0.366 USER MOD Set 6.2: A 104 ASN :FLIP amide:sc= -0.315 F(o=-2.4!,f=-0.68) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00949 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0029 USER MOD Single : A 40 SER OG : rot 45:sc= 0.627 USER MOD Single : A 42 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.71) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00273 USER MOD Single : A 46 SER OG : rot 100:sc= -0.0827 USER MOD Single : A 53 GLN : amide:sc= -4.01! C(o=-4!,f=-4.5!) 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 72 GLN :FLIP amide:sc= -0.563 F(o=-3.2!,f=-0.56) USER MOD Single : A 75 SER OG : rot -81:sc= 1.21 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.843 USER MOD Single : A 88 GLN : amide:sc= -0.568 K(o=-0.57,f=-1.8) USER MOD Single : A 91 SER OG : rot -97:sc= 0.405 USER MOD Single : A 96 ASN : amide:sc= -3.98! C(o=-4!,f=-11!) USER MOD Single : A 101 ASN :FLIP amide:sc= -1.39 F(o=-2.9!,f=-1.4) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0857 USER MOD Single : A 114 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 118 ASN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : A 121 SER OG : rot 75:sc= 1.29 USER MOD Single : A 122 SER OG : rot 180:sc= 0.0324 USER MOD Single : A 125 GLN : amide:sc= -0.116 K(o=-0.12,f=-1) USER MOD Single : A 135 SER OG : rot -20:sc= 0.91 USER MOD Single : A 138 SER OG : rot 134:sc= 1.06 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 87:sc= 0.731 USER MOD Single : A 144 SER OG : rot -79:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.907 -5.614 -14.688 1.00 0.00 N ATOM 124 CA GLY A 12 -2.361 -6.896 -15.104 1.00 0.00 C ATOM 125 C GLY A 12 -0.845 -6.907 -15.206 1.00 0.00 C ATOM 126 O GLY A 12 -0.187 -7.786 -14.646 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.675 -7.662 -14.395 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.784 -7.165 -16.072 1.00 0.00 H new ATOM 130 N ALA A 13 -0.287 -5.933 -15.915 1.00 0.00 N ATOM 131 CA ALA A 13 1.163 -5.857 -16.115 1.00 0.00 C ATOM 132 C ALA A 13 1.914 -5.690 -14.794 1.00 0.00 C ATOM 133 O ALA A 13 2.892 -6.396 -14.531 1.00 0.00 O ATOM 134 CB ALA A 13 1.507 -4.720 -17.064 1.00 0.00 C ATOM 0 H ALA A 13 -0.813 -5.183 -16.363 1.00 0.00 H new ATOM 0 HA ALA A 13 1.482 -6.801 -16.556 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.587 -4.676 -17.203 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.024 -4.891 -18.026 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.156 -3.777 -16.644 1.00 0.00 H new ATOM 140 N SER A 14 1.443 -4.772 -13.958 1.00 0.00 N ATOM 141 CA SER A 14 2.093 -4.490 -12.686 1.00 0.00 C ATOM 142 C SER A 14 2.085 -5.706 -11.752 1.00 0.00 C ATOM 143 O SER A 14 2.947 -5.829 -10.887 1.00 0.00 O ATOM 144 CB SER A 14 1.435 -3.293 -12.004 1.00 0.00 C ATOM 145 OG SER A 14 1.564 -2.126 -12.799 1.00 0.00 O ATOM 0 H SER A 14 0.612 -4.210 -14.140 1.00 0.00 H new ATOM 0 HA SER A 14 3.134 -4.251 -12.901 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.380 -3.504 -11.828 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.894 -3.127 -11.029 1.00 0.00 H new ATOM 0 HG SER A 14 1.135 -1.371 -12.344 1.00 0.00 H new ATOM 151 N ALA A 15 1.129 -6.607 -11.947 1.00 0.00 N ATOM 152 CA ALA A 15 1.012 -7.795 -11.108 1.00 0.00 C ATOM 153 C ALA A 15 2.205 -8.740 -11.289 1.00 0.00 C ATOM 154 O ALA A 15 2.463 -9.588 -10.447 1.00 0.00 O ATOM 155 CB ALA A 15 -0.292 -8.525 -11.401 1.00 0.00 C ATOM 0 H ALA A 15 0.423 -6.538 -12.680 1.00 0.00 H new ATOM 0 HA ALA A 15 1.009 -7.465 -10.069 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.365 -9.409 -10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.133 -7.863 -11.198 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.313 -8.827 -12.448 1.00 0.00 H new ATOM 161 N GLY A 16 2.918 -8.594 -12.393 1.00 0.00 N ATOM 162 CA GLY A 16 4.065 -9.446 -12.641 1.00 0.00 C ATOM 163 C GLY A 16 5.357 -8.893 -12.068 1.00 0.00 C ATOM 164 O GLY A 16 6.234 -9.646 -11.650 1.00 0.00 O ATOM 0 H GLY A 16 2.726 -7.905 -13.120 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.877 -10.430 -12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.182 -9.583 -13.716 1.00 0.00 H new ATOM 168 N LEU A 17 5.473 -7.586 -12.056 1.00 0.00 N ATOM 169 CA LEU A 17 6.688 -6.921 -11.596 1.00 0.00 C ATOM 170 C LEU A 17 6.733 -6.733 -10.068 1.00 0.00 C ATOM 171 O LEU A 17 7.803 -6.512 -9.502 1.00 0.00 O ATOM 172 CB LEU A 17 6.890 -5.591 -12.347 1.00 0.00 C ATOM 173 CG LEU A 17 5.691 -4.618 -12.383 1.00 0.00 C ATOM 174 CD1 LEU A 17 5.490 -3.912 -11.044 1.00 0.00 C ATOM 175 CD2 LEU A 17 5.864 -3.601 -13.498 1.00 0.00 C ATOM 0 H LEU A 17 4.737 -6.949 -12.361 1.00 0.00 H new ATOM 0 HA LEU A 17 7.524 -7.580 -11.832 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.735 -5.071 -11.895 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.171 -5.821 -13.375 1.00 0.00 H new ATOM 0 HG LEU A 17 4.797 -5.210 -12.579 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.637 -3.237 -11.113 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.305 -4.653 -10.266 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.385 -3.341 -10.796 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.010 -2.924 -13.508 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.778 -3.030 -13.331 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.929 -4.118 -14.455 1.00 0.00 H new ATOM 187 N ILE A 18 5.556 -6.813 -9.434 1.00 0.00 N ATOM 188 CA ILE A 18 5.365 -6.584 -7.976 1.00 0.00 C ATOM 189 C ILE A 18 6.568 -6.961 -7.074 1.00 0.00 C ATOM 190 O ILE A 18 7.071 -6.122 -6.334 1.00 0.00 O ATOM 191 CB ILE A 18 4.103 -7.314 -7.445 1.00 0.00 C ATOM 192 CG1 ILE A 18 4.086 -8.786 -7.892 1.00 0.00 C ATOM 193 CG2 ILE A 18 2.840 -6.595 -7.891 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.942 -9.590 -7.316 1.00 0.00 C ATOM 0 H ILE A 18 4.688 -7.042 -9.919 1.00 0.00 H new ATOM 0 HA ILE A 18 5.251 -5.502 -7.907 1.00 0.00 H new ATOM 0 HB ILE A 18 4.137 -7.298 -6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.032 -8.824 -8.980 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.027 -9.254 -7.603 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.966 -7.123 -7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.846 -5.576 -7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.801 -6.570 -8.980 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.000 -10.616 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.005 -9.585 -6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.995 -9.149 -7.626 1.00 0.00 H new ATOM 206 N SER A 19 7.019 -8.191 -7.146 1.00 0.00 N ATOM 207 CA SER A 19 8.054 -8.669 -6.244 1.00 0.00 C ATOM 208 C SER A 19 9.468 -8.332 -6.722 1.00 0.00 C ATOM 209 O SER A 19 10.404 -8.319 -5.932 1.00 0.00 O ATOM 210 CB SER A 19 7.904 -10.174 -6.047 1.00 0.00 C ATOM 211 OG SER A 19 6.581 -10.497 -5.641 1.00 0.00 O ATOM 0 H SER A 19 6.689 -8.883 -7.818 1.00 0.00 H new ATOM 0 HA SER A 19 7.920 -8.152 -5.294 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.142 -10.693 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.615 -10.520 -5.297 1.00 0.00 H new ATOM 0 HG SER A 19 6.503 -11.467 -5.521 1.00 0.00 H new ATOM 217 N ARG A 20 9.619 -8.050 -8.001 1.00 0.00 N ATOM 218 CA ARG A 20 10.931 -7.829 -8.575 1.00 0.00 C ATOM 219 C ARG A 20 11.410 -6.393 -8.445 1.00 0.00 C ATOM 220 O ARG A 20 12.539 -6.164 -8.077 1.00 0.00 O ATOM 221 CB ARG A 20 10.942 -8.240 -10.045 1.00 0.00 C ATOM 222 CG ARG A 20 10.670 -9.711 -10.266 1.00 0.00 C ATOM 223 CD ARG A 20 10.690 -10.065 -11.738 1.00 0.00 C ATOM 224 NE ARG A 20 10.503 -11.502 -11.948 1.00 0.00 N ATOM 225 CZ ARG A 20 10.910 -12.168 -13.033 1.00 0.00 C ATOM 226 NH1 ARG A 20 11.525 -11.523 -14.025 1.00 0.00 N ATOM 227 NH2 ARG A 20 10.691 -13.477 -13.127 1.00 0.00 N ATOM 0 H ARG A 20 8.848 -7.968 -8.663 1.00 0.00 H new ATOM 0 HA ARG A 20 11.622 -8.449 -8.004 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.194 -7.656 -10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.911 -7.990 -10.476 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.417 -10.303 -9.738 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.700 -9.970 -9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.904 -9.515 -12.256 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.638 -9.753 -12.175 1.00 0.00 H new ATOM 0 HE ARG A 20 10.030 -12.031 -11.216 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.686 -10.518 -13.957 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.834 -12.035 -14.851 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.214 -13.970 -12.372 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.000 -13.988 -13.954 1.00 0.00 H new ATOM 241 N VAL A 21 10.534 -5.440 -8.729 1.00 0.00 N ATOM 242 CA VAL A 21 10.931 -4.024 -8.828 1.00 0.00 C ATOM 243 C VAL A 21 11.569 -3.427 -7.544 1.00 0.00 C ATOM 244 O VAL A 21 12.762 -3.580 -7.304 1.00 0.00 O ATOM 245 CB VAL A 21 9.763 -3.125 -9.303 1.00 0.00 C ATOM 246 CG1 VAL A 21 10.255 -1.735 -9.634 1.00 0.00 C ATOM 247 CG2 VAL A 21 9.076 -3.725 -10.503 1.00 0.00 C ATOM 0 H VAL A 21 9.542 -5.611 -8.896 1.00 0.00 H new ATOM 0 HA VAL A 21 11.718 -4.029 -9.582 1.00 0.00 H new ATOM 0 HB VAL A 21 9.044 -3.057 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.417 -1.122 -9.965 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.704 -1.287 -8.747 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.999 -1.792 -10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.259 -3.075 -10.818 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.792 -3.828 -11.318 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.679 -4.706 -10.242 1.00 0.00 H new ATOM 257 N ALA A 22 10.769 -2.738 -6.747 1.00 0.00 N ATOM 258 CA ALA A 22 11.283 -2.022 -5.587 1.00 0.00 C ATOM 259 C ALA A 22 11.546 -2.923 -4.389 1.00 0.00 C ATOM 260 O ALA A 22 12.615 -2.866 -3.784 1.00 0.00 O ATOM 261 CB ALA A 22 10.330 -0.902 -5.205 1.00 0.00 C ATOM 0 H ALA A 22 9.761 -2.658 -6.880 1.00 0.00 H new ATOM 0 HA ALA A 22 12.249 -1.608 -5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.721 -0.372 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.231 -0.208 -6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.353 -1.322 -4.964 1.00 0.00 H new ATOM 267 N ASN A 23 10.579 -3.751 -4.056 1.00 0.00 N ATOM 268 CA ASN A 23 10.660 -4.572 -2.856 1.00 0.00 C ATOM 269 C ASN A 23 11.774 -5.619 -2.890 1.00 0.00 C ATOM 270 O ASN A 23 12.268 -6.020 -1.843 1.00 0.00 O ATOM 271 CB ASN A 23 9.296 -5.180 -2.508 1.00 0.00 C ATOM 272 CG ASN A 23 8.503 -4.265 -1.580 1.00 0.00 C ATOM 273 OD1 ASN A 23 8.547 -4.407 -0.360 1.00 0.00 O ATOM 274 ND2 ASN A 23 7.794 -3.301 -2.154 1.00 0.00 N ATOM 0 H ASN A 23 9.724 -3.877 -4.597 1.00 0.00 H new ATOM 0 HA ASN A 23 10.943 -3.897 -2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.729 -5.354 -3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.438 -6.150 -2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.262 -2.648 -1.579 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.781 -3.213 -3.170 1.00 0.00 H new ATOM 281 N ALA A 24 12.195 -6.043 -4.077 1.00 0.00 N ATOM 282 CA ALA A 24 13.294 -7.008 -4.167 1.00 0.00 C ATOM 283 C ALA A 24 14.597 -6.370 -3.710 1.00 0.00 C ATOM 284 O ALA A 24 15.401 -6.997 -3.022 1.00 0.00 O ATOM 285 CB ALA A 24 13.436 -7.548 -5.575 1.00 0.00 C ATOM 0 H ALA A 24 11.806 -5.745 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 24 13.062 -7.845 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.259 -8.261 -5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.512 -8.046 -5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.639 -6.726 -6.261 1.00 0.00 H new ATOM 291 N LEU A 25 14.790 -5.106 -4.089 1.00 0.00 N ATOM 292 CA LEU A 25 15.974 -4.356 -3.691 1.00 0.00 C ATOM 293 C LEU A 25 15.895 -4.009 -2.210 1.00 0.00 C ATOM 294 O LEU A 25 16.909 -3.953 -1.517 1.00 0.00 O ATOM 295 CB LEU A 25 16.105 -3.076 -4.527 1.00 0.00 C ATOM 296 CG LEU A 25 17.315 -2.188 -4.209 1.00 0.00 C ATOM 297 CD1 LEU A 25 18.619 -2.919 -4.506 1.00 0.00 C ATOM 298 CD2 LEU A 25 17.240 -0.885 -4.995 1.00 0.00 C ATOM 0 H LEU A 25 14.138 -4.582 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 25 16.854 -4.974 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.151 -3.356 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.199 -2.484 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 25 17.295 -1.952 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.462 -2.269 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.677 -3.821 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.652 -3.191 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.106 -0.267 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.232 -1.104 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.328 -0.351 -4.728 1.00 0.00 H new ATOM 310 N ALA A 26 14.674 -3.772 -1.736 1.00 0.00 N ATOM 311 CA ALA A 26 14.448 -3.479 -0.333 1.00 0.00 C ATOM 312 C ALA A 26 14.805 -4.690 0.512 1.00 0.00 C ATOM 313 O ALA A 26 15.537 -4.577 1.489 1.00 0.00 O ATOM 314 CB ALA A 26 12.999 -3.072 -0.100 1.00 0.00 C ATOM 0 H ALA A 26 13.829 -3.778 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 26 15.086 -2.646 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.847 -2.856 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 26 12.772 -2.183 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.339 -3.885 -0.402 1.00 0.00 H new ATOM 320 N ASN A 27 14.272 -5.852 0.111 1.00 0.00 N ATOM 321 CA ASN A 27 14.542 -7.143 0.763 1.00 0.00 C ATOM 322 C ASN A 27 14.014 -7.181 2.213 1.00 0.00 C ATOM 323 O ASN A 27 14.255 -8.133 2.951 1.00 0.00 O ATOM 324 CB ASN A 27 16.046 -7.436 0.706 1.00 0.00 C ATOM 325 CG ASN A 27 16.377 -8.918 0.739 1.00 0.00 C ATOM 326 OD1 ASN A 27 16.611 -9.502 1.799 1.00 0.00 O ATOM 327 ND2 ASN A 27 16.411 -9.534 -0.430 1.00 0.00 N ATOM 0 H ASN A 27 13.635 -5.924 -0.682 1.00 0.00 H new ATOM 0 HA ASN A 27 14.006 -7.923 0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.459 -7.000 -0.204 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.536 -6.944 1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.637 -10.528 -0.477 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.211 -9.016 -1.286 1.00 0.00 H new ATOM 334 N THR A 28 13.261 -6.152 2.587 1.00 0.00 N ATOM 335 CA THR A 28 12.695 -6.035 3.922 1.00 0.00 C ATOM 336 C THR A 28 11.537 -7.046 4.115 1.00 0.00 C ATOM 337 O THR A 28 11.124 -7.727 3.176 1.00 0.00 O ATOM 338 CB THR A 28 12.172 -4.586 4.144 1.00 0.00 C ATOM 339 OG1 THR A 28 13.057 -3.659 3.505 1.00 0.00 O ATOM 340 CG2 THR A 28 12.090 -4.236 5.632 1.00 0.00 C ATOM 0 H THR A 28 13.027 -5.375 1.970 1.00 0.00 H new ATOM 0 HA THR A 28 13.474 -6.257 4.652 1.00 0.00 H new ATOM 0 HB THR A 28 11.171 -4.525 3.718 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.729 -2.746 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.721 -3.217 5.746 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.410 -4.926 6.131 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.081 -4.315 6.080 1.00 0.00 H new ATOM 348 N SER A 29 11.031 -7.146 5.332 1.00 0.00 N ATOM 349 CA SER A 29 9.922 -8.038 5.639 1.00 0.00 C ATOM 350 C SER A 29 8.638 -7.650 4.882 1.00 0.00 C ATOM 351 O SER A 29 7.718 -8.456 4.779 1.00 0.00 O ATOM 352 CB SER A 29 9.664 -8.048 7.142 1.00 0.00 C ATOM 353 OG SER A 29 10.838 -8.410 7.849 1.00 0.00 O ATOM 0 H SER A 29 11.374 -6.615 6.133 1.00 0.00 H new ATOM 0 HA SER A 29 10.203 -9.038 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.328 -7.063 7.465 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.863 -8.750 7.374 1.00 0.00 H new ATOM 0 HG SER A 29 10.654 -8.409 8.811 1.00 0.00 H new ATOM 359 N THR A 30 8.611 -6.426 4.341 1.00 0.00 N ATOM 360 CA THR A 30 7.443 -5.860 3.633 1.00 0.00 C ATOM 361 C THR A 30 6.936 -6.746 2.486 1.00 0.00 C ATOM 362 O THR A 30 5.786 -6.628 2.061 1.00 0.00 O ATOM 363 CB THR A 30 7.785 -4.477 3.071 1.00 0.00 C ATOM 364 OG1 THR A 30 9.024 -4.549 2.349 1.00 0.00 O ATOM 365 CG2 THR A 30 7.922 -3.470 4.192 1.00 0.00 C ATOM 0 H THR A 30 9.406 -5.789 4.380 1.00 0.00 H new ATOM 0 HA THR A 30 6.646 -5.794 4.374 1.00 0.00 H new ATOM 0 HB THR A 30 6.982 -4.161 2.406 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.840 -4.612 1.389 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.165 -2.493 3.775 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.983 -3.407 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.717 -3.784 4.868 1.00 0.00 H new ATOM 373 N LEU A 31 7.795 -7.598 1.975 1.00 0.00 N ATOM 374 CA LEU A 31 7.412 -8.509 0.906 1.00 0.00 C ATOM 375 C LEU A 31 7.609 -9.959 1.346 1.00 0.00 C ATOM 376 O LEU A 31 7.003 -10.878 0.800 1.00 0.00 O ATOM 377 CB LEU A 31 8.236 -8.250 -0.367 1.00 0.00 C ATOM 378 CG LEU A 31 9.746 -8.515 -0.259 1.00 0.00 C ATOM 379 CD1 LEU A 31 10.322 -8.876 -1.619 1.00 0.00 C ATOM 380 CD2 LEU A 31 10.469 -7.301 0.309 1.00 0.00 C ATOM 0 H LEU A 31 8.765 -7.684 2.278 1.00 0.00 H new ATOM 0 HA LEU A 31 6.359 -8.333 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.835 -8.871 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.090 -7.212 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 31 9.894 -9.355 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.392 -9.060 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.831 -9.774 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.156 -8.053 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.536 -7.512 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.309 -6.443 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.080 -7.078 1.302 1.00 0.00 H new ATOM 392 N ARG A 32 8.464 -10.151 2.343 1.00 0.00 N ATOM 393 CA ARG A 32 8.824 -11.487 2.799 1.00 0.00 C ATOM 394 C ARG A 32 7.767 -12.118 3.722 1.00 0.00 C ATOM 395 O ARG A 32 7.515 -13.319 3.638 1.00 0.00 O ATOM 396 CB ARG A 32 10.195 -11.464 3.490 1.00 0.00 C ATOM 397 CG ARG A 32 10.707 -12.842 3.888 1.00 0.00 C ATOM 398 CD ARG A 32 12.091 -12.773 4.521 1.00 0.00 C ATOM 399 NE ARG A 32 13.111 -12.292 3.580 1.00 0.00 N ATOM 400 CZ ARG A 32 14.370 -12.755 3.535 1.00 0.00 C ATOM 401 NH1 ARG A 32 14.758 -13.721 4.361 1.00 0.00 N ATOM 402 NH2 ARG A 32 15.239 -12.249 2.667 1.00 0.00 N ATOM 0 H ARG A 32 8.922 -9.395 2.852 1.00 0.00 H new ATOM 0 HA ARG A 32 8.874 -12.116 1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.919 -10.996 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.132 -10.839 4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.009 -13.300 4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.742 -13.484 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.059 -12.113 5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.372 -13.762 4.884 1.00 0.00 H new ATOM 0 HE ARG A 32 12.846 -11.561 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.098 -14.113 5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.716 -14.070 4.323 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.951 -11.505 2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.195 -12.604 2.636 1.00 0.00 H new ATOM 416 N THR A 33 7.144 -11.321 4.592 1.00 0.00 N ATOM 417 CA THR A 33 6.187 -11.890 5.554 1.00 0.00 C ATOM 418 C THR A 33 5.293 -10.835 6.214 1.00 0.00 C ATOM 419 O THR A 33 4.189 -11.144 6.662 1.00 0.00 O ATOM 420 CB THR A 33 6.920 -12.701 6.645 1.00 0.00 C ATOM 421 OG1 THR A 33 5.978 -13.286 7.556 1.00 0.00 O ATOM 422 CG2 THR A 33 7.898 -11.830 7.417 1.00 0.00 C ATOM 0 H THR A 33 7.275 -10.311 4.655 1.00 0.00 H new ATOM 0 HA THR A 33 5.539 -12.548 4.976 1.00 0.00 H new ATOM 0 HB THR A 33 7.479 -13.492 6.145 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.459 -13.798 8.240 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.398 -12.430 8.177 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.640 -11.421 6.732 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.358 -11.013 7.896 1.00 0.00 H new ATOM 430 N VAL A 34 5.772 -9.618 6.294 1.00 0.00 N ATOM 431 CA VAL A 34 4.999 -8.531 6.881 1.00 0.00 C ATOM 432 C VAL A 34 4.365 -7.696 5.778 1.00 0.00 C ATOM 433 O VAL A 34 4.973 -7.479 4.744 1.00 0.00 O ATOM 434 CB VAL A 34 5.878 -7.630 7.791 1.00 0.00 C ATOM 435 CG1 VAL A 34 5.068 -6.480 8.379 1.00 0.00 C ATOM 436 CG2 VAL A 34 6.503 -8.456 8.901 1.00 0.00 C ATOM 0 H VAL A 34 6.697 -9.346 5.961 1.00 0.00 H new ATOM 0 HA VAL A 34 4.219 -8.970 7.503 1.00 0.00 H new ATOM 0 HB VAL A 34 6.671 -7.202 7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.711 -5.868 9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.665 -5.869 7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.248 -6.880 8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.117 -7.813 9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.716 -8.911 9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.125 -9.238 8.466 1.00 0.00 H new ATOM 446 N LEU A 35 3.139 -7.258 6.000 1.00 0.00 N ATOM 447 CA LEU A 35 2.396 -6.472 5.020 1.00 0.00 C ATOM 448 C LEU A 35 3.093 -5.149 4.674 1.00 0.00 C ATOM 449 O LEU A 35 3.974 -4.687 5.401 1.00 0.00 O ATOM 450 CB LEU A 35 0.967 -6.235 5.520 1.00 0.00 C ATOM 451 CG LEU A 35 0.819 -5.748 6.980 1.00 0.00 C ATOM 452 CD1 LEU A 35 1.182 -4.280 7.123 1.00 0.00 C ATOM 453 CD2 LEU A 35 -0.589 -6.005 7.492 1.00 0.00 C ATOM 0 H LEU A 35 2.626 -7.435 6.864 1.00 0.00 H new ATOM 0 HA LEU A 35 2.359 -7.045 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.494 -5.502 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.409 -7.165 5.412 1.00 0.00 H new ATOM 0 HG LEU A 35 1.520 -6.320 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.065 -3.976 8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.217 -4.129 6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.525 -3.680 6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.672 -5.655 8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.306 -5.471 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.800 -7.074 7.454 1.00 0.00 H new ATOM 465 N ARG A 36 2.682 -4.546 3.561 1.00 0.00 N ATOM 466 CA ARG A 36 3.276 -3.297 3.104 1.00 0.00 C ATOM 467 C ARG A 36 2.913 -2.139 4.023 1.00 0.00 C ATOM 468 O ARG A 36 1.783 -2.043 4.515 1.00 0.00 O ATOM 469 CB ARG A 36 2.844 -2.960 1.667 1.00 0.00 C ATOM 470 CG ARG A 36 1.340 -2.789 1.498 1.00 0.00 C ATOM 471 CD ARG A 36 1.005 -1.700 0.492 1.00 0.00 C ATOM 472 NE ARG A 36 1.446 -0.380 0.952 1.00 0.00 N ATOM 473 CZ ARG A 36 1.113 0.778 0.380 1.00 0.00 C ATOM 474 NH1 ARG A 36 0.250 0.801 -0.622 1.00 0.00 N ATOM 475 NH2 ARG A 36 1.625 1.912 0.838 1.00 0.00 N ATOM 0 H ARG A 36 1.940 -4.904 2.960 1.00 0.00 H new ATOM 0 HA ARG A 36 4.356 -3.440 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.341 -2.042 1.355 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.187 -3.751 1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.901 -3.732 1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.892 -2.545 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.478 -1.929 -0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.071 -1.684 0.319 1.00 0.00 H new ATOM 0 HE ARG A 36 2.053 -0.344 1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.163 -0.068 -0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.003 1.688 -1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.272 1.898 1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.372 2.799 0.402 1.00 0.00 H new ATOM 489 N THR A 37 3.866 -1.264 4.235 1.00 0.00 N ATOM 490 CA THR A 37 3.676 -0.092 5.051 1.00 0.00 C ATOM 491 C THR A 37 2.715 0.876 4.356 1.00 0.00 C ATOM 492 O THR A 37 2.924 1.252 3.195 1.00 0.00 O ATOM 493 CB THR A 37 5.026 0.613 5.288 1.00 0.00 C ATOM 494 OG1 THR A 37 6.034 -0.372 5.557 1.00 0.00 O ATOM 495 CG2 THR A 37 4.936 1.571 6.467 1.00 0.00 C ATOM 0 H THR A 37 4.803 -1.347 3.842 1.00 0.00 H new ATOM 0 HA THR A 37 3.256 -0.397 6.009 1.00 0.00 H new ATOM 0 HB THR A 37 5.283 1.182 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.894 0.073 5.707 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.900 2.057 6.615 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.176 2.326 6.265 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.667 1.017 7.366 1.00 0.00 H new ATOM 503 N GLY A 38 1.656 1.242 5.046 1.00 0.00 N ATOM 504 CA GLY A 38 0.698 2.169 4.497 1.00 0.00 C ATOM 505 C GLY A 38 -0.343 1.487 3.635 1.00 0.00 C ATOM 506 O GLY A 38 -0.844 2.081 2.671 1.00 0.00 O ATOM 0 H GLY A 38 1.440 0.911 5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.201 2.697 5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.222 2.918 3.903 1.00 0.00 H new ATOM 510 N VAL A 39 -0.646 0.226 3.958 1.00 0.00 N ATOM 511 CA VAL A 39 -1.668 -0.536 3.240 1.00 0.00 C ATOM 512 C VAL A 39 -3.008 0.230 3.235 1.00 0.00 C ATOM 513 O VAL A 39 -3.338 0.935 4.190 1.00 0.00 O ATOM 514 CB VAL A 39 -1.845 -1.959 3.849 1.00 0.00 C ATOM 515 CG1 VAL A 39 -2.400 -1.901 5.265 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.707 -2.844 2.956 1.00 0.00 C ATOM 0 H VAL A 39 -0.195 -0.289 4.715 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.336 -0.658 2.209 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.854 -2.409 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.509 -2.913 5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.716 -1.339 5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.373 -1.409 5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.810 -3.829 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.693 -2.393 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.236 -2.943 1.978 1.00 0.00 H new ATOM 526 N SER A 40 -3.756 0.098 2.154 1.00 0.00 N ATOM 527 CA SER A 40 -4.985 0.856 1.990 1.00 0.00 C ATOM 528 C SER A 40 -6.226 -0.008 2.216 1.00 0.00 C ATOM 529 O SER A 40 -6.150 -1.241 2.230 1.00 0.00 O ATOM 530 CB SER A 40 -5.019 1.493 0.598 1.00 0.00 C ATOM 531 OG SER A 40 -6.102 2.396 0.466 1.00 0.00 O ATOM 0 H SER A 40 -3.535 -0.526 1.378 1.00 0.00 H new ATOM 0 HA SER A 40 -4.999 1.640 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.082 2.018 0.414 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.101 0.712 -0.158 1.00 0.00 H new ATOM 0 HG SER A 40 -6.158 2.959 1.266 1.00 0.00 H new ATOM 537 N GLN A 41 -7.375 0.655 2.366 1.00 0.00 N ATOM 538 CA GLN A 41 -8.639 -0.021 2.622 1.00 0.00 C ATOM 539 C GLN A 41 -9.146 -0.720 1.381 1.00 0.00 C ATOM 540 O GLN A 41 -10.034 -1.566 1.459 1.00 0.00 O ATOM 541 CB GLN A 41 -9.675 0.961 3.172 1.00 0.00 C ATOM 542 CG GLN A 41 -11.053 0.363 3.420 1.00 0.00 C ATOM 543 CD GLN A 41 -12.027 1.362 4.006 1.00 0.00 C ATOM 544 OE1 GLN A 41 -11.642 2.258 4.751 1.00 0.00 O ATOM 545 NE2 GLN A 41 -13.288 1.223 3.664 1.00 0.00 N ATOM 0 H GLN A 41 -7.451 1.671 2.313 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.467 -0.786 3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.301 1.376 4.108 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.775 1.791 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.453 -0.020 2.481 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.959 -0.487 4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.567 0.464 3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.988 1.874 4.020 1.00 0.00 H new ATOM 554 N GLN A 42 -8.576 -0.374 0.232 1.00 0.00 N ATOM 555 CA GLN A 42 -8.915 -1.059 -1.003 1.00 0.00 C ATOM 556 C GLN A 42 -8.753 -2.553 -0.784 1.00 0.00 C ATOM 557 O GLN A 42 -9.643 -3.334 -1.082 1.00 0.00 O ATOM 558 CB GLN A 42 -8.023 -0.575 -2.151 1.00 0.00 C ATOM 559 CG GLN A 42 -8.193 0.904 -2.464 1.00 0.00 C ATOM 560 CD GLN A 42 -9.589 1.236 -2.960 1.00 0.00 C ATOM 561 OE1 GLN A 42 -10.242 0.417 -3.611 1.00 0.00 O ATOM 562 NE2 GLN A 42 -10.059 2.426 -2.647 1.00 0.00 N ATOM 0 H GLN A 42 -7.884 0.369 0.133 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.947 -0.839 -1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.981 -0.768 -1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.247 -1.156 -3.045 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.980 1.488 -1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.463 1.199 -3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.486 3.075 -2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.996 2.699 -2.945 1.00 0.00 H new ATOM 571 N ILE A 43 -7.612 -2.927 -0.223 1.00 0.00 N ATOM 572 CA ILE A 43 -7.351 -4.294 0.143 1.00 0.00 C ATOM 573 C ILE A 43 -7.908 -4.610 1.550 1.00 0.00 C ATOM 574 O ILE A 43 -8.601 -5.614 1.739 1.00 0.00 O ATOM 575 CB ILE A 43 -5.814 -4.640 0.038 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.442 -5.905 0.834 1.00 0.00 C ATOM 577 CG2 ILE A 43 -4.943 -3.468 0.438 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.193 -5.674 2.322 1.00 0.00 C ATOM 0 H ILE A 43 -6.848 -2.285 -0.013 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.874 -4.931 -0.570 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.620 -4.853 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.243 -6.636 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.547 -6.344 0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.893 -3.749 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.148 -2.622 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.160 -3.189 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.938 -6.620 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.370 -4.970 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.093 -5.267 2.783 1.00 0.00 H new ATOM 590 N ALA A 44 -7.615 -3.722 2.527 1.00 0.00 N ATOM 591 CA ALA A 44 -7.974 -3.949 3.945 1.00 0.00 C ATOM 592 C ALA A 44 -9.466 -4.150 4.157 1.00 0.00 C ATOM 593 O ALA A 44 -9.873 -4.862 5.072 1.00 0.00 O ATOM 594 CB ALA A 44 -7.449 -2.824 4.823 1.00 0.00 C ATOM 0 H ALA A 44 -7.130 -2.840 2.359 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.492 -4.881 4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.725 -3.013 5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.363 -2.774 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.882 -1.877 4.499 1.00 0.00 H new ATOM 600 N SER A 45 -10.270 -3.491 3.325 1.00 0.00 N ATOM 601 CA SER A 45 -11.742 -3.632 3.320 1.00 0.00 C ATOM 602 C SER A 45 -12.427 -2.972 4.533 1.00 0.00 C ATOM 603 O SER A 45 -13.490 -2.372 4.394 1.00 0.00 O ATOM 604 CB SER A 45 -12.137 -5.112 3.240 1.00 0.00 C ATOM 605 OG SER A 45 -11.316 -5.802 2.312 1.00 0.00 O ATOM 0 H SER A 45 -9.924 -2.835 2.625 1.00 0.00 H new ATOM 0 HA SER A 45 -12.094 -3.103 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.046 -5.571 4.224 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.182 -5.199 2.943 1.00 0.00 H new ATOM 0 HG SER A 45 -11.583 -6.744 2.277 1.00 0.00 H new ATOM 611 N SER A 46 -11.813 -3.083 5.699 1.00 0.00 N ATOM 612 CA SER A 46 -12.399 -2.590 6.932 1.00 0.00 C ATOM 613 C SER A 46 -12.425 -1.052 7.018 1.00 0.00 C ATOM 614 O SER A 46 -13.383 -0.412 6.577 1.00 0.00 O ATOM 615 CB SER A 46 -11.658 -3.189 8.133 1.00 0.00 C ATOM 616 OG SER A 46 -12.212 -2.752 9.358 1.00 0.00 O ATOM 0 H SER A 46 -10.897 -3.516 5.817 1.00 0.00 H new ATOM 0 HA SER A 46 -13.441 -2.911 6.944 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.700 -4.277 8.082 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.606 -2.909 8.089 1.00 0.00 H new ATOM 0 HG SER A 46 -12.802 -3.448 9.717 1.00 0.00 H new ATOM 622 N VAL A 47 -11.379 -0.475 7.594 1.00 0.00 N ATOM 623 CA VAL A 47 -11.313 0.972 7.823 1.00 0.00 C ATOM 624 C VAL A 47 -9.923 1.542 7.565 1.00 0.00 C ATOM 625 O VAL A 47 -9.769 2.753 7.410 1.00 0.00 O ATOM 626 CB VAL A 47 -11.752 1.351 9.258 1.00 0.00 C ATOM 627 CG1 VAL A 47 -13.261 1.237 9.409 1.00 0.00 C ATOM 628 CG2 VAL A 47 -11.049 0.473 10.282 1.00 0.00 C ATOM 0 H VAL A 47 -10.557 -0.986 7.915 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.008 1.410 7.106 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.467 2.388 9.437 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.546 1.508 10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.749 1.909 8.703 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.570 0.212 9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.371 0.755 11.285 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.301 -0.572 10.100 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.971 0.606 10.196 1.00 0.00 H new ATOM 638 N VAL A 48 -8.901 0.678 7.584 1.00 0.00 N ATOM 639 CA VAL A 48 -7.520 1.112 7.362 1.00 0.00 C ATOM 640 C VAL A 48 -7.342 1.710 5.962 1.00 0.00 C ATOM 641 O VAL A 48 -6.943 1.015 5.044 1.00 0.00 O ATOM 642 CB VAL A 48 -6.506 -0.059 7.524 1.00 0.00 C ATOM 643 CG1 VAL A 48 -5.071 0.437 7.373 1.00 0.00 C ATOM 644 CG2 VAL A 48 -6.680 -0.747 8.858 1.00 0.00 C ATOM 0 H VAL A 48 -9.006 -0.323 7.751 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.318 1.870 8.119 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.709 -0.782 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.383 -0.400 7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.941 0.878 6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.863 1.187 8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.960 -1.560 8.945 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.515 -0.029 9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.691 -1.148 8.931 1.00 0.00 H new ATOM 654 N GLN A 49 -7.686 2.983 5.803 1.00 0.00 N ATOM 655 CA GLN A 49 -7.501 3.675 4.533 1.00 0.00 C ATOM 656 C GLN A 49 -6.036 3.758 4.190 1.00 0.00 C ATOM 657 O GLN A 49 -5.637 3.551 3.042 1.00 0.00 O ATOM 658 CB GLN A 49 -8.084 5.081 4.600 1.00 0.00 C ATOM 659 CG GLN A 49 -9.566 5.152 4.325 1.00 0.00 C ATOM 660 CD GLN A 49 -9.907 4.749 2.900 1.00 0.00 C ATOM 661 OE1 GLN A 49 -9.104 4.926 1.980 1.00 0.00 O ATOM 662 NE2 GLN A 49 -11.087 4.212 2.711 1.00 0.00 N ATOM 0 H GLN A 49 -8.095 3.558 6.540 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.021 3.109 3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.890 5.496 5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.562 5.713 3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.094 4.500 5.021 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.919 6.167 4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.721 4.083 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.372 3.922 1.775 1.00 0.00 H new ATOM 671 N ARG A 50 -5.242 4.093 5.184 1.00 0.00 N ATOM 672 CA ARG A 50 -3.823 4.199 5.014 1.00 0.00 C ATOM 673 C ARG A 50 -3.083 4.042 6.351 1.00 0.00 C ATOM 674 O ARG A 50 -1.850 4.087 6.387 1.00 0.00 O ATOM 675 CB ARG A 50 -3.523 5.557 4.401 1.00 0.00 C ATOM 676 CG ARG A 50 -2.091 5.768 4.022 1.00 0.00 C ATOM 677 CD ARG A 50 -2.005 6.640 2.806 1.00 0.00 C ATOM 678 NE ARG A 50 -2.513 5.940 1.620 1.00 0.00 N ATOM 679 CZ ARG A 50 -2.770 6.517 0.445 1.00 0.00 C ATOM 680 NH1 ARG A 50 -2.619 7.826 0.301 1.00 0.00 N ATOM 681 NH2 ARG A 50 -3.209 5.782 -0.577 1.00 0.00 N ATOM 0 H ARG A 50 -5.569 4.298 6.128 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.476 3.399 4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.142 5.685 3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.816 6.333 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.552 6.229 4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.613 4.808 3.826 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.578 7.553 2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.970 6.939 2.641 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.682 4.937 1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.306 8.393 1.089 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.816 8.266 -0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.348 4.778 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.405 6.223 -1.475 1.00 0.00 H new ATOM 695 N ALA A 51 -3.846 3.826 7.443 1.00 0.00 N ATOM 696 CA ALA A 51 -3.306 3.781 8.815 1.00 0.00 C ATOM 697 C ALA A 51 -2.788 5.161 9.241 1.00 0.00 C ATOM 698 O ALA A 51 -3.184 5.683 10.283 1.00 0.00 O ATOM 699 CB ALA A 51 -2.230 2.707 8.966 1.00 0.00 C ATOM 0 H ALA A 51 -4.854 3.678 7.396 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.122 3.507 9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.858 2.706 9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.655 1.731 8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.408 2.917 8.282 1.00 0.00 H new ATOM 705 N ALA A 52 -1.914 5.740 8.420 1.00 0.00 N ATOM 706 CA ALA A 52 -1.393 7.072 8.650 1.00 0.00 C ATOM 707 C ALA A 52 -2.525 8.085 8.614 1.00 0.00 C ATOM 708 O ALA A 52 -3.355 8.072 7.691 1.00 0.00 O ATOM 709 CB ALA A 52 -0.340 7.409 7.614 1.00 0.00 C ATOM 0 H ALA A 52 -1.551 5.293 7.578 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.927 7.107 9.635 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.043 8.413 7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.477 6.691 7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.782 7.366 6.619 1.00 0.00 H new ATOM 715 N GLN A 53 -2.530 8.977 9.590 1.00 0.00 N ATOM 716 CA GLN A 53 -3.611 9.946 9.791 1.00 0.00 C ATOM 717 C GLN A 53 -3.820 10.853 8.587 1.00 0.00 C ATOM 718 O GLN A 53 -4.865 11.484 8.468 1.00 0.00 O ATOM 719 CB GLN A 53 -3.372 10.798 11.050 1.00 0.00 C ATOM 720 CG GLN A 53 -3.121 9.989 12.314 1.00 0.00 C ATOM 721 CD GLN A 53 -1.744 9.356 12.339 1.00 0.00 C ATOM 722 OE1 GLN A 53 -0.783 9.913 11.824 1.00 0.00 O ATOM 723 NE2 GLN A 53 -1.661 8.175 12.888 1.00 0.00 N ATOM 0 H GLN A 53 -1.779 9.055 10.276 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.520 9.359 9.923 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.518 11.452 10.875 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.238 11.441 11.210 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.235 10.636 13.183 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.877 9.208 12.397 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.487 7.748 13.306 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.770 7.679 12.899 1.00 0.00 H new ATOM 732 N SER A 54 -2.832 10.930 7.711 1.00 0.00 N ATOM 733 CA SER A 54 -2.933 11.764 6.529 1.00 0.00 C ATOM 734 C SER A 54 -4.170 11.394 5.708 1.00 0.00 C ATOM 735 O SER A 54 -5.127 12.166 5.630 1.00 0.00 O ATOM 736 CB SER A 54 -1.658 11.666 5.678 1.00 0.00 C ATOM 737 OG SER A 54 -1.664 12.628 4.636 1.00 0.00 O ATOM 0 H SER A 54 -1.951 10.424 7.798 1.00 0.00 H new ATOM 0 HA SER A 54 -3.040 12.799 6.853 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.783 11.816 6.310 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.577 10.666 5.253 1.00 0.00 H new ATOM 0 HG SER A 54 -0.841 12.546 4.110 1.00 0.00 H new ATOM 743 N LEU A 55 -4.160 10.211 5.110 1.00 0.00 N ATOM 744 CA LEU A 55 -5.291 9.779 4.307 1.00 0.00 C ATOM 745 C LEU A 55 -6.338 9.078 5.161 1.00 0.00 C ATOM 746 O LEU A 55 -7.528 9.129 4.860 1.00 0.00 O ATOM 747 CB LEU A 55 -4.851 8.848 3.189 1.00 0.00 C ATOM 748 CG LEU A 55 -5.827 8.750 2.018 1.00 0.00 C ATOM 749 CD1 LEU A 55 -5.526 9.828 0.990 1.00 0.00 C ATOM 750 CD2 LEU A 55 -5.797 7.369 1.390 1.00 0.00 C ATOM 0 H LEU A 55 -3.392 9.542 5.165 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.730 10.676 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.886 9.186 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.700 7.851 3.603 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.835 8.911 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.229 9.747 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.623 10.810 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.509 9.702 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.502 7.331 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.793 7.158 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.074 6.624 2.136 1.00 0.00 H new ATOM 762 N ALA A 56 -5.890 8.423 6.235 1.00 0.00 N ATOM 763 CA ALA A 56 -6.792 7.663 7.099 1.00 0.00 C ATOM 764 C ALA A 56 -7.782 8.551 7.814 1.00 0.00 C ATOM 765 O ALA A 56 -8.786 8.065 8.334 1.00 0.00 O ATOM 766 CB ALA A 56 -6.037 6.791 8.082 1.00 0.00 C ATOM 0 H ALA A 56 -4.912 8.404 6.525 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.360 7.004 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.747 6.245 8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.413 6.083 7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.408 7.417 8.715 1.00 0.00 H new ATOM 772 N SER A 57 -7.480 9.843 7.885 1.00 0.00 N ATOM 773 CA SER A 57 -8.393 10.798 8.486 1.00 0.00 C ATOM 774 C SER A 57 -9.669 10.862 7.647 1.00 0.00 C ATOM 775 O SER A 57 -9.803 11.694 6.743 1.00 0.00 O ATOM 776 CB SER A 57 -7.745 12.188 8.593 1.00 0.00 C ATOM 777 OG SER A 57 -8.541 13.076 9.363 1.00 0.00 O ATOM 0 H SER A 57 -6.612 10.248 7.534 1.00 0.00 H new ATOM 0 HA SER A 57 -8.637 10.472 9.497 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.758 12.096 9.047 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.600 12.601 7.595 1.00 0.00 H new ATOM 0 HG SER A 57 -8.101 13.950 9.413 1.00 0.00 H new ATOM 783 N THR A 58 -10.561 9.932 7.912 1.00 0.00 N ATOM 784 CA THR A 58 -11.798 9.826 7.197 1.00 0.00 C ATOM 785 C THR A 58 -12.950 9.568 8.176 1.00 0.00 C ATOM 786 O THR A 58 -14.049 10.073 7.996 1.00 0.00 O ATOM 787 CB THR A 58 -11.718 8.689 6.120 1.00 0.00 C ATOM 788 OG1 THR A 58 -12.825 8.782 5.213 1.00 0.00 O ATOM 789 CG2 THR A 58 -11.705 7.297 6.764 1.00 0.00 C ATOM 0 H THR A 58 -10.439 9.226 8.638 1.00 0.00 H new ATOM 0 HA THR A 58 -11.985 10.767 6.680 1.00 0.00 H new ATOM 0 HB THR A 58 -10.783 8.824 5.576 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.762 8.067 4.545 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.649 6.536 5.985 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.840 7.208 7.421 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.617 7.156 7.344 1.00 0.00 H new ATOM 797 N LEU A 59 -12.682 8.772 9.213 1.00 0.00 N ATOM 798 CA LEU A 59 -13.684 8.463 10.217 1.00 0.00 C ATOM 799 C LEU A 59 -13.233 8.835 11.624 1.00 0.00 C ATOM 800 O LEU A 59 -13.854 8.439 12.611 1.00 0.00 O ATOM 801 CB LEU A 59 -14.096 7.006 10.140 1.00 0.00 C ATOM 802 CG LEU A 59 -12.991 6.006 9.881 1.00 0.00 C ATOM 803 CD1 LEU A 59 -12.132 5.857 11.101 1.00 0.00 C ATOM 804 CD2 LEU A 59 -13.582 4.681 9.467 1.00 0.00 C ATOM 0 H LEU A 59 -11.776 8.332 9.374 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.556 9.078 9.996 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -14.585 6.740 11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.841 6.903 9.351 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.362 6.368 9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.340 5.135 10.902 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.689 6.820 11.354 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.741 5.507 11.935 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.780 3.967 9.282 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -14.226 4.306 10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -14.168 4.812 8.557 1.00 0.00 H new ATOM 816 N GLY A 60 -12.176 9.605 11.713 1.00 0.00 N ATOM 817 CA GLY A 60 -11.677 10.015 13.003 1.00 0.00 C ATOM 818 C GLY A 60 -10.551 9.146 13.505 1.00 0.00 C ATOM 819 O GLY A 60 -10.582 8.675 14.635 1.00 0.00 O ATOM 0 H GLY A 60 -11.648 9.958 10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.332 11.047 12.941 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.493 9.995 13.725 1.00 0.00 H new ATOM 823 N VAL A 61 -9.567 8.917 12.655 1.00 0.00 N ATOM 824 CA VAL A 61 -8.381 8.151 13.045 1.00 0.00 C ATOM 825 C VAL A 61 -7.307 9.069 13.624 1.00 0.00 C ATOM 826 O VAL A 61 -6.824 9.975 12.942 1.00 0.00 O ATOM 827 CB VAL A 61 -7.744 7.407 11.848 1.00 0.00 C ATOM 828 CG1 VAL A 61 -6.595 6.527 12.310 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.773 6.593 11.093 1.00 0.00 C ATOM 0 H VAL A 61 -9.558 9.247 11.690 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.724 7.429 13.787 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.348 8.158 11.164 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.162 6.013 11.452 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.833 7.144 12.786 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.965 5.791 13.024 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.292 6.083 10.258 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.216 5.856 11.762 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.553 7.254 10.714 1.00 0.00 H new ATOM 839 N ASP A 62 -6.951 8.846 14.877 1.00 0.00 N ATOM 840 CA ASP A 62 -5.858 9.595 15.509 1.00 0.00 C ATOM 841 C ASP A 62 -5.101 8.696 16.470 1.00 0.00 C ATOM 842 O ASP A 62 -4.387 9.155 17.357 1.00 0.00 O ATOM 843 CB ASP A 62 -6.370 10.865 16.225 1.00 0.00 C ATOM 844 CG ASP A 62 -7.113 10.581 17.521 1.00 0.00 C ATOM 845 OD1 ASP A 62 -8.307 10.244 17.464 1.00 0.00 O ATOM 846 OD2 ASP A 62 -6.500 10.717 18.611 1.00 0.00 O ATOM 0 H ASP A 62 -7.396 8.156 15.483 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.178 9.926 14.724 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.523 11.517 16.438 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.030 11.410 15.550 1.00 0.00 H new ATOM 851 N GLY A 63 -5.230 7.413 16.245 1.00 0.00 N ATOM 852 CA GLY A 63 -4.594 6.429 17.101 1.00 0.00 C ATOM 853 C GLY A 63 -5.619 5.580 17.799 1.00 0.00 C ATOM 854 O GLY A 63 -5.393 4.396 18.062 1.00 0.00 O ATOM 0 H GLY A 63 -5.770 7.019 15.475 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.936 5.796 16.506 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.970 6.933 17.839 1.00 0.00 H new ATOM 858 N ASN A 64 -6.756 6.193 18.067 1.00 0.00 N ATOM 859 CA ASN A 64 -7.890 5.556 18.725 1.00 0.00 C ATOM 860 C ASN A 64 -8.294 4.247 18.026 1.00 0.00 C ATOM 861 O ASN A 64 -7.913 3.160 18.463 1.00 0.00 O ATOM 862 CB ASN A 64 -9.078 6.548 18.800 1.00 0.00 C ATOM 863 CG ASN A 64 -9.467 7.155 17.443 1.00 0.00 C ATOM 864 OD1 ASN A 64 -8.643 7.258 16.524 1.00 0.00 O ATOM 865 ND2 ASN A 64 -10.712 7.561 17.313 1.00 0.00 N ATOM 0 H ASN A 64 -6.925 7.170 17.829 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.593 5.289 19.739 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.943 6.033 19.218 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.823 7.354 19.488 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.024 7.976 16.435 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.365 7.461 18.090 1.00 0.00 H new ATOM 872 N ASN A 65 -9.045 4.349 16.947 1.00 0.00 N ATOM 873 CA ASN A 65 -9.434 3.182 16.175 1.00 0.00 C ATOM 874 C ASN A 65 -8.364 2.854 15.139 1.00 0.00 C ATOM 875 O ASN A 65 -8.649 2.267 14.103 1.00 0.00 O ATOM 876 CB ASN A 65 -10.803 3.389 15.504 1.00 0.00 C ATOM 877 CG ASN A 65 -10.849 4.590 14.581 1.00 0.00 C ATOM 878 OD1 ASN A 65 -10.490 4.391 13.335 1.00 0.00 O flip ATOM 879 ND2 ASN A 65 -11.205 5.689 14.991 1.00 0.00 N flip ATOM 0 H ASN A 65 -9.400 5.233 16.582 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.527 2.337 16.857 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.059 2.495 14.936 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.563 3.505 16.276 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.477 5.806 15.967 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.229 6.487 14.356 1.00 0.00 H new ATOM 886 N LEU A 66 -7.137 3.250 15.433 1.00 0.00 N ATOM 887 CA LEU A 66 -6.009 2.993 14.552 1.00 0.00 C ATOM 888 C LEU A 66 -5.391 1.636 14.871 1.00 0.00 C ATOM 889 O LEU A 66 -5.617 0.650 14.170 1.00 0.00 O ATOM 890 CB LEU A 66 -4.964 4.104 14.715 1.00 0.00 C ATOM 891 CG LEU A 66 -3.924 4.245 13.602 1.00 0.00 C ATOM 892 CD1 LEU A 66 -3.188 5.560 13.743 1.00 0.00 C ATOM 893 CD2 LEU A 66 -2.926 3.092 13.600 1.00 0.00 C ATOM 0 H LEU A 66 -6.895 3.756 16.285 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.357 2.981 13.519 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.491 5.054 14.809 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.436 3.938 15.654 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.458 4.221 12.652 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.450 5.651 12.946 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.899 6.384 13.675 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.685 5.594 14.709 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.207 3.235 12.793 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.400 3.064 14.554 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.457 2.152 13.451 1.00 0.00 H new ATOM 905 N ALA A 67 -4.606 1.607 15.942 1.00 0.00 N ATOM 906 CA ALA A 67 -3.938 0.391 16.389 1.00 0.00 C ATOM 907 C ALA A 67 -4.956 -0.668 16.751 1.00 0.00 C ATOM 908 O ALA A 67 -4.738 -1.865 16.550 1.00 0.00 O ATOM 909 CB ALA A 67 -3.047 0.697 17.578 1.00 0.00 C ATOM 0 H ALA A 67 -4.415 2.423 16.523 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.321 0.010 15.576 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.551 -0.217 17.906 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.297 1.434 17.290 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.652 1.094 18.393 1.00 0.00 H new ATOM 915 N ARG A 68 -6.068 -0.223 17.272 1.00 0.00 N ATOM 916 CA ARG A 68 -7.144 -1.104 17.634 1.00 0.00 C ATOM 917 C ARG A 68 -8.290 -0.892 16.675 1.00 0.00 C ATOM 918 O ARG A 68 -8.343 0.129 16.014 1.00 0.00 O ATOM 919 CB ARG A 68 -7.581 -0.854 19.072 1.00 0.00 C ATOM 920 CG ARG A 68 -6.475 -1.091 20.090 1.00 0.00 C ATOM 921 CD ARG A 68 -6.948 -0.803 21.497 1.00 0.00 C ATOM 922 NE ARG A 68 -7.384 0.582 21.650 1.00 0.00 N ATOM 923 CZ ARG A 68 -8.441 0.959 22.373 1.00 0.00 C ATOM 924 NH1 ARG A 68 -9.183 0.048 23.000 1.00 0.00 N ATOM 925 NH2 ARG A 68 -8.755 2.243 22.466 1.00 0.00 N ATOM 0 H ARG A 68 -6.253 0.763 17.457 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.809 -2.139 17.570 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.934 0.173 19.163 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.425 -1.503 19.306 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.133 -2.124 20.024 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.620 -0.457 19.855 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.770 -1.473 21.748 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.142 -1.010 22.201 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.847 1.307 21.174 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.944 -0.941 22.929 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.990 0.339 23.552 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.189 2.942 21.985 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.562 2.532 23.018 1.00 0.00 H new ATOM 939 N PHE A 69 -9.195 -1.859 16.597 1.00 0.00 N ATOM 940 CA PHE A 69 -10.340 -1.816 15.666 1.00 0.00 C ATOM 941 C PHE A 69 -9.893 -1.969 14.206 1.00 0.00 C ATOM 942 O PHE A 69 -10.246 -2.942 13.553 1.00 0.00 O ATOM 943 CB PHE A 69 -11.179 -0.538 15.847 1.00 0.00 C ATOM 944 CG PHE A 69 -11.855 -0.439 17.184 1.00 0.00 C ATOM 945 CD1 PHE A 69 -13.080 -1.048 17.398 1.00 0.00 C ATOM 946 CD2 PHE A 69 -11.267 0.260 18.226 1.00 0.00 C ATOM 947 CE1 PHE A 69 -13.706 -0.962 18.624 1.00 0.00 C ATOM 948 CE2 PHE A 69 -11.889 0.351 19.453 1.00 0.00 C ATOM 949 CZ PHE A 69 -13.109 -0.260 19.652 1.00 0.00 C ATOM 0 H PHE A 69 -9.165 -2.700 17.173 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.974 -2.668 15.913 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.534 0.330 15.711 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.936 -0.498 15.064 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -13.551 -1.597 16.596 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.311 0.739 18.075 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.661 -1.443 18.779 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.421 0.900 20.257 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.598 -0.189 20.612 1.00 0.00 H new ATOM 959 N ALA A 70 -9.096 -1.023 13.718 1.00 0.00 N ATOM 960 CA ALA A 70 -8.609 -1.053 12.342 1.00 0.00 C ATOM 961 C ALA A 70 -7.740 -2.283 12.096 1.00 0.00 C ATOM 962 O ALA A 70 -8.083 -3.148 11.284 1.00 0.00 O ATOM 963 CB ALA A 70 -7.834 0.220 12.033 1.00 0.00 C ATOM 0 H ALA A 70 -8.772 -0.221 14.259 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.469 -1.112 11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.475 0.187 11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.486 1.084 12.162 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.984 0.302 12.711 1.00 0.00 H new ATOM 969 N VAL A 71 -6.627 -2.363 12.812 1.00 0.00 N ATOM 970 CA VAL A 71 -5.711 -3.496 12.695 1.00 0.00 C ATOM 971 C VAL A 71 -6.389 -4.782 13.138 1.00 0.00 C ATOM 972 O VAL A 71 -6.219 -5.818 12.516 1.00 0.00 O ATOM 973 CB VAL A 71 -4.426 -3.273 13.538 1.00 0.00 C ATOM 974 CG1 VAL A 71 -3.477 -4.463 13.412 1.00 0.00 C ATOM 975 CG2 VAL A 71 -3.728 -1.987 13.114 1.00 0.00 C ATOM 0 H VAL A 71 -6.333 -1.654 13.484 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.429 -3.579 11.645 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.718 -3.182 14.584 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.585 -4.282 14.012 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.976 -5.365 13.766 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.192 -4.592 12.368 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.829 -1.846 13.715 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.454 -2.052 12.061 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.400 -1.142 13.263 1.00 0.00 H new ATOM 985 N GLN A 72 -7.192 -4.693 14.185 1.00 0.00 N ATOM 986 CA GLN A 72 -7.864 -5.867 14.743 1.00 0.00 C ATOM 987 C GLN A 72 -8.840 -6.493 13.747 1.00 0.00 C ATOM 988 O GLN A 72 -9.032 -7.703 13.747 1.00 0.00 O ATOM 989 CB GLN A 72 -8.599 -5.507 16.028 1.00 0.00 C ATOM 990 CG GLN A 72 -7.708 -4.887 17.089 1.00 0.00 C ATOM 991 CD GLN A 72 -8.450 -4.572 18.376 1.00 0.00 C ATOM 992 OE1 GLN A 72 -9.749 -4.337 18.278 1.00 0.00 O flip ATOM 993 NE2 GLN A 72 -7.860 -4.550 19.449 1.00 0.00 N flip ATOM 0 H GLN A 72 -7.398 -3.820 14.671 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.090 -6.602 14.964 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.405 -4.812 15.792 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.062 -6.406 16.435 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.885 -5.567 17.308 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.268 -3.970 16.696 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.858 -4.736 19.484 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.371 -4.345 20.308 1.00 0.00 H new ATOM 1002 N ALA A 73 -9.449 -5.670 12.903 1.00 0.00 N ATOM 1003 CA ALA A 73 -10.410 -6.165 11.927 1.00 0.00 C ATOM 1004 C ALA A 73 -9.716 -6.734 10.694 1.00 0.00 C ATOM 1005 O ALA A 73 -10.119 -7.774 10.169 1.00 0.00 O ATOM 1006 CB ALA A 73 -11.379 -5.066 11.528 1.00 0.00 C ATOM 0 H ALA A 73 -9.296 -4.662 12.875 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.969 -6.974 12.397 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.089 -5.455 10.798 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.918 -4.718 12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.826 -4.235 11.090 1.00 0.00 H new ATOM 1012 N VAL A 74 -8.669 -6.059 10.238 1.00 0.00 N ATOM 1013 CA VAL A 74 -7.940 -6.500 9.054 1.00 0.00 C ATOM 1014 C VAL A 74 -7.093 -7.739 9.358 1.00 0.00 C ATOM 1015 O VAL A 74 -6.958 -8.637 8.529 1.00 0.00 O ATOM 1016 CB VAL A 74 -7.045 -5.375 8.485 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -6.359 -5.822 7.199 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -7.869 -4.125 8.238 1.00 0.00 C ATOM 0 H VAL A 74 -8.306 -5.208 10.667 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.683 -6.759 8.300 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.272 -5.148 9.219 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.735 -5.013 6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.738 -6.694 7.402 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.113 -6.079 6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.228 -3.340 7.837 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.661 -4.347 7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.311 -3.789 9.176 1.00 0.00 H new ATOM 1028 N SER A 75 -6.551 -7.797 10.563 1.00 0.00 N ATOM 1029 CA SER A 75 -5.742 -8.928 10.978 1.00 0.00 C ATOM 1030 C SER A 75 -6.639 -10.113 11.352 1.00 0.00 C ATOM 1031 O SER A 75 -6.162 -11.211 11.634 1.00 0.00 O ATOM 1032 CB SER A 75 -4.858 -8.527 12.164 1.00 0.00 C ATOM 1033 OG SER A 75 -5.645 -8.239 13.310 1.00 0.00 O ATOM 0 H SER A 75 -6.658 -7.071 11.272 1.00 0.00 H new ATOM 0 HA SER A 75 -5.102 -9.231 10.150 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.160 -9.333 12.391 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.262 -7.654 11.899 1.00 0.00 H new ATOM 0 HG SER A 75 -5.996 -7.326 13.245 1.00 0.00 H new ATOM 1039 N ARG A 76 -7.941 -9.872 11.332 1.00 0.00 N ATOM 1040 CA ARG A 76 -8.931 -10.876 11.687 1.00 0.00 C ATOM 1041 C ARG A 76 -9.356 -11.675 10.450 1.00 0.00 C ATOM 1042 O ARG A 76 -10.095 -12.656 10.553 1.00 0.00 O ATOM 1043 CB ARG A 76 -10.139 -10.183 12.319 1.00 0.00 C ATOM 1044 CG ARG A 76 -11.170 -11.112 12.926 1.00 0.00 C ATOM 1045 CD ARG A 76 -12.306 -10.318 13.542 1.00 0.00 C ATOM 1046 NE ARG A 76 -12.982 -9.483 12.547 1.00 0.00 N ATOM 1047 CZ ARG A 76 -13.470 -8.259 12.780 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -13.357 -7.699 13.985 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -14.061 -7.593 11.802 1.00 0.00 N ATOM 0 H ARG A 76 -8.341 -8.972 11.068 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.498 -11.574 12.403 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.784 -9.504 13.094 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.626 -9.572 11.559 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.561 -11.781 12.159 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.702 -11.737 13.686 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.025 -11.001 13.993 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.918 -9.689 14.343 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.089 -9.863 11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.895 -8.204 14.741 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.733 -6.765 14.151 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.143 -8.013 10.876 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.435 -6.660 11.974 1.00 0.00 H new ATOM 1063 N LEU A 77 -8.880 -11.242 9.282 1.00 0.00 N ATOM 1064 CA LEU A 77 -9.190 -11.914 8.018 1.00 0.00 C ATOM 1065 C LEU A 77 -8.708 -13.363 8.040 1.00 0.00 C ATOM 1066 O LEU A 77 -7.632 -13.656 8.582 1.00 0.00 O ATOM 1067 CB LEU A 77 -8.545 -11.170 6.830 1.00 0.00 C ATOM 1068 CG LEU A 77 -9.405 -10.097 6.139 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -9.899 -9.062 7.133 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -8.616 -9.425 5.026 1.00 0.00 C ATOM 0 H LEU A 77 -8.276 -10.426 9.184 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.273 -11.905 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.628 -10.697 7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.256 -11.908 6.082 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.276 -10.591 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.503 -8.318 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.503 -9.551 7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.046 -8.573 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.236 -8.668 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.727 -8.953 5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.318 -10.171 4.289 1.00 0.00 H new ATOM 1171 N TYR A 86 -2.429 -10.725 1.515 1.00 0.00 N ATOM 1172 CA TYR A 86 -3.187 -9.758 0.754 1.00 0.00 C ATOM 1173 C TYR A 86 -2.320 -8.576 0.272 1.00 0.00 C ATOM 1174 O TYR A 86 -2.382 -8.180 -0.889 1.00 0.00 O ATOM 1175 CB TYR A 86 -4.446 -9.287 1.530 1.00 0.00 C ATOM 1176 CG TYR A 86 -4.267 -8.934 3.020 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -3.260 -8.083 3.464 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -5.147 -9.437 3.970 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -3.131 -7.752 4.797 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -5.022 -9.110 5.310 1.00 0.00 C ATOM 1181 CZ TYR A 86 -4.011 -8.267 5.715 1.00 0.00 C ATOM 1182 OH TYR A 86 -3.885 -7.936 7.043 1.00 0.00 O ATOM 0 HA TYR A 86 -3.534 -10.263 -0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.847 -8.410 1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.200 -10.071 1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.563 -7.672 2.749 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.944 -10.096 3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.340 -7.090 5.117 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.714 -9.514 6.034 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.499 -7.038 7.121 1.00 0.00 H new ATOM 1192 N ALA A 87 -1.519 -8.036 1.162 1.00 0.00 N ATOM 1193 CA ALA A 87 -0.663 -6.906 0.852 1.00 0.00 C ATOM 1194 C ALA A 87 0.675 -7.360 0.303 1.00 0.00 C ATOM 1195 O ALA A 87 1.407 -6.579 -0.302 1.00 0.00 O ATOM 1196 CB ALA A 87 -0.459 -6.055 2.085 1.00 0.00 C ATOM 0 H ALA A 87 -1.440 -8.366 2.124 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.156 -6.312 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.185 -5.210 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.423 -5.687 2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.008 -6.654 2.867 1.00 0.00 H new ATOM 1202 N GLN A 88 0.988 -8.622 0.535 1.00 0.00 N ATOM 1203 CA GLN A 88 2.277 -9.183 0.177 1.00 0.00 C ATOM 1204 C GLN A 88 2.514 -9.172 -1.318 1.00 0.00 C ATOM 1205 O GLN A 88 3.592 -8.790 -1.781 1.00 0.00 O ATOM 1206 CB GLN A 88 2.400 -10.608 0.701 1.00 0.00 C ATOM 1207 CG GLN A 88 3.749 -10.899 1.305 1.00 0.00 C ATOM 1208 CD GLN A 88 3.919 -10.199 2.629 1.00 0.00 C ATOM 1209 OE1 GLN A 88 3.639 -10.766 3.673 1.00 0.00 O ATOM 1210 NE2 GLN A 88 4.346 -8.958 2.594 1.00 0.00 N ATOM 0 H GLN A 88 0.354 -9.287 0.978 1.00 0.00 H new ATOM 0 HA GLN A 88 3.036 -8.552 0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.628 -10.782 1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.215 -11.307 -0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.864 -11.974 1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.534 -10.580 0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.569 -8.521 1.700 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.454 -8.431 3.461 1.00 0.00 H new ATOM 1219 N ALA A 89 1.511 -9.583 -2.070 1.00 0.00 N ATOM 1220 CA ALA A 89 1.635 -9.673 -3.508 1.00 0.00 C ATOM 1221 C ALA A 89 1.872 -8.307 -4.127 1.00 0.00 C ATOM 1222 O ALA A 89 2.926 -8.046 -4.691 1.00 0.00 O ATOM 1223 CB ALA A 89 0.394 -10.323 -4.106 1.00 0.00 C ATOM 0 H ALA A 89 0.600 -9.860 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 89 2.501 -10.295 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.501 -10.384 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.275 -11.326 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.484 -9.725 -3.862 1.00 0.00 H new ATOM 1229 N PHE A 90 0.917 -7.425 -3.968 1.00 0.00 N ATOM 1230 CA PHE A 90 0.986 -6.108 -4.586 1.00 0.00 C ATOM 1231 C PHE A 90 1.795 -5.123 -3.737 1.00 0.00 C ATOM 1232 O PHE A 90 1.532 -3.926 -3.751 1.00 0.00 O ATOM 1233 CB PHE A 90 -0.423 -5.576 -4.830 1.00 0.00 C ATOM 1234 CG PHE A 90 -1.282 -6.506 -5.637 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -1.027 -6.714 -6.983 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -2.337 -7.184 -5.045 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -1.809 -7.575 -7.727 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -3.123 -8.049 -5.783 1.00 0.00 C ATOM 1239 CZ PHE A 90 -2.858 -8.244 -7.126 1.00 0.00 C ATOM 0 H PHE A 90 0.076 -7.588 -3.415 1.00 0.00 H new ATOM 0 HA PHE A 90 1.502 -6.210 -5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.904 -5.391 -3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.357 -4.617 -5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.206 -6.196 -7.456 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.547 -7.035 -3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.601 -7.725 -8.776 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.942 -8.571 -5.312 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.471 -8.919 -7.705 1.00 0.00 H new ATOM 1249 N SER A 91 2.801 -5.629 -3.047 1.00 0.00 N ATOM 1250 CA SER A 91 3.623 -4.819 -2.160 1.00 0.00 C ATOM 1251 C SER A 91 4.230 -3.597 -2.879 1.00 0.00 C ATOM 1252 O SER A 91 3.941 -2.454 -2.521 1.00 0.00 O ATOM 1253 CB SER A 91 4.721 -5.689 -1.549 1.00 0.00 C ATOM 1254 OG SER A 91 5.319 -6.510 -2.543 1.00 0.00 O ATOM 0 H SER A 91 3.073 -6.611 -3.084 1.00 0.00 H new ATOM 0 HA SER A 91 2.983 -4.429 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.479 -5.056 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.302 -6.312 -0.759 1.00 0.00 H new ATOM 0 HG SER A 91 4.911 -7.401 -2.520 1.00 0.00 H new ATOM 1260 N SER A 92 5.049 -3.842 -3.898 1.00 0.00 N ATOM 1261 CA SER A 92 5.684 -2.746 -4.642 1.00 0.00 C ATOM 1262 C SER A 92 4.685 -1.941 -5.458 1.00 0.00 C ATOM 1263 O SER A 92 4.799 -0.722 -5.550 1.00 0.00 O ATOM 1264 CB SER A 92 6.775 -3.265 -5.574 1.00 0.00 C ATOM 1265 OG SER A 92 7.767 -3.974 -4.868 1.00 0.00 O ATOM 0 H SER A 92 5.290 -4.776 -4.229 1.00 0.00 H new ATOM 0 HA SER A 92 6.124 -2.092 -3.889 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.331 -3.914 -6.329 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.232 -2.428 -6.102 1.00 0.00 H new ATOM 0 HG SER A 92 7.814 -4.893 -5.204 1.00 0.00 H new ATOM 1271 N ALA A 93 3.716 -2.623 -6.044 1.00 0.00 N ATOM 1272 CA ALA A 93 2.751 -1.973 -6.919 1.00 0.00 C ATOM 1273 C ALA A 93 1.888 -0.970 -6.168 1.00 0.00 C ATOM 1274 O ALA A 93 1.589 0.100 -6.681 1.00 0.00 O ATOM 1275 CB ALA A 93 1.881 -3.005 -7.618 1.00 0.00 C ATOM 0 H ALA A 93 3.575 -3.627 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 93 3.315 -1.421 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.167 -2.499 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.509 -3.666 -8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.343 -3.591 -6.873 1.00 0.00 H new ATOM 1281 N LEU A 94 1.487 -1.319 -4.954 1.00 0.00 N ATOM 1282 CA LEU A 94 0.635 -0.445 -4.168 1.00 0.00 C ATOM 1283 C LEU A 94 1.440 0.608 -3.426 1.00 0.00 C ATOM 1284 O LEU A 94 0.966 1.720 -3.219 1.00 0.00 O ATOM 1285 CB LEU A 94 -0.187 -1.243 -3.156 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.978 -2.420 -3.705 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.842 -3.031 -2.615 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.810 -2.009 -4.906 1.00 0.00 C ATOM 0 H LEU A 94 1.737 -2.196 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.033 0.052 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.488 -1.615 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.884 -0.561 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.273 -3.179 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.402 -3.872 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.207 -3.379 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.537 -2.281 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.364 -2.871 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.510 -1.226 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.154 -1.634 -5.692 1.00 0.00 H new ATOM 1300 N PHE A 95 2.638 0.245 -2.993 1.00 0.00 N ATOM 1301 CA PHE A 95 3.472 1.159 -2.219 1.00 0.00 C ATOM 1302 C PHE A 95 4.109 2.209 -3.106 1.00 0.00 C ATOM 1303 O PHE A 95 4.074 3.392 -2.789 1.00 0.00 O ATOM 1304 CB PHE A 95 4.552 0.385 -1.450 1.00 0.00 C ATOM 1305 CG PHE A 95 5.431 1.252 -0.586 1.00 0.00 C ATOM 1306 CD1 PHE A 95 4.985 1.702 0.646 1.00 0.00 C ATOM 1307 CD2 PHE A 95 6.702 1.613 -1.006 1.00 0.00 C ATOM 1308 CE1 PHE A 95 5.787 2.497 1.442 1.00 0.00 C ATOM 1309 CE2 PHE A 95 7.508 2.408 -0.215 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.050 2.851 1.011 1.00 0.00 C ATOM 0 H PHE A 95 3.055 -0.670 -3.162 1.00 0.00 H new ATOM 0 HA PHE A 95 2.828 1.669 -1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.070 -0.365 -0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.177 -0.151 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.998 1.428 0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.066 1.269 -1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.426 2.841 2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.496 2.683 -0.555 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.679 3.473 1.631 1.00 0.00 H new ATOM 1320 N ASN A 96 4.676 1.754 -4.221 1.00 0.00 N ATOM 1321 CA ASN A 96 5.380 2.615 -5.171 1.00 0.00 C ATOM 1322 C ASN A 96 6.518 3.370 -4.490 1.00 0.00 C ATOM 1323 O ASN A 96 6.335 4.456 -3.946 1.00 0.00 O ATOM 1324 CB ASN A 96 4.424 3.583 -5.876 1.00 0.00 C ATOM 1325 CG ASN A 96 5.050 4.230 -7.104 1.00 0.00 C ATOM 1326 OD1 ASN A 96 6.255 4.486 -7.150 1.00 0.00 O ATOM 1327 ND2 ASN A 96 4.243 4.466 -8.119 1.00 0.00 N ATOM 0 H ASN A 96 4.660 0.771 -4.493 1.00 0.00 H new ATOM 0 HA ASN A 96 5.812 1.969 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.522 3.047 -6.172 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.118 4.360 -5.176 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.611 4.874 -8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.251 4.241 -8.045 1.00 0.00 H new ATOM 1334 N ALA A 97 7.697 2.779 -4.529 1.00 0.00 N ATOM 1335 CA ALA A 97 8.864 3.364 -3.897 1.00 0.00 C ATOM 1336 C ALA A 97 9.505 4.443 -4.782 1.00 0.00 C ATOM 1337 O ALA A 97 10.490 5.065 -4.402 1.00 0.00 O ATOM 1338 CB ALA A 97 9.871 2.276 -3.570 1.00 0.00 C ATOM 0 H ALA A 97 7.872 1.889 -4.995 1.00 0.00 H new ATOM 0 HA ALA A 97 8.544 3.848 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.746 2.721 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.418 1.553 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.173 1.772 -4.488 1.00 0.00 H new ATOM 1344 N GLY A 98 8.943 4.642 -5.973 1.00 0.00 N ATOM 1345 CA GLY A 98 9.468 5.637 -6.902 1.00 0.00 C ATOM 1346 C GLY A 98 10.667 5.134 -7.684 1.00 0.00 C ATOM 1347 O GLY A 98 11.074 5.741 -8.674 1.00 0.00 O ATOM 0 H GLY A 98 8.129 4.130 -6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.682 5.928 -7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.751 6.532 -6.348 1.00 0.00 H new ATOM 1351 N VAL A 99 11.226 4.023 -7.238 1.00 0.00 N ATOM 1352 CA VAL A 99 12.382 3.413 -7.885 1.00 0.00 C ATOM 1353 C VAL A 99 11.932 2.605 -9.100 1.00 0.00 C ATOM 1354 O VAL A 99 12.741 2.169 -9.923 1.00 0.00 O ATOM 1355 CB VAL A 99 13.127 2.473 -6.897 1.00 0.00 C ATOM 1356 CG1 VAL A 99 14.481 2.050 -7.446 1.00 0.00 C ATOM 1357 CG2 VAL A 99 13.276 3.136 -5.536 1.00 0.00 C ATOM 0 H VAL A 99 10.894 3.516 -6.418 1.00 0.00 H new ATOM 0 HA VAL A 99 13.057 4.208 -8.200 1.00 0.00 H new ATOM 0 HB VAL A 99 12.526 1.572 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 99 14.975 1.393 -6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.342 1.520 -8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.098 2.933 -7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.800 2.462 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.845 4.059 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.289 3.362 -5.132 1.00 0.00 H new ATOM 1367 N LEU A 100 10.632 2.457 -9.222 1.00 0.00 N ATOM 1368 CA LEU A 100 10.039 1.657 -10.267 1.00 0.00 C ATOM 1369 C LEU A 100 9.878 2.431 -11.562 1.00 0.00 C ATOM 1370 O LEU A 100 10.240 3.603 -11.650 1.00 0.00 O ATOM 1371 CB LEU A 100 8.684 1.096 -9.802 1.00 0.00 C ATOM 1372 CG LEU A 100 7.753 2.044 -9.039 1.00 0.00 C ATOM 1373 CD1 LEU A 100 7.287 3.204 -9.910 1.00 0.00 C ATOM 1374 CD2 LEU A 100 6.571 1.264 -8.501 1.00 0.00 C ATOM 0 H LEU A 100 9.954 2.891 -8.595 1.00 0.00 H new ATOM 0 HA LEU A 100 10.720 0.830 -10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.150 0.734 -10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.877 0.231 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 100 8.310 2.477 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.629 3.852 -9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.152 3.774 -10.249 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.746 2.816 -10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.908 1.937 -7.958 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.028 0.809 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.926 0.483 -7.828 1.00 0.00 H new ATOM 1386 N ASN A 101 9.326 1.762 -12.557 1.00 0.00 N ATOM 1387 CA ASN A 101 9.086 2.354 -13.845 1.00 0.00 C ATOM 1388 C ASN A 101 7.864 3.252 -13.799 1.00 0.00 C ATOM 1389 O ASN A 101 6.735 2.784 -13.593 1.00 0.00 O ATOM 1390 CB ASN A 101 8.947 1.266 -14.934 1.00 0.00 C ATOM 1391 CG ASN A 101 8.261 -0.025 -14.457 1.00 0.00 C ATOM 1392 OD1 ASN A 101 7.327 0.087 -13.523 1.00 0.00 O flip ATOM 1393 ND2 ASN A 101 8.570 -1.113 -14.938 1.00 0.00 N flip ATOM 0 H ASN A 101 9.033 0.788 -12.487 1.00 0.00 H new ATOM 0 HA ASN A 101 9.945 2.972 -14.106 1.00 0.00 H new ATOM 0 HB2 ASN A 101 8.381 1.676 -15.770 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.939 1.018 -15.312 1.00 0.00 H new ATOM 0 HD21 ASN A 101 9.293 -1.167 -15.656 1.00 0.00 H new ATOM 0 HD22 ASN A 101 8.103 -1.962 -14.620 1.00 0.00 H new ATOM 1400 N ALA A 102 8.093 4.537 -13.976 1.00 0.00 N ATOM 1401 CA ALA A 102 7.035 5.529 -13.912 1.00 0.00 C ATOM 1402 C ALA A 102 6.076 5.406 -15.087 1.00 0.00 C ATOM 1403 O ALA A 102 4.909 5.787 -14.984 1.00 0.00 O ATOM 1404 CB ALA A 102 7.626 6.925 -13.849 1.00 0.00 C ATOM 0 H ALA A 102 9.017 4.925 -14.168 1.00 0.00 H new ATOM 0 HA ALA A 102 6.462 5.346 -13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.821 7.659 -13.801 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.252 7.015 -12.962 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.229 7.105 -14.739 1.00 0.00 H new ATOM 1410 N SER A 103 6.551 4.840 -16.190 1.00 0.00 N ATOM 1411 CA SER A 103 5.726 4.692 -17.369 1.00 0.00 C ATOM 1412 C SER A 103 4.651 3.680 -17.099 1.00 0.00 C ATOM 1413 O SER A 103 3.499 3.877 -17.445 1.00 0.00 O ATOM 1414 CB SER A 103 6.571 4.266 -18.566 1.00 0.00 C ATOM 1415 OG SER A 103 7.591 5.211 -18.816 1.00 0.00 O ATOM 0 H SER A 103 7.500 4.479 -16.287 1.00 0.00 H new ATOM 0 HA SER A 103 5.266 5.651 -17.606 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.013 3.288 -18.376 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.938 4.165 -19.447 1.00 0.00 H new ATOM 0 HG SER A 103 8.124 4.921 -19.586 1.00 0.00 H new ATOM 1421 N ASN A 104 5.032 2.613 -16.429 1.00 0.00 N ATOM 1422 CA ASN A 104 4.108 1.560 -16.071 1.00 0.00 C ATOM 1423 C ASN A 104 3.010 2.094 -15.145 1.00 0.00 C ATOM 1424 O ASN A 104 1.852 1.673 -15.218 1.00 0.00 O ATOM 1425 CB ASN A 104 4.889 0.405 -15.436 1.00 0.00 C ATOM 1426 CG ASN A 104 4.057 -0.496 -14.533 1.00 0.00 C ATOM 1427 OD1 ASN A 104 4.211 -0.323 -13.227 1.00 0.00 O flip ATOM 1428 ND2 ASN A 104 3.329 -1.369 -14.997 1.00 0.00 N flip ATOM 0 H ASN A 104 5.990 2.452 -16.118 1.00 0.00 H new ATOM 0 HA ASN A 104 3.607 1.186 -16.964 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.327 -0.201 -16.229 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.715 0.817 -14.856 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.236 -1.471 -16.008 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.817 -1.992 -14.372 1.00 0.00 H new ATOM 1435 N ILE A 105 3.368 3.057 -14.310 1.00 0.00 N ATOM 1436 CA ILE A 105 2.415 3.656 -13.393 1.00 0.00 C ATOM 1437 C ILE A 105 1.511 4.667 -14.103 1.00 0.00 C ATOM 1438 O ILE A 105 0.300 4.668 -13.905 1.00 0.00 O ATOM 1439 CB ILE A 105 3.121 4.310 -12.153 1.00 0.00 C ATOM 1440 CG1 ILE A 105 3.199 3.315 -10.987 1.00 0.00 C ATOM 1441 CG2 ILE A 105 2.416 5.589 -11.704 1.00 0.00 C ATOM 1442 CD1 ILE A 105 3.958 2.050 -11.296 1.00 0.00 C ATOM 0 H ILE A 105 4.312 3.439 -14.249 1.00 0.00 H new ATOM 0 HA ILE A 105 1.787 2.847 -13.021 1.00 0.00 H new ATOM 0 HB ILE A 105 4.131 4.578 -12.463 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.670 3.808 -10.136 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.186 3.051 -10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.937 6.009 -10.844 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.420 6.312 -12.519 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.387 5.359 -11.428 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.963 1.405 -10.417 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.477 1.530 -12.125 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.983 2.299 -11.570 1.00 0.00 H new ATOM 1454 N ASP A 106 2.088 5.500 -14.947 1.00 0.00 N ATOM 1455 CA ASP A 106 1.304 6.520 -15.633 1.00 0.00 C ATOM 1456 C ASP A 106 0.508 5.926 -16.795 1.00 0.00 C ATOM 1457 O ASP A 106 -0.457 6.510 -17.256 1.00 0.00 O ATOM 1458 CB ASP A 106 2.195 7.665 -16.119 1.00 0.00 C ATOM 1459 CG ASP A 106 1.388 8.866 -16.578 1.00 0.00 C ATOM 1460 OD1 ASP A 106 0.803 9.561 -15.714 1.00 0.00 O ATOM 1461 OD2 ASP A 106 1.337 9.127 -17.797 1.00 0.00 O ATOM 0 H ASP A 106 3.082 5.496 -15.175 1.00 0.00 H new ATOM 0 HA ASP A 106 0.593 6.923 -14.912 1.00 0.00 H new ATOM 0 HB2 ASP A 106 2.866 7.967 -15.315 1.00 0.00 H new ATOM 0 HB3 ASP A 106 2.819 7.314 -16.941 1.00 0.00 H new ATOM 1466 N THR A 107 0.906 4.759 -17.253 1.00 0.00 N ATOM 1467 CA THR A 107 0.201 4.111 -18.346 1.00 0.00 C ATOM 1468 C THR A 107 -1.000 3.321 -17.831 1.00 0.00 C ATOM 1469 O THR A 107 -2.135 3.550 -18.254 1.00 0.00 O ATOM 1470 CB THR A 107 1.129 3.172 -19.152 1.00 0.00 C ATOM 1471 OG1 THR A 107 2.211 3.926 -19.711 1.00 0.00 O ATOM 1472 CG2 THR A 107 0.369 2.475 -20.272 1.00 0.00 C ATOM 0 H THR A 107 1.707 4.240 -16.892 1.00 0.00 H new ATOM 0 HA THR A 107 -0.147 4.903 -19.009 1.00 0.00 H new ATOM 0 HB THR A 107 1.515 2.413 -18.472 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.951 3.962 -19.069 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.048 1.822 -20.821 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.441 1.882 -19.848 1.00 0.00 H new ATOM 0 HG23 THR A 107 -0.044 3.221 -20.951 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.757 2.416 -16.903 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.818 1.562 -16.408 1.00 0.00 C ATOM 1482 C LEU A 108 -1.990 1.657 -14.899 1.00 0.00 C ATOM 1483 O LEU A 108 -3.097 1.537 -14.401 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.557 0.118 -16.835 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.235 -0.492 -16.360 1.00 0.00 C ATOM 1486 CD1 LEU A 108 -0.431 -1.295 -15.083 1.00 0.00 C ATOM 1487 CD2 LEU A 108 0.379 -1.350 -17.449 1.00 0.00 C ATOM 0 H LEU A 108 0.157 2.254 -16.480 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.753 1.909 -16.847 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.374 -0.503 -16.467 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.586 0.071 -17.924 1.00 0.00 H new ATOM 0 HG LEU A 108 0.453 0.323 -16.139 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.524 -1.717 -14.768 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.816 -0.643 -14.299 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.141 -2.101 -15.266 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.317 -1.774 -17.092 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.308 -2.155 -17.708 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.570 -0.738 -18.330 1.00 0.00 H new ATOM 1499 N GLY A 109 -0.894 1.883 -14.183 1.00 0.00 N ATOM 1500 CA GLY A 109 -0.932 1.944 -12.725 1.00 0.00 C ATOM 1501 C GLY A 109 -2.008 2.869 -12.178 1.00 0.00 C ATOM 1502 O GLY A 109 -3.040 2.407 -11.711 1.00 0.00 O ATOM 0 H GLY A 109 0.031 2.027 -14.587 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.095 0.940 -12.333 1.00 0.00 H new ATOM 0 HA3 GLY A 109 0.040 2.276 -12.359 1.00 0.00 H new ATOM 1506 N SER A 110 -1.776 4.165 -12.262 1.00 0.00 N ATOM 1507 CA SER A 110 -2.704 5.160 -11.728 1.00 0.00 C ATOM 1508 C SER A 110 -4.072 5.101 -12.429 1.00 0.00 C ATOM 1509 O SER A 110 -5.070 5.591 -11.904 1.00 0.00 O ATOM 1510 CB SER A 110 -2.092 6.554 -11.860 1.00 0.00 C ATOM 1511 OG SER A 110 -0.769 6.568 -11.341 1.00 0.00 O ATOM 0 H SER A 110 -0.945 4.563 -12.699 1.00 0.00 H new ATOM 0 HA SER A 110 -2.874 4.936 -10.675 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.081 6.855 -12.908 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.706 7.279 -11.326 1.00 0.00 H new ATOM 0 HG SER A 110 -0.390 7.467 -11.434 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.111 4.484 -13.599 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.348 4.369 -14.359 1.00 0.00 C ATOM 1519 C ARG A 111 -6.217 3.223 -13.842 1.00 0.00 C ATOM 1520 O ARG A 111 -7.382 3.422 -13.504 1.00 0.00 O ATOM 1521 CB ARG A 111 -5.056 4.176 -15.852 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.870 5.472 -16.639 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.660 6.273 -16.178 1.00 0.00 C ATOM 1524 NE ARG A 111 -3.516 7.515 -16.950 1.00 0.00 N ATOM 1525 CZ ARG A 111 -2.629 8.490 -16.687 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -1.816 8.401 -15.633 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -2.567 9.556 -17.476 1.00 0.00 N ATOM 0 H ARG A 111 -3.300 4.054 -14.044 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.899 5.300 -14.226 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.155 3.571 -15.957 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.874 3.610 -16.298 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.762 5.237 -17.698 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.766 6.085 -16.538 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.760 6.510 -15.119 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.759 5.669 -16.285 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.138 7.648 -17.748 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.864 7.588 -15.019 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.146 9.146 -15.441 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.191 9.633 -18.279 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.895 10.298 -17.279 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.645 2.033 -13.774 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.376 0.849 -13.336 1.00 0.00 C ATOM 1543 C VAL A 112 -6.518 0.825 -11.816 1.00 0.00 C ATOM 1544 O VAL A 112 -7.569 0.479 -11.284 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.683 -0.447 -13.815 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.509 -1.666 -13.448 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.437 -0.400 -15.318 1.00 0.00 C ATOM 0 H VAL A 112 -4.670 1.857 -14.018 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.369 0.898 -13.783 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.719 -0.524 -13.311 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -6.002 -2.567 -13.795 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.630 -1.711 -12.366 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.489 -1.597 -13.920 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.948 -1.321 -15.636 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.389 -0.295 -15.839 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.798 0.450 -15.556 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.456 1.211 -11.120 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.471 1.269 -9.657 1.00 0.00 C ATOM 1559 C LEU A 113 -6.365 2.408 -9.197 1.00 0.00 C ATOM 1560 O LEU A 113 -6.766 2.463 -8.036 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.048 1.459 -9.100 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.156 0.203 -8.994 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -3.599 -0.673 -7.844 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -3.134 -0.582 -10.301 1.00 0.00 C ATOM 0 H LEU A 113 -4.570 1.490 -11.542 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.863 0.325 -9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.534 2.186 -9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.131 1.899 -8.106 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.137 0.537 -8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.957 -1.552 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.529 -0.112 -6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.631 -0.987 -8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.496 -1.459 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.146 -0.899 -10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.744 0.050 -11.099 1.00 0.00 H new ATOM 1576 N SER A 114 -6.658 3.311 -10.136 1.00 0.00 N ATOM 1577 CA SER A 114 -7.521 4.468 -9.919 1.00 0.00 C ATOM 1578 C SER A 114 -7.208 5.211 -8.611 1.00 0.00 C ATOM 1579 O SER A 114 -6.083 5.697 -8.417 1.00 0.00 O ATOM 1580 CB SER A 114 -9.014 4.076 -10.021 1.00 0.00 C ATOM 1581 OG SER A 114 -9.326 2.975 -9.184 1.00 0.00 O ATOM 0 H SER A 114 -6.293 3.254 -11.087 1.00 0.00 H new ATOM 0 HA SER A 114 -7.307 5.176 -10.720 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.634 4.929 -9.746 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.255 3.827 -11.054 1.00 0.00 H new ATOM 0 HG SER A 114 -10.277 2.756 -9.273 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.183 5.259 -7.711 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.059 5.991 -6.455 1.00 0.00 C ATOM 1589 C ALA A 115 -6.895 5.493 -5.612 1.00 0.00 C ATOM 1590 O ALA A 115 -6.251 6.277 -4.909 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.350 5.891 -5.667 1.00 0.00 C ATOM 0 H ALA A 115 -9.082 4.792 -7.831 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.859 7.033 -6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.248 6.440 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.166 6.316 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.565 4.844 -5.452 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.612 4.200 -5.701 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.564 3.598 -4.900 1.00 0.00 C ATOM 1599 C LEU A 116 -4.208 4.247 -5.172 1.00 0.00 C ATOM 1600 O LEU A 116 -3.634 4.876 -4.282 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.515 2.073 -5.118 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.474 1.295 -4.289 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -4.461 1.763 -2.840 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.773 -0.192 -4.345 1.00 0.00 C ATOM 0 H LEU A 116 -7.096 3.551 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.800 3.778 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.501 1.665 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.321 1.885 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.490 1.486 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.717 1.196 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.212 2.824 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.445 1.605 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.033 -0.734 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.767 -0.379 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.734 -0.532 -5.380 1.00 0.00 H new ATOM 1616 N LEU A 117 -3.712 4.139 -6.400 1.00 0.00 N ATOM 1617 CA LEU A 117 -2.409 4.713 -6.715 1.00 0.00 C ATOM 1618 C LEU A 117 -2.438 6.220 -6.768 1.00 0.00 C ATOM 1619 O LEU A 117 -1.442 6.858 -6.461 1.00 0.00 O ATOM 1620 CB LEU A 117 -1.803 4.138 -7.989 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.144 2.769 -7.836 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -0.423 2.374 -9.113 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.179 2.761 -6.655 1.00 0.00 C ATOM 0 H LEU A 117 -4.179 3.671 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.759 4.425 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.586 4.064 -8.743 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.061 4.840 -8.368 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.928 2.037 -7.643 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.039 1.396 -8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.137 2.331 -9.935 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.347 3.112 -9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.278 1.776 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.598 3.509 -6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.723 2.993 -5.739 1.00 0.00 H new ATOM 1635 N ASN A 118 -3.571 6.799 -7.139 1.00 0.00 N ATOM 1636 CA ASN A 118 -3.680 8.257 -7.163 1.00 0.00 C ATOM 1637 C ASN A 118 -3.463 8.823 -5.774 1.00 0.00 C ATOM 1638 O ASN A 118 -2.784 9.834 -5.601 1.00 0.00 O ATOM 1639 CB ASN A 118 -5.023 8.715 -7.738 1.00 0.00 C ATOM 1640 CG ASN A 118 -4.985 8.842 -9.250 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -4.672 9.903 -9.785 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -5.300 7.773 -9.946 1.00 0.00 N ATOM 0 H ASN A 118 -4.413 6.298 -7.422 1.00 0.00 H new ATOM 0 HA ASN A 118 -2.901 8.640 -7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.799 8.004 -7.454 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -5.295 9.676 -7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.290 7.807 -10.965 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.555 6.909 -9.467 1.00 0.00 H new ATOM 1649 N GLY A 119 -4.013 8.146 -4.778 1.00 0.00 N ATOM 1650 CA GLY A 119 -3.814 8.568 -3.417 1.00 0.00 C ATOM 1651 C GLY A 119 -2.421 8.229 -2.924 1.00 0.00 C ATOM 1652 O GLY A 119 -1.850 8.942 -2.105 1.00 0.00 O ATOM 0 H GLY A 119 -4.592 7.314 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -3.975 9.643 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -4.554 8.089 -2.775 1.00 0.00 H new ATOM 1656 N VAL A 120 -1.876 7.126 -3.414 1.00 0.00 N ATOM 1657 CA VAL A 120 -0.532 6.692 -3.037 1.00 0.00 C ATOM 1658 C VAL A 120 0.529 7.648 -3.593 1.00 0.00 C ATOM 1659 O VAL A 120 1.532 7.925 -2.933 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.246 5.246 -3.533 1.00 0.00 C ATOM 1661 CG1 VAL A 120 1.217 4.881 -3.360 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -1.120 4.246 -2.790 1.00 0.00 C ATOM 0 H VAL A 120 -2.344 6.509 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.482 6.703 -1.948 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.483 5.209 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.383 3.864 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.835 5.572 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 120 1.486 4.944 -2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.907 3.239 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.910 4.302 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.170 4.479 -2.966 1.00 0.00 H new ATOM 1672 N SER A 121 0.272 8.161 -4.790 1.00 0.00 N ATOM 1673 CA SER A 121 1.187 9.067 -5.485 1.00 0.00 C ATOM 1674 C SER A 121 1.585 10.261 -4.616 1.00 0.00 C ATOM 1675 O SER A 121 2.763 10.600 -4.511 1.00 0.00 O ATOM 1676 CB SER A 121 0.538 9.567 -6.776 1.00 0.00 C ATOM 1677 OG SER A 121 0.243 8.490 -7.651 1.00 0.00 O ATOM 0 H SER A 121 -0.581 7.961 -5.312 1.00 0.00 H new ATOM 0 HA SER A 121 2.093 8.506 -5.713 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.378 10.109 -6.540 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.206 10.271 -7.273 1.00 0.00 H new ATOM 0 HG SER A 121 -0.539 8.002 -7.317 1.00 0.00 H new ATOM 1683 N SER A 122 0.609 10.886 -3.996 1.00 0.00 N ATOM 1684 CA SER A 122 0.864 12.048 -3.181 1.00 0.00 C ATOM 1685 C SER A 122 1.368 11.670 -1.786 1.00 0.00 C ATOM 1686 O SER A 122 2.323 12.260 -1.279 1.00 0.00 O ATOM 1687 CB SER A 122 -0.402 12.896 -3.088 1.00 0.00 C ATOM 1688 OG SER A 122 -1.535 12.078 -2.825 1.00 0.00 O ATOM 0 H SER A 122 -0.371 10.606 -4.042 1.00 0.00 H new ATOM 0 HA SER A 122 1.654 12.629 -3.656 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.292 13.638 -2.298 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.550 13.442 -4.020 1.00 0.00 H new ATOM 0 HG SER A 122 -2.337 12.639 -2.767 1.00 0.00 H new ATOM 1694 N ALA A 123 0.745 10.666 -1.189 1.00 0.00 N ATOM 1695 CA ALA A 123 1.062 10.267 0.174 1.00 0.00 C ATOM 1696 C ALA A 123 2.341 9.419 0.280 1.00 0.00 C ATOM 1697 O ALA A 123 3.370 9.896 0.749 1.00 0.00 O ATOM 1698 CB ALA A 123 -0.115 9.528 0.786 1.00 0.00 C ATOM 0 H ALA A 123 0.013 10.109 -1.630 1.00 0.00 H new ATOM 0 HA ALA A 123 1.256 11.183 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 123 0.131 9.233 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.988 10.180 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.334 8.639 0.194 1.00 0.00 H new ATOM 1704 N ALA A 124 2.273 8.171 -0.163 1.00 0.00 N ATOM 1705 CA ALA A 124 3.396 7.239 -0.010 1.00 0.00 C ATOM 1706 C ALA A 124 4.557 7.589 -0.919 1.00 0.00 C ATOM 1707 O ALA A 124 5.697 7.688 -0.468 1.00 0.00 O ATOM 1708 CB ALA A 124 2.946 5.813 -0.261 1.00 0.00 C ATOM 0 H ALA A 124 1.457 7.776 -0.631 1.00 0.00 H new ATOM 0 HA ALA A 124 3.746 7.327 1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.793 5.138 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.167 5.546 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.554 5.728 -1.274 1.00 0.00 H new ATOM 1714 N GLN A 125 4.265 7.780 -2.187 1.00 0.00 N ATOM 1715 CA GLN A 125 5.283 8.098 -3.169 1.00 0.00 C ATOM 1716 C GLN A 125 5.921 9.457 -2.869 1.00 0.00 C ATOM 1717 O GLN A 125 7.129 9.648 -3.049 1.00 0.00 O ATOM 1718 CB GLN A 125 4.662 8.103 -4.570 1.00 0.00 C ATOM 1719 CG GLN A 125 5.631 8.450 -5.688 1.00 0.00 C ATOM 1720 CD GLN A 125 4.933 8.647 -7.023 1.00 0.00 C ATOM 1721 OE1 GLN A 125 3.907 8.028 -7.302 1.00 0.00 O ATOM 1722 NE2 GLN A 125 5.477 9.522 -7.848 1.00 0.00 N ATOM 0 H GLN A 125 3.320 7.720 -2.567 1.00 0.00 H new ATOM 0 HA GLN A 125 6.064 7.339 -3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 125 4.236 7.120 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.838 8.817 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 125 6.171 9.360 -5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 125 6.371 7.655 -5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 125 6.329 10.015 -7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.046 9.705 -8.754 1.00 0.00 H new ATOM 1731 N GLY A 126 5.111 10.383 -2.382 1.00 0.00 N ATOM 1732 CA GLY A 126 5.586 11.722 -2.123 1.00 0.00 C ATOM 1733 C GLY A 126 6.247 11.909 -0.763 1.00 0.00 C ATOM 1734 O GLY A 126 7.381 12.386 -0.686 1.00 0.00 O ATOM 0 H GLY A 126 4.127 10.228 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 126 6.299 11.997 -2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.747 12.413 -2.202 1.00 0.00 H new ATOM 1738 N LEU A 127 5.557 11.530 0.307 1.00 0.00 N ATOM 1739 CA LEU A 127 6.056 11.798 1.660 1.00 0.00 C ATOM 1740 C LEU A 127 6.600 10.551 2.343 1.00 0.00 C ATOM 1741 O LEU A 127 7.431 10.646 3.252 1.00 0.00 O ATOM 1742 CB LEU A 127 4.937 12.395 2.521 1.00 0.00 C ATOM 1743 CG LEU A 127 4.262 13.650 1.964 1.00 0.00 C ATOM 1744 CD1 LEU A 127 3.163 14.128 2.904 1.00 0.00 C ATOM 1745 CD2 LEU A 127 5.284 14.751 1.738 1.00 0.00 C ATOM 0 H LEU A 127 4.662 11.042 0.271 1.00 0.00 H new ATOM 0 HA LEU A 127 6.879 12.505 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.174 11.631 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.347 12.632 3.503 1.00 0.00 H new ATOM 0 HG LEU A 127 3.810 13.398 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.694 15.021 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 127 2.414 13.344 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 127 3.593 14.361 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 127 4.785 15.635 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.766 15.000 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.036 14.409 1.026 1.00 0.00 H new ATOM 1757 N GLY A 128 6.142 9.397 1.918 1.00 0.00 N ATOM 1758 CA GLY A 128 6.558 8.170 2.559 1.00 0.00 C ATOM 1759 C GLY A 128 5.701 7.878 3.774 1.00 0.00 C ATOM 1760 O GLY A 128 5.969 8.374 4.867 1.00 0.00 O ATOM 0 H GLY A 128 5.490 9.281 1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 128 6.487 7.343 1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 128 7.604 8.247 2.856 1.00 0.00 H new ATOM 1764 N ILE A 129 4.674 7.083 3.577 1.00 0.00 N ATOM 1765 CA ILE A 129 3.717 6.774 4.631 1.00 0.00 C ATOM 1766 C ILE A 129 4.251 5.741 5.617 1.00 0.00 C ATOM 1767 O ILE A 129 4.917 4.777 5.235 1.00 0.00 O ATOM 1768 CB ILE A 129 2.375 6.294 4.026 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.684 7.450 3.305 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.458 5.691 5.084 1.00 0.00 C ATOM 1771 CD1 ILE A 129 1.322 8.618 4.211 1.00 0.00 C ATOM 0 H ILE A 129 4.473 6.630 2.686 1.00 0.00 H new ATOM 0 HA ILE A 129 3.550 7.696 5.187 1.00 0.00 H new ATOM 0 HB ILE A 129 2.595 5.506 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 129 2.336 7.810 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 129 0.777 7.078 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.528 5.367 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.949 4.835 5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 129 1.240 6.439 5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.836 9.397 3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.644 8.276 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 129 2.227 9.019 4.667 1.00 0.00 H new ATOM 1783 N ASN A 130 3.937 5.959 6.886 1.00 0.00 N ATOM 1784 CA ASN A 130 4.350 5.075 7.958 1.00 0.00 C ATOM 1785 C ASN A 130 3.123 4.583 8.722 1.00 0.00 C ATOM 1786 O ASN A 130 2.096 5.257 8.761 1.00 0.00 O ATOM 1787 CB ASN A 130 5.290 5.815 8.915 1.00 0.00 C ATOM 1788 CG ASN A 130 5.864 4.914 9.998 1.00 0.00 C ATOM 1789 OD1 ASN A 130 6.056 3.711 9.792 1.00 0.00 O ATOM 1790 ND2 ASN A 130 6.137 5.485 11.153 1.00 0.00 N ATOM 0 H ASN A 130 3.386 6.758 7.199 1.00 0.00 H new ATOM 0 HA ASN A 130 4.876 4.221 7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 130 6.108 6.255 8.344 1.00 0.00 H new ATOM 0 HB3 ASN A 130 4.749 6.638 9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 130 6.522 4.930 11.918 1.00 0.00 H new ATOM 0 HD22 ASN A 130 5.964 6.482 11.283 1.00 0.00 H new ATOM 1797 N VAL A 131 3.232 3.406 9.306 1.00 0.00 N ATOM 1798 CA VAL A 131 2.164 2.838 10.103 1.00 0.00 C ATOM 1799 C VAL A 131 2.560 2.887 11.587 1.00 0.00 C ATOM 1800 O VAL A 131 3.737 3.063 11.908 1.00 0.00 O ATOM 1801 CB VAL A 131 1.854 1.367 9.671 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.675 0.784 10.445 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.576 1.302 8.185 1.00 0.00 C ATOM 0 H VAL A 131 4.063 2.817 9.241 1.00 0.00 H new ATOM 0 HA VAL A 131 1.259 3.425 9.945 1.00 0.00 H new ATOM 0 HB VAL A 131 2.735 0.768 9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.493 -0.239 10.115 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.903 0.786 11.511 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.214 1.388 10.263 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.362 0.272 7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.717 1.930 7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.448 1.657 7.636 1.00 0.00 H new ATOM 1813 N ASP A 132 1.584 2.730 12.475 1.00 0.00 N ATOM 1814 CA ASP A 132 1.824 2.768 13.916 1.00 0.00 C ATOM 1815 C ASP A 132 2.829 1.692 14.340 1.00 0.00 C ATOM 1816 O ASP A 132 3.046 0.702 13.620 1.00 0.00 O ATOM 1817 CB ASP A 132 0.497 2.588 14.670 1.00 0.00 C ATOM 1818 CG ASP A 132 0.658 2.628 16.175 1.00 0.00 C ATOM 1819 OD1 ASP A 132 0.998 3.702 16.711 1.00 0.00 O ATOM 1820 OD2 ASP A 132 0.457 1.590 16.827 1.00 0.00 O ATOM 0 H ASP A 132 0.609 2.574 12.220 1.00 0.00 H new ATOM 0 HA ASP A 132 2.251 3.739 14.167 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -0.197 3.371 14.364 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.050 1.636 14.384 1.00 0.00 H new ATOM 1825 N SER A 133 3.427 1.881 15.505 1.00 0.00 N ATOM 1826 CA SER A 133 4.456 0.987 16.018 1.00 0.00 C ATOM 1827 C SER A 133 3.887 -0.343 16.535 1.00 0.00 C ATOM 1828 O SER A 133 4.454 -0.956 17.439 1.00 0.00 O ATOM 1829 CB SER A 133 5.230 1.684 17.125 1.00 0.00 C ATOM 1830 OG SER A 133 5.692 2.956 16.700 1.00 0.00 O ATOM 0 H SER A 133 3.212 2.662 16.125 1.00 0.00 H new ATOM 0 HA SER A 133 5.118 0.746 15.187 1.00 0.00 H new ATOM 0 HB2 SER A 133 4.593 1.799 18.002 1.00 0.00 H new ATOM 0 HB3 SER A 133 6.077 1.067 17.425 1.00 0.00 H new ATOM 0 HG SER A 133 6.186 3.385 17.430 1.00 0.00 H new ATOM 1836 N GLY A 134 2.786 -0.786 15.958 1.00 0.00 N ATOM 1837 CA GLY A 134 2.227 -2.057 16.337 1.00 0.00 C ATOM 1838 C GLY A 134 3.081 -3.193 15.819 1.00 0.00 C ATOM 1839 O GLY A 134 3.971 -3.681 16.516 1.00 0.00 O ATOM 0 H GLY A 134 2.270 -0.287 15.234 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.152 -2.118 17.423 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.215 -2.147 15.942 1.00 0.00 H new ATOM 1843 N SER A 135 2.819 -3.612 14.604 1.00 0.00 N ATOM 1844 CA SER A 135 3.601 -4.660 13.987 1.00 0.00 C ATOM 1845 C SER A 135 4.523 -4.084 12.922 1.00 0.00 C ATOM 1846 O SER A 135 5.719 -4.335 12.927 1.00 0.00 O ATOM 1847 CB SER A 135 2.677 -5.713 13.365 1.00 0.00 C ATOM 1848 OG SER A 135 3.388 -6.900 13.030 1.00 0.00 O ATOM 0 H SER A 135 2.068 -3.243 14.020 1.00 0.00 H new ATOM 0 HA SER A 135 4.211 -5.132 14.757 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.875 -5.953 14.063 1.00 0.00 H new ATOM 0 HB3 SER A 135 2.208 -5.304 12.470 1.00 0.00 H new ATOM 0 HG SER A 135 4.346 -6.701 12.969 1.00 0.00 H new ATOM 1854 N VAL A 136 3.954 -3.253 12.055 1.00 0.00 N ATOM 1855 CA VAL A 136 4.649 -2.737 10.882 1.00 0.00 C ATOM 1856 C VAL A 136 5.987 -2.110 11.217 1.00 0.00 C ATOM 1857 O VAL A 136 7.029 -2.602 10.798 1.00 0.00 O ATOM 1858 CB VAL A 136 3.783 -1.704 10.149 1.00 0.00 C ATOM 1859 CG1 VAL A 136 4.466 -1.232 8.877 1.00 0.00 C ATOM 1860 CG2 VAL A 136 2.418 -2.285 9.849 1.00 0.00 C ATOM 0 H VAL A 136 2.995 -2.918 12.147 1.00 0.00 H new ATOM 0 HA VAL A 136 4.834 -3.597 10.239 1.00 0.00 H new ATOM 0 HB VAL A 136 3.653 -0.837 10.797 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.833 -0.500 8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.423 -0.774 9.126 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.632 -2.083 8.216 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.813 -1.542 9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.529 -3.168 9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.928 -2.563 10.782 1.00 0.00 H new ATOM 1870 N GLN A 137 5.956 -1.046 11.994 1.00 0.00 N ATOM 1871 CA GLN A 137 7.162 -0.308 12.318 1.00 0.00 C ATOM 1872 C GLN A 137 8.152 -1.174 13.090 1.00 0.00 C ATOM 1873 O GLN A 137 9.349 -1.143 12.823 1.00 0.00 O ATOM 1874 CB GLN A 137 6.806 0.930 13.108 1.00 0.00 C ATOM 1875 CG GLN A 137 7.884 1.993 13.110 1.00 0.00 C ATOM 1876 CD GLN A 137 7.396 3.296 13.703 1.00 0.00 C ATOM 1877 OE1 GLN A 137 6.113 3.580 13.538 1.00 0.00 O flip ATOM 1878 NE2 GLN A 137 8.166 4.048 14.296 1.00 0.00 N flip ATOM 0 H GLN A 137 5.106 -0.671 12.415 1.00 0.00 H new ATOM 0 HA GLN A 137 7.645 -0.011 11.387 1.00 0.00 H new ATOM 0 HB2 GLN A 137 5.890 1.357 12.700 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.593 0.642 14.137 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.744 1.636 13.677 1.00 0.00 H new ATOM 0 HG3 GLN A 137 8.225 2.165 12.089 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.148 3.793 14.402 1.00 0.00 H new ATOM 0 HE22 GLN A 137 7.823 4.928 14.682 1.00 0.00 H new ATOM 1887 N SER A 138 7.637 -1.960 14.022 1.00 0.00 N ATOM 1888 CA SER A 138 8.461 -2.835 14.841 1.00 0.00 C ATOM 1889 C SER A 138 9.223 -3.841 13.967 1.00 0.00 C ATOM 1890 O SER A 138 10.427 -4.076 14.161 1.00 0.00 O ATOM 1891 CB SER A 138 7.568 -3.574 15.835 1.00 0.00 C ATOM 1892 OG SER A 138 6.597 -2.693 16.387 1.00 0.00 O ATOM 0 H SER A 138 6.640 -2.010 14.232 1.00 0.00 H new ATOM 0 HA SER A 138 9.194 -2.234 15.379 1.00 0.00 H new ATOM 0 HB2 SER A 138 7.070 -4.406 15.336 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.177 -3.999 16.633 1.00 0.00 H new ATOM 0 HG SER A 138 5.717 -3.124 16.370 1.00 0.00 H new ATOM 1898 N ASP A 139 8.522 -4.415 13.000 1.00 0.00 N ATOM 1899 CA ASP A 139 9.110 -5.397 12.104 1.00 0.00 C ATOM 1900 C ASP A 139 10.040 -4.756 11.094 1.00 0.00 C ATOM 1901 O ASP A 139 11.186 -5.166 10.965 1.00 0.00 O ATOM 1902 CB ASP A 139 8.028 -6.213 11.385 1.00 0.00 C ATOM 1903 CG ASP A 139 7.346 -7.218 12.296 1.00 0.00 C ATOM 1904 OD1 ASP A 139 7.998 -8.209 12.686 1.00 0.00 O ATOM 1905 OD2 ASP A 139 6.151 -7.028 12.623 1.00 0.00 O ATOM 0 H ASP A 139 7.539 -4.215 12.816 1.00 0.00 H new ATOM 0 HA ASP A 139 9.701 -6.072 12.722 1.00 0.00 H new ATOM 0 HB2 ASP A 139 7.280 -5.534 10.976 1.00 0.00 H new ATOM 0 HB3 ASP A 139 8.476 -6.739 10.542 1.00 0.00 H new ATOM 1910 N ILE A 140 9.561 -3.733 10.387 1.00 0.00 N ATOM 1911 CA ILE A 140 10.368 -3.092 9.346 1.00 0.00 C ATOM 1912 C ILE A 140 11.643 -2.461 9.914 1.00 0.00 C ATOM 1913 O ILE A 140 12.681 -2.475 9.261 1.00 0.00 O ATOM 1914 CB ILE A 140 9.575 -2.037 8.524 1.00 0.00 C ATOM 1915 CG1 ILE A 140 9.136 -0.864 9.407 1.00 0.00 C ATOM 1916 CG2 ILE A 140 8.369 -2.688 7.852 1.00 0.00 C ATOM 1917 CD1 ILE A 140 8.406 0.235 8.657 1.00 0.00 C ATOM 0 H ILE A 140 8.631 -3.333 10.512 1.00 0.00 H new ATOM 0 HA ILE A 140 10.649 -3.896 8.666 1.00 0.00 H new ATOM 0 HB ILE A 140 10.234 -1.642 7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.489 -1.241 10.199 1.00 0.00 H new ATOM 0 HG13 ILE A 140 10.015 -0.438 9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.823 -1.938 7.280 1.00 0.00 H new ATOM 0 HG22 ILE A 140 8.708 -3.479 7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.714 -3.112 8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 140 8.129 1.028 9.352 1.00 0.00 H new ATOM 0 HD12 ILE A 140 9.057 0.642 7.883 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.507 -0.174 8.196 1.00 0.00 H new ATOM 1929 N SER A 141 11.566 -1.934 11.134 1.00 0.00 N ATOM 1930 CA SER A 141 12.722 -1.328 11.777 1.00 0.00 C ATOM 1931 C SER A 141 13.806 -2.374 12.040 1.00 0.00 C ATOM 1932 O SER A 141 14.976 -2.163 11.732 1.00 0.00 O ATOM 1933 CB SER A 141 12.313 -0.653 13.087 1.00 0.00 C ATOM 1934 OG SER A 141 13.428 -0.078 13.736 1.00 0.00 O ATOM 0 H SER A 141 10.714 -1.916 11.694 1.00 0.00 H new ATOM 0 HA SER A 141 13.127 -0.572 11.104 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.569 0.118 12.885 1.00 0.00 H new ATOM 0 HB3 SER A 141 11.844 -1.384 13.745 1.00 0.00 H new ATOM 0 HG SER A 141 13.138 0.348 14.570 1.00 0.00 H new ATOM 1940 N SER A 142 13.406 -3.499 12.603 1.00 0.00 N ATOM 1941 CA SER A 142 14.336 -4.574 12.900 1.00 0.00 C ATOM 1942 C SER A 142 14.801 -5.245 11.611 1.00 0.00 C ATOM 1943 O SER A 142 15.953 -5.663 11.486 1.00 0.00 O ATOM 1944 CB SER A 142 13.661 -5.601 13.811 1.00 0.00 C ATOM 1945 OG SER A 142 13.082 -4.968 14.945 1.00 0.00 O ATOM 0 H SER A 142 12.439 -3.693 12.865 1.00 0.00 H new ATOM 0 HA SER A 142 15.206 -4.159 13.408 1.00 0.00 H new ATOM 0 HB2 SER A 142 12.891 -6.136 13.255 1.00 0.00 H new ATOM 0 HB3 SER A 142 14.392 -6.341 14.136 1.00 0.00 H new ATOM 0 HG SER A 142 12.177 -4.665 14.724 1.00 0.00 H new ATOM 1951 N SER A 143 13.896 -5.320 10.657 1.00 0.00 N ATOM 1952 CA SER A 143 14.153 -5.957 9.389 1.00 0.00 C ATOM 1953 C SER A 143 15.173 -5.179 8.557 1.00 0.00 C ATOM 1954 O SER A 143 16.209 -5.713 8.201 1.00 0.00 O ATOM 1955 CB SER A 143 12.842 -6.107 8.616 1.00 0.00 C ATOM 1956 OG SER A 143 13.022 -6.813 7.405 1.00 0.00 O ATOM 0 H SER A 143 12.955 -4.936 10.744 1.00 0.00 H new ATOM 0 HA SER A 143 14.578 -6.941 9.586 1.00 0.00 H new ATOM 0 HB2 SER A 143 12.113 -6.629 9.236 1.00 0.00 H new ATOM 0 HB3 SER A 143 12.431 -5.120 8.403 1.00 0.00 H new ATOM 0 HG SER A 143 12.393 -7.564 7.367 1.00 0.00 H new ATOM 1962 N SER A 144 14.884 -3.903 8.297 1.00 0.00 N ATOM 1963 CA SER A 144 15.716 -3.061 7.419 1.00 0.00 C ATOM 1964 C SER A 144 17.203 -3.087 7.795 1.00 0.00 C ATOM 1965 O SER A 144 18.073 -2.946 6.932 1.00 0.00 O ATOM 1966 CB SER A 144 15.185 -1.622 7.410 1.00 0.00 C ATOM 1967 OG SER A 144 15.036 -1.123 8.734 1.00 0.00 O ATOM 0 H SER A 144 14.073 -3.421 8.684 1.00 0.00 H new ATOM 0 HA SER A 144 15.646 -3.481 6.416 1.00 0.00 H new ATOM 0 HB2 SER A 144 15.869 -0.982 6.852 1.00 0.00 H new ATOM 0 HB3 SER A 144 14.225 -1.589 6.895 1.00 0.00 H new ATOM 0 HG SER A 144 14.212 -1.479 9.127 1.00 0.00 H new