USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=33 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= 0.0552 K(o=0.13,f=-1) USER MOD Set 1.2: A 133 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 137 GLN :FLIP amide:sc= 0.072 F(o=-1,f=0.13) USER MOD Set 2.1: A 101 ASN : amide:sc= -1.01 K(o=-1,f=-4.4!) USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 41 GLN : amide:sc= -0.115 K(o=0.052,f=-4.5!) USER MOD Set 3.2: A 49 GLN : amide:sc= 0.167 K(o=0.052,f=-1.6) USER MOD Set 4.1: A 29 SER OG : rot 147:sc= 1.2 USER MOD Set 4.2: A 143 SER OG : rot 140:sc= -0.919 USER MOD Set 5.1: A 28 THR OG1 : rot -139:sc= 1.22 USER MOD Set 5.2: A 144 SER OG : rot 80:sc= 1.74 USER MOD Set 6.1: A 23 ASN : amide:sc= -0.517 K(o=0.25,f=-5.3!) USER MOD Set 6.2: A 30 THR OG1 : rot 112:sc= 0.767 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00655 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.187 K(o=0.19,f=-3.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0296 USER MOD Single : A 40 SER OG : rot 150:sc= 0.325 USER MOD Single : A 42 GLN : amide:sc= -0.115 K(o=-0.12,f=-0.78) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.321 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.39! C(o=-4.2!,f=-1.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0155 X(o=-0.016,f=-0.21) USER MOD Single : A 65 ASN : amide:sc= -6.1! C(o=-6.1!,f=-13!) USER MOD Single : A 72 GLN : amide:sc= 1.06 K(o=1.1,f=-0.61) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.85) USER MOD Single : A 91 SER OG : rot -93:sc= 1.24 USER MOD Single : A 92 SER OG : rot -120:sc= -0.13 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.661 F(o=-1.4!,f=-0.66) USER MOD Single : A 104 ASN : amide:sc= -2.26! C(o=-2.3!,f=-4.6!) USER MOD Single : A 107 THR OG1 : rot 68:sc= 1.33 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -2.04! C(o=-2!,f=-2.2!) USER MOD Single : A 121 SER OG : rot 74:sc= 1.26 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot -160:sc= 1.27 USER MOD Single : A 141 SER OG : rot -97:sc= 1.26 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -1.908 -6.307 -14.549 1.00 0.00 N ATOM 124 CA GLY A 12 -1.174 -7.500 -14.933 1.00 0.00 C ATOM 125 C GLY A 12 0.304 -7.243 -15.152 1.00 0.00 C ATOM 126 O GLY A 12 1.145 -8.017 -14.694 1.00 0.00 O ATOM 0 HA2 GLY A 12 -1.294 -8.258 -14.159 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.606 -7.907 -15.848 1.00 0.00 H new ATOM 130 N ALA A 13 0.629 -6.159 -15.845 1.00 0.00 N ATOM 131 CA ALA A 13 2.027 -5.817 -16.121 1.00 0.00 C ATOM 132 C ALA A 13 2.789 -5.547 -14.833 1.00 0.00 C ATOM 133 O ALA A 13 3.976 -5.857 -14.721 1.00 0.00 O ATOM 134 CB ALA A 13 2.115 -4.615 -17.054 1.00 0.00 C ATOM 0 H ALA A 13 -0.050 -5.501 -16.227 1.00 0.00 H new ATOM 0 HA ALA A 13 2.488 -6.672 -16.615 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.162 -4.379 -17.245 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.618 -4.848 -17.996 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.629 -3.757 -16.589 1.00 0.00 H new ATOM 140 N SER A 14 2.108 -4.971 -13.862 1.00 0.00 N ATOM 141 CA SER A 14 2.714 -4.689 -12.589 1.00 0.00 C ATOM 142 C SER A 14 2.848 -5.958 -11.744 1.00 0.00 C ATOM 143 O SER A 14 3.764 -6.073 -10.947 1.00 0.00 O ATOM 144 CB SER A 14 1.911 -3.615 -11.841 1.00 0.00 C ATOM 145 OG SER A 14 0.522 -3.918 -11.828 1.00 0.00 O ATOM 0 H SER A 14 1.130 -4.690 -13.938 1.00 0.00 H new ATOM 0 HA SER A 14 3.719 -4.307 -12.769 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.276 -3.533 -10.817 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.069 -2.646 -12.314 1.00 0.00 H new ATOM 0 HG SER A 14 0.039 -3.217 -11.343 1.00 0.00 H new ATOM 151 N ALA A 15 1.950 -6.926 -11.969 1.00 0.00 N ATOM 152 CA ALA A 15 1.915 -8.173 -11.184 1.00 0.00 C ATOM 153 C ALA A 15 3.233 -8.951 -11.245 1.00 0.00 C ATOM 154 O ALA A 15 3.529 -9.754 -10.362 1.00 0.00 O ATOM 155 CB ALA A 15 0.758 -9.052 -11.638 1.00 0.00 C ATOM 0 H ALA A 15 1.233 -6.871 -12.692 1.00 0.00 H new ATOM 0 HA ALA A 15 1.766 -7.887 -10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.745 -9.969 -11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.182 -8.518 -11.498 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.881 -9.299 -12.692 1.00 0.00 H new ATOM 161 N GLY A 16 4.014 -8.721 -12.280 1.00 0.00 N ATOM 162 CA GLY A 16 5.283 -9.401 -12.394 1.00 0.00 C ATOM 163 C GLY A 16 6.407 -8.655 -11.697 1.00 0.00 C ATOM 164 O GLY A 16 7.236 -9.256 -11.016 1.00 0.00 O ATOM 0 H GLY A 16 3.796 -8.079 -13.042 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.196 -10.400 -11.968 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.532 -9.525 -13.448 1.00 0.00 H new ATOM 168 N LEU A 17 6.420 -7.341 -11.854 1.00 0.00 N ATOM 169 CA LEU A 17 7.493 -6.503 -11.317 1.00 0.00 C ATOM 170 C LEU A 17 7.283 -6.117 -9.846 1.00 0.00 C ATOM 171 O LEU A 17 8.241 -5.803 -9.154 1.00 0.00 O ATOM 172 CB LEU A 17 7.658 -5.243 -12.189 1.00 0.00 C ATOM 173 CG LEU A 17 6.404 -4.360 -12.355 1.00 0.00 C ATOM 174 CD1 LEU A 17 6.242 -3.385 -11.189 1.00 0.00 C ATOM 175 CD2 LEU A 17 6.440 -3.615 -13.680 1.00 0.00 C ATOM 0 H LEU A 17 5.696 -6.824 -12.352 1.00 0.00 H new ATOM 0 HA LEU A 17 8.406 -7.097 -11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.453 -4.632 -11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.992 -5.553 -13.179 1.00 0.00 H new ATOM 0 HG LEU A 17 5.536 -5.020 -12.354 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.348 -2.780 -11.342 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.147 -3.944 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.115 -2.735 -11.135 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.546 -2.999 -13.775 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.325 -2.979 -13.716 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.475 -4.332 -14.500 1.00 0.00 H new ATOM 187 N ILE A 18 6.028 -6.156 -9.384 1.00 0.00 N ATOM 188 CA ILE A 18 5.658 -5.720 -8.017 1.00 0.00 C ATOM 189 C ILE A 18 6.660 -6.133 -6.935 1.00 0.00 C ATOM 190 O ILE A 18 7.178 -5.292 -6.215 1.00 0.00 O ATOM 191 CB ILE A 18 4.250 -6.214 -7.606 1.00 0.00 C ATOM 192 CG1 ILE A 18 4.017 -7.660 -8.062 1.00 0.00 C ATOM 193 CG2 ILE A 18 3.171 -5.286 -8.132 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.691 -8.237 -7.621 1.00 0.00 C ATOM 0 H ILE A 18 5.238 -6.488 -9.938 1.00 0.00 H new ATOM 0 HA ILE A 18 5.665 -4.632 -8.078 1.00 0.00 H new ATOM 0 HB ILE A 18 4.194 -6.200 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.076 -7.701 -9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.821 -8.286 -7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.192 -5.657 -7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.322 -4.286 -7.726 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.223 -5.247 -9.220 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.602 -9.261 -7.982 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.635 -8.230 -6.532 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.879 -7.636 -8.030 1.00 0.00 H new ATOM 206 N SER A 19 6.935 -7.406 -6.838 1.00 0.00 N ATOM 207 CA SER A 19 7.805 -7.908 -5.804 1.00 0.00 C ATOM 208 C SER A 19 9.285 -7.814 -6.213 1.00 0.00 C ATOM 209 O SER A 19 10.167 -7.815 -5.368 1.00 0.00 O ATOM 210 CB SER A 19 7.418 -9.352 -5.459 1.00 0.00 C ATOM 211 OG SER A 19 8.033 -9.787 -4.263 1.00 0.00 O ATOM 0 H SER A 19 6.567 -8.120 -7.466 1.00 0.00 H new ATOM 0 HA SER A 19 7.681 -7.286 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.335 -9.424 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.707 -10.012 -6.277 1.00 0.00 H new ATOM 0 HG SER A 19 7.763 -10.710 -4.073 1.00 0.00 H new ATOM 217 N ARG A 20 9.538 -7.698 -7.514 1.00 0.00 N ATOM 218 CA ARG A 20 10.904 -7.711 -8.040 1.00 0.00 C ATOM 219 C ARG A 20 11.600 -6.350 -7.968 1.00 0.00 C ATOM 220 O ARG A 20 12.820 -6.291 -7.891 1.00 0.00 O ATOM 221 CB ARG A 20 10.913 -8.193 -9.487 1.00 0.00 C ATOM 222 CG ARG A 20 10.446 -9.621 -9.673 1.00 0.00 C ATOM 223 CD ARG A 20 10.542 -10.033 -11.130 1.00 0.00 C ATOM 224 NE ARG A 20 10.144 -11.420 -11.330 1.00 0.00 N ATOM 225 CZ ARG A 20 10.690 -12.238 -12.227 1.00 0.00 C ATOM 226 NH1 ARG A 20 11.653 -11.804 -13.032 1.00 0.00 N ATOM 227 NH2 ARG A 20 10.272 -13.491 -12.320 1.00 0.00 N ATOM 0 H ARG A 20 8.815 -7.594 -8.226 1.00 0.00 H new ATOM 0 HA ARG A 20 11.461 -8.397 -7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.277 -7.535 -10.080 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.925 -8.100 -9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.052 -10.289 -9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.416 -9.719 -9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.908 -9.383 -11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.565 -9.895 -11.480 1.00 0.00 H new ATOM 0 HE ARG A 20 9.396 -11.789 -10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.978 -10.839 -12.965 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.068 -12.435 -13.717 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.532 -13.829 -11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.690 -14.118 -13.007 1.00 0.00 H new ATOM 241 N VAL A 21 10.838 -5.265 -8.001 1.00 0.00 N ATOM 242 CA VAL A 21 11.446 -3.931 -8.056 1.00 0.00 C ATOM 243 C VAL A 21 12.129 -3.511 -6.730 1.00 0.00 C ATOM 244 O VAL A 21 13.250 -3.921 -6.444 1.00 0.00 O ATOM 245 CB VAL A 21 10.439 -2.834 -8.514 1.00 0.00 C ATOM 246 CG1 VAL A 21 11.147 -1.510 -8.724 1.00 0.00 C ATOM 247 CG2 VAL A 21 9.728 -3.243 -9.789 1.00 0.00 C ATOM 0 H VAL A 21 9.818 -5.274 -7.991 1.00 0.00 H new ATOM 0 HA VAL A 21 12.227 -4.014 -8.811 1.00 0.00 H new ATOM 0 HB VAL A 21 9.697 -2.718 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.425 -0.758 -9.044 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.611 -1.194 -7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.914 -1.625 -9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.032 -2.458 -10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.461 -3.396 -10.581 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.180 -4.170 -9.619 1.00 0.00 H new ATOM 257 N ALA A 22 11.455 -2.692 -5.938 1.00 0.00 N ATOM 258 CA ALA A 22 12.038 -2.172 -4.705 1.00 0.00 C ATOM 259 C ALA A 22 11.996 -3.180 -3.573 1.00 0.00 C ATOM 260 O ALA A 22 12.943 -3.299 -2.796 1.00 0.00 O ATOM 261 CB ALA A 22 11.330 -0.896 -4.289 1.00 0.00 C ATOM 0 H ALA A 22 10.505 -2.372 -6.124 1.00 0.00 H new ATOM 0 HA ALA A 22 13.087 -1.961 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.774 -0.517 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.434 -0.149 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.273 -1.104 -4.124 1.00 0.00 H new ATOM 267 N ASN A 23 10.910 -3.909 -3.493 1.00 0.00 N ATOM 268 CA ASN A 23 10.697 -4.826 -2.389 1.00 0.00 C ATOM 269 C ASN A 23 11.607 -6.052 -2.431 1.00 0.00 C ATOM 270 O ASN A 23 11.885 -6.644 -1.395 1.00 0.00 O ATOM 271 CB ASN A 23 9.221 -5.195 -2.267 1.00 0.00 C ATOM 272 CG ASN A 23 8.505 -4.303 -1.253 1.00 0.00 C ATOM 273 OD1 ASN A 23 8.352 -4.664 -0.085 1.00 0.00 O ATOM 274 ND2 ASN A 23 8.101 -3.114 -1.683 1.00 0.00 N ATOM 0 H ASN A 23 10.155 -3.888 -4.179 1.00 0.00 H new ATOM 0 HA ASN A 23 10.985 -4.297 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.739 -5.101 -3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.129 -6.238 -1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.647 -2.466 -1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.244 -2.848 -2.657 1.00 0.00 H new ATOM 281 N ALA A 24 12.087 -6.421 -3.613 1.00 0.00 N ATOM 282 CA ALA A 24 13.020 -7.546 -3.724 1.00 0.00 C ATOM 283 C ALA A 24 14.327 -7.209 -3.027 1.00 0.00 C ATOM 284 O ALA A 24 14.945 -8.059 -2.387 1.00 0.00 O ATOM 285 CB ALA A 24 13.280 -7.891 -5.178 1.00 0.00 C ATOM 0 H ALA A 24 11.853 -5.969 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 24 12.570 -8.413 -3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.975 -8.729 -5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.342 -8.165 -5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.710 -7.028 -5.685 1.00 0.00 H new ATOM 291 N LEU A 25 14.734 -5.952 -3.156 1.00 0.00 N ATOM 292 CA LEU A 25 15.942 -5.466 -2.520 1.00 0.00 C ATOM 293 C LEU A 25 15.674 -5.262 -1.033 1.00 0.00 C ATOM 294 O LEU A 25 16.512 -5.579 -0.192 1.00 0.00 O ATOM 295 CB LEU A 25 16.391 -4.147 -3.190 1.00 0.00 C ATOM 296 CG LEU A 25 17.842 -3.688 -2.930 1.00 0.00 C ATOM 297 CD1 LEU A 25 18.233 -2.605 -3.922 1.00 0.00 C ATOM 298 CD2 LEU A 25 18.008 -3.166 -1.509 1.00 0.00 C ATOM 0 H LEU A 25 14.236 -5.249 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 25 16.745 -6.194 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.256 -4.251 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.720 -3.354 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 25 18.495 -4.551 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.258 -2.288 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.158 -2.997 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.563 -1.752 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.040 -2.850 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.342 -2.317 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.761 -3.956 -0.800 1.00 0.00 H new ATOM 310 N ALA A 26 14.487 -4.737 -0.724 1.00 0.00 N ATOM 311 CA ALA A 26 14.082 -4.508 0.658 1.00 0.00 C ATOM 312 C ALA A 26 14.045 -5.821 1.435 1.00 0.00 C ATOM 313 O ALA A 26 14.408 -5.862 2.605 1.00 0.00 O ATOM 314 CB ALA A 26 12.721 -3.815 0.708 1.00 0.00 C ATOM 0 H ALA A 26 13.790 -4.463 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 26 14.819 -3.856 1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.434 -3.652 1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 26 12.782 -2.856 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.975 -4.442 0.220 1.00 0.00 H new ATOM 320 N ASN A 27 13.557 -6.886 0.768 1.00 0.00 N ATOM 321 CA ASN A 27 13.502 -8.256 1.330 1.00 0.00 C ATOM 322 C ASN A 27 12.779 -8.288 2.685 1.00 0.00 C ATOM 323 O ASN A 27 12.858 -9.264 3.434 1.00 0.00 O ATOM 324 CB ASN A 27 14.920 -8.807 1.473 1.00 0.00 C ATOM 325 CG ASN A 27 14.982 -10.318 1.368 1.00 0.00 C ATOM 326 OD1 ASN A 27 14.840 -11.034 2.354 1.00 0.00 O ATOM 327 ND2 ASN A 27 15.211 -10.810 0.169 1.00 0.00 N ATOM 0 H ASN A 27 13.187 -6.823 -0.181 1.00 0.00 H new ATOM 0 HA ASN A 27 12.932 -8.882 0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.554 -8.368 0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.329 -8.498 2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.276 -11.819 0.036 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.324 -10.182 -0.627 1.00 0.00 H new ATOM 334 N THR A 28 12.045 -7.233 2.955 1.00 0.00 N ATOM 335 CA THR A 28 11.364 -7.054 4.207 1.00 0.00 C ATOM 336 C THR A 28 10.110 -7.941 4.292 1.00 0.00 C ATOM 337 O THR A 28 9.656 -8.499 3.293 1.00 0.00 O ATOM 338 CB THR A 28 10.990 -5.560 4.366 1.00 0.00 C ATOM 339 OG1 THR A 28 12.152 -4.762 4.098 1.00 0.00 O ATOM 340 CG2 THR A 28 10.488 -5.246 5.769 1.00 0.00 C ATOM 0 H THR A 28 11.905 -6.466 2.298 1.00 0.00 H new ATOM 0 HA THR A 28 12.027 -7.354 5.019 1.00 0.00 H new ATOM 0 HB THR A 28 10.188 -5.335 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.195 -4.022 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.237 -4.188 5.837 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.601 -5.844 5.980 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.266 -5.482 6.495 1.00 0.00 H new ATOM 348 N SER A 29 9.573 -8.086 5.487 1.00 0.00 N ATOM 349 CA SER A 29 8.376 -8.866 5.704 1.00 0.00 C ATOM 350 C SER A 29 7.184 -8.316 4.907 1.00 0.00 C ATOM 351 O SER A 29 6.215 -9.026 4.689 1.00 0.00 O ATOM 352 CB SER A 29 8.044 -8.883 7.183 1.00 0.00 C ATOM 353 OG SER A 29 9.162 -9.288 7.948 1.00 0.00 O ATOM 0 H SER A 29 9.956 -7.665 6.334 1.00 0.00 H new ATOM 0 HA SER A 29 8.567 -9.880 5.353 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.723 -7.890 7.499 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.210 -9.561 7.364 1.00 0.00 H new ATOM 0 HG SER A 29 9.154 -8.823 8.811 1.00 0.00 H new ATOM 359 N THR A 30 7.297 -7.060 4.455 1.00 0.00 N ATOM 360 CA THR A 30 6.241 -6.366 3.698 1.00 0.00 C ATOM 361 C THR A 30 5.770 -7.160 2.475 1.00 0.00 C ATOM 362 O THR A 30 4.617 -7.061 2.063 1.00 0.00 O ATOM 363 CB THR A 30 6.741 -4.990 3.231 1.00 0.00 C ATOM 364 OG1 THR A 30 8.046 -5.129 2.639 1.00 0.00 O ATOM 365 CG2 THR A 30 6.822 -4.024 4.397 1.00 0.00 C ATOM 0 H THR A 30 8.130 -6.490 4.605 1.00 0.00 H new ATOM 0 HA THR A 30 5.394 -6.258 4.376 1.00 0.00 H new ATOM 0 HB THR A 30 6.037 -4.596 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.989 -4.951 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.178 -3.056 4.044 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.834 -3.907 4.842 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.512 -4.414 5.145 1.00 0.00 H new ATOM 373 N LEU A 31 6.674 -7.918 1.897 1.00 0.00 N ATOM 374 CA LEU A 31 6.355 -8.732 0.738 1.00 0.00 C ATOM 375 C LEU A 31 6.363 -10.206 1.104 1.00 0.00 C ATOM 376 O LEU A 31 5.792 -11.039 0.400 1.00 0.00 O ATOM 377 CB LEU A 31 7.339 -8.474 -0.426 1.00 0.00 C ATOM 378 CG LEU A 31 8.817 -8.811 -0.166 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.513 -9.182 -1.464 1.00 0.00 C ATOM 380 CD2 LEU A 31 9.530 -7.636 0.484 1.00 0.00 C ATOM 0 H LEU A 31 7.642 -7.990 2.210 1.00 0.00 H new ATOM 0 HA LEU A 31 5.356 -8.450 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.005 -9.050 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.273 -7.421 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 31 8.855 -9.663 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.558 -9.418 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.024 -10.051 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.458 -8.344 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.574 -7.896 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.477 -6.769 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.051 -7.400 1.434 1.00 0.00 H new ATOM 392 N ARG A 32 7.033 -10.520 2.202 1.00 0.00 N ATOM 393 CA ARG A 32 7.206 -11.897 2.626 1.00 0.00 C ATOM 394 C ARG A 32 5.965 -12.463 3.347 1.00 0.00 C ATOM 395 O ARG A 32 5.618 -13.630 3.148 1.00 0.00 O ATOM 396 CB ARG A 32 8.449 -12.029 3.515 1.00 0.00 C ATOM 397 CG ARG A 32 8.868 -13.469 3.772 1.00 0.00 C ATOM 398 CD ARG A 32 10.057 -13.556 4.723 1.00 0.00 C ATOM 399 NE ARG A 32 11.283 -12.952 4.173 1.00 0.00 N ATOM 400 CZ ARG A 32 12.516 -13.427 4.404 1.00 0.00 C ATOM 401 NH1 ARG A 32 12.682 -14.543 5.116 1.00 0.00 N ATOM 402 NH2 ARG A 32 13.578 -12.796 3.920 1.00 0.00 N ATOM 0 H ARG A 32 7.468 -9.833 2.818 1.00 0.00 H new ATOM 0 HA ARG A 32 7.342 -12.491 1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.277 -11.497 3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.255 -11.541 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.027 -14.022 4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.124 -13.946 2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.803 -13.059 5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.249 -14.602 4.960 1.00 0.00 H new ATOM 0 HE ARG A 32 11.189 -12.125 3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.870 -15.037 5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.621 -14.902 5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.459 -11.946 3.369 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.513 -13.161 4.098 1.00 0.00 H new ATOM 416 N THR A 33 5.293 -11.650 4.179 1.00 0.00 N ATOM 417 CA THR A 33 4.144 -12.159 4.948 1.00 0.00 C ATOM 418 C THR A 33 3.419 -11.055 5.746 1.00 0.00 C ATOM 419 O THR A 33 2.229 -11.177 6.052 1.00 0.00 O ATOM 420 CB THR A 33 4.585 -13.290 5.914 1.00 0.00 C ATOM 421 OG1 THR A 33 3.439 -13.921 6.503 1.00 0.00 O ATOM 422 CG2 THR A 33 5.495 -12.755 7.016 1.00 0.00 C ATOM 0 H THR A 33 5.516 -10.667 4.335 1.00 0.00 H new ATOM 0 HA THR A 33 3.439 -12.553 4.215 1.00 0.00 H new ATOM 0 HB THR A 33 5.142 -14.023 5.330 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.733 -14.633 7.109 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.786 -13.572 7.676 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.386 -12.314 6.570 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.963 -11.997 7.591 1.00 0.00 H new ATOM 430 N VAL A 34 4.131 -10.005 6.088 1.00 0.00 N ATOM 431 CA VAL A 34 3.552 -8.895 6.836 1.00 0.00 C ATOM 432 C VAL A 34 3.037 -7.837 5.874 1.00 0.00 C ATOM 433 O VAL A 34 3.664 -7.563 4.868 1.00 0.00 O ATOM 434 CB VAL A 34 4.587 -8.264 7.810 1.00 0.00 C ATOM 435 CG1 VAL A 34 4.031 -7.009 8.478 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.012 -9.276 8.864 1.00 0.00 C ATOM 0 H VAL A 34 5.119 -9.890 5.862 1.00 0.00 H new ATOM 0 HA VAL A 34 2.725 -9.284 7.430 1.00 0.00 H new ATOM 0 HB VAL A 34 5.460 -7.975 7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.780 -6.593 9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.780 -6.272 7.715 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.135 -7.265 9.044 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.736 -8.818 9.537 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.140 -9.596 9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.465 -10.140 8.377 1.00 0.00 H new ATOM 446 N LEU A 35 1.878 -7.267 6.185 1.00 0.00 N ATOM 447 CA LEU A 35 1.270 -6.239 5.341 1.00 0.00 C ATOM 448 C LEU A 35 2.237 -5.079 5.114 1.00 0.00 C ATOM 449 O LEU A 35 3.024 -4.730 6.000 1.00 0.00 O ATOM 450 CB LEU A 35 -0.040 -5.707 5.961 1.00 0.00 C ATOM 451 CG LEU A 35 0.101 -4.852 7.241 1.00 0.00 C ATOM 452 CD1 LEU A 35 -1.172 -4.072 7.501 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.434 -5.717 8.449 1.00 0.00 C ATOM 0 H LEU A 35 1.337 -7.499 7.018 1.00 0.00 H new ATOM 0 HA LEU A 35 1.038 -6.703 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.557 -5.112 5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.681 -6.559 6.189 1.00 0.00 H new ATOM 0 HG LEU A 35 0.922 -4.153 7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.055 -3.476 8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.374 -3.414 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.004 -4.765 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.527 -5.087 9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.361 -6.446 8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.375 -6.238 8.275 1.00 0.00 H new ATOM 465 N ARG A 36 2.178 -4.489 3.926 1.00 0.00 N ATOM 466 CA ARG A 36 3.048 -3.375 3.600 1.00 0.00 C ATOM 467 C ARG A 36 2.762 -2.188 4.514 1.00 0.00 C ATOM 468 O ARG A 36 1.653 -2.044 5.044 1.00 0.00 O ATOM 469 CB ARG A 36 2.894 -2.950 2.131 1.00 0.00 C ATOM 470 CG ARG A 36 1.599 -2.206 1.824 1.00 0.00 C ATOM 471 CD ARG A 36 1.647 -1.566 0.446 1.00 0.00 C ATOM 472 NE ARG A 36 0.508 -0.670 0.206 1.00 0.00 N ATOM 473 CZ ARG A 36 0.567 0.669 0.309 1.00 0.00 C ATOM 474 NH1 ARG A 36 1.684 1.257 0.738 1.00 0.00 N ATOM 475 NH2 ARG A 36 -0.491 1.415 -0.002 1.00 0.00 N ATOM 0 H ARG A 36 1.540 -4.764 3.179 1.00 0.00 H new ATOM 0 HA ARG A 36 4.075 -3.707 3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.737 -2.315 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.947 -3.838 1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.758 -2.897 1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.430 -1.438 2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.576 -1.005 0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.658 -2.347 -0.314 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.384 -1.090 -0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.495 0.691 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.728 2.273 0.816 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.352 0.971 -0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.440 2.431 0.078 1.00 0.00 H new ATOM 489 N THR A 37 3.749 -1.344 4.682 1.00 0.00 N ATOM 490 CA THR A 37 3.625 -0.195 5.536 1.00 0.00 C ATOM 491 C THR A 37 2.701 0.836 4.902 1.00 0.00 C ATOM 492 O THR A 37 2.999 1.389 3.839 1.00 0.00 O ATOM 493 CB THR A 37 4.998 0.437 5.798 1.00 0.00 C ATOM 494 OG1 THR A 37 5.980 -0.608 5.929 1.00 0.00 O ATOM 495 CG2 THR A 37 4.968 1.259 7.077 1.00 0.00 C ATOM 0 H THR A 37 4.659 -1.436 4.230 1.00 0.00 H new ATOM 0 HA THR A 37 3.202 -0.522 6.486 1.00 0.00 H new ATOM 0 HB THR A 37 5.253 1.091 4.964 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.860 -0.211 6.095 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.950 1.701 7.249 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.225 2.051 6.983 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.708 0.615 7.917 1.00 0.00 H new ATOM 503 N GLY A 38 1.571 1.063 5.542 1.00 0.00 N ATOM 504 CA GLY A 38 0.618 2.013 5.037 1.00 0.00 C ATOM 505 C GLY A 38 -0.274 1.405 3.989 1.00 0.00 C ATOM 506 O GLY A 38 -0.567 2.033 2.968 1.00 0.00 O ATOM 0 H GLY A 38 1.297 0.601 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.009 2.389 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.146 2.868 4.614 1.00 0.00 H new ATOM 510 N VAL A 39 -0.677 0.164 4.230 1.00 0.00 N ATOM 511 CA VAL A 39 -1.549 -0.565 3.323 1.00 0.00 C ATOM 512 C VAL A 39 -2.859 0.207 3.050 1.00 0.00 C ATOM 513 O VAL A 39 -3.325 0.989 3.882 1.00 0.00 O ATOM 514 CB VAL A 39 -1.861 -1.983 3.869 1.00 0.00 C ATOM 515 CG1 VAL A 39 -2.871 -1.941 5.009 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.325 -2.901 2.755 1.00 0.00 C ATOM 0 H VAL A 39 -0.408 -0.364 5.060 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.017 -0.668 2.377 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.935 -2.388 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.062 -2.954 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.472 -1.340 5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.802 -1.499 4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.538 -3.889 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.228 -2.494 2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.543 -2.981 2.000 1.00 0.00 H new ATOM 526 N SER A 40 -3.430 -0.024 1.879 1.00 0.00 N ATOM 527 CA SER A 40 -4.631 0.666 1.453 1.00 0.00 C ATOM 528 C SER A 40 -5.894 -0.104 1.849 1.00 0.00 C ATOM 529 O SER A 40 -5.853 -1.320 2.071 1.00 0.00 O ATOM 530 CB SER A 40 -4.582 0.860 -0.054 1.00 0.00 C ATOM 531 OG SER A 40 -3.363 1.478 -0.435 1.00 0.00 O ATOM 0 H SER A 40 -3.072 -0.695 1.199 1.00 0.00 H new ATOM 0 HA SER A 40 -4.672 1.634 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.680 -0.103 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.424 1.473 -0.375 1.00 0.00 H new ATOM 0 HG SER A 40 -3.114 1.183 -1.336 1.00 0.00 H new ATOM 537 N GLN A 41 -7.023 0.610 1.895 1.00 0.00 N ATOM 538 CA GLN A 41 -8.307 0.024 2.291 1.00 0.00 C ATOM 539 C GLN A 41 -8.817 -0.994 1.274 1.00 0.00 C ATOM 540 O GLN A 41 -9.745 -1.729 1.558 1.00 0.00 O ATOM 541 CB GLN A 41 -9.372 1.106 2.495 1.00 0.00 C ATOM 542 CG GLN A 41 -9.809 1.792 1.210 1.00 0.00 C ATOM 543 CD GLN A 41 -10.929 2.785 1.429 1.00 0.00 C ATOM 544 OE1 GLN A 41 -11.012 3.432 2.469 1.00 0.00 O ATOM 545 NE2 GLN A 41 -11.811 2.892 0.459 1.00 0.00 N ATOM 0 H GLN A 41 -7.073 1.602 1.661 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.127 -0.492 3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.244 0.658 2.971 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.985 1.858 3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.955 2.306 0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.133 1.038 0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.706 2.336 -0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.600 3.531 0.556 1.00 0.00 H new ATOM 554 N GLN A 42 -8.221 -1.017 0.088 1.00 0.00 N ATOM 555 CA GLN A 42 -8.645 -1.950 -0.959 1.00 0.00 C ATOM 556 C GLN A 42 -8.602 -3.391 -0.459 1.00 0.00 C ATOM 557 O GLN A 42 -9.559 -4.141 -0.619 1.00 0.00 O ATOM 558 CB GLN A 42 -7.776 -1.793 -2.217 1.00 0.00 C ATOM 559 CG GLN A 42 -7.944 -0.453 -2.908 1.00 0.00 C ATOM 560 CD GLN A 42 -9.365 -0.220 -3.399 1.00 0.00 C ATOM 561 OE1 GLN A 42 -10.085 -1.159 -3.715 1.00 0.00 O ATOM 562 NE2 GLN A 42 -9.768 1.036 -3.474 1.00 0.00 N ATOM 0 H GLN A 42 -7.448 -0.406 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.676 -1.710 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.729 -1.923 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.023 -2.588 -2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.667 0.344 -2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.258 -0.396 -3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.138 1.791 -3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.709 1.251 -3.804 1.00 0.00 H new ATOM 571 N ILE A 43 -7.502 -3.761 0.168 1.00 0.00 N ATOM 572 CA ILE A 43 -7.335 -5.118 0.672 1.00 0.00 C ATOM 573 C ILE A 43 -7.980 -5.296 2.053 1.00 0.00 C ATOM 574 O ILE A 43 -8.424 -6.384 2.401 1.00 0.00 O ATOM 575 CB ILE A 43 -5.831 -5.524 0.727 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.041 -4.623 1.683 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.216 -5.471 -0.660 1.00 0.00 C ATOM 578 CD1 ILE A 43 -4.959 -5.143 3.108 1.00 0.00 C ATOM 0 H ILE A 43 -6.709 -3.144 0.342 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.846 -5.778 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.780 -6.546 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.030 -4.500 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.501 -3.635 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.166 -5.757 -0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.745 -6.160 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.295 -4.458 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.383 -4.446 3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.964 -5.239 3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.471 -6.117 3.112 1.00 0.00 H new ATOM 590 N ALA A 44 -8.030 -4.214 2.821 1.00 0.00 N ATOM 591 CA ALA A 44 -8.550 -4.261 4.185 1.00 0.00 C ATOM 592 C ALA A 44 -10.070 -4.183 4.222 1.00 0.00 C ATOM 593 O ALA A 44 -10.725 -5.031 4.826 1.00 0.00 O ATOM 594 CB ALA A 44 -7.944 -3.139 5.009 1.00 0.00 C ATOM 0 H ALA A 44 -7.716 -3.290 2.523 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.266 -5.222 4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.337 -3.181 6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.860 -3.251 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.200 -2.179 4.560 1.00 0.00 H new ATOM 600 N SER A 45 -10.612 -3.126 3.606 1.00 0.00 N ATOM 601 CA SER A 45 -12.058 -2.880 3.522 1.00 0.00 C ATOM 602 C SER A 45 -12.630 -2.367 4.857 1.00 0.00 C ATOM 603 O SER A 45 -13.713 -1.778 4.896 1.00 0.00 O ATOM 604 CB SER A 45 -12.805 -4.131 3.040 1.00 0.00 C ATOM 605 OG SER A 45 -12.293 -4.567 1.786 1.00 0.00 O ATOM 0 H SER A 45 -10.052 -2.408 3.146 1.00 0.00 H new ATOM 0 HA SER A 45 -12.211 -2.093 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.705 -4.928 3.777 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.869 -3.913 2.949 1.00 0.00 H new ATOM 0 HG SER A 45 -12.779 -5.366 1.494 1.00 0.00 H new ATOM 611 N SER A 46 -11.889 -2.589 5.930 1.00 0.00 N ATOM 612 CA SER A 46 -12.310 -2.221 7.267 1.00 0.00 C ATOM 613 C SER A 46 -12.365 -0.693 7.486 1.00 0.00 C ATOM 614 O SER A 46 -13.400 -0.066 7.273 1.00 0.00 O ATOM 615 CB SER A 46 -11.387 -2.888 8.288 1.00 0.00 C ATOM 616 OG SER A 46 -10.016 -2.627 7.992 1.00 0.00 O ATOM 0 H SER A 46 -10.972 -3.033 5.895 1.00 0.00 H new ATOM 0 HA SER A 46 -13.331 -2.577 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.622 -2.523 9.288 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.562 -3.964 8.292 1.00 0.00 H new ATOM 0 HG SER A 46 -9.448 -3.063 8.661 1.00 0.00 H new ATOM 622 N VAL A 47 -11.250 -0.111 7.899 1.00 0.00 N ATOM 623 CA VAL A 47 -11.201 1.324 8.203 1.00 0.00 C ATOM 624 C VAL A 47 -9.848 1.941 7.825 1.00 0.00 C ATOM 625 O VAL A 47 -9.757 3.132 7.523 1.00 0.00 O ATOM 626 CB VAL A 47 -11.490 1.580 9.713 1.00 0.00 C ATOM 627 CG1 VAL A 47 -10.464 0.880 10.601 1.00 0.00 C ATOM 628 CG2 VAL A 47 -11.540 3.074 10.020 1.00 0.00 C ATOM 0 H VAL A 47 -10.366 -0.602 8.033 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.974 1.804 7.602 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.470 1.157 9.934 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.693 1.078 11.648 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.498 -0.194 10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.467 1.256 10.371 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.743 3.221 11.081 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.583 3.530 9.768 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.330 3.540 9.431 1.00 0.00 H new ATOM 638 N VAL A 48 -8.809 1.129 7.844 1.00 0.00 N ATOM 639 CA VAL A 48 -7.470 1.591 7.520 1.00 0.00 C ATOM 640 C VAL A 48 -7.342 1.982 6.031 1.00 0.00 C ATOM 641 O VAL A 48 -7.200 1.130 5.156 1.00 0.00 O ATOM 642 CB VAL A 48 -6.391 0.532 7.910 1.00 0.00 C ATOM 643 CG1 VAL A 48 -6.743 -0.841 7.367 1.00 0.00 C ATOM 644 CG2 VAL A 48 -5.008 0.956 7.439 1.00 0.00 C ATOM 0 H VAL A 48 -8.866 0.139 8.082 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.292 2.488 8.113 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.375 0.470 8.998 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.972 -1.555 7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.703 -1.158 7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.807 -0.797 6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.278 0.199 7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.011 1.066 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.743 1.908 7.899 1.00 0.00 H new ATOM 654 N GLN A 49 -7.449 3.278 5.762 1.00 0.00 N ATOM 655 CA GLN A 49 -7.302 3.792 4.405 1.00 0.00 C ATOM 656 C GLN A 49 -5.829 3.965 4.061 1.00 0.00 C ATOM 657 O GLN A 49 -5.371 3.548 2.998 1.00 0.00 O ATOM 658 CB GLN A 49 -8.038 5.124 4.249 1.00 0.00 C ATOM 659 CG GLN A 49 -9.464 5.106 4.778 1.00 0.00 C ATOM 660 CD GLN A 49 -10.240 6.350 4.404 1.00 0.00 C ATOM 661 OE1 GLN A 49 -10.215 7.352 5.115 1.00 0.00 O ATOM 662 NE2 GLN A 49 -10.949 6.287 3.293 1.00 0.00 N ATOM 0 H GLN A 49 -7.637 3.992 6.465 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.742 3.070 3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.478 5.901 4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.056 5.397 3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.981 4.229 4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.444 5.008 5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.942 5.436 2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.504 7.090 2.996 1.00 0.00 H new ATOM 671 N ARG A 50 -5.106 4.599 4.970 1.00 0.00 N ATOM 672 CA ARG A 50 -3.674 4.824 4.818 1.00 0.00 C ATOM 673 C ARG A 50 -2.950 4.481 6.127 1.00 0.00 C ATOM 674 O ARG A 50 -1.724 4.525 6.199 1.00 0.00 O ATOM 675 CB ARG A 50 -3.414 6.306 4.431 1.00 0.00 C ATOM 676 CG ARG A 50 -1.940 6.717 4.429 1.00 0.00 C ATOM 677 CD ARG A 50 -1.753 8.201 4.145 1.00 0.00 C ATOM 678 NE ARG A 50 -0.373 8.647 4.391 1.00 0.00 N ATOM 679 CZ ARG A 50 0.170 9.768 3.888 1.00 0.00 C ATOM 680 NH1 ARG A 50 -0.550 10.576 3.111 1.00 0.00 N ATOM 681 NH2 ARG A 50 1.427 10.087 4.179 1.00 0.00 N ATOM 0 H ARG A 50 -5.494 4.973 5.836 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.290 4.180 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.829 6.487 3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.956 6.949 5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.497 6.476 5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.404 6.136 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.020 8.407 3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.435 8.777 4.770 1.00 0.00 H new ATOM 0 HE ARG A 50 0.214 8.063 4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.520 10.345 2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.132 11.426 2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.980 9.480 4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.839 10.938 3.797 1.00 0.00 H new ATOM 695 N ALA A 51 -3.733 4.117 7.154 1.00 0.00 N ATOM 696 CA ALA A 51 -3.221 3.863 8.514 1.00 0.00 C ATOM 697 C ALA A 51 -2.776 5.168 9.164 1.00 0.00 C ATOM 698 O ALA A 51 -3.280 5.553 10.211 1.00 0.00 O ATOM 699 CB ALA A 51 -2.089 2.830 8.519 1.00 0.00 C ATOM 0 H ALA A 51 -4.741 3.990 7.067 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.036 3.440 9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.743 2.674 9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.455 1.887 8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.263 3.193 7.907 1.00 0.00 H new ATOM 705 N ALA A 52 -1.840 5.848 8.521 1.00 0.00 N ATOM 706 CA ALA A 52 -1.361 7.129 8.989 1.00 0.00 C ATOM 707 C ALA A 52 -2.476 8.167 8.921 1.00 0.00 C ATOM 708 O ALA A 52 -3.214 8.236 7.925 1.00 0.00 O ATOM 709 CB ALA A 52 -0.168 7.573 8.169 1.00 0.00 C ATOM 0 H ALA A 52 -1.395 5.524 7.662 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.047 7.029 10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.183 8.539 8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.631 6.838 8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.459 7.662 7.122 1.00 0.00 H new ATOM 715 N GLN A 53 -2.567 8.978 9.966 1.00 0.00 N ATOM 716 CA GLN A 53 -3.633 9.981 10.142 1.00 0.00 C ATOM 717 C GLN A 53 -3.854 10.891 8.932 1.00 0.00 C ATOM 718 O GLN A 53 -4.933 11.421 8.771 1.00 0.00 O ATOM 719 CB GLN A 53 -3.383 10.844 11.394 1.00 0.00 C ATOM 720 CG GLN A 53 -2.053 11.594 11.409 1.00 0.00 C ATOM 721 CD GLN A 53 -0.853 10.693 11.663 1.00 0.00 C ATOM 722 OE1 GLN A 53 -1.054 9.631 12.428 1.00 0.00 O flip ATOM 723 NE2 GLN A 53 0.246 10.955 11.177 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.896 8.965 10.734 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.545 9.397 10.262 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.192 11.569 11.484 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.430 10.202 12.274 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.920 12.102 10.454 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.088 12.365 12.178 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.361 11.783 10.592 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.043 10.344 11.358 1.00 0.00 H new ATOM 732 N SER A 54 -2.842 11.063 8.095 1.00 0.00 N ATOM 733 CA SER A 54 -2.948 11.957 6.942 1.00 0.00 C ATOM 734 C SER A 54 -4.209 11.670 6.093 1.00 0.00 C ATOM 735 O SER A 54 -5.171 12.433 6.124 1.00 0.00 O ATOM 736 CB SER A 54 -1.682 11.864 6.080 1.00 0.00 C ATOM 737 OG SER A 54 -1.678 12.844 5.057 1.00 0.00 O ATOM 0 H SER A 54 -1.939 10.599 8.188 1.00 0.00 H new ATOM 0 HA SER A 54 -3.046 12.973 7.324 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.801 11.990 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.616 10.871 5.635 1.00 0.00 H new ATOM 0 HG SER A 54 -0.858 12.760 4.527 1.00 0.00 H new ATOM 743 N LEU A 55 -4.190 10.584 5.339 1.00 0.00 N ATOM 744 CA LEU A 55 -5.330 10.224 4.492 1.00 0.00 C ATOM 745 C LEU A 55 -6.349 9.375 5.254 1.00 0.00 C ATOM 746 O LEU A 55 -7.526 9.351 4.916 1.00 0.00 O ATOM 747 CB LEU A 55 -4.852 9.475 3.241 1.00 0.00 C ATOM 748 CG LEU A 55 -5.934 9.110 2.215 1.00 0.00 C ATOM 749 CD1 LEU A 55 -6.529 10.364 1.587 1.00 0.00 C ATOM 750 CD2 LEU A 55 -5.366 8.192 1.142 1.00 0.00 C ATOM 0 H LEU A 55 -3.405 9.935 5.291 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.821 11.149 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.099 10.086 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.358 8.557 3.559 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.731 8.579 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.293 10.081 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.977 10.983 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.743 10.927 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.148 7.944 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.548 8.696 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.995 7.277 1.605 1.00 0.00 H new ATOM 762 N ALA A 56 -5.884 8.688 6.289 1.00 0.00 N ATOM 763 CA ALA A 56 -6.730 7.770 7.045 1.00 0.00 C ATOM 764 C ALA A 56 -7.694 8.480 7.973 1.00 0.00 C ATOM 765 O ALA A 56 -8.635 7.862 8.459 1.00 0.00 O ATOM 766 CB ALA A 56 -5.902 6.770 7.820 1.00 0.00 C ATOM 0 H ALA A 56 -4.923 8.748 6.626 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.328 7.238 6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.562 6.101 8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.292 6.189 7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.254 7.298 8.519 1.00 0.00 H new ATOM 772 N SER A 57 -7.426 9.752 8.269 1.00 0.00 N ATOM 773 CA SER A 57 -8.271 10.529 9.172 1.00 0.00 C ATOM 774 C SER A 57 -9.718 10.605 8.668 1.00 0.00 C ATOM 775 O SER A 57 -10.105 11.548 7.984 1.00 0.00 O ATOM 776 CB SER A 57 -7.705 11.941 9.367 1.00 0.00 C ATOM 777 OG SER A 57 -8.376 12.624 10.413 1.00 0.00 O ATOM 0 H SER A 57 -6.628 10.266 7.895 1.00 0.00 H new ATOM 0 HA SER A 57 -8.276 10.015 10.133 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.640 11.881 9.593 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.802 12.506 8.440 1.00 0.00 H new ATOM 0 HG SER A 57 -7.994 13.521 10.516 1.00 0.00 H new ATOM 783 N THR A 58 -10.485 9.585 8.982 1.00 0.00 N ATOM 784 CA THR A 58 -11.876 9.531 8.619 1.00 0.00 C ATOM 785 C THR A 58 -12.731 9.343 9.875 1.00 0.00 C ATOM 786 O THR A 58 -13.818 9.901 9.991 1.00 0.00 O ATOM 787 CB THR A 58 -12.149 8.394 7.586 1.00 0.00 C ATOM 788 OG1 THR A 58 -13.508 8.448 7.142 1.00 0.00 O ATOM 789 CG2 THR A 58 -11.864 7.017 8.180 1.00 0.00 C ATOM 0 H THR A 58 -10.157 8.769 9.498 1.00 0.00 H new ATOM 0 HA THR A 58 -12.146 10.474 8.143 1.00 0.00 H new ATOM 0 HB THR A 58 -11.478 8.549 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.669 7.732 6.493 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.065 6.250 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.819 6.962 8.485 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.504 6.855 9.047 1.00 0.00 H new ATOM 797 N LEU A 59 -12.208 8.569 10.824 1.00 0.00 N ATOM 798 CA LEU A 59 -12.880 8.328 12.094 1.00 0.00 C ATOM 799 C LEU A 59 -11.998 8.791 13.244 1.00 0.00 C ATOM 800 O LEU A 59 -12.202 8.404 14.393 1.00 0.00 O ATOM 801 CB LEU A 59 -13.208 6.834 12.259 1.00 0.00 C ATOM 802 CG LEU A 59 -14.249 6.255 11.294 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.453 4.772 11.560 1.00 0.00 C ATOM 804 CD2 LEU A 59 -15.568 7.001 11.416 1.00 0.00 C ATOM 0 H LEU A 59 -11.310 8.094 10.733 1.00 0.00 H new ATOM 0 HA LEU A 59 -13.812 8.893 12.104 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.284 6.267 12.146 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.559 6.672 13.278 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.878 6.378 10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.195 4.377 10.866 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.509 4.244 11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.801 4.630 12.583 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.293 6.574 10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.944 6.911 12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.414 8.053 11.178 1.00 0.00 H new ATOM 816 N GLY A 60 -11.026 9.637 12.926 1.00 0.00 N ATOM 817 CA GLY A 60 -10.091 10.103 13.935 1.00 0.00 C ATOM 818 C GLY A 60 -8.994 9.092 14.179 1.00 0.00 C ATOM 819 O GLY A 60 -8.824 8.617 15.295 1.00 0.00 O ATOM 0 H GLY A 60 -10.868 10.009 11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.652 11.049 13.617 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.624 10.296 14.866 1.00 0.00 H new ATOM 823 N VAL A 61 -8.239 8.773 13.133 1.00 0.00 N ATOM 824 CA VAL A 61 -7.191 7.766 13.227 1.00 0.00 C ATOM 825 C VAL A 61 -5.880 8.392 13.640 1.00 0.00 C ATOM 826 O VAL A 61 -5.211 9.031 12.843 1.00 0.00 O ATOM 827 CB VAL A 61 -6.985 7.017 11.886 1.00 0.00 C ATOM 828 CG1 VAL A 61 -5.991 5.877 12.053 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.307 6.498 11.341 1.00 0.00 C ATOM 0 H VAL A 61 -8.334 9.198 12.211 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.515 7.050 13.982 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.578 7.726 11.165 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.861 5.365 11.100 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.032 6.276 12.384 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.367 5.173 12.795 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.133 5.977 10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.752 5.810 12.060 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.985 7.335 11.172 1.00 0.00 H new ATOM 839 N ASP A 62 -5.531 8.202 14.892 1.00 0.00 N ATOM 840 CA ASP A 62 -4.296 8.719 15.449 1.00 0.00 C ATOM 841 C ASP A 62 -4.065 8.112 16.814 1.00 0.00 C ATOM 842 O ASP A 62 -4.654 8.543 17.805 1.00 0.00 O ATOM 843 CB ASP A 62 -4.320 10.252 15.551 1.00 0.00 C ATOM 844 CG ASP A 62 -3.036 10.820 16.141 1.00 0.00 C ATOM 845 OD1 ASP A 62 -2.028 10.928 15.400 1.00 0.00 O ATOM 846 OD2 ASP A 62 -3.030 11.173 17.339 1.00 0.00 O ATOM 0 H ASP A 62 -6.099 7.681 15.560 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.480 8.445 14.780 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.478 10.676 14.559 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.165 10.558 16.167 1.00 0.00 H new ATOM 851 N GLY A 63 -3.266 7.071 16.845 1.00 0.00 N ATOM 852 CA GLY A 63 -2.938 6.415 18.089 1.00 0.00 C ATOM 853 C GLY A 63 -4.014 5.453 18.560 1.00 0.00 C ATOM 854 O GLY A 63 -3.789 4.244 18.604 1.00 0.00 O ATOM 0 H GLY A 63 -2.830 6.659 16.020 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.001 5.871 17.969 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.773 7.170 18.858 1.00 0.00 H new ATOM 858 N ASN A 64 -5.194 5.993 18.863 1.00 0.00 N ATOM 859 CA ASN A 64 -6.298 5.222 19.421 1.00 0.00 C ATOM 860 C ASN A 64 -6.704 4.073 18.502 1.00 0.00 C ATOM 861 O ASN A 64 -6.370 2.916 18.754 1.00 0.00 O ATOM 862 CB ASN A 64 -7.478 6.158 19.670 1.00 0.00 C ATOM 863 CG ASN A 64 -8.741 5.448 20.094 1.00 0.00 C ATOM 864 OD1 ASN A 64 -8.713 4.441 20.800 1.00 0.00 O ATOM 865 ND2 ASN A 64 -9.854 5.972 19.652 1.00 0.00 N ATOM 0 H ASN A 64 -5.409 6.981 18.727 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.976 4.776 20.362 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.202 6.879 20.440 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.679 6.724 18.760 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.749 5.544 19.890 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.828 6.809 19.069 1.00 0.00 H new ATOM 872 N ASN A 65 -7.397 4.396 17.428 1.00 0.00 N ATOM 873 CA ASN A 65 -7.838 3.391 16.478 1.00 0.00 C ATOM 874 C ASN A 65 -6.748 3.109 15.457 1.00 0.00 C ATOM 875 O ASN A 65 -6.998 2.531 14.407 1.00 0.00 O ATOM 876 CB ASN A 65 -9.144 3.807 15.790 1.00 0.00 C ATOM 877 CG ASN A 65 -9.011 5.080 14.992 1.00 0.00 C ATOM 878 OD1 ASN A 65 -8.188 5.935 15.302 1.00 0.00 O ATOM 879 ND2 ASN A 65 -9.826 5.217 13.963 1.00 0.00 N ATOM 0 H ASN A 65 -7.668 5.350 17.190 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.038 2.472 17.028 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.472 3.004 15.130 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -9.920 3.937 16.544 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.786 6.060 13.390 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.496 4.480 13.741 1.00 0.00 H new ATOM 886 N LEU A 66 -5.546 3.547 15.769 1.00 0.00 N ATOM 887 CA LEU A 66 -4.394 3.263 14.948 1.00 0.00 C ATOM 888 C LEU A 66 -3.773 1.942 15.385 1.00 0.00 C ATOM 889 O LEU A 66 -3.623 1.015 14.589 1.00 0.00 O ATOM 890 CB LEU A 66 -3.376 4.396 15.050 1.00 0.00 C ATOM 891 CG LEU A 66 -2.058 4.186 14.304 1.00 0.00 C ATOM 892 CD1 LEU A 66 -2.311 3.900 12.834 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.167 5.404 14.462 1.00 0.00 C ATOM 0 H LEU A 66 -5.343 4.108 16.597 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.706 3.182 13.907 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.840 5.309 14.676 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.151 4.561 16.104 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.551 3.323 14.736 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.359 3.754 12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.917 2.999 12.738 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.839 4.742 12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.232 5.242 13.926 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.672 6.280 14.054 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.956 5.566 15.519 1.00 0.00 H new ATOM 905 N ALA A 67 -3.427 1.863 16.670 1.00 0.00 N ATOM 906 CA ALA A 67 -2.836 0.659 17.233 1.00 0.00 C ATOM 907 C ALA A 67 -3.922 -0.356 17.564 1.00 0.00 C ATOM 908 O ALA A 67 -3.654 -1.547 17.745 1.00 0.00 O ATOM 909 CB ALA A 67 -2.024 1.000 18.476 1.00 0.00 C ATOM 0 H ALA A 67 -3.548 2.624 17.339 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.166 0.219 16.494 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.588 0.089 18.887 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.228 1.696 18.211 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.674 1.459 19.221 1.00 0.00 H new ATOM 915 N ARG A 68 -5.144 0.127 17.649 1.00 0.00 N ATOM 916 CA ARG A 68 -6.293 -0.712 17.921 1.00 0.00 C ATOM 917 C ARG A 68 -7.273 -0.577 16.782 1.00 0.00 C ATOM 918 O ARG A 68 -7.192 0.364 16.027 1.00 0.00 O ATOM 919 CB ARG A 68 -6.966 -0.284 19.229 1.00 0.00 C ATOM 920 CG ARG A 68 -6.012 -0.178 20.399 1.00 0.00 C ATOM 921 CD ARG A 68 -6.706 0.338 21.648 1.00 0.00 C ATOM 922 NE ARG A 68 -5.741 0.647 22.700 1.00 0.00 N ATOM 923 CZ ARG A 68 -6.049 0.908 23.969 1.00 0.00 C ATOM 924 NH1 ARG A 68 -7.313 0.880 24.378 1.00 0.00 N ATOM 925 NH2 ARG A 68 -5.082 1.197 24.830 1.00 0.00 N ATOM 0 H ARG A 68 -5.369 1.115 17.531 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.970 -1.748 18.018 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.451 0.681 19.079 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.750 -1.000 19.475 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.577 -1.156 20.603 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.190 0.489 20.138 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.281 1.231 21.405 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.414 -0.408 22.008 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.754 0.664 22.443 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.058 0.657 23.718 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.538 1.081 25.352 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.111 1.218 24.518 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.309 1.398 25.804 1.00 0.00 H new ATOM 939 N PHE A 69 -8.179 -1.529 16.657 1.00 0.00 N ATOM 940 CA PHE A 69 -9.239 -1.504 15.625 1.00 0.00 C ATOM 941 C PHE A 69 -8.704 -1.649 14.182 1.00 0.00 C ATOM 942 O PHE A 69 -9.006 -2.626 13.510 1.00 0.00 O ATOM 943 CB PHE A 69 -10.102 -0.226 15.746 1.00 0.00 C ATOM 944 CG PHE A 69 -10.895 -0.140 17.024 1.00 0.00 C ATOM 945 CD1 PHE A 69 -12.110 -0.792 17.143 1.00 0.00 C ATOM 946 CD2 PHE A 69 -10.423 0.593 18.103 1.00 0.00 C ATOM 947 CE1 PHE A 69 -12.843 -0.716 18.313 1.00 0.00 C ATOM 948 CE2 PHE A 69 -11.151 0.673 19.275 1.00 0.00 C ATOM 949 CZ PHE A 69 -12.363 0.018 19.380 1.00 0.00 C ATOM 0 H PHE A 69 -8.214 -2.350 17.262 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.857 -2.381 15.818 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.453 0.647 15.674 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.789 -0.183 14.901 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.490 -1.367 16.312 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.476 1.107 18.026 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.790 -1.230 18.392 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.773 1.247 20.108 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.934 0.080 20.295 1.00 0.00 H new ATOM 959 N ALA A 70 -7.899 -0.691 13.727 1.00 0.00 N ATOM 960 CA ALA A 70 -7.420 -0.676 12.339 1.00 0.00 C ATOM 961 C ALA A 70 -6.404 -1.775 12.056 1.00 0.00 C ATOM 962 O ALA A 70 -6.657 -2.670 11.243 1.00 0.00 O ATOM 963 CB ALA A 70 -6.836 0.683 11.996 1.00 0.00 C ATOM 0 H ALA A 70 -7.563 0.086 14.296 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.284 -0.870 11.704 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.485 0.678 10.964 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.602 1.449 12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.001 0.899 12.662 1.00 0.00 H new ATOM 969 N VAL A 71 -5.257 -1.717 12.727 1.00 0.00 N ATOM 970 CA VAL A 71 -4.216 -2.720 12.521 1.00 0.00 C ATOM 971 C VAL A 71 -4.682 -4.075 13.022 1.00 0.00 C ATOM 972 O VAL A 71 -4.338 -5.103 12.460 1.00 0.00 O ATOM 973 CB VAL A 71 -2.871 -2.323 13.204 1.00 0.00 C ATOM 974 CG1 VAL A 71 -3.011 -2.262 14.715 1.00 0.00 C ATOM 975 CG2 VAL A 71 -1.752 -3.280 12.802 1.00 0.00 C ATOM 0 H VAL A 71 -5.026 -0.996 13.410 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.030 -2.778 11.449 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.608 -1.324 12.855 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.055 -1.983 15.158 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.765 -1.521 14.981 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.314 -3.239 15.092 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.825 -2.982 13.291 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.013 -4.294 13.106 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.618 -3.249 11.721 1.00 0.00 H new ATOM 985 N GLN A 72 -5.516 -4.061 14.047 1.00 0.00 N ATOM 986 CA GLN A 72 -6.027 -5.282 14.633 1.00 0.00 C ATOM 987 C GLN A 72 -6.977 -5.994 13.673 1.00 0.00 C ATOM 988 O GLN A 72 -7.083 -7.210 13.688 1.00 0.00 O ATOM 989 CB GLN A 72 -6.729 -4.984 15.957 1.00 0.00 C ATOM 990 CG GLN A 72 -5.842 -4.279 16.972 1.00 0.00 C ATOM 991 CD GLN A 72 -4.593 -5.072 17.315 1.00 0.00 C ATOM 992 OE1 GLN A 72 -4.595 -6.304 17.298 1.00 0.00 O ATOM 993 NE2 GLN A 72 -3.519 -4.369 17.620 1.00 0.00 N ATOM 0 H GLN A 72 -5.855 -3.208 14.492 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.183 -5.945 14.826 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.606 -4.367 15.763 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.087 -5.919 16.387 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.551 -3.305 16.579 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.413 -4.098 17.883 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.560 -3.350 17.622 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.647 -4.845 17.854 1.00 0.00 H new ATOM 1002 N ALA A 73 -7.650 -5.225 12.831 1.00 0.00 N ATOM 1003 CA ALA A 73 -8.576 -5.787 11.860 1.00 0.00 C ATOM 1004 C ALA A 73 -7.835 -6.551 10.775 1.00 0.00 C ATOM 1005 O ALA A 73 -8.200 -7.668 10.435 1.00 0.00 O ATOM 1006 CB ALA A 73 -9.433 -4.693 11.243 1.00 0.00 C ATOM 0 H ALA A 73 -7.572 -4.208 12.801 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.226 -6.487 12.385 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.119 -5.133 10.519 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.003 -4.192 12.026 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.792 -3.968 10.741 1.00 0.00 H new ATOM 1012 N VAL A 74 -6.782 -5.942 10.244 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.006 -6.559 9.176 1.00 0.00 C ATOM 1014 C VAL A 74 -5.077 -7.636 9.724 1.00 0.00 C ATOM 1015 O VAL A 74 -4.906 -8.690 9.119 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.172 -5.515 8.401 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.478 -6.156 7.205 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.047 -4.359 7.955 1.00 0.00 C ATOM 0 H VAL A 74 -6.446 -5.024 10.535 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.721 -7.014 8.491 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.404 -5.127 9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.897 -5.402 6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.814 -6.948 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.226 -6.577 6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.442 -3.634 7.411 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.839 -4.732 7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.490 -3.880 8.828 1.00 0.00 H new ATOM 1028 N SER A 75 -4.496 -7.370 10.882 1.00 0.00 N ATOM 1029 CA SER A 75 -3.573 -8.302 11.508 1.00 0.00 C ATOM 1030 C SER A 75 -4.297 -9.582 11.937 1.00 0.00 C ATOM 1031 O SER A 75 -3.678 -10.634 12.098 1.00 0.00 O ATOM 1032 CB SER A 75 -2.893 -7.636 12.713 1.00 0.00 C ATOM 1033 OG SER A 75 -1.852 -8.443 13.241 1.00 0.00 O ATOM 0 H SER A 75 -4.649 -6.511 11.410 1.00 0.00 H new ATOM 0 HA SER A 75 -2.810 -8.577 10.780 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.488 -6.669 12.414 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.634 -7.444 13.489 1.00 0.00 H new ATOM 0 HG SER A 75 -1.441 -7.988 14.005 1.00 0.00 H new ATOM 1039 N ARG A 76 -5.610 -9.486 12.107 1.00 0.00 N ATOM 1040 CA ARG A 76 -6.419 -10.626 12.505 1.00 0.00 C ATOM 1041 C ARG A 76 -7.361 -11.033 11.394 1.00 0.00 C ATOM 1042 O ARG A 76 -8.312 -11.782 11.626 1.00 0.00 O ATOM 1043 CB ARG A 76 -7.242 -10.294 13.740 1.00 0.00 C ATOM 1044 CG ARG A 76 -6.430 -10.056 14.986 1.00 0.00 C ATOM 1045 CD ARG A 76 -7.336 -9.840 16.176 1.00 0.00 C ATOM 1046 NE ARG A 76 -8.125 -8.611 16.068 1.00 0.00 N ATOM 1047 CZ ARG A 76 -8.604 -7.934 17.117 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -8.346 -8.347 18.354 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -9.341 -6.843 16.930 1.00 0.00 N ATOM 0 H ARG A 76 -6.138 -8.623 11.974 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.738 -11.448 12.725 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.839 -9.405 13.535 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -7.940 -11.110 13.927 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.776 -10.909 15.169 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.788 -9.186 14.848 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.009 -10.692 16.275 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.734 -9.802 17.084 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.321 -8.249 15.135 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.781 -9.183 18.505 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.713 -7.828 19.152 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.543 -6.520 15.984 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.705 -6.329 17.733 1.00 0.00 H new ATOM 1063 N LEU A 77 -7.104 -10.550 10.196 1.00 0.00 N ATOM 1064 CA LEU A 77 -7.980 -10.830 9.082 1.00 0.00 C ATOM 1065 C LEU A 77 -7.697 -12.209 8.511 1.00 0.00 C ATOM 1066 O LEU A 77 -6.582 -12.486 8.061 1.00 0.00 O ATOM 1067 CB LEU A 77 -7.828 -9.767 8.005 1.00 0.00 C ATOM 1068 CG LEU A 77 -9.049 -9.554 7.116 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -10.261 -9.204 7.971 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -8.777 -8.452 6.100 1.00 0.00 C ATOM 0 H LEU A 77 -6.299 -9.965 9.971 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.009 -10.813 9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.581 -8.820 8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.982 -10.034 7.372 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.257 -10.477 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.128 -9.054 7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.462 -10.018 8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.060 -8.290 8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.657 -8.311 5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.551 -7.523 6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.928 -8.733 5.477 1.00 0.00 H new ATOM 1171 N TYR A 86 -3.238 -10.375 -0.590 1.00 0.00 N ATOM 1172 CA TYR A 86 -3.071 -9.101 0.069 1.00 0.00 C ATOM 1173 C TYR A 86 -2.003 -8.270 -0.636 1.00 0.00 C ATOM 1174 O TYR A 86 -1.462 -8.675 -1.662 1.00 0.00 O ATOM 1175 CB TYR A 86 -2.692 -9.304 1.543 1.00 0.00 C ATOM 1176 CG TYR A 86 -3.822 -9.823 2.402 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -4.122 -11.179 2.460 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -4.587 -8.952 3.158 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -5.156 -11.646 3.250 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -5.617 -9.404 3.948 1.00 0.00 C ATOM 1181 CZ TYR A 86 -5.901 -10.754 3.993 1.00 0.00 C ATOM 1182 OH TYR A 86 -6.937 -11.212 4.779 1.00 0.00 O ATOM 0 HA TYR A 86 -4.019 -8.565 0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -1.856 -10.001 1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.344 -8.355 1.952 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.539 -11.878 1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.370 -7.894 3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.379 -12.702 3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.201 -8.707 4.530 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.739 -12.122 5.084 1.00 0.00 H new ATOM 1192 N ALA A 87 -1.677 -7.129 -0.061 1.00 0.00 N ATOM 1193 CA ALA A 87 -0.690 -6.224 -0.640 1.00 0.00 C ATOM 1194 C ALA A 87 0.735 -6.691 -0.337 1.00 0.00 C ATOM 1195 O ALA A 87 1.634 -5.877 -0.147 1.00 0.00 O ATOM 1196 CB ALA A 87 -0.908 -4.818 -0.109 1.00 0.00 C ATOM 0 H ALA A 87 -2.083 -6.800 0.815 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.818 -6.224 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.168 -4.146 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.909 -4.479 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.804 -4.819 0.976 1.00 0.00 H new ATOM 1202 N GLN A 88 0.923 -8.002 -0.319 1.00 0.00 N ATOM 1203 CA GLN A 88 2.217 -8.596 -0.035 1.00 0.00 C ATOM 1204 C GLN A 88 3.142 -8.438 -1.226 1.00 0.00 C ATOM 1205 O GLN A 88 4.183 -7.799 -1.142 1.00 0.00 O ATOM 1206 CB GLN A 88 2.042 -10.080 0.282 1.00 0.00 C ATOM 1207 CG GLN A 88 1.221 -10.348 1.523 1.00 0.00 C ATOM 1208 CD GLN A 88 1.884 -9.837 2.777 1.00 0.00 C ATOM 1209 OE1 GLN A 88 3.103 -9.798 2.874 1.00 0.00 O ATOM 1210 NE2 GLN A 88 1.084 -9.446 3.747 1.00 0.00 N ATOM 0 H GLN A 88 0.184 -8.681 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 88 2.656 -8.088 0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.568 -10.570 -0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.025 -10.534 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.243 -9.878 1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.051 -11.421 1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.073 -9.495 3.625 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.476 -9.094 4.620 1.00 0.00 H new ATOM 1219 N ALA A 89 2.740 -8.999 -2.346 1.00 0.00 N ATOM 1220 CA ALA A 89 3.535 -8.921 -3.549 1.00 0.00 C ATOM 1221 C ALA A 89 3.365 -7.564 -4.209 1.00 0.00 C ATOM 1222 O ALA A 89 4.296 -7.027 -4.791 1.00 0.00 O ATOM 1223 CB ALA A 89 3.153 -10.039 -4.507 1.00 0.00 C ATOM 0 H ALA A 89 1.866 -9.515 -2.447 1.00 0.00 H new ATOM 0 HA ALA A 89 4.585 -9.041 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.760 -9.968 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.326 -11.003 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.099 -9.948 -4.770 1.00 0.00 H new ATOM 1229 N PHE A 90 2.170 -6.998 -4.072 1.00 0.00 N ATOM 1230 CA PHE A 90 1.840 -5.706 -4.679 1.00 0.00 C ATOM 1231 C PHE A 90 2.374 -4.551 -3.835 1.00 0.00 C ATOM 1232 O PHE A 90 2.070 -3.385 -4.100 1.00 0.00 O ATOM 1233 CB PHE A 90 0.321 -5.565 -4.826 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.339 -6.718 -5.524 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -0.352 -6.795 -6.906 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.954 -7.724 -4.795 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -0.963 -7.854 -7.548 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.567 -8.784 -5.430 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.571 -8.849 -6.809 1.00 0.00 C ATOM 0 H PHE A 90 1.405 -7.416 -3.542 1.00 0.00 H new ATOM 0 HA PHE A 90 2.310 -5.668 -5.662 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.120 -5.454 -3.835 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.104 -4.649 -5.376 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.121 -6.018 -7.489 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.953 -7.677 -3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.965 -7.904 -8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.043 -9.561 -4.850 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.050 -9.678 -7.309 1.00 0.00 H new ATOM 1249 N SER A 91 3.177 -4.885 -2.841 1.00 0.00 N ATOM 1250 CA SER A 91 3.731 -3.919 -1.912 1.00 0.00 C ATOM 1251 C SER A 91 4.426 -2.753 -2.620 1.00 0.00 C ATOM 1252 O SER A 91 4.056 -1.602 -2.425 1.00 0.00 O ATOM 1253 CB SER A 91 4.698 -4.624 -0.967 1.00 0.00 C ATOM 1254 OG SER A 91 5.531 -5.518 -1.686 1.00 0.00 O ATOM 0 H SER A 91 3.465 -5.845 -2.655 1.00 0.00 H new ATOM 0 HA SER A 91 2.904 -3.490 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.309 -3.887 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.140 -5.170 -0.206 1.00 0.00 H new ATOM 0 HG SER A 91 5.133 -6.414 -1.679 1.00 0.00 H new ATOM 1260 N SER A 92 5.402 -3.061 -3.463 1.00 0.00 N ATOM 1261 CA SER A 92 6.198 -2.031 -4.133 1.00 0.00 C ATOM 1262 C SER A 92 5.361 -1.124 -5.031 1.00 0.00 C ATOM 1263 O SER A 92 5.636 0.075 -5.131 1.00 0.00 O ATOM 1264 CB SER A 92 7.331 -2.663 -4.945 1.00 0.00 C ATOM 1265 OG SER A 92 8.259 -1.683 -5.387 1.00 0.00 O ATOM 0 H SER A 92 5.665 -4.017 -3.702 1.00 0.00 H new ATOM 0 HA SER A 92 6.618 -1.408 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.846 -3.406 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.916 -3.188 -5.805 1.00 0.00 H new ATOM 0 HG SER A 92 8.298 -1.688 -6.366 1.00 0.00 H new ATOM 1271 N ALA A 93 4.357 -1.682 -5.681 1.00 0.00 N ATOM 1272 CA ALA A 93 3.542 -0.902 -6.598 1.00 0.00 C ATOM 1273 C ALA A 93 2.598 0.021 -5.851 1.00 0.00 C ATOM 1274 O ALA A 93 2.347 1.133 -6.282 1.00 0.00 O ATOM 1275 CB ALA A 93 2.763 -1.805 -7.534 1.00 0.00 C ATOM 0 H ALA A 93 4.087 -2.662 -5.594 1.00 0.00 H new ATOM 0 HA ALA A 93 4.218 -0.287 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.162 -1.197 -8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.457 -2.413 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.110 -2.455 -6.952 1.00 0.00 H new ATOM 1281 N LEU A 94 2.082 -0.447 -4.729 1.00 0.00 N ATOM 1282 CA LEU A 94 1.154 0.343 -3.938 1.00 0.00 C ATOM 1283 C LEU A 94 1.895 1.304 -3.019 1.00 0.00 C ATOM 1284 O LEU A 94 1.332 2.285 -2.537 1.00 0.00 O ATOM 1285 CB LEU A 94 0.246 -0.569 -3.118 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.505 -1.638 -3.906 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.443 -2.407 -2.998 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.262 -1.015 -5.067 1.00 0.00 C ATOM 0 H LEU A 94 2.289 -1.369 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 94 0.544 0.930 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.850 -1.062 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.483 0.050 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 94 0.222 -2.340 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.970 -3.165 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.869 -2.889 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.165 -1.721 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.791 -1.794 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.980 -0.289 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.559 -0.515 -5.733 1.00 0.00 H new ATOM 1300 N PHE A 95 3.151 0.998 -2.761 1.00 0.00 N ATOM 1301 CA PHE A 95 3.979 1.825 -1.907 1.00 0.00 C ATOM 1302 C PHE A 95 4.607 2.960 -2.713 1.00 0.00 C ATOM 1303 O PHE A 95 4.943 4.005 -2.163 1.00 0.00 O ATOM 1304 CB PHE A 95 5.065 0.966 -1.242 1.00 0.00 C ATOM 1305 CG PHE A 95 5.919 1.694 -0.246 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.437 1.979 1.021 1.00 0.00 C ATOM 1307 CD2 PHE A 95 7.207 2.082 -0.574 1.00 0.00 C ATOM 1308 CE1 PHE A 95 6.222 2.643 1.943 1.00 0.00 C ATOM 1309 CE2 PHE A 95 7.998 2.747 0.344 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.505 3.027 1.605 1.00 0.00 C ATOM 0 H PHE A 95 3.624 0.175 -3.135 1.00 0.00 H new ATOM 0 HA PHE A 95 3.357 2.265 -1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.587 0.123 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.709 0.553 -2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.435 1.678 1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.597 1.863 -1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.833 2.862 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.000 3.048 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.122 3.545 2.324 1.00 0.00 H new ATOM 1320 N ASN A 96 4.755 2.733 -4.024 1.00 0.00 N ATOM 1321 CA ASN A 96 5.350 3.720 -4.941 1.00 0.00 C ATOM 1322 C ASN A 96 6.656 4.266 -4.381 1.00 0.00 C ATOM 1323 O ASN A 96 6.764 5.447 -4.047 1.00 0.00 O ATOM 1324 CB ASN A 96 4.374 4.869 -5.265 1.00 0.00 C ATOM 1325 CG ASN A 96 3.253 4.469 -6.221 1.00 0.00 C ATOM 1326 OD1 ASN A 96 3.550 3.587 -7.165 1.00 0.00 O flip ATOM 1327 ND2 ASN A 96 2.139 4.971 -6.127 1.00 0.00 N flip ATOM 0 H ASN A 96 4.468 1.866 -4.479 1.00 0.00 H new ATOM 0 HA ASN A 96 5.564 3.201 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.935 5.234 -4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.933 5.697 -5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.945 5.647 -5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.406 4.713 -6.788 1.00 0.00 H new ATOM 1334 N ALA A 97 7.643 3.384 -4.274 1.00 0.00 N ATOM 1335 CA ALA A 97 8.951 3.729 -3.721 1.00 0.00 C ATOM 1336 C ALA A 97 9.630 4.865 -4.506 1.00 0.00 C ATOM 1337 O ALA A 97 10.447 5.601 -3.965 1.00 0.00 O ATOM 1338 CB ALA A 97 9.840 2.497 -3.695 1.00 0.00 C ATOM 0 H ALA A 97 7.561 2.410 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 97 8.798 4.089 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.814 2.760 -3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.378 1.728 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.966 2.118 -4.709 1.00 0.00 H new ATOM 1344 N GLY A 98 9.286 4.984 -5.785 1.00 0.00 N ATOM 1345 CA GLY A 98 9.861 6.028 -6.634 1.00 0.00 C ATOM 1346 C GLY A 98 11.110 5.559 -7.346 1.00 0.00 C ATOM 1347 O GLY A 98 11.557 6.171 -8.313 1.00 0.00 O ATOM 0 H GLY A 98 8.616 4.376 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.122 6.344 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.097 6.900 -6.025 1.00 0.00 H new ATOM 1351 N VAL A 99 11.655 4.458 -6.874 1.00 0.00 N ATOM 1352 CA VAL A 99 12.823 3.847 -7.484 1.00 0.00 C ATOM 1353 C VAL A 99 12.375 2.963 -8.635 1.00 0.00 C ATOM 1354 O VAL A 99 13.165 2.541 -9.478 1.00 0.00 O ATOM 1355 CB VAL A 99 13.594 2.998 -6.443 1.00 0.00 C ATOM 1356 CG1 VAL A 99 12.735 1.857 -5.930 1.00 0.00 C ATOM 1357 CG2 VAL A 99 14.903 2.477 -7.006 1.00 0.00 C ATOM 0 H VAL A 99 11.303 3.959 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 99 13.486 4.630 -7.853 1.00 0.00 H new ATOM 0 HB VAL A 99 13.834 3.650 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 99 13.299 1.276 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.839 2.260 -5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.449 1.214 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.416 1.886 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.702 1.853 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.533 3.317 -7.299 1.00 0.00 H new ATOM 1367 N LEU A 100 11.086 2.729 -8.670 1.00 0.00 N ATOM 1368 CA LEU A 100 10.483 1.878 -9.665 1.00 0.00 C ATOM 1369 C LEU A 100 10.215 2.638 -10.952 1.00 0.00 C ATOM 1370 O LEU A 100 10.430 3.844 -11.024 1.00 0.00 O ATOM 1371 CB LEU A 100 9.185 1.251 -9.123 1.00 0.00 C ATOM 1372 CG LEU A 100 8.244 2.160 -8.313 1.00 0.00 C ATOM 1373 CD1 LEU A 100 7.665 3.283 -9.163 1.00 0.00 C ATOM 1374 CD2 LEU A 100 7.140 1.323 -7.706 1.00 0.00 C ATOM 0 H LEU A 100 10.422 3.126 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 100 11.187 1.077 -9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.624 0.854 -9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.457 0.403 -8.495 1.00 0.00 H new ATOM 0 HG LEU A 100 8.823 2.632 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.007 3.900 -8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.476 3.897 -9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.098 2.857 -9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.471 1.964 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.578 0.831 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.574 0.570 -7.049 1.00 0.00 H new ATOM 1386 N ASN A 101 9.754 1.925 -11.955 1.00 0.00 N ATOM 1387 CA ASN A 101 9.457 2.509 -13.241 1.00 0.00 C ATOM 1388 C ASN A 101 8.202 3.367 -13.169 1.00 0.00 C ATOM 1389 O ASN A 101 7.091 2.853 -13.020 1.00 0.00 O ATOM 1390 CB ASN A 101 9.280 1.406 -14.284 1.00 0.00 C ATOM 1391 CG ASN A 101 8.936 1.941 -15.653 1.00 0.00 C ATOM 1392 OD1 ASN A 101 9.355 3.031 -16.031 1.00 0.00 O ATOM 1393 ND2 ASN A 101 8.155 1.185 -16.396 1.00 0.00 N ATOM 0 H ASN A 101 9.575 0.922 -11.901 1.00 0.00 H new ATOM 0 HA ASN A 101 10.291 3.148 -13.532 1.00 0.00 H new ATOM 0 HB2 ASN A 101 10.199 0.823 -14.348 1.00 0.00 H new ATOM 0 HB3 ASN A 101 8.493 0.727 -13.957 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.875 1.499 -17.325 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.830 0.285 -16.042 1.00 0.00 H new ATOM 1400 N ALA A 102 8.386 4.670 -13.266 1.00 0.00 N ATOM 1401 CA ALA A 102 7.275 5.608 -13.235 1.00 0.00 C ATOM 1402 C ALA A 102 6.433 5.495 -14.502 1.00 0.00 C ATOM 1403 O ALA A 102 5.242 5.805 -14.497 1.00 0.00 O ATOM 1404 CB ALA A 102 7.787 7.029 -13.058 1.00 0.00 C ATOM 0 H ALA A 102 9.302 5.108 -13.368 1.00 0.00 H new ATOM 0 HA ALA A 102 6.641 5.359 -12.384 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.944 7.720 -13.037 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.340 7.102 -12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.445 7.285 -13.889 1.00 0.00 H new ATOM 1410 N SER A 103 7.050 5.012 -15.578 1.00 0.00 N ATOM 1411 CA SER A 103 6.362 4.852 -16.849 1.00 0.00 C ATOM 1412 C SER A 103 5.339 3.732 -16.735 1.00 0.00 C ATOM 1413 O SER A 103 4.329 3.715 -17.426 1.00 0.00 O ATOM 1414 CB SER A 103 7.370 4.541 -17.955 1.00 0.00 C ATOM 1415 OG SER A 103 8.425 5.497 -17.972 1.00 0.00 O ATOM 0 H SER A 103 8.029 4.725 -15.591 1.00 0.00 H new ATOM 0 HA SER A 103 5.848 5.779 -17.101 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.782 3.543 -17.805 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.865 4.536 -18.921 1.00 0.00 H new ATOM 0 HG SER A 103 9.057 5.274 -18.687 1.00 0.00 H new ATOM 1421 N ASN A 104 5.617 2.808 -15.833 1.00 0.00 N ATOM 1422 CA ASN A 104 4.736 1.692 -15.551 1.00 0.00 C ATOM 1423 C ASN A 104 3.424 2.210 -14.966 1.00 0.00 C ATOM 1424 O ASN A 104 2.331 1.831 -15.399 1.00 0.00 O ATOM 1425 CB ASN A 104 5.446 0.754 -14.569 1.00 0.00 C ATOM 1426 CG ASN A 104 4.548 -0.259 -13.896 1.00 0.00 C ATOM 1427 OD1 ASN A 104 3.588 -0.749 -14.468 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.873 -0.575 -12.664 1.00 0.00 N ATOM 0 H ASN A 104 6.468 2.812 -15.271 1.00 0.00 H new ATOM 0 HA ASN A 104 4.503 1.145 -16.464 1.00 0.00 H new ATOM 0 HB2 ASN A 104 6.234 0.222 -15.102 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.931 1.356 -13.800 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.314 -1.254 -12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.684 -0.141 -12.223 1.00 0.00 H new ATOM 1435 N ILE A 105 3.545 3.111 -14.009 1.00 0.00 N ATOM 1436 CA ILE A 105 2.385 3.707 -13.374 1.00 0.00 C ATOM 1437 C ILE A 105 1.668 4.626 -14.355 1.00 0.00 C ATOM 1438 O ILE A 105 0.441 4.676 -14.388 1.00 0.00 O ATOM 1439 CB ILE A 105 2.771 4.461 -12.053 1.00 0.00 C ATOM 1440 CG1 ILE A 105 2.981 3.465 -10.891 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.721 5.501 -11.668 1.00 0.00 C ATOM 1442 CD1 ILE A 105 4.075 2.439 -11.122 1.00 0.00 C ATOM 0 H ILE A 105 4.440 3.447 -13.653 1.00 0.00 H new ATOM 0 HA ILE A 105 1.701 2.907 -13.089 1.00 0.00 H new ATOM 0 HB ILE A 105 3.709 4.983 -12.244 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.215 4.027 -9.987 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.043 2.940 -10.707 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.025 6.001 -10.748 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.627 6.236 -12.467 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.761 5.009 -11.513 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.149 1.784 -10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.837 1.846 -12.005 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.026 2.949 -11.274 1.00 0.00 H new ATOM 1454 N ASP A 106 2.437 5.315 -15.171 1.00 0.00 N ATOM 1455 CA ASP A 106 1.876 6.173 -16.206 1.00 0.00 C ATOM 1456 C ASP A 106 1.071 5.351 -17.211 1.00 0.00 C ATOM 1457 O ASP A 106 0.004 5.758 -17.646 1.00 0.00 O ATOM 1458 CB ASP A 106 2.995 6.926 -16.932 1.00 0.00 C ATOM 1459 CG ASP A 106 2.520 7.614 -18.199 1.00 0.00 C ATOM 1460 OD1 ASP A 106 2.023 8.755 -18.114 1.00 0.00 O ATOM 1461 OD2 ASP A 106 2.667 7.023 -19.293 1.00 0.00 O ATOM 0 H ASP A 106 3.456 5.301 -15.141 1.00 0.00 H new ATOM 0 HA ASP A 106 1.210 6.892 -15.729 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.421 7.670 -16.259 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.793 6.227 -17.182 1.00 0.00 H new ATOM 1466 N THR A 107 1.579 4.171 -17.536 1.00 0.00 N ATOM 1467 CA THR A 107 0.957 3.322 -18.537 1.00 0.00 C ATOM 1468 C THR A 107 -0.313 2.639 -18.022 1.00 0.00 C ATOM 1469 O THR A 107 -1.404 2.883 -18.536 1.00 0.00 O ATOM 1470 CB THR A 107 1.941 2.249 -19.060 1.00 0.00 C ATOM 1471 OG1 THR A 107 3.081 2.884 -19.649 1.00 0.00 O ATOM 1472 CG2 THR A 107 1.272 1.353 -20.098 1.00 0.00 C ATOM 0 H THR A 107 2.424 3.780 -17.118 1.00 0.00 H new ATOM 0 HA THR A 107 0.677 3.984 -19.357 1.00 0.00 H new ATOM 0 HB THR A 107 2.253 1.633 -18.216 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.602 3.334 -18.951 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.986 0.608 -20.449 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.415 0.851 -19.648 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.936 1.959 -20.940 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.179 1.799 -17.012 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.326 1.040 -16.525 1.00 0.00 C ATOM 1482 C LEU A 108 -1.740 1.446 -15.127 1.00 0.00 C ATOM 1483 O LEU A 108 -2.920 1.419 -14.806 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.055 -0.467 -16.565 1.00 0.00 C ATOM 1485 CG LEU A 108 0.142 -0.953 -15.745 1.00 0.00 C ATOM 1486 CD1 LEU A 108 -0.102 -2.361 -15.236 1.00 0.00 C ATOM 1487 CD2 LEU A 108 1.410 -0.914 -16.583 1.00 0.00 C ATOM 0 H LEU A 108 0.695 1.624 -16.517 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.150 1.274 -17.199 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.946 -0.986 -16.213 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.903 -0.762 -17.603 1.00 0.00 H new ATOM 0 HG LEU A 108 0.266 -0.288 -14.890 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.759 -2.692 -14.655 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.991 -2.371 -14.606 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.249 -3.033 -16.081 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.252 -1.263 -15.985 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.291 -1.559 -17.453 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.597 0.108 -16.912 1.00 0.00 H new ATOM 1499 N GLY A 109 -0.776 1.828 -14.306 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.069 2.174 -12.922 1.00 0.00 C ATOM 1501 C GLY A 109 -2.187 3.195 -12.784 1.00 0.00 C ATOM 1502 O GLY A 109 -3.200 2.935 -12.134 1.00 0.00 O ATOM 0 H GLY A 109 0.207 1.906 -14.568 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.342 1.270 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.167 2.567 -12.454 1.00 0.00 H new ATOM 1506 N SER A 110 -2.012 4.333 -13.415 1.00 0.00 N ATOM 1507 CA SER A 110 -2.969 5.424 -13.333 1.00 0.00 C ATOM 1508 C SER A 110 -4.278 5.083 -14.061 1.00 0.00 C ATOM 1509 O SER A 110 -5.344 5.589 -13.710 1.00 0.00 O ATOM 1510 CB SER A 110 -2.344 6.703 -13.912 1.00 0.00 C ATOM 1511 OG SER A 110 -3.149 7.838 -13.654 1.00 0.00 O ATOM 0 H SER A 110 -1.202 4.534 -14.002 1.00 0.00 H new ATOM 0 HA SER A 110 -3.215 5.586 -12.284 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.354 6.852 -13.481 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.209 6.588 -14.988 1.00 0.00 H new ATOM 0 HG SER A 110 -2.723 8.635 -14.034 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.199 4.208 -15.050 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.373 3.855 -15.846 1.00 0.00 C ATOM 1519 C ARG A 111 -6.230 2.783 -15.176 1.00 0.00 C ATOM 1520 O ARG A 111 -7.447 2.923 -15.085 1.00 0.00 O ATOM 1521 CB ARG A 111 -4.971 3.392 -17.256 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.686 4.524 -18.238 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.412 5.278 -17.900 1.00 0.00 C ATOM 1524 NE ARG A 111 -3.190 6.397 -18.811 1.00 0.00 N ATOM 1525 CZ ARG A 111 -2.293 6.405 -19.802 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -1.554 5.330 -20.046 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -2.150 7.487 -20.559 1.00 0.00 N ATOM 0 H ARG A 111 -3.341 3.729 -15.323 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.973 4.762 -15.925 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.084 2.763 -17.179 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.769 2.769 -17.661 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.607 4.116 -19.246 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.526 5.219 -18.241 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.469 5.648 -16.876 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.562 4.597 -17.946 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.760 7.233 -18.682 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.669 4.492 -19.476 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.871 5.342 -20.804 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.725 8.311 -20.384 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.466 7.493 -21.315 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.595 1.728 -14.704 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.308 0.591 -14.131 1.00 0.00 C ATOM 1543 C VAL A 112 -6.678 0.820 -12.662 1.00 0.00 C ATOM 1544 O VAL A 112 -7.830 0.639 -12.269 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.472 -0.707 -14.254 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.262 -1.912 -13.774 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.010 -0.910 -15.689 1.00 0.00 C ATOM 0 H VAL A 112 -4.580 1.630 -14.704 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.231 0.485 -14.702 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.593 -0.604 -13.617 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -5.651 -2.810 -13.871 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.539 -1.773 -12.729 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.164 -2.019 -14.377 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.424 -1.827 -15.756 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.878 -0.985 -16.344 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.396 -0.064 -15.997 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.702 1.229 -11.860 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.926 1.434 -10.429 1.00 0.00 C ATOM 1559 C LEU A 113 -6.855 2.615 -10.188 1.00 0.00 C ATOM 1560 O LEU A 113 -7.725 2.558 -9.319 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.594 1.631 -9.681 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.746 0.365 -9.441 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -3.314 -0.277 -10.752 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -2.529 0.695 -8.590 1.00 0.00 C ATOM 0 H LEU A 113 -4.751 1.425 -12.172 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.405 0.537 -10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.990 2.345 -10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.810 2.086 -8.714 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.369 -0.353 -8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.719 -1.166 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.196 -0.558 -11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.718 0.433 -11.325 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.941 -0.209 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.918 1.439 -9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.854 1.091 -7.628 1.00 0.00 H new ATOM 1576 N SER A 114 -6.644 3.681 -10.960 1.00 0.00 N ATOM 1577 CA SER A 114 -7.474 4.890 -10.925 1.00 0.00 C ATOM 1578 C SER A 114 -7.753 5.392 -9.492 1.00 0.00 C ATOM 1579 O SER A 114 -6.924 6.085 -8.898 1.00 0.00 O ATOM 1580 CB SER A 114 -8.789 4.662 -11.694 1.00 0.00 C ATOM 1581 OG SER A 114 -9.569 5.847 -11.753 1.00 0.00 O ATOM 0 H SER A 114 -5.883 3.732 -11.637 1.00 0.00 H new ATOM 0 HA SER A 114 -6.904 5.677 -11.418 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.566 4.321 -12.705 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.362 3.871 -11.210 1.00 0.00 H new ATOM 0 HG SER A 114 -10.396 5.670 -12.249 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.912 4.998 -8.940 1.00 0.00 N ATOM 1588 CA ALA A 115 -9.358 5.439 -7.617 1.00 0.00 C ATOM 1589 C ALA A 115 -8.336 5.131 -6.537 1.00 0.00 C ATOM 1590 O ALA A 115 -8.170 5.900 -5.591 1.00 0.00 O ATOM 1591 CB ALA A 115 -10.696 4.799 -7.273 1.00 0.00 C ATOM 0 H ALA A 115 -9.564 4.364 -9.402 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.474 6.522 -7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -11.017 5.135 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.440 5.089 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.590 3.714 -7.270 1.00 0.00 H new ATOM 1597 N LEU A 116 -7.646 4.015 -6.684 1.00 0.00 N ATOM 1598 CA LEU A 116 -6.648 3.621 -5.720 1.00 0.00 C ATOM 1599 C LEU A 116 -5.486 4.601 -5.725 1.00 0.00 C ATOM 1600 O LEU A 116 -5.077 5.092 -4.673 1.00 0.00 O ATOM 1601 CB LEU A 116 -6.158 2.197 -5.997 1.00 0.00 C ATOM 1602 CG LEU A 116 -5.008 1.698 -5.112 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -5.356 1.833 -3.637 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.676 0.258 -5.447 1.00 0.00 C ATOM 0 H LEU A 116 -7.762 3.368 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.104 3.635 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.001 1.515 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.841 2.139 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 116 -4.133 2.317 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.524 1.472 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.548 2.880 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.246 1.243 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.859 -0.084 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.553 -0.367 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.377 0.187 -6.493 1.00 0.00 H new ATOM 1616 N LEU A 117 -4.983 4.921 -6.910 1.00 0.00 N ATOM 1617 CA LEU A 117 -3.860 5.831 -7.012 1.00 0.00 C ATOM 1618 C LEU A 117 -4.255 7.245 -6.670 1.00 0.00 C ATOM 1619 O LEU A 117 -3.413 8.037 -6.276 1.00 0.00 O ATOM 1620 CB LEU A 117 -3.189 5.774 -8.379 1.00 0.00 C ATOM 1621 CG LEU A 117 -2.381 4.509 -8.662 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -1.530 4.694 -9.899 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -1.508 4.137 -7.468 1.00 0.00 C ATOM 0 H LEU A 117 -5.332 4.567 -7.801 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.128 5.497 -6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.957 5.873 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.529 6.636 -8.477 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.081 3.692 -8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.960 3.784 -10.088 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.172 4.904 -10.754 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.844 5.527 -9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.944 3.233 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.816 4.952 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.139 3.960 -6.597 1.00 0.00 H new ATOM 1635 N ASN A 118 -5.537 7.564 -6.805 1.00 0.00 N ATOM 1636 CA ASN A 118 -6.023 8.888 -6.426 1.00 0.00 C ATOM 1637 C ASN A 118 -5.719 9.141 -4.960 1.00 0.00 C ATOM 1638 O ASN A 118 -5.404 10.258 -4.561 1.00 0.00 O ATOM 1639 CB ASN A 118 -7.528 9.039 -6.698 1.00 0.00 C ATOM 1640 CG ASN A 118 -7.879 8.964 -8.180 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -8.983 8.554 -8.548 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -6.950 9.348 -9.038 1.00 0.00 N ATOM 0 H ASN A 118 -6.252 6.934 -7.169 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.508 9.629 -7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -8.068 8.258 -6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -7.869 9.994 -6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.135 9.311 -10.040 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.048 9.682 -8.698 1.00 0.00 H new ATOM 1649 N GLY A 119 -5.789 8.082 -4.167 1.00 0.00 N ATOM 1650 CA GLY A 119 -5.451 8.183 -2.771 1.00 0.00 C ATOM 1651 C GLY A 119 -3.962 7.990 -2.542 1.00 0.00 C ATOM 1652 O GLY A 119 -3.348 8.711 -1.755 1.00 0.00 O ATOM 0 H GLY A 119 -6.076 7.152 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -5.755 9.159 -2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -6.007 7.435 -2.206 1.00 0.00 H new ATOM 1656 N VAL A 120 -3.372 7.020 -3.253 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.940 6.716 -3.111 1.00 0.00 C ATOM 1658 C VAL A 120 -1.057 7.918 -3.488 1.00 0.00 C ATOM 1659 O VAL A 120 0.012 8.113 -2.902 1.00 0.00 O ATOM 1660 CB VAL A 120 -1.522 5.477 -3.950 1.00 0.00 C ATOM 1661 CG1 VAL A 120 -0.034 5.196 -3.800 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -2.328 4.255 -3.536 1.00 0.00 C ATOM 0 H VAL A 120 -3.861 6.434 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.784 6.488 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.728 5.696 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.234 4.324 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.536 6.060 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.196 5.003 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -2.021 3.397 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.152 4.043 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -3.389 4.448 -3.695 1.00 0.00 H new ATOM 1672 N SER A 121 -1.519 8.723 -4.447 1.00 0.00 N ATOM 1673 CA SER A 121 -0.780 9.912 -4.891 1.00 0.00 C ATOM 1674 C SER A 121 -0.450 10.824 -3.716 1.00 0.00 C ATOM 1675 O SER A 121 0.666 11.304 -3.587 1.00 0.00 O ATOM 1676 CB SER A 121 -1.588 10.693 -5.928 1.00 0.00 C ATOM 1677 OG SER A 121 -1.814 9.917 -7.097 1.00 0.00 O ATOM 0 H SER A 121 -2.403 8.575 -4.933 1.00 0.00 H new ATOM 0 HA SER A 121 0.151 9.570 -5.343 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.543 10.993 -5.497 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.057 11.607 -6.193 1.00 0.00 H new ATOM 0 HG SER A 121 -2.487 9.230 -6.908 1.00 0.00 H new ATOM 1683 N SER A 122 -1.432 11.054 -2.872 1.00 0.00 N ATOM 1684 CA SER A 122 -1.259 11.905 -1.719 1.00 0.00 C ATOM 1685 C SER A 122 -0.658 11.119 -0.546 1.00 0.00 C ATOM 1686 O SER A 122 -0.026 11.690 0.349 1.00 0.00 O ATOM 1687 CB SER A 122 -2.610 12.490 -1.329 1.00 0.00 C ATOM 1688 OG SER A 122 -3.241 13.086 -2.454 1.00 0.00 O ATOM 0 H SER A 122 -2.367 10.658 -2.966 1.00 0.00 H new ATOM 0 HA SER A 122 -0.568 12.711 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 122 -3.248 11.706 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.477 13.234 -0.543 1.00 0.00 H new ATOM 0 HG SER A 122 -4.108 13.455 -2.185 1.00 0.00 H new ATOM 1694 N ALA A 123 -0.852 9.810 -0.566 1.00 0.00 N ATOM 1695 CA ALA A 123 -0.397 8.955 0.508 1.00 0.00 C ATOM 1696 C ALA A 123 1.072 8.540 0.369 1.00 0.00 C ATOM 1697 O ALA A 123 1.970 9.182 0.929 1.00 0.00 O ATOM 1698 CB ALA A 123 -1.297 7.734 0.632 1.00 0.00 C ATOM 0 H ALA A 123 -1.326 9.317 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.461 9.542 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.941 7.101 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.318 8.054 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -1.278 7.171 -0.301 1.00 0.00 H new ATOM 1704 N ALA A 124 1.312 7.484 -0.392 1.00 0.00 N ATOM 1705 CA ALA A 124 2.643 6.911 -0.529 1.00 0.00 C ATOM 1706 C ALA A 124 3.521 7.739 -1.442 1.00 0.00 C ATOM 1707 O ALA A 124 4.672 8.028 -1.114 1.00 0.00 O ATOM 1708 CB ALA A 124 2.545 5.483 -1.032 1.00 0.00 C ATOM 0 H ALA A 124 0.593 7.001 -0.931 1.00 0.00 H new ATOM 0 HA ALA A 124 3.110 6.911 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.546 5.063 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.970 4.887 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.049 5.472 -2.003 1.00 0.00 H new ATOM 1714 N GLN A 125 2.973 8.130 -2.573 1.00 0.00 N ATOM 1715 CA GLN A 125 3.707 8.924 -3.535 1.00 0.00 C ATOM 1716 C GLN A 125 3.878 10.352 -3.016 1.00 0.00 C ATOM 1717 O GLN A 125 4.765 11.081 -3.446 1.00 0.00 O ATOM 1718 CB GLN A 125 2.966 8.941 -4.875 1.00 0.00 C ATOM 1719 CG GLN A 125 3.758 9.567 -6.013 1.00 0.00 C ATOM 1720 CD GLN A 125 2.914 9.833 -7.244 1.00 0.00 C ATOM 1721 OE1 GLN A 125 1.944 9.127 -7.517 1.00 0.00 O ATOM 1722 NE2 GLN A 125 3.276 10.857 -7.992 1.00 0.00 N ATOM 0 H GLN A 125 2.016 7.909 -2.850 1.00 0.00 H new ATOM 0 HA GLN A 125 4.692 8.480 -3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 125 2.705 7.918 -5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 125 2.030 9.487 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 125 4.197 10.504 -5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 125 4.583 8.907 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 125 4.087 11.418 -7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 125 2.745 11.088 -8.832 1.00 0.00 H new ATOM 1731 N GLY A 126 3.028 10.726 -2.074 1.00 0.00 N ATOM 1732 CA GLY A 126 3.045 12.066 -1.545 1.00 0.00 C ATOM 1733 C GLY A 126 4.186 12.325 -0.589 1.00 0.00 C ATOM 1734 O GLY A 126 5.133 13.045 -0.922 1.00 0.00 O ATOM 0 H GLY A 126 2.321 10.116 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.107 12.773 -2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.102 12.257 -1.033 1.00 0.00 H new ATOM 1738 N LEU A 127 4.118 11.735 0.596 1.00 0.00 N ATOM 1739 CA LEU A 127 5.124 12.002 1.619 1.00 0.00 C ATOM 1740 C LEU A 127 5.704 10.722 2.179 1.00 0.00 C ATOM 1741 O LEU A 127 6.688 10.749 2.914 1.00 0.00 O ATOM 1742 CB LEU A 127 4.513 12.833 2.757 1.00 0.00 C ATOM 1743 CG LEU A 127 3.952 14.206 2.364 1.00 0.00 C ATOM 1744 CD1 LEU A 127 3.259 14.859 3.553 1.00 0.00 C ATOM 1745 CD2 LEU A 127 5.062 15.108 1.834 1.00 0.00 C ATOM 0 H LEU A 127 3.389 11.077 0.872 1.00 0.00 H new ATOM 0 HA LEU A 127 5.932 12.562 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 127 3.711 12.253 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.275 12.980 3.522 1.00 0.00 H new ATOM 0 HG LEU A 127 3.218 14.062 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.867 15.832 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 127 2.439 14.225 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 127 3.974 14.988 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 127 4.644 16.077 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.820 15.244 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 127 5.516 14.648 0.956 1.00 0.00 H new ATOM 1757 N GLY A 128 5.111 9.605 1.820 1.00 0.00 N ATOM 1758 CA GLY A 128 5.552 8.346 2.361 1.00 0.00 C ATOM 1759 C GLY A 128 4.747 7.973 3.580 1.00 0.00 C ATOM 1760 O GLY A 128 4.688 8.727 4.551 1.00 0.00 O ATOM 0 H GLY A 128 4.332 9.545 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.456 7.567 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.608 8.408 2.623 1.00 0.00 H new ATOM 1764 N ILE A 129 4.094 6.840 3.519 1.00 0.00 N ATOM 1765 CA ILE A 129 3.265 6.375 4.620 1.00 0.00 C ATOM 1766 C ILE A 129 4.084 5.615 5.670 1.00 0.00 C ATOM 1767 O ILE A 129 5.055 4.927 5.344 1.00 0.00 O ATOM 1768 CB ILE A 129 2.148 5.440 4.126 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.503 5.987 2.855 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.103 5.275 5.212 1.00 0.00 C ATOM 1771 CD1 ILE A 129 0.571 5.002 2.177 1.00 0.00 C ATOM 0 H ILE A 129 4.116 6.213 2.715 1.00 0.00 H new ATOM 0 HA ILE A 129 2.834 7.270 5.069 1.00 0.00 H new ATOM 0 HB ILE A 129 2.585 4.469 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 129 0.947 6.892 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 129 2.287 6.275 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.313 4.612 4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.566 4.846 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.677 6.248 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.149 5.458 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 129 1.127 4.106 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.234 4.733 2.861 1.00 0.00 H new ATOM 1783 N ASN A 130 3.672 5.745 6.925 1.00 0.00 N ATOM 1784 CA ASN A 130 4.284 5.020 8.025 1.00 0.00 C ATOM 1785 C ASN A 130 3.194 4.563 8.994 1.00 0.00 C ATOM 1786 O ASN A 130 2.160 5.217 9.122 1.00 0.00 O ATOM 1787 CB ASN A 130 5.301 5.895 8.763 1.00 0.00 C ATOM 1788 CG ASN A 130 6.066 5.122 9.828 1.00 0.00 C ATOM 1789 OD1 ASN A 130 6.336 3.924 9.675 1.00 0.00 O ATOM 1790 ND2 ASN A 130 6.404 5.789 10.910 1.00 0.00 N ATOM 0 H ASN A 130 2.905 6.356 7.206 1.00 0.00 H new ATOM 0 HA ASN A 130 4.811 4.155 7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 130 6.006 6.313 8.044 1.00 0.00 H new ATOM 0 HB3 ASN A 130 4.784 6.735 9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 130 6.908 5.319 11.662 1.00 0.00 H new ATOM 0 HD22 ASN A 130 6.162 6.776 10.997 1.00 0.00 H new ATOM 1797 N VAL A 131 3.420 3.439 9.654 1.00 0.00 N ATOM 1798 CA VAL A 131 2.467 2.901 10.611 1.00 0.00 C ATOM 1799 C VAL A 131 3.130 2.781 11.989 1.00 0.00 C ATOM 1800 O VAL A 131 4.354 2.784 12.089 1.00 0.00 O ATOM 1801 CB VAL A 131 1.927 1.509 10.157 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.778 1.041 11.043 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.484 1.554 8.708 1.00 0.00 C ATOM 0 H VAL A 131 4.264 2.877 9.543 1.00 0.00 H new ATOM 0 HA VAL A 131 1.621 3.586 10.669 1.00 0.00 H new ATOM 0 HB VAL A 131 2.743 0.793 10.255 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.426 0.069 10.699 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.124 0.958 12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.038 1.762 10.991 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.111 0.574 8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.692 2.294 8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.330 1.827 8.077 1.00 0.00 H new ATOM 1813 N ASP A 132 2.317 2.668 13.036 1.00 0.00 N ATOM 1814 CA ASP A 132 2.812 2.577 14.415 1.00 0.00 C ATOM 1815 C ASP A 132 3.730 1.353 14.613 1.00 0.00 C ATOM 1816 O ASP A 132 3.645 0.355 13.873 1.00 0.00 O ATOM 1817 CB ASP A 132 1.625 2.523 15.394 1.00 0.00 C ATOM 1818 CG ASP A 132 2.055 2.529 16.850 1.00 0.00 C ATOM 1819 OD1 ASP A 132 2.245 3.627 17.419 1.00 0.00 O ATOM 1820 OD2 ASP A 132 2.210 1.439 17.429 1.00 0.00 O ATOM 0 H ASP A 132 1.300 2.637 12.958 1.00 0.00 H new ATOM 0 HA ASP A 132 3.408 3.467 14.618 1.00 0.00 H new ATOM 0 HB2 ASP A 132 0.971 3.376 15.211 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.040 1.625 15.198 1.00 0.00 H new ATOM 1825 N SER A 133 4.595 1.437 15.620 1.00 0.00 N ATOM 1826 CA SER A 133 5.575 0.397 15.924 1.00 0.00 C ATOM 1827 C SER A 133 4.960 -0.784 16.676 1.00 0.00 C ATOM 1828 O SER A 133 5.671 -1.544 17.332 1.00 0.00 O ATOM 1829 CB SER A 133 6.723 0.995 16.731 1.00 0.00 C ATOM 1830 OG SER A 133 7.225 2.162 16.100 1.00 0.00 O ATOM 0 H SER A 133 4.636 2.235 16.254 1.00 0.00 H new ATOM 0 HA SER A 133 5.949 0.010 14.976 1.00 0.00 H new ATOM 0 HB2 SER A 133 6.379 1.238 17.736 1.00 0.00 H new ATOM 0 HB3 SER A 133 7.521 0.260 16.836 1.00 0.00 H new ATOM 0 HG SER A 133 7.959 2.532 16.633 1.00 0.00 H new ATOM 1836 N GLY A 134 3.654 -0.931 16.579 1.00 0.00 N ATOM 1837 CA GLY A 134 2.998 -2.057 17.187 1.00 0.00 C ATOM 1838 C GLY A 134 3.357 -3.344 16.482 1.00 0.00 C ATOM 1839 O GLY A 134 4.179 -4.124 16.967 1.00 0.00 O ATOM 0 H GLY A 134 3.035 -0.287 16.087 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.282 -2.123 18.237 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.918 -1.912 17.157 1.00 0.00 H new ATOM 1843 N SER A 135 2.740 -3.574 15.344 1.00 0.00 N ATOM 1844 CA SER A 135 3.015 -4.764 14.564 1.00 0.00 C ATOM 1845 C SER A 135 3.813 -4.456 13.288 1.00 0.00 C ATOM 1846 O SER A 135 4.612 -5.276 12.838 1.00 0.00 O ATOM 1847 CB SER A 135 1.707 -5.462 14.204 1.00 0.00 C ATOM 1848 OG SER A 135 0.962 -5.774 15.370 1.00 0.00 O ATOM 0 H SER A 135 2.042 -2.952 14.936 1.00 0.00 H new ATOM 0 HA SER A 135 3.630 -5.421 15.179 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.116 -4.820 13.551 1.00 0.00 H new ATOM 0 HB3 SER A 135 1.919 -6.375 13.648 1.00 0.00 H new ATOM 0 HG SER A 135 0.127 -6.219 15.115 1.00 0.00 H new ATOM 1854 N VAL A 136 3.611 -3.264 12.719 1.00 0.00 N ATOM 1855 CA VAL A 136 4.201 -2.946 11.419 1.00 0.00 C ATOM 1856 C VAL A 136 5.621 -2.391 11.509 1.00 0.00 C ATOM 1857 O VAL A 136 6.567 -3.028 11.049 1.00 0.00 O ATOM 1858 CB VAL A 136 3.316 -1.954 10.630 1.00 0.00 C ATOM 1859 CG1 VAL A 136 3.905 -1.687 9.249 1.00 0.00 C ATOM 1860 CG2 VAL A 136 1.896 -2.488 10.512 1.00 0.00 C ATOM 0 H VAL A 136 3.053 -2.516 13.131 1.00 0.00 H new ATOM 0 HA VAL A 136 4.257 -3.898 10.891 1.00 0.00 H new ATOM 0 HB VAL A 136 3.287 -1.011 11.175 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.267 -0.986 8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.903 -1.261 9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 136 3.967 -2.622 8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.286 -1.778 9.954 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.909 -3.445 9.990 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.475 -2.624 11.508 1.00 0.00 H new ATOM 1870 N GLN A 137 5.774 -1.216 12.120 1.00 0.00 N ATOM 1871 CA GLN A 137 7.076 -0.546 12.149 1.00 0.00 C ATOM 1872 C GLN A 137 8.090 -1.308 12.992 1.00 0.00 C ATOM 1873 O GLN A 137 9.295 -1.175 12.800 1.00 0.00 O ATOM 1874 CB GLN A 137 6.938 0.886 12.645 1.00 0.00 C ATOM 1875 CG GLN A 137 8.122 1.775 12.308 1.00 0.00 C ATOM 1876 CD GLN A 137 7.998 3.155 12.918 1.00 0.00 C ATOM 1877 OE1 GLN A 137 6.777 3.619 13.088 1.00 0.00 O flip ATOM 1878 NE2 GLN A 137 8.996 3.800 13.225 1.00 0.00 N flip ATOM 0 H GLN A 137 5.025 -0.713 12.596 1.00 0.00 H new ATOM 0 HA GLN A 137 7.450 -0.526 11.125 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.036 1.322 12.216 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.803 0.873 13.727 1.00 0.00 H new ATOM 0 HG2 GLN A 137 9.039 1.305 12.663 1.00 0.00 H new ATOM 0 HG3 GLN A 137 8.209 1.866 11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.924 3.404 13.077 1.00 0.00 H new ATOM 0 HE22 GLN A 137 8.897 4.732 13.628 1.00 0.00 H new ATOM 1887 N SER A 138 7.597 -2.116 13.906 1.00 0.00 N ATOM 1888 CA SER A 138 8.452 -2.901 14.771 1.00 0.00 C ATOM 1889 C SER A 138 9.175 -3.990 13.986 1.00 0.00 C ATOM 1890 O SER A 138 10.382 -4.187 14.136 1.00 0.00 O ATOM 1891 CB SER A 138 7.611 -3.517 15.877 1.00 0.00 C ATOM 1892 OG SER A 138 6.378 -3.996 15.357 1.00 0.00 O ATOM 0 H SER A 138 6.599 -2.247 14.070 1.00 0.00 H new ATOM 0 HA SER A 138 9.209 -2.249 15.206 1.00 0.00 H new ATOM 0 HB2 SER A 138 8.158 -4.336 16.345 1.00 0.00 H new ATOM 0 HB3 SER A 138 7.422 -2.776 16.653 1.00 0.00 H new ATOM 0 HG SER A 138 5.733 -4.099 16.087 1.00 0.00 H new ATOM 1898 N ASP A 139 8.433 -4.672 13.133 1.00 0.00 N ATOM 1899 CA ASP A 139 8.975 -5.772 12.356 1.00 0.00 C ATOM 1900 C ASP A 139 9.826 -5.270 11.194 1.00 0.00 C ATOM 1901 O ASP A 139 10.972 -5.700 11.017 1.00 0.00 O ATOM 1902 CB ASP A 139 7.840 -6.650 11.826 1.00 0.00 C ATOM 1903 CG ASP A 139 8.339 -7.942 11.216 1.00 0.00 C ATOM 1904 OD1 ASP A 139 8.825 -7.919 10.074 1.00 0.00 O ATOM 1905 OD2 ASP A 139 8.241 -8.996 11.885 1.00 0.00 O ATOM 0 H ASP A 139 7.446 -4.482 12.960 1.00 0.00 H new ATOM 0 HA ASP A 139 9.615 -6.361 13.014 1.00 0.00 H new ATOM 0 HB2 ASP A 139 7.152 -6.879 12.640 1.00 0.00 H new ATOM 0 HB3 ASP A 139 7.275 -6.094 11.078 1.00 0.00 H new ATOM 1910 N ILE A 140 9.271 -4.340 10.417 1.00 0.00 N ATOM 1911 CA ILE A 140 9.948 -3.836 9.223 1.00 0.00 C ATOM 1912 C ILE A 140 11.311 -3.211 9.532 1.00 0.00 C ATOM 1913 O ILE A 140 12.264 -3.429 8.797 1.00 0.00 O ATOM 1914 CB ILE A 140 9.080 -2.824 8.431 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.770 -1.592 9.283 1.00 0.00 C ATOM 1916 CG2 ILE A 140 7.792 -3.489 7.958 1.00 0.00 C ATOM 1917 CD1 ILE A 140 8.034 -0.497 8.541 1.00 0.00 C ATOM 0 H ILE A 140 8.357 -3.922 10.592 1.00 0.00 H new ATOM 0 HA ILE A 140 10.111 -4.715 8.600 1.00 0.00 H new ATOM 0 HB ILE A 140 9.643 -2.497 7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.173 -1.898 10.142 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.705 -1.188 9.672 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.192 -2.767 7.404 1.00 0.00 H new ATOM 0 HG22 ILE A 140 8.034 -4.332 7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.227 -3.843 8.820 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.852 0.340 9.215 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.637 -0.160 7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.082 -0.882 8.175 1.00 0.00 H new ATOM 1929 N SER A 141 11.408 -2.457 10.630 1.00 0.00 N ATOM 1930 CA SER A 141 12.663 -1.795 10.992 1.00 0.00 C ATOM 1931 C SER A 141 13.817 -2.799 11.130 1.00 0.00 C ATOM 1932 O SER A 141 14.957 -2.508 10.756 1.00 0.00 O ATOM 1933 CB SER A 141 12.491 -0.982 12.281 1.00 0.00 C ATOM 1934 OG SER A 141 11.844 -1.747 13.286 1.00 0.00 O ATOM 0 H SER A 141 10.639 -2.291 11.279 1.00 0.00 H new ATOM 0 HA SER A 141 12.921 -1.113 10.182 1.00 0.00 H new ATOM 0 HB2 SER A 141 13.466 -0.654 12.641 1.00 0.00 H new ATOM 0 HB3 SER A 141 11.910 -0.084 12.073 1.00 0.00 H new ATOM 0 HG SER A 141 10.887 -1.537 13.291 1.00 0.00 H new ATOM 1940 N SER A 142 13.517 -3.974 11.654 1.00 0.00 N ATOM 1941 CA SER A 142 14.519 -5.010 11.817 1.00 0.00 C ATOM 1942 C SER A 142 14.680 -5.812 10.521 1.00 0.00 C ATOM 1943 O SER A 142 15.802 -6.059 10.058 1.00 0.00 O ATOM 1944 CB SER A 142 14.138 -5.938 12.980 1.00 0.00 C ATOM 1945 OG SER A 142 15.117 -6.939 13.182 1.00 0.00 O ATOM 0 H SER A 142 12.584 -4.234 11.975 1.00 0.00 H new ATOM 0 HA SER A 142 15.474 -4.537 12.047 1.00 0.00 H new ATOM 0 HB2 SER A 142 14.021 -5.352 13.892 1.00 0.00 H new ATOM 0 HB3 SER A 142 13.175 -6.405 12.775 1.00 0.00 H new ATOM 0 HG SER A 142 14.848 -7.513 13.929 1.00 0.00 H new ATOM 1951 N SER A 143 13.553 -6.183 9.927 1.00 0.00 N ATOM 1952 CA SER A 143 13.538 -6.989 8.715 1.00 0.00 C ATOM 1953 C SER A 143 14.287 -6.301 7.558 1.00 0.00 C ATOM 1954 O SER A 143 15.107 -6.929 6.884 1.00 0.00 O ATOM 1955 CB SER A 143 12.087 -7.311 8.323 1.00 0.00 C ATOM 1956 OG SER A 143 12.019 -8.073 7.130 1.00 0.00 O ATOM 0 H SER A 143 12.626 -5.934 10.272 1.00 0.00 H new ATOM 0 HA SER A 143 14.065 -7.921 8.919 1.00 0.00 H new ATOM 0 HB2 SER A 143 11.605 -7.860 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 143 11.531 -6.382 8.193 1.00 0.00 H new ATOM 0 HG SER A 143 11.323 -8.757 7.218 1.00 0.00 H new ATOM 1962 N SER A 144 14.030 -5.007 7.365 1.00 0.00 N ATOM 1963 CA SER A 144 14.657 -4.235 6.287 1.00 0.00 C ATOM 1964 C SER A 144 16.173 -4.104 6.487 1.00 0.00 C ATOM 1965 O SER A 144 16.909 -3.796 5.552 1.00 0.00 O ATOM 1966 CB SER A 144 14.026 -2.840 6.188 1.00 0.00 C ATOM 1967 OG SER A 144 12.620 -2.919 6.013 1.00 0.00 O ATOM 0 H SER A 144 13.388 -4.467 7.945 1.00 0.00 H new ATOM 0 HA SER A 144 14.484 -4.778 5.358 1.00 0.00 H new ATOM 0 HB2 SER A 144 14.250 -2.273 7.091 1.00 0.00 H new ATOM 0 HB3 SER A 144 14.468 -2.297 5.352 1.00 0.00 H new ATOM 0 HG SER A 144 12.192 -3.087 6.878 1.00 0.00 H new