USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 996 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 83 ASN : amide:sc= 1.71 K(o=2.7,f=-5.1) USER MOD Set 1.2: B 122 LYS NZ :NH3+ -146:sc= 0.973 (180deg=-1.41!) USER MOD Set 2.1: B 114 THR OG1 : rot 86:sc= 1.76 USER MOD Set 2.2: B 117 LYS NZ :NH3+ 174:sc= 1.08 (180deg=0.238) USER MOD Set 3.1: B 108 TYR OH : rot 180:sc= 0.305 USER MOD Set 3.2: B 112 GLN : amide:sc= 0.793 K(o=1.1,f=1.8) USER MOD Set 4.1: A 123 LYS NZ :NH3+ 147:sc= 2.4 (180deg=-0.0187) USER MOD Set 4.2: B 82 SER OG : rot -133:sc= 1.93 USER MOD Set 4.3: B 83 ASN : amide:sc= -0.0269 K(o=4.3,f=-1.9) USER MOD Set 5.1: A 114 THR OG1 : rot 84:sc= 1.88 USER MOD Set 5.2: A 117 LYS NZ :NH3+ -115:sc= 0.557 (180deg=-0.376!) USER MOD Set 6.1: A 108 TYR OH : rot -151:sc= 1.17 USER MOD Set 6.2: A 112 GLN : amide:sc= 1.15 K(o=2.3,f=0.82) USER MOD Set 7.1: A 82 SER OG : rot -62:sc= 0.315 USER MOD Set 7.2: B 123 LYS NZ :NH3+ 144:sc= 1.54 (180deg=-0.187) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 28:sc= 1.35 USER MOD Single : A 79 TYR OH : rot 2:sc= 1.16 USER MOD Single : A 81 GLN : amide:sc= 1.13 K(o=1.1,f=-0.049) USER MOD Single : A 88 SER OG : rot 81:sc= 1.06 USER MOD Single : A 96 ASN : amide:sc= 1.07 K(o=1.1,f=-0.35) USER MOD Single : A 97 GLN : amide:sc= 0.679 K(o=0.68,f=-0.92) USER MOD Single : A 100 GLN : amide:sc= 1.11 K(o=1.1,f=-0.00056) USER MOD Single : A 101 SER OG : rot -84:sc= 1.08 USER MOD Single : A 103 GLN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 107 ASN : amide:sc= -1.04 K(o=-1,f=-0.056) USER MOD Single : A 111 THR OG1 : rot 77:sc= 0.863 USER MOD Single : A 115 TYR OH : rot -19:sc= 1.16 USER MOD Single : A 120 ASN : amide:sc= 0.674 K(o=0.67,f=-3.8) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 178:sc= 0.169 (180deg=0.113) USER MOD Single : A 125 TYR OH : rot 180:sc= 0.518 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 71 CYS SG : rot 49:sc= 1.32 USER MOD Single : B 79 TYR OH : rot 130:sc= 0 USER MOD Single : B 81 GLN : amide:sc= 1.06 K(o=1.1,f=-0.03) USER MOD Single : B 88 SER OG : rot -71:sc= 0.906 USER MOD Single : B 96 ASN : amide:sc= 0.585 K(o=0.58,f=-7.6!) USER MOD Single : B 97 GLN : amide:sc= 0.802 K(o=0.8,f=0) USER MOD Single : B 100 GLN : amide:sc= 0.973 K(o=0.97,f=0) USER MOD Single : B 101 SER OG : rot 180:sc= 0.0587 USER MOD Single : B 103 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : B 107 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.57) USER MOD Single : B 111 THR OG1 : rot 79:sc= 0.88 USER MOD Single : B 115 TYR OH : rot -27:sc= 1.1 USER MOD Single : B 120 ASN : amide:sc= 0.519 K(o=0.52,f=-5.3!) USER MOD Single : B 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 125 TYR OH : rot 170:sc= 0.365 USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -7.625 10.203 -6.767 1.00 0.00 N ATOM 115 CA LEU A 68 -8.185 9.176 -5.885 1.00 0.00 C ATOM 116 C LEU A 68 -9.708 9.166 -6.096 1.00 0.00 C ATOM 117 O LEU A 68 -10.481 9.731 -5.331 1.00 0.00 O ATOM 118 CB LEU A 68 -7.664 9.361 -4.446 1.00 0.00 C ATOM 119 CG LEU A 68 -7.063 8.081 -3.812 1.00 0.00 C ATOM 120 CD1 LEU A 68 -5.869 7.496 -4.578 1.00 0.00 C ATOM 121 CD2 LEU A 68 -6.540 8.468 -2.422 1.00 0.00 C ATOM 0 HA LEU A 68 -7.850 8.167 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.904 10.143 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.483 9.712 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.852 7.329 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.510 6.603 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.179 7.234 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.069 8.234 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.107 7.592 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.778 9.241 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.363 8.846 -1.816 1.00 0.00 H new ATOM 133 N SER A 69 -10.124 8.622 -7.248 1.00 0.00 N ATOM 134 CA SER A 69 -11.534 8.525 -7.631 1.00 0.00 C ATOM 135 C SER A 69 -12.319 7.577 -6.714 1.00 0.00 C ATOM 136 O SER A 69 -11.738 6.777 -5.987 1.00 0.00 O ATOM 137 CB SER A 69 -11.661 8.039 -9.080 1.00 0.00 C ATOM 138 OG SER A 69 -11.147 8.984 -9.998 1.00 0.00 O ATOM 0 H SER A 69 -9.485 8.235 -7.943 1.00 0.00 H new ATOM 0 HA SER A 69 -11.958 9.524 -7.532 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.129 7.095 -9.195 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.709 7.844 -9.307 1.00 0.00 H new ATOM 0 HG SER A 69 -11.243 8.640 -10.910 1.00 0.00 H new ATOM 144 N ALA A 70 -13.651 7.647 -6.791 1.00 0.00 N ATOM 145 CA ALA A 70 -14.569 6.918 -5.919 1.00 0.00 C ATOM 146 C ALA A 70 -14.133 5.487 -5.557 1.00 0.00 C ATOM 147 O ALA A 70 -14.003 5.171 -4.387 1.00 0.00 O ATOM 148 CB ALA A 70 -15.971 6.938 -6.538 1.00 0.00 C ATOM 0 H ALA A 70 -14.130 8.227 -7.479 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.565 7.440 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.662 6.396 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.307 7.969 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.943 6.463 -7.519 1.00 0.00 H new ATOM 154 N CYS A 71 -13.885 4.610 -6.532 1.00 0.00 N ATOM 155 CA CYS A 71 -13.465 3.240 -6.237 1.00 0.00 C ATOM 156 C CYS A 71 -12.170 3.130 -5.404 1.00 0.00 C ATOM 157 O CYS A 71 -12.185 2.521 -4.338 1.00 0.00 O ATOM 158 CB CYS A 71 -13.426 2.388 -7.513 1.00 0.00 C ATOM 159 SG CYS A 71 -12.585 3.207 -8.887 1.00 0.00 S ATOM 0 H CYS A 71 -13.967 4.823 -7.526 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.232 2.828 -5.581 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.924 1.445 -7.298 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.446 2.145 -7.812 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.702 4.039 -8.421 1.00 0.00 H new ATOM 165 N GLU A 72 -11.040 3.706 -5.819 1.00 0.00 N ATOM 166 CA GLU A 72 -9.832 3.612 -4.995 1.00 0.00 C ATOM 167 C GLU A 72 -9.956 4.382 -3.660 1.00 0.00 C ATOM 168 O GLU A 72 -9.488 3.923 -2.619 1.00 0.00 O ATOM 169 CB GLU A 72 -8.582 3.981 -5.805 1.00 0.00 C ATOM 170 CG GLU A 72 -8.689 5.319 -6.554 1.00 0.00 C ATOM 171 CD GLU A 72 -9.150 5.161 -7.986 1.00 0.00 C ATOM 172 OE1 GLU A 72 -10.361 4.992 -8.240 1.00 0.00 O ATOM 173 OE2 GLU A 72 -8.274 5.245 -8.866 1.00 0.00 O ATOM 0 H GLU A 72 -10.935 4.226 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.715 2.569 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.726 4.022 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.383 3.188 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.384 5.971 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.718 5.813 -6.544 1.00 0.00 H new ATOM 180 N VAL A 73 -10.625 5.532 -3.649 1.00 0.00 N ATOM 181 CA VAL A 73 -10.882 6.262 -2.403 1.00 0.00 C ATOM 182 C VAL A 73 -11.776 5.455 -1.440 1.00 0.00 C ATOM 183 O VAL A 73 -11.574 5.466 -0.230 1.00 0.00 O ATOM 184 CB VAL A 73 -11.403 7.677 -2.727 1.00 0.00 C ATOM 185 CG1 VAL A 73 -12.895 7.888 -2.521 1.00 0.00 C ATOM 186 CG2 VAL A 73 -10.664 8.730 -1.898 1.00 0.00 C ATOM 0 H VAL A 73 -11.000 5.981 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.948 6.392 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.210 7.786 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.156 8.915 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.451 7.202 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.149 7.699 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.047 9.721 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.819 8.533 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.598 8.688 -2.123 1.00 0.00 H new ATOM 196 N ALA A 74 -12.736 4.710 -1.988 1.00 0.00 N ATOM 197 CA ALA A 74 -13.621 3.823 -1.237 1.00 0.00 C ATOM 198 C ALA A 74 -12.907 2.541 -0.782 1.00 0.00 C ATOM 199 O ALA A 74 -13.114 2.044 0.323 1.00 0.00 O ATOM 200 CB ALA A 74 -14.861 3.517 -2.081 1.00 0.00 C ATOM 0 H ALA A 74 -12.923 4.707 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 74 -13.931 4.330 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.525 2.855 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.383 4.446 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.559 3.032 -3.009 1.00 0.00 H new ATOM 206 N VAL A 75 -11.995 1.986 -1.578 1.00 0.00 N ATOM 207 CA VAL A 75 -11.203 0.866 -1.070 1.00 0.00 C ATOM 208 C VAL A 75 -10.336 1.326 0.105 1.00 0.00 C ATOM 209 O VAL A 75 -10.237 0.655 1.129 1.00 0.00 O ATOM 210 CB VAL A 75 -10.415 0.163 -2.179 1.00 0.00 C ATOM 211 CG1 VAL A 75 -8.961 0.613 -2.343 1.00 0.00 C ATOM 212 CG2 VAL A 75 -10.432 -1.340 -1.888 1.00 0.00 C ATOM 0 H VAL A 75 -11.791 2.276 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.881 0.103 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.907 0.428 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.496 0.053 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.934 1.678 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.417 0.430 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.877 -1.867 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.969 -1.528 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.462 -1.696 -1.873 1.00 0.00 H new ATOM 222 N LEU A 76 -9.761 2.522 -0.003 1.00 0.00 N ATOM 223 CA LEU A 76 -9.121 3.202 1.127 1.00 0.00 C ATOM 224 C LEU A 76 -10.015 3.329 2.380 1.00 0.00 C ATOM 225 O LEU A 76 -9.515 3.353 3.504 1.00 0.00 O ATOM 226 CB LEU A 76 -8.468 4.499 0.656 1.00 0.00 C ATOM 227 CG LEU A 76 -7.134 4.174 -0.044 1.00 0.00 C ATOM 228 CD1 LEU A 76 -6.721 5.351 -0.914 1.00 0.00 C ATOM 229 CD2 LEU A 76 -5.996 3.914 0.956 1.00 0.00 C ATOM 0 H LEU A 76 -9.724 3.049 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.318 2.563 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.132 5.026 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.295 5.161 1.504 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.296 3.272 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.778 5.123 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.490 5.537 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.599 6.238 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.078 3.690 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.845 4.799 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.257 3.068 1.592 1.00 0.00 H new ATOM 241 N ASP A 77 -11.341 3.280 2.222 1.00 0.00 N ATOM 242 CA ASP A 77 -12.267 3.194 3.339 1.00 0.00 C ATOM 243 C ASP A 77 -12.310 1.762 3.900 1.00 0.00 C ATOM 244 O ASP A 77 -12.223 1.581 5.109 1.00 0.00 O ATOM 245 CB ASP A 77 -13.622 3.834 2.959 1.00 0.00 C ATOM 246 CG ASP A 77 -14.722 2.933 2.417 1.00 0.00 C ATOM 247 OD1 ASP A 77 -14.871 1.776 2.871 1.00 0.00 O ATOM 248 OD2 ASP A 77 -15.437 3.371 1.496 1.00 0.00 O ATOM 0 H ASP A 77 -11.797 3.299 1.310 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.919 3.789 4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.011 4.337 3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.427 4.605 2.214 1.00 0.00 H new ATOM 253 N LEU A 78 -12.321 0.715 3.069 1.00 0.00 N ATOM 254 CA LEU A 78 -12.130 -0.645 3.557 1.00 0.00 C ATOM 255 C LEU A 78 -10.844 -0.738 4.391 1.00 0.00 C ATOM 256 O LEU A 78 -10.822 -1.370 5.448 1.00 0.00 O ATOM 257 CB LEU A 78 -12.131 -1.639 2.384 1.00 0.00 C ATOM 258 CG LEU A 78 -13.522 -1.979 1.845 1.00 0.00 C ATOM 259 CD1 LEU A 78 -13.343 -2.915 0.647 1.00 0.00 C ATOM 260 CD2 LEU A 78 -14.411 -2.672 2.888 1.00 0.00 C ATOM 0 H LEU A 78 -12.460 0.787 2.061 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.961 -0.911 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.531 -1.226 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.643 -2.560 2.704 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.017 -1.048 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.320 -3.176 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.752 -2.415 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.830 -3.822 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.385 -2.889 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.941 -3.602 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.539 -2.017 3.750 1.00 0.00 H new ATOM 272 N TYR A 79 -9.762 -0.095 3.948 1.00 0.00 N ATOM 273 CA TYR A 79 -8.549 0.006 4.743 1.00 0.00 C ATOM 274 C TYR A 79 -8.783 0.674 6.118 1.00 0.00 C ATOM 275 O TYR A 79 -8.559 0.022 7.147 1.00 0.00 O ATOM 276 CB TYR A 79 -7.432 0.640 3.898 1.00 0.00 C ATOM 277 CG TYR A 79 -6.921 -0.294 2.815 1.00 0.00 C ATOM 278 CD1 TYR A 79 -6.181 -1.418 3.205 1.00 0.00 C ATOM 279 CD2 TYR A 79 -7.457 -0.264 1.515 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.118 -2.545 2.376 1.00 0.00 C ATOM 281 CE2 TYR A 79 -7.536 -1.442 0.759 1.00 0.00 C ATOM 282 CZ TYR A 79 -6.908 -2.595 1.220 1.00 0.00 C ATOM 283 OH TYR A 79 -7.011 -3.761 0.528 1.00 0.00 O ATOM 0 H TYR A 79 -9.707 0.363 3.038 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.214 -0.996 5.011 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.804 1.556 3.438 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.605 0.924 4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.657 -1.415 4.149 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.808 0.668 1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.466 -3.369 2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.080 -1.455 -0.174 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.497 -4.459 0.985 1.00 0.00 H new ATOM 293 N GLU A 80 -9.252 1.926 6.167 1.00 0.00 N ATOM 294 CA GLU A 80 -9.288 2.718 7.405 1.00 0.00 C ATOM 295 C GLU A 80 -10.526 2.510 8.294 1.00 0.00 C ATOM 296 O GLU A 80 -10.427 2.529 9.520 1.00 0.00 O ATOM 297 CB GLU A 80 -9.017 4.191 7.099 1.00 0.00 C ATOM 298 CG GLU A 80 -7.523 4.405 6.782 1.00 0.00 C ATOM 299 CD GLU A 80 -6.567 4.324 7.983 1.00 0.00 C ATOM 300 OE1 GLU A 80 -7.034 4.038 9.111 1.00 0.00 O ATOM 301 OE2 GLU A 80 -5.355 4.524 7.764 1.00 0.00 O ATOM 0 H GLU A 80 -9.617 2.419 5.352 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.481 2.330 8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.625 4.512 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.307 4.806 7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.217 3.661 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.406 5.382 6.314 1.00 0.00 H new ATOM 308 N GLN A 81 -11.671 2.135 7.727 1.00 0.00 N ATOM 309 CA GLN A 81 -12.742 1.485 8.499 1.00 0.00 C ATOM 310 C GLN A 81 -12.231 0.235 9.246 1.00 0.00 C ATOM 311 O GLN A 81 -12.846 -0.239 10.204 1.00 0.00 O ATOM 312 CB GLN A 81 -13.937 1.103 7.609 1.00 0.00 C ATOM 313 CG GLN A 81 -14.683 2.302 7.002 1.00 0.00 C ATOM 314 CD GLN A 81 -16.064 1.890 6.504 1.00 0.00 C ATOM 315 OE1 GLN A 81 -17.007 1.811 7.280 1.00 0.00 O ATOM 316 NE2 GLN A 81 -16.236 1.598 5.228 1.00 0.00 N ATOM 0 H GLN A 81 -11.886 2.267 6.739 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.077 2.217 9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.583 0.463 6.801 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.640 0.513 8.198 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.782 3.090 7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.103 2.716 6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.451 1.663 4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.154 1.307 4.891 1.00 0.00 H new ATOM 325 N SER A 82 -11.102 -0.339 8.816 1.00 0.00 N ATOM 326 CA SER A 82 -10.402 -1.408 9.521 1.00 0.00 C ATOM 327 C SER A 82 -9.148 -0.925 10.293 1.00 0.00 C ATOM 328 O SER A 82 -8.485 -1.726 10.955 1.00 0.00 O ATOM 329 CB SER A 82 -10.102 -2.522 8.509 1.00 0.00 C ATOM 330 OG SER A 82 -8.722 -2.637 8.221 1.00 0.00 O ATOM 0 H SER A 82 -10.643 -0.064 7.948 1.00 0.00 H new ATOM 0 HA SER A 82 -11.045 -1.798 10.310 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.468 -3.471 8.900 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.647 -2.326 7.586 1.00 0.00 H new ATOM 0 HG SER A 82 -8.401 -1.803 7.818 1.00 0.00 H new ATOM 336 N ASN A 83 -8.785 0.348 10.177 1.00 0.00 N ATOM 337 CA ASN A 83 -7.457 0.905 10.425 1.00 0.00 C ATOM 338 C ASN A 83 -6.282 0.038 9.943 1.00 0.00 C ATOM 339 O ASN A 83 -5.492 -0.467 10.742 1.00 0.00 O ATOM 340 CB ASN A 83 -7.295 1.410 11.861 1.00 0.00 C ATOM 341 CG ASN A 83 -5.920 2.047 12.036 1.00 0.00 C ATOM 342 OD1 ASN A 83 -5.080 1.538 12.779 1.00 0.00 O ATOM 343 ND2 ASN A 83 -5.615 3.098 11.299 1.00 0.00 N ATOM 0 H ASN A 83 -9.451 1.065 9.889 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.402 1.780 9.778 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.074 2.137 12.090 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.414 0.584 12.562 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.677 3.496 11.342 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.317 3.513 10.687 1.00 0.00 H new ATOM 350 N ILE A 84 -6.136 -0.105 8.631 1.00 0.00 N ATOM 351 CA ILE A 84 -4.838 -0.329 7.982 1.00 0.00 C ATOM 352 C ILE A 84 -4.277 0.977 7.393 1.00 0.00 C ATOM 353 O ILE A 84 -4.829 1.472 6.415 1.00 0.00 O ATOM 354 CB ILE A 84 -5.006 -1.359 6.857 1.00 0.00 C ATOM 355 CG1 ILE A 84 -5.289 -2.757 7.413 1.00 0.00 C ATOM 356 CG2 ILE A 84 -3.748 -1.425 5.969 1.00 0.00 C ATOM 357 CD1 ILE A 84 -6.018 -3.596 6.367 1.00 0.00 C ATOM 0 H ILE A 84 -6.918 -0.069 7.977 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.138 -0.697 8.732 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.857 -1.032 6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.354 -3.242 7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.893 -2.683 8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.897 -2.163 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.567 -0.448 5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.889 -1.711 6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.216 -4.589 6.770 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.961 -3.115 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.398 -3.684 5.475 1.00 0.00 H new ATOM 369 N ARG A 85 -3.122 1.448 7.876 1.00 0.00 N ATOM 370 CA ARG A 85 -2.379 2.485 7.148 1.00 0.00 C ATOM 371 C ARG A 85 -1.869 1.891 5.819 1.00 0.00 C ATOM 372 O ARG A 85 -1.388 0.757 5.779 1.00 0.00 O ATOM 373 CB ARG A 85 -1.229 3.044 8.013 1.00 0.00 C ATOM 374 CG ARG A 85 -0.616 4.361 7.477 1.00 0.00 C ATOM 375 CD ARG A 85 0.649 4.734 8.278 1.00 0.00 C ATOM 376 NE ARG A 85 1.482 5.788 7.626 1.00 0.00 N ATOM 377 CZ ARG A 85 2.463 6.504 8.201 1.00 0.00 C ATOM 378 NH1 ARG A 85 2.760 6.350 9.477 1.00 0.00 N ATOM 379 NH2 ARG A 85 3.169 7.362 7.499 1.00 0.00 N ATOM 0 H ARG A 85 -2.689 1.138 8.746 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.036 3.326 6.924 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.599 3.213 9.024 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.443 2.292 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.366 4.250 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.349 5.165 7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.353 5.078 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.256 3.840 8.420 1.00 0.00 H new ATOM 0 HE ARG A 85 1.286 5.984 6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.242 5.679 10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.508 6.902 9.897 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.975 7.490 6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.911 7.899 7.947 1.00 0.00 H new ATOM 393 N ILE A 86 -1.976 2.630 4.718 1.00 0.00 N ATOM 394 CA ILE A 86 -1.454 2.251 3.400 1.00 0.00 C ATOM 395 C ILE A 86 -0.195 3.075 3.070 1.00 0.00 C ATOM 396 O ILE A 86 -0.269 4.298 3.134 1.00 0.00 O ATOM 397 CB ILE A 86 -2.575 2.419 2.360 1.00 0.00 C ATOM 398 CG1 ILE A 86 -3.636 1.307 2.472 1.00 0.00 C ATOM 399 CG2 ILE A 86 -2.001 2.430 0.945 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.122 -0.112 2.183 1.00 0.00 C ATOM 0 H ILE A 86 -2.442 3.537 4.714 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.145 1.206 3.391 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.058 3.374 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.057 1.327 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.449 1.530 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.810 2.550 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.299 3.258 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.483 1.490 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.941 -0.824 2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.729 -0.157 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.331 -0.363 2.889 1.00 0.00 H new ATOM 412 N PRO A 87 0.948 2.444 2.735 1.00 0.00 N ATOM 413 CA PRO A 87 2.116 3.168 2.255 1.00 0.00 C ATOM 414 C PRO A 87 1.776 3.995 1.006 1.00 0.00 C ATOM 415 O PRO A 87 1.212 3.456 0.059 1.00 0.00 O ATOM 416 CB PRO A 87 3.167 2.092 1.929 1.00 0.00 C ATOM 417 CG PRO A 87 2.734 0.860 2.726 1.00 0.00 C ATOM 418 CD PRO A 87 1.212 1.010 2.752 1.00 0.00 C ATOM 0 HA PRO A 87 2.482 3.874 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.196 1.880 0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.167 2.417 2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.044 -0.067 2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.160 0.854 3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.757 0.520 1.891 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.790 0.546 3.643 1.00 0.00 H new ATOM 426 N SER A 88 2.149 5.269 0.957 1.00 0.00 N ATOM 427 CA SER A 88 2.018 6.142 -0.211 1.00 0.00 C ATOM 428 C SER A 88 2.448 5.441 -1.511 1.00 0.00 C ATOM 429 O SER A 88 1.768 5.526 -2.531 1.00 0.00 O ATOM 430 CB SER A 88 2.845 7.409 0.031 1.00 0.00 C ATOM 431 OG SER A 88 2.449 8.050 1.230 1.00 0.00 O ATOM 0 H SER A 88 2.567 5.743 1.758 1.00 0.00 H new ATOM 0 HA SER A 88 0.967 6.402 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.903 7.153 0.083 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.724 8.093 -0.809 1.00 0.00 H new ATOM 0 HG SER A 88 2.870 7.603 1.994 1.00 0.00 H new ATOM 437 N ASP A 89 3.549 4.686 -1.476 1.00 0.00 N ATOM 438 CA ASP A 89 3.995 3.837 -2.570 1.00 0.00 C ATOM 439 C ASP A 89 2.892 2.908 -3.131 1.00 0.00 C ATOM 440 O ASP A 89 2.735 2.806 -4.345 1.00 0.00 O ATOM 441 CB ASP A 89 5.181 3.008 -2.067 1.00 0.00 C ATOM 442 CG ASP A 89 6.392 3.815 -1.651 1.00 0.00 C ATOM 443 OD1 ASP A 89 6.245 4.653 -0.737 1.00 0.00 O ATOM 444 OD2 ASP A 89 7.460 3.531 -2.235 1.00 0.00 O ATOM 0 H ASP A 89 4.166 4.651 -0.664 1.00 0.00 H new ATOM 0 HA ASP A 89 4.279 4.483 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.853 2.409 -1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.478 2.312 -2.852 1.00 0.00 H new ATOM 449 N ILE A 90 2.116 2.224 -2.272 1.00 0.00 N ATOM 450 CA ILE A 90 0.939 1.464 -2.727 1.00 0.00 C ATOM 451 C ILE A 90 0.035 2.357 -3.570 1.00 0.00 C ATOM 452 O ILE A 90 -0.424 1.952 -4.625 1.00 0.00 O ATOM 453 CB ILE A 90 0.097 0.898 -1.560 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.697 -0.325 -0.857 1.00 0.00 C ATOM 455 CG2 ILE A 90 -1.362 0.590 -1.959 1.00 0.00 C ATOM 456 CD1 ILE A 90 0.660 -1.576 -1.730 1.00 0.00 C ATOM 0 H ILE A 90 2.281 2.182 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 90 1.324 0.626 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 90 0.109 1.717 -0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.729 -0.110 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.150 -0.514 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.900 0.196 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.846 1.504 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.372 -0.148 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.097 -2.413 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.373 -1.810 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.230 -1.400 -2.642 1.00 0.00 H new ATOM 468 N ILE A 91 -0.274 3.553 -3.081 1.00 0.00 N ATOM 469 CA ILE A 91 -1.217 4.452 -3.732 1.00 0.00 C ATOM 470 C ILE A 91 -0.660 4.924 -5.080 1.00 0.00 C ATOM 471 O ILE A 91 -1.373 4.879 -6.076 1.00 0.00 O ATOM 472 CB ILE A 91 -1.564 5.583 -2.743 1.00 0.00 C ATOM 473 CG1 ILE A 91 -2.320 4.956 -1.557 1.00 0.00 C ATOM 474 CG2 ILE A 91 -2.392 6.681 -3.415 1.00 0.00 C ATOM 475 CD1 ILE A 91 -2.469 5.870 -0.336 1.00 0.00 C ATOM 0 H ILE A 91 0.124 3.926 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.151 3.948 -3.980 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.650 6.062 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.313 4.658 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.801 4.047 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.619 7.462 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.826 7.108 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.322 6.256 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.014 5.344 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.482 6.149 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.018 6.768 -0.619 1.00 0.00 H new ATOM 487 N GLU A 92 0.619 5.297 -5.148 1.00 0.00 N ATOM 488 CA GLU A 92 1.281 5.587 -6.424 1.00 0.00 C ATOM 489 C GLU A 92 1.163 4.412 -7.416 1.00 0.00 C ATOM 490 O GLU A 92 0.690 4.581 -8.541 1.00 0.00 O ATOM 491 CB GLU A 92 2.743 5.981 -6.157 1.00 0.00 C ATOM 492 CG GLU A 92 3.596 6.179 -7.436 1.00 0.00 C ATOM 493 CD GLU A 92 2.962 6.943 -8.594 1.00 0.00 C ATOM 494 OE1 GLU A 92 2.131 7.850 -8.380 1.00 0.00 O ATOM 495 OE2 GLU A 92 3.269 6.596 -9.753 1.00 0.00 O ATOM 0 H GLU A 92 1.220 5.406 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 92 0.776 6.426 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.758 6.905 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.207 5.211 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.512 6.697 -7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.887 5.194 -7.802 1.00 0.00 H new ATOM 502 N ASP A 93 1.553 3.212 -6.975 1.00 0.00 N ATOM 503 CA ASP A 93 1.517 1.992 -7.768 1.00 0.00 C ATOM 504 C ASP A 93 0.088 1.680 -8.241 1.00 0.00 C ATOM 505 O ASP A 93 -0.171 1.464 -9.421 1.00 0.00 O ATOM 506 CB ASP A 93 2.131 0.869 -6.925 1.00 0.00 C ATOM 507 CG ASP A 93 2.120 -0.455 -7.654 1.00 0.00 C ATOM 508 OD1 ASP A 93 2.331 -0.436 -8.883 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.876 -1.479 -6.984 1.00 0.00 O ATOM 0 H ASP A 93 1.911 3.065 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 93 2.102 2.105 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.156 1.131 -6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.578 0.773 -5.990 1.00 0.00 H new ATOM 514 N LEU A 94 -0.885 1.735 -7.343 1.00 0.00 N ATOM 515 CA LEU A 94 -2.290 1.518 -7.696 1.00 0.00 C ATOM 516 C LEU A 94 -2.810 2.578 -8.672 1.00 0.00 C ATOM 517 O LEU A 94 -3.501 2.289 -9.648 1.00 0.00 O ATOM 518 CB LEU A 94 -3.184 1.460 -6.446 1.00 0.00 C ATOM 519 CG LEU A 94 -3.893 0.116 -6.306 1.00 0.00 C ATOM 520 CD1 LEU A 94 -5.019 0.322 -5.307 1.00 0.00 C ATOM 521 CD2 LEU A 94 -4.534 -0.428 -7.586 1.00 0.00 C ATOM 0 H LEU A 94 -0.730 1.930 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.336 0.552 -8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.578 1.643 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.926 2.257 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.133 -0.607 -6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.560 -0.614 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.604 0.644 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.702 1.085 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.010 -1.386 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.282 0.278 -7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.766 -0.564 -8.348 1.00 0.00 H new ATOM 533 N VAL A 95 -2.418 3.829 -8.451 1.00 0.00 N ATOM 534 CA VAL A 95 -2.582 4.921 -9.404 1.00 0.00 C ATOM 535 C VAL A 95 -1.566 4.823 -10.581 1.00 0.00 C ATOM 536 O VAL A 95 -1.298 5.817 -11.245 1.00 0.00 O ATOM 537 CB VAL A 95 -2.626 6.268 -8.640 1.00 0.00 C ATOM 538 CG1 VAL A 95 -2.945 7.482 -9.528 1.00 0.00 C ATOM 539 CG2 VAL A 95 -3.751 6.217 -7.589 1.00 0.00 C ATOM 0 H VAL A 95 -1.967 4.118 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.542 4.845 -9.914 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.630 6.392 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.957 8.385 -8.918 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.183 7.577 -10.302 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.921 7.345 -9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.787 7.163 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.706 6.047 -8.086 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.557 5.405 -6.888 1.00 0.00 H new ATOM 549 N ASN A 96 -1.051 3.626 -10.899 1.00 0.00 N ATOM 550 CA ASN A 96 -0.435 3.221 -12.173 1.00 0.00 C ATOM 551 C ASN A 96 -1.132 1.962 -12.725 1.00 0.00 C ATOM 552 O ASN A 96 -1.642 1.969 -13.842 1.00 0.00 O ATOM 553 CB ASN A 96 1.071 2.952 -12.012 1.00 0.00 C ATOM 554 CG ASN A 96 1.859 4.196 -11.649 1.00 0.00 C ATOM 555 OD1 ASN A 96 1.652 5.265 -12.213 1.00 0.00 O ATOM 556 ND2 ASN A 96 2.780 4.100 -10.711 1.00 0.00 N ATOM 0 H ASN A 96 -1.054 2.860 -10.225 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.559 4.044 -12.876 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.219 2.197 -11.240 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.462 2.539 -12.942 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.328 4.919 -10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.945 3.206 -10.248 1.00 0.00 H new ATOM 563 N GLN A 97 -1.226 0.895 -11.931 1.00 0.00 N ATOM 564 CA GLN A 97 -1.970 -0.323 -12.259 1.00 0.00 C ATOM 565 C GLN A 97 -3.475 -0.089 -12.024 1.00 0.00 C ATOM 566 O GLN A 97 -4.108 -0.688 -11.160 1.00 0.00 O ATOM 567 CB GLN A 97 -1.433 -1.544 -11.479 1.00 0.00 C ATOM 568 CG GLN A 97 0.051 -1.529 -11.074 1.00 0.00 C ATOM 569 CD GLN A 97 1.041 -0.999 -12.100 1.00 0.00 C ATOM 570 OE1 GLN A 97 0.839 -1.080 -13.306 1.00 0.00 O ATOM 571 NE2 GLN A 97 2.144 -0.444 -11.634 1.00 0.00 N ATOM 0 H GLN A 97 -0.775 0.852 -11.017 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.825 -0.555 -13.314 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.028 -1.653 -10.572 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.608 -2.434 -12.084 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.149 -0.931 -10.168 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.342 -2.547 -10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.299 -0.384 -10.628 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.842 -0.076 -12.280 1.00 0.00 H new ATOM 580 N ARG A 98 -4.050 0.850 -12.770 1.00 0.00 N ATOM 581 CA ARG A 98 -5.376 1.393 -12.480 1.00 0.00 C ATOM 582 C ARG A 98 -6.536 0.432 -12.815 1.00 0.00 C ATOM 583 O ARG A 98 -7.171 0.549 -13.863 1.00 0.00 O ATOM 584 CB ARG A 98 -5.531 2.755 -13.156 1.00 0.00 C ATOM 585 CG ARG A 98 -4.356 3.688 -12.818 1.00 0.00 C ATOM 586 CD ARG A 98 -4.603 5.176 -13.081 1.00 0.00 C ATOM 587 NE ARG A 98 -5.896 5.687 -12.583 1.00 0.00 N ATOM 588 CZ ARG A 98 -6.546 5.471 -11.439 1.00 0.00 C ATOM 589 NH1 ARG A 98 -6.175 4.643 -10.482 1.00 0.00 N ATOM 590 NH2 ARG A 98 -7.646 6.136 -11.231 1.00 0.00 N ATOM 0 H ARG A 98 -3.610 1.258 -13.595 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.444 1.523 -11.400 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.592 2.622 -14.236 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.466 3.216 -12.838 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.103 3.559 -11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.487 3.374 -13.395 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.800 5.750 -12.620 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.547 5.355 -14.155 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.376 6.315 -13.227 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.319 4.097 -10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.744 4.548 -9.641 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.983 6.796 -11.932 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.170 5.997 -10.367 1.00 0.00 H new ATOM 604 N LEU A 99 -6.812 -0.497 -11.900 1.00 0.00 N ATOM 605 CA LEU A 99 -7.918 -1.460 -11.969 1.00 0.00 C ATOM 606 C LEU A 99 -9.301 -0.778 -11.930 1.00 0.00 C ATOM 607 O LEU A 99 -9.399 0.434 -11.731 1.00 0.00 O ATOM 608 CB LEU A 99 -7.753 -2.521 -10.868 1.00 0.00 C ATOM 609 CG LEU A 99 -6.310 -3.026 -10.673 1.00 0.00 C ATOM 610 CD1 LEU A 99 -6.287 -4.231 -9.736 1.00 0.00 C ATOM 611 CD2 LEU A 99 -5.640 -3.449 -11.985 1.00 0.00 C ATOM 0 H LEU A 99 -6.250 -0.606 -11.055 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.874 -1.961 -12.936 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.109 -2.105 -9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.393 -3.372 -11.103 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.758 -2.185 -10.253 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.260 -4.574 -9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.696 -3.946 -8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.888 -5.034 -10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.627 -3.795 -11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.213 -4.255 -12.443 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.603 -2.598 -12.665 1.00 0.00 H new ATOM 623 N GLN A 100 -10.378 -1.529 -12.170 1.00 0.00 N ATOM 624 CA GLN A 100 -11.721 -0.978 -12.349 1.00 0.00 C ATOM 625 C GLN A 100 -12.457 -0.811 -11.009 1.00 0.00 C ATOM 626 O GLN A 100 -12.832 0.302 -10.645 1.00 0.00 O ATOM 627 CB GLN A 100 -12.468 -1.868 -13.360 1.00 0.00 C ATOM 628 CG GLN A 100 -14.000 -1.718 -13.381 1.00 0.00 C ATOM 629 CD GLN A 100 -14.684 -2.923 -14.016 1.00 0.00 C ATOM 630 OE1 GLN A 100 -15.403 -2.799 -14.998 1.00 0.00 O ATOM 631 NE2 GLN A 100 -14.505 -4.105 -13.453 1.00 0.00 N ATOM 0 H GLN A 100 -10.341 -2.545 -12.246 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.667 0.033 -12.752 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.087 -1.651 -14.358 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.227 -2.909 -13.146 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.365 -1.589 -12.362 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.268 -0.817 -13.932 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.903 -4.194 -12.635 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.969 -4.928 -13.837 1.00 0.00 H new ATOM 640 N SER A 101 -12.736 -1.912 -10.310 1.00 0.00 N ATOM 641 CA SER A 101 -13.635 -1.936 -9.148 1.00 0.00 C ATOM 642 C SER A 101 -12.916 -2.056 -7.796 1.00 0.00 C ATOM 643 O SER A 101 -11.787 -2.540 -7.708 1.00 0.00 O ATOM 644 CB SER A 101 -14.643 -3.084 -9.296 1.00 0.00 C ATOM 645 OG SER A 101 -14.029 -4.317 -8.981 1.00 0.00 O ATOM 0 H SER A 101 -12.341 -2.825 -10.535 1.00 0.00 H new ATOM 0 HA SER A 101 -14.140 -0.970 -9.140 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.496 -2.916 -8.638 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.027 -3.111 -10.316 1.00 0.00 H new ATOM 0 HG SER A 101 -13.564 -4.662 -9.772 1.00 0.00 H new ATOM 651 N GLU A 102 -13.606 -1.668 -6.715 1.00 0.00 N ATOM 652 CA GLU A 102 -13.154 -1.863 -5.335 1.00 0.00 C ATOM 653 C GLU A 102 -12.611 -3.277 -5.065 1.00 0.00 C ATOM 654 O GLU A 102 -11.603 -3.453 -4.385 1.00 0.00 O ATOM 655 CB GLU A 102 -14.292 -1.548 -4.361 1.00 0.00 C ATOM 656 CG GLU A 102 -14.682 -0.064 -4.345 1.00 0.00 C ATOM 657 CD GLU A 102 -15.453 0.290 -3.085 1.00 0.00 C ATOM 658 OE1 GLU A 102 -14.830 0.257 -2.003 1.00 0.00 O ATOM 659 OE2 GLU A 102 -16.669 0.526 -3.197 1.00 0.00 O ATOM 0 H GLU A 102 -14.511 -1.201 -6.779 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.324 -1.174 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.165 -2.143 -4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -13.996 -1.850 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.784 0.551 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.289 0.164 -5.221 1.00 0.00 H new ATOM 666 N GLN A 103 -13.274 -4.295 -5.610 1.00 0.00 N ATOM 667 CA GLN A 103 -12.858 -5.680 -5.435 1.00 0.00 C ATOM 668 C GLN A 103 -11.450 -5.907 -6.012 1.00 0.00 C ATOM 669 O GLN A 103 -10.566 -6.463 -5.365 1.00 0.00 O ATOM 670 CB GLN A 103 -13.911 -6.605 -6.065 1.00 0.00 C ATOM 671 CG GLN A 103 -13.753 -8.067 -5.608 1.00 0.00 C ATOM 672 CD GLN A 103 -14.508 -8.444 -4.332 1.00 0.00 C ATOM 673 OE1 GLN A 103 -14.852 -9.600 -4.137 1.00 0.00 O ATOM 674 NE2 GLN A 103 -14.800 -7.514 -3.439 1.00 0.00 N ATOM 0 H GLN A 103 -14.111 -4.181 -6.182 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.793 -5.916 -4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.907 -6.250 -5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.832 -6.556 -7.151 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.089 -8.719 -6.414 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.693 -8.269 -5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.515 -6.548 -3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.310 -7.763 -2.592 1.00 0.00 H new ATOM 683 N GLU A 104 -11.217 -5.446 -7.234 1.00 0.00 N ATOM 684 CA GLU A 104 -9.931 -5.592 -7.898 1.00 0.00 C ATOM 685 C GLU A 104 -8.834 -4.865 -7.126 1.00 0.00 C ATOM 686 O GLU A 104 -7.790 -5.439 -6.809 1.00 0.00 O ATOM 687 CB GLU A 104 -10.047 -5.011 -9.297 1.00 0.00 C ATOM 688 CG GLU A 104 -11.105 -5.733 -10.132 1.00 0.00 C ATOM 689 CD GLU A 104 -11.518 -4.826 -11.275 1.00 0.00 C ATOM 690 OE1 GLU A 104 -10.613 -4.294 -11.950 1.00 0.00 O ATOM 691 OE2 GLU A 104 -12.727 -4.514 -11.340 1.00 0.00 O ATOM 0 H GLU A 104 -11.918 -4.959 -7.793 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.665 -6.648 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.298 -3.953 -9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.082 -5.078 -9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.707 -6.671 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.969 -5.983 -9.516 1.00 0.00 H new ATOM 698 N VAL A 105 -9.083 -3.597 -6.789 1.00 0.00 N ATOM 699 CA VAL A 105 -8.093 -2.835 -6.042 1.00 0.00 C ATOM 700 C VAL A 105 -7.830 -3.484 -4.681 1.00 0.00 C ATOM 701 O VAL A 105 -6.676 -3.607 -4.293 1.00 0.00 O ATOM 702 CB VAL A 105 -8.378 -1.325 -5.973 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.225 -0.666 -7.351 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.768 -0.956 -5.472 1.00 0.00 C ATOM 0 H VAL A 105 -9.939 -3.091 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.162 -2.881 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.643 -0.962 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.433 0.401 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.207 -0.811 -7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.926 -1.120 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.874 0.129 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.519 -1.386 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.907 -1.346 -4.464 1.00 0.00 H new ATOM 714 N LEU A 106 -8.843 -4.004 -3.978 1.00 0.00 N ATOM 715 CA LEU A 106 -8.540 -4.721 -2.734 1.00 0.00 C ATOM 716 C LEU A 106 -7.720 -6.001 -2.951 1.00 0.00 C ATOM 717 O LEU A 106 -6.826 -6.278 -2.150 1.00 0.00 O ATOM 718 CB LEU A 106 -9.740 -4.876 -1.787 1.00 0.00 C ATOM 719 CG LEU A 106 -10.820 -5.908 -2.126 1.00 0.00 C ATOM 720 CD1 LEU A 106 -10.379 -7.374 -1.998 1.00 0.00 C ATOM 721 CD2 LEU A 106 -12.038 -5.654 -1.233 1.00 0.00 C ATOM 0 H LEU A 106 -9.830 -3.948 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.869 -4.062 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.351 -5.119 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.226 -3.904 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.054 -5.772 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.211 -8.028 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.544 -7.563 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.069 -7.572 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.816 -6.382 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.749 -5.751 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.418 -4.648 -1.413 1.00 0.00 H new ATOM 733 N ASN A 107 -7.951 -6.766 -4.030 1.00 0.00 N ATOM 734 CA ASN A 107 -7.093 -7.920 -4.335 1.00 0.00 C ATOM 735 C ASN A 107 -5.628 -7.476 -4.501 1.00 0.00 C ATOM 736 O ASN A 107 -4.715 -7.969 -3.830 1.00 0.00 O ATOM 737 CB ASN A 107 -7.556 -8.630 -5.618 1.00 0.00 C ATOM 738 CG ASN A 107 -8.865 -9.398 -5.491 1.00 0.00 C ATOM 739 OD1 ASN A 107 -8.946 -10.403 -4.799 1.00 0.00 O ATOM 740 ND2 ASN A 107 -9.897 -8.970 -6.196 1.00 0.00 N ATOM 0 H ASN A 107 -8.710 -6.610 -4.694 1.00 0.00 H new ATOM 0 HA ASN A 107 -7.169 -8.616 -3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.663 -7.887 -6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.775 -9.322 -5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.780 -9.480 -6.169 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.811 -8.130 -6.768 1.00 0.00 H new ATOM 747 N TYR A 108 -5.414 -6.517 -5.400 1.00 0.00 N ATOM 748 CA TYR A 108 -4.099 -5.974 -5.709 1.00 0.00 C ATOM 749 C TYR A 108 -3.403 -5.390 -4.471 1.00 0.00 C ATOM 750 O TYR A 108 -2.265 -5.740 -4.160 1.00 0.00 O ATOM 751 CB TYR A 108 -4.273 -4.939 -6.820 1.00 0.00 C ATOM 752 CG TYR A 108 -2.967 -4.435 -7.391 1.00 0.00 C ATOM 753 CD1 TYR A 108 -2.299 -5.180 -8.378 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.375 -3.269 -6.875 1.00 0.00 C ATOM 755 CE1 TYR A 108 -1.021 -4.787 -8.804 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.127 -2.838 -7.357 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.429 -3.629 -8.281 1.00 0.00 C ATOM 758 OH TYR A 108 0.872 -3.386 -8.571 1.00 0.00 O ATOM 0 H TYR A 108 -6.165 -6.090 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.441 -6.773 -6.049 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.865 -5.377 -7.623 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.840 -4.093 -6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.768 -6.053 -8.808 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.880 -2.703 -6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.492 -5.378 -9.537 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.708 -1.902 -7.017 1.00 0.00 H new ATOM 0 HH TYR A 108 1.280 -2.875 -7.841 1.00 0.00 H new ATOM 768 N ILE A 109 -4.091 -4.529 -3.723 1.00 0.00 N ATOM 769 CA ILE A 109 -3.563 -3.935 -2.499 1.00 0.00 C ATOM 770 C ILE A 109 -3.168 -5.014 -1.484 1.00 0.00 C ATOM 771 O ILE A 109 -2.054 -4.987 -0.973 1.00 0.00 O ATOM 772 CB ILE A 109 -4.557 -2.944 -1.875 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.816 -1.744 -2.779 1.00 0.00 C ATOM 774 CG2 ILE A 109 -3.981 -2.370 -0.582 1.00 0.00 C ATOM 775 CD1 ILE A 109 -6.114 -1.057 -2.349 1.00 0.00 C ATOM 0 H ILE A 109 -5.037 -4.223 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.666 -3.379 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.478 -3.502 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -3.983 -1.043 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -4.888 -2.066 -3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.693 -1.668 -0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.792 -3.180 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.047 -1.852 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.302 -0.198 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.942 -1.761 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.023 -0.722 -1.316 1.00 0.00 H new ATOM 787 N GLU A 110 -4.037 -5.980 -1.164 1.00 0.00 N ATOM 788 CA GLU A 110 -3.662 -7.050 -0.232 1.00 0.00 C ATOM 789 C GLU A 110 -2.397 -7.814 -0.688 1.00 0.00 C ATOM 790 O GLU A 110 -1.534 -8.160 0.131 1.00 0.00 O ATOM 791 CB GLU A 110 -4.866 -7.975 0.042 1.00 0.00 C ATOM 792 CG GLU A 110 -5.235 -8.032 1.540 1.00 0.00 C ATOM 793 CD GLU A 110 -5.976 -6.810 2.054 1.00 0.00 C ATOM 794 OE1 GLU A 110 -5.494 -5.676 1.860 1.00 0.00 O ATOM 795 OE2 GLU A 110 -7.006 -7.016 2.729 1.00 0.00 O ATOM 0 H GLU A 110 -4.987 -6.044 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.387 -6.590 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.727 -7.625 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.636 -8.980 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.850 -8.915 1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.322 -8.158 2.121 1.00 0.00 H new ATOM 802 N THR A 111 -2.257 -8.032 -1.999 1.00 0.00 N ATOM 803 CA THR A 111 -1.049 -8.599 -2.609 1.00 0.00 C ATOM 804 C THR A 111 0.187 -7.708 -2.392 1.00 0.00 C ATOM 805 O THR A 111 1.138 -8.114 -1.721 1.00 0.00 O ATOM 806 CB THR A 111 -1.288 -8.900 -4.100 1.00 0.00 C ATOM 807 OG1 THR A 111 -2.454 -9.685 -4.233 1.00 0.00 O ATOM 808 CG2 THR A 111 -0.133 -9.699 -4.701 1.00 0.00 C ATOM 0 H THR A 111 -2.989 -7.817 -2.676 1.00 0.00 H new ATOM 0 HA THR A 111 -0.834 -9.541 -2.105 1.00 0.00 H new ATOM 0 HB THR A 111 -1.380 -7.946 -4.619 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.245 -9.116 -4.130 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.335 -9.894 -5.754 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.791 -9.129 -4.608 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.030 -10.645 -4.170 1.00 0.00 H new ATOM 816 N GLN A 112 0.180 -6.470 -2.886 1.00 0.00 N ATOM 817 CA GLN A 112 1.301 -5.542 -2.740 1.00 0.00 C ATOM 818 C GLN A 112 1.637 -5.233 -1.267 1.00 0.00 C ATOM 819 O GLN A 112 2.797 -5.101 -0.892 1.00 0.00 O ATOM 820 CB GLN A 112 1.010 -4.270 -3.543 1.00 0.00 C ATOM 821 CG GLN A 112 0.899 -4.486 -5.058 1.00 0.00 C ATOM 822 CD GLN A 112 2.229 -4.870 -5.679 1.00 0.00 C ATOM 823 OE1 GLN A 112 2.634 -6.025 -5.640 1.00 0.00 O ATOM 824 NE2 GLN A 112 2.948 -3.911 -6.224 1.00 0.00 N ATOM 0 H GLN A 112 -0.609 -6.080 -3.402 1.00 0.00 H new ATOM 0 HA GLN A 112 2.194 -6.021 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.079 -3.832 -3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.800 -3.544 -3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.166 -5.267 -5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.530 -3.574 -5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.591 -2.956 -6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.862 -4.123 -6.625 1.00 0.00 H new ATOM 833 N ARG A 113 0.642 -5.176 -0.382 1.00 0.00 N ATOM 834 CA ARG A 113 0.858 -5.135 1.064 1.00 0.00 C ATOM 835 C ARG A 113 1.625 -6.371 1.556 1.00 0.00 C ATOM 836 O ARG A 113 2.471 -6.308 2.448 1.00 0.00 O ATOM 837 CB ARG A 113 -0.487 -5.071 1.793 1.00 0.00 C ATOM 838 CG ARG A 113 -1.133 -3.685 1.747 1.00 0.00 C ATOM 839 CD ARG A 113 -2.476 -3.759 2.479 1.00 0.00 C ATOM 840 NE ARG A 113 -2.295 -4.078 3.914 1.00 0.00 N ATOM 841 CZ ARG A 113 -3.117 -4.830 4.662 1.00 0.00 C ATOM 842 NH1 ARG A 113 -4.158 -5.454 4.146 1.00 0.00 N ATOM 843 NH2 ARG A 113 -2.925 -4.974 5.959 1.00 0.00 N ATOM 0 H ARG A 113 -0.342 -5.157 -0.650 1.00 0.00 H new ATOM 0 HA ARG A 113 1.450 -4.246 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.168 -5.797 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.343 -5.363 2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.484 -2.947 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.280 -3.368 0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.999 -2.808 2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -3.104 -4.518 2.013 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.471 -3.691 4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.359 -5.373 3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.762 -6.018 4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.139 -4.509 6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.563 -5.551 6.508 1.00 0.00 H new ATOM 857 N THR A 114 1.270 -7.546 1.042 1.00 0.00 N ATOM 858 CA THR A 114 2.000 -8.789 1.307 1.00 0.00 C ATOM 859 C THR A 114 3.463 -8.740 0.853 1.00 0.00 C ATOM 860 O THR A 114 4.341 -9.051 1.662 1.00 0.00 O ATOM 861 CB THR A 114 1.177 -10.009 0.880 1.00 0.00 C ATOM 862 OG1 THR A 114 0.010 -9.984 1.693 1.00 0.00 O ATOM 863 CG2 THR A 114 1.912 -11.330 1.102 1.00 0.00 C ATOM 0 H THR A 114 0.465 -7.666 0.427 1.00 0.00 H new ATOM 0 HA THR A 114 2.115 -8.909 2.384 1.00 0.00 H new ATOM 0 HB THR A 114 0.965 -9.954 -0.188 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.654 -9.383 1.294 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.279 -12.157 0.781 1.00 0.00 H new ATOM 0 HG22 THR A 114 2.836 -11.334 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.147 -11.442 2.161 1.00 0.00 H new ATOM 871 N TYR A 115 3.735 -8.220 -0.346 1.00 0.00 N ATOM 872 CA TYR A 115 5.083 -7.750 -0.669 1.00 0.00 C ATOM 873 C TYR A 115 5.643 -6.838 0.435 1.00 0.00 C ATOM 874 O TYR A 115 6.628 -7.203 1.063 1.00 0.00 O ATOM 875 CB TYR A 115 5.127 -7.099 -2.063 1.00 0.00 C ATOM 876 CG TYR A 115 6.325 -6.193 -2.294 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.613 -6.749 -2.379 1.00 0.00 C ATOM 878 CD2 TYR A 115 6.168 -4.792 -2.317 1.00 0.00 C ATOM 879 CE1 TYR A 115 8.737 -5.910 -2.474 1.00 0.00 C ATOM 880 CE2 TYR A 115 7.296 -3.958 -2.420 1.00 0.00 C ATOM 881 CZ TYR A 115 8.579 -4.517 -2.493 1.00 0.00 C ATOM 882 OH TYR A 115 9.675 -3.715 -2.515 1.00 0.00 O ATOM 0 H TYR A 115 3.053 -8.115 -1.097 1.00 0.00 H new ATOM 0 HA TYR A 115 5.742 -8.617 -0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.130 -7.885 -2.818 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.215 -6.520 -2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.739 -7.822 -2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.181 -4.359 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.726 -6.340 -2.533 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.173 -2.885 -2.443 1.00 0.00 H new ATOM 0 HH TYR A 115 10.457 -4.222 -2.213 1.00 0.00 H new ATOM 892 N TRP A 116 5.016 -5.703 0.749 1.00 0.00 N ATOM 893 CA TRP A 116 5.543 -4.764 1.740 1.00 0.00 C ATOM 894 C TRP A 116 5.920 -5.376 3.097 1.00 0.00 C ATOM 895 O TRP A 116 6.978 -5.052 3.639 1.00 0.00 O ATOM 896 CB TRP A 116 4.622 -3.554 1.910 1.00 0.00 C ATOM 897 CG TRP A 116 4.717 -2.561 0.798 1.00 0.00 C ATOM 898 CD1 TRP A 116 3.699 -2.162 0.007 1.00 0.00 C ATOM 899 CD2 TRP A 116 5.894 -1.837 0.332 1.00 0.00 C ATOM 900 NE1 TRP A 116 4.163 -1.265 -0.931 1.00 0.00 N ATOM 901 CE2 TRP A 116 5.509 -1.020 -0.771 1.00 0.00 C ATOM 902 CE3 TRP A 116 7.250 -1.787 0.727 1.00 0.00 C ATOM 903 CZ2 TRP A 116 6.416 -0.190 -1.438 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.168 -0.962 0.055 1.00 0.00 C ATOM 905 CH2 TRP A 116 7.736 -0.115 -0.976 1.00 0.00 C ATOM 0 H TRP A 116 4.135 -5.410 0.327 1.00 0.00 H new ATOM 0 HA TRP A 116 6.493 -4.433 1.319 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.592 -3.902 1.987 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.861 -3.057 2.850 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.675 -2.495 0.096 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.583 -0.837 -1.652 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.585 -2.391 1.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 6.103 0.385 -2.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.211 -0.980 0.334 1.00 0.00 H new ATOM 0 HH2 TRP A 116 8.422 0.595 -1.414 1.00 0.00 H new ATOM 916 N LYS A 117 5.108 -6.265 3.682 1.00 0.00 N ATOM 917 CA LYS A 117 5.580 -6.952 4.890 1.00 0.00 C ATOM 918 C LYS A 117 6.869 -7.762 4.646 1.00 0.00 C ATOM 919 O LYS A 117 7.813 -7.626 5.423 1.00 0.00 O ATOM 920 CB LYS A 117 4.492 -7.741 5.652 1.00 0.00 C ATOM 921 CG LYS A 117 3.576 -8.635 4.813 1.00 0.00 C ATOM 922 CD LYS A 117 2.569 -9.346 5.738 1.00 0.00 C ATOM 923 CE LYS A 117 1.492 -10.137 4.974 1.00 0.00 C ATOM 924 NZ LYS A 117 0.497 -9.263 4.308 1.00 0.00 N ATOM 0 H LYS A 117 4.173 -6.516 3.362 1.00 0.00 H new ATOM 0 HA LYS A 117 5.848 -6.151 5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.984 -8.364 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.869 -7.027 6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.046 -8.038 4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.167 -9.370 4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.109 -10.025 6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.083 -8.605 6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.973 -10.767 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.977 -10.802 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.438 -9.411 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.777 -8.268 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.453 -9.496 3.295 1.00 0.00 H new ATOM 938 N LEU A 118 6.960 -8.545 3.565 1.00 0.00 N ATOM 939 CA LEU A 118 8.212 -9.248 3.251 1.00 0.00 C ATOM 940 C LEU A 118 9.376 -8.276 2.977 1.00 0.00 C ATOM 941 O LEU A 118 10.494 -8.458 3.460 1.00 0.00 O ATOM 942 CB LEU A 118 7.996 -10.217 2.082 1.00 0.00 C ATOM 943 CG LEU A 118 6.997 -11.343 2.405 1.00 0.00 C ATOM 944 CD1 LEU A 118 6.711 -12.130 1.121 1.00 0.00 C ATOM 945 CD2 LEU A 118 7.521 -12.305 3.479 1.00 0.00 C ATOM 0 H LEU A 118 6.200 -8.707 2.904 1.00 0.00 H new ATOM 0 HA LEU A 118 8.499 -9.825 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.637 -9.659 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.953 -10.658 1.802 1.00 0.00 H new ATOM 0 HG LEU A 118 6.090 -10.882 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 118 6.004 -12.932 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.286 -11.462 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.639 -12.557 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.777 -13.079 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.446 -12.767 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.713 -11.753 4.399 1.00 0.00 H new ATOM 957 N GLU A 119 9.127 -7.189 2.252 1.00 0.00 N ATOM 958 CA GLU A 119 10.092 -6.127 2.010 1.00 0.00 C ATOM 959 C GLU A 119 10.667 -5.585 3.329 1.00 0.00 C ATOM 960 O GLU A 119 11.877 -5.527 3.551 1.00 0.00 O ATOM 961 CB GLU A 119 9.426 -5.039 1.162 1.00 0.00 C ATOM 962 CG GLU A 119 10.419 -3.953 0.723 1.00 0.00 C ATOM 963 CD GLU A 119 11.639 -4.487 0.006 1.00 0.00 C ATOM 964 OE1 GLU A 119 11.496 -5.130 -1.057 1.00 0.00 O ATOM 965 OE2 GLU A 119 12.750 -4.336 0.547 1.00 0.00 O ATOM 0 H GLU A 119 8.225 -7.021 1.806 1.00 0.00 H new ATOM 0 HA GLU A 119 10.945 -6.519 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.975 -5.494 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.618 -4.580 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.905 -3.249 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.742 -3.394 1.601 1.00 0.00 H new ATOM 972 N ASN A 120 9.784 -5.293 4.283 1.00 0.00 N ATOM 973 CA ASN A 120 10.149 -4.846 5.621 1.00 0.00 C ATOM 974 C ASN A 120 10.662 -5.968 6.547 1.00 0.00 C ATOM 975 O ASN A 120 11.022 -5.712 7.702 1.00 0.00 O ATOM 976 CB ASN A 120 8.980 -4.069 6.219 1.00 0.00 C ATOM 977 CG ASN A 120 8.849 -2.716 5.541 1.00 0.00 C ATOM 978 OD1 ASN A 120 9.573 -1.793 5.871 1.00 0.00 O ATOM 979 ND2 ASN A 120 7.972 -2.584 4.571 1.00 0.00 N ATOM 0 H ASN A 120 8.776 -5.363 4.142 1.00 0.00 H new ATOM 0 HA ASN A 120 11.011 -4.185 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.057 -4.636 6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.133 -3.934 7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.887 -1.695 4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.376 -3.370 4.312 1.00 0.00 H new ATOM 986 N GLN A 121 10.728 -7.202 6.048 1.00 0.00 N ATOM 987 CA GLN A 121 11.337 -8.367 6.698 1.00 0.00 C ATOM 988 C GLN A 121 12.809 -8.556 6.283 1.00 0.00 C ATOM 989 O GLN A 121 13.625 -9.008 7.080 1.00 0.00 O ATOM 990 CB GLN A 121 10.476 -9.591 6.360 1.00 0.00 C ATOM 991 CG GLN A 121 10.662 -10.803 7.279 1.00 0.00 C ATOM 992 CD GLN A 121 9.563 -11.819 6.992 1.00 0.00 C ATOM 993 OE1 GLN A 121 8.510 -11.790 7.609 1.00 0.00 O ATOM 994 NE2 GLN A 121 9.753 -12.687 6.013 1.00 0.00 N ATOM 0 H GLN A 121 10.339 -7.430 5.133 1.00 0.00 H new ATOM 0 HA GLN A 121 11.362 -8.221 7.778 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.427 -9.294 6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.695 -9.896 5.337 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.642 -11.252 7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.624 -10.493 8.323 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.638 -12.699 5.507 1.00 0.00 H new ATOM 0 HE22 GLN A 121 9.014 -13.345 5.764 1.00 0.00 H new ATOM 1003 N LYS A 122 13.170 -8.191 5.048 1.00 0.00 N ATOM 1004 CA LYS A 122 14.522 -8.363 4.511 1.00 0.00 C ATOM 1005 C LYS A 122 15.633 -7.760 5.406 1.00 0.00 C ATOM 1006 O LYS A 122 15.499 -6.643 5.922 1.00 0.00 O ATOM 1007 CB LYS A 122 14.569 -7.770 3.094 1.00 0.00 C ATOM 1008 CG LYS A 122 13.718 -8.557 2.079 1.00 0.00 C ATOM 1009 CD LYS A 122 13.243 -7.648 0.935 1.00 0.00 C ATOM 1010 CE LYS A 122 14.285 -7.373 -0.151 1.00 0.00 C ATOM 1011 NZ LYS A 122 13.933 -6.148 -0.907 1.00 0.00 N ATOM 0 H LYS A 122 12.523 -7.763 4.386 1.00 0.00 H new ATOM 0 HA LYS A 122 14.732 -9.432 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 122 14.221 -6.738 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.603 -7.747 2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 122 14.302 -9.383 1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.856 -8.993 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 122 12.368 -8.102 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 122 12.922 -6.696 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 122 15.270 -7.258 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 122 14.344 -8.223 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 14.667 -5.956 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 13.018 -6.284 -1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 13.866 -5.343 -0.252 1.00 0.00 H new ATOM 1025 N LYS A 123 16.726 -8.516 5.556 1.00 0.00 N ATOM 1026 CA LYS A 123 17.935 -8.232 6.343 1.00 0.00 C ATOM 1027 C LYS A 123 18.677 -6.938 5.971 1.00 0.00 C ATOM 1028 O LYS A 123 18.957 -6.723 4.794 1.00 0.00 O ATOM 1029 CB LYS A 123 18.899 -9.424 6.167 1.00 0.00 C ATOM 1030 CG LYS A 123 19.323 -9.687 4.703 1.00 0.00 C ATOM 1031 CD LYS A 123 20.767 -9.234 4.417 1.00 0.00 C ATOM 1032 CE LYS A 123 21.088 -9.205 2.911 1.00 0.00 C ATOM 1033 NZ LYS A 123 20.455 -8.057 2.224 1.00 0.00 N ATOM 0 H LYS A 123 16.795 -9.421 5.090 1.00 0.00 H new ATOM 0 HA LYS A 123 17.606 -8.089 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 123 19.792 -9.246 6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 123 18.424 -10.322 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 123 19.230 -10.751 4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 123 18.642 -9.164 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 123 20.923 -8.241 4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 123 21.462 -9.906 4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 123 22.168 -9.158 2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 123 20.748 -10.133 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 21.069 -7.735 1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 19.534 -8.348 1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 20.317 -7.280 2.901 1.00 0.00 H new ATOM 1047 N LEU A 124 19.087 -6.137 6.966 1.00 0.00 N ATOM 1048 CA LEU A 124 20.183 -5.160 6.842 1.00 0.00 C ATOM 1049 C LEU A 124 21.343 -5.569 7.765 1.00 0.00 C ATOM 1050 O LEU A 124 21.194 -5.544 8.987 1.00 0.00 O ATOM 1051 CB LEU A 124 19.714 -3.727 7.150 1.00 0.00 C ATOM 1052 CG LEU A 124 20.454 -2.651 6.324 1.00 0.00 C ATOM 1053 CD1 LEU A 124 20.262 -1.277 6.962 1.00 0.00 C ATOM 1054 CD2 LEU A 124 21.965 -2.844 6.199 1.00 0.00 C ATOM 0 H LEU A 124 18.662 -6.149 7.893 1.00 0.00 H new ATOM 0 HA LEU A 124 20.527 -5.163 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.644 -3.653 6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 124 19.860 -3.525 8.211 1.00 0.00 H new ATOM 0 HG LEU A 124 20.016 -2.739 5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 124 20.787 -0.526 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 124 19.199 -1.036 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 124 20.662 -1.288 7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 124 22.387 -2.036 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 124 22.416 -2.835 7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 124 22.171 -3.799 5.716 1.00 0.00 H new ATOM 1066 N TYR A 125 22.481 -5.976 7.202 1.00 0.00 N ATOM 1067 CA TYR A 125 23.639 -6.436 7.977 1.00 0.00 C ATOM 1068 C TYR A 125 24.212 -5.373 8.935 1.00 0.00 C ATOM 1069 O TYR A 125 24.445 -5.665 10.099 1.00 0.00 O ATOM 1070 CB TYR A 125 24.697 -7.047 7.040 1.00 0.00 C ATOM 1071 CG TYR A 125 24.893 -6.334 5.714 1.00 0.00 C ATOM 1072 CD1 TYR A 125 25.584 -5.112 5.660 1.00 0.00 C ATOM 1073 CD2 TYR A 125 24.362 -6.885 4.529 1.00 0.00 C ATOM 1074 CE1 TYR A 125 25.615 -4.377 4.465 1.00 0.00 C ATOM 1075 CE2 TYR A 125 24.478 -6.189 3.313 1.00 0.00 C ATOM 1076 CZ TYR A 125 25.074 -4.920 3.291 1.00 0.00 C ATOM 1077 OH TYR A 125 25.174 -4.208 2.140 1.00 0.00 O ATOM 0 H TYR A 125 22.628 -5.997 6.193 1.00 0.00 H new ATOM 0 HA TYR A 125 23.289 -7.223 8.645 1.00 0.00 H new ATOM 0 HB2 TYR A 125 25.652 -7.068 7.565 1.00 0.00 H new ATOM 0 HB3 TYR A 125 24.422 -8.082 6.838 1.00 0.00 H new ATOM 0 HD1 TYR A 125 26.091 -4.739 6.537 1.00 0.00 H new ATOM 0 HD2 TYR A 125 23.865 -7.844 4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 125 26.056 -3.391 4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 125 24.109 -6.630 2.399 1.00 0.00 H new ATOM 0 HH TYR A 125 24.756 -4.708 1.408 1.00 0.00 H new ATOM 1087 N ARG A 126 24.389 -4.140 8.453 1.00 0.00 N ATOM 1088 CA ARG A 126 25.032 -3.023 9.163 1.00 0.00 C ATOM 1089 C ARG A 126 26.526 -3.240 9.427 1.00 0.00 C ATOM 1090 O ARG A 126 26.940 -3.677 10.493 1.00 0.00 O ATOM 1091 CB ARG A 126 24.293 -2.628 10.444 1.00 0.00 C ATOM 1092 CG ARG A 126 23.045 -1.823 10.094 1.00 0.00 C ATOM 1093 CD ARG A 126 22.025 -1.959 11.210 1.00 0.00 C ATOM 1094 NE ARG A 126 21.402 -3.297 11.164 1.00 0.00 N ATOM 1095 CZ ARG A 126 20.125 -3.580 11.428 1.00 0.00 C ATOM 1096 NH1 ARG A 126 19.352 -2.749 12.093 1.00 0.00 N ATOM 1097 NH2 ARG A 126 19.581 -4.687 10.979 1.00 0.00 N ATOM 0 H ARG A 126 24.076 -3.878 7.518 1.00 0.00 H new ATOM 0 HA ARG A 126 24.960 -2.182 8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 126 24.016 -3.521 11.005 1.00 0.00 H new ATOM 0 HB3 ARG A 126 24.948 -2.039 11.086 1.00 0.00 H new ATOM 0 HG2 ARG A 126 23.304 -0.774 9.950 1.00 0.00 H new ATOM 0 HG3 ARG A 126 22.622 -2.179 9.155 1.00 0.00 H new ATOM 0 HD2 ARG A 126 22.507 -1.806 12.175 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.260 -1.189 11.111 1.00 0.00 H new ATOM 0 HE ARG A 126 22.005 -4.079 10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 126 19.725 -1.859 12.423 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.380 -2.995 12.279 1.00 0.00 H new ATOM 0 HH21 ARG A 126 20.135 -5.339 10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.604 -4.895 11.186 1.00 0.00 H new ATOM 1284 N LEU B 68 15.993 13.811 3.680 1.00 0.00 N ATOM 1285 CA LEU B 68 17.169 13.081 3.185 1.00 0.00 C ATOM 1286 C LEU B 68 18.477 13.893 3.194 1.00 0.00 C ATOM 1287 O LEU B 68 19.074 14.196 2.164 1.00 0.00 O ATOM 1288 CB LEU B 68 16.845 12.403 1.846 1.00 0.00 C ATOM 1289 CG LEU B 68 15.802 11.273 1.980 1.00 0.00 C ATOM 1290 CD1 LEU B 68 15.542 10.687 0.588 1.00 0.00 C ATOM 1291 CD2 LEU B 68 16.257 10.146 2.916 1.00 0.00 C ATOM 0 HA LEU B 68 17.388 12.291 3.903 1.00 0.00 H new ATOM 0 HB2 LEU B 68 16.474 13.152 1.146 1.00 0.00 H new ATOM 0 HB3 LEU B 68 17.762 11.995 1.420 1.00 0.00 H new ATOM 0 HG LEU B 68 14.900 11.706 2.413 1.00 0.00 H new ATOM 0 HD11 LEU B 68 14.807 9.886 0.662 1.00 0.00 H new ATOM 0 HD12 LEU B 68 15.162 11.468 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU B 68 16.472 10.290 0.181 1.00 0.00 H new ATOM 0 HD21 LEU B 68 15.482 9.382 2.969 1.00 0.00 H new ATOM 0 HD22 LEU B 68 17.177 9.704 2.533 1.00 0.00 H new ATOM 0 HD23 LEU B 68 16.436 10.551 3.912 1.00 0.00 H new ATOM 1303 N SER B 69 18.934 14.192 4.408 1.00 0.00 N ATOM 1304 CA SER B 69 20.253 14.729 4.719 1.00 0.00 C ATOM 1305 C SER B 69 21.244 13.598 5.061 1.00 0.00 C ATOM 1306 O SER B 69 20.911 12.418 4.975 1.00 0.00 O ATOM 1307 CB SER B 69 20.094 15.744 5.856 1.00 0.00 C ATOM 1308 OG SER B 69 19.911 15.099 7.103 1.00 0.00 O ATOM 0 H SER B 69 18.363 14.059 5.243 1.00 0.00 H new ATOM 0 HA SER B 69 20.676 15.237 3.852 1.00 0.00 H new ATOM 0 HB2 SER B 69 20.976 16.383 5.901 1.00 0.00 H new ATOM 0 HB3 SER B 69 19.241 16.391 5.651 1.00 0.00 H new ATOM 0 HG SER B 69 19.814 15.772 7.808 1.00 0.00 H new ATOM 1314 N ALA B 70 22.480 13.961 5.425 1.00 0.00 N ATOM 1315 CA ALA B 70 23.613 13.044 5.593 1.00 0.00 C ATOM 1316 C ALA B 70 23.276 11.686 6.239 1.00 0.00 C ATOM 1317 O ALA B 70 23.399 10.648 5.593 1.00 0.00 O ATOM 1318 CB ALA B 70 24.723 13.768 6.361 1.00 0.00 C ATOM 0 H ALA B 70 22.726 14.932 5.617 1.00 0.00 H new ATOM 0 HA ALA B 70 23.944 12.775 4.590 1.00 0.00 H new ATOM 0 HB1 ALA B 70 25.572 13.097 6.493 1.00 0.00 H new ATOM 0 HB2 ALA B 70 25.039 14.647 5.800 1.00 0.00 H new ATOM 0 HB3 ALA B 70 24.349 14.076 7.337 1.00 0.00 H new ATOM 1324 N CYS B 71 22.872 11.678 7.511 1.00 0.00 N ATOM 1325 CA CYS B 71 22.607 10.436 8.232 1.00 0.00 C ATOM 1326 C CYS B 71 21.517 9.573 7.576 1.00 0.00 C ATOM 1327 O CYS B 71 21.763 8.401 7.296 1.00 0.00 O ATOM 1328 CB CYS B 71 22.378 10.675 9.733 1.00 0.00 C ATOM 1329 SG CYS B 71 21.307 12.077 10.121 1.00 0.00 S ATOM 0 H CYS B 71 22.721 12.522 8.063 1.00 0.00 H new ATOM 0 HA CYS B 71 23.516 9.839 8.157 1.00 0.00 H new ATOM 0 HB2 CYS B 71 21.946 9.774 10.168 1.00 0.00 H new ATOM 0 HB3 CYS B 71 23.344 10.830 10.214 1.00 0.00 H new ATOM 0 HG CYS B 71 20.224 12.007 9.406 1.00 0.00 H new ATOM 1335 N GLU B 72 20.334 10.118 7.271 1.00 0.00 N ATOM 1336 CA GLU B 72 19.327 9.344 6.539 1.00 0.00 C ATOM 1337 C GLU B 72 19.900 8.763 5.234 1.00 0.00 C ATOM 1338 O GLU B 72 19.806 7.569 4.984 1.00 0.00 O ATOM 1339 CB GLU B 72 18.060 10.156 6.228 1.00 0.00 C ATOM 1340 CG GLU B 72 17.519 11.017 7.374 1.00 0.00 C ATOM 1341 CD GLU B 72 18.200 12.362 7.436 1.00 0.00 C ATOM 1342 OE1 GLU B 72 17.807 13.277 6.690 1.00 0.00 O ATOM 1343 OE2 GLU B 72 19.132 12.523 8.243 1.00 0.00 O ATOM 0 H GLU B 72 20.055 11.069 7.513 1.00 0.00 H new ATOM 0 HA GLU B 72 19.044 8.527 7.202 1.00 0.00 H new ATOM 0 HB2 GLU B 72 18.268 10.806 5.378 1.00 0.00 H new ATOM 0 HB3 GLU B 72 17.276 9.465 5.917 1.00 0.00 H new ATOM 0 HG2 GLU B 72 16.446 11.159 7.246 1.00 0.00 H new ATOM 0 HG3 GLU B 72 17.661 10.494 8.320 1.00 0.00 H new ATOM 1350 N VAL B 73 20.520 9.605 4.406 1.00 0.00 N ATOM 1351 CA VAL B 73 21.059 9.211 3.103 1.00 0.00 C ATOM 1352 C VAL B 73 22.095 8.085 3.229 1.00 0.00 C ATOM 1353 O VAL B 73 22.103 7.146 2.437 1.00 0.00 O ATOM 1354 CB VAL B 73 21.620 10.450 2.385 1.00 0.00 C ATOM 1355 CG1 VAL B 73 22.372 10.084 1.104 1.00 0.00 C ATOM 1356 CG2 VAL B 73 20.470 11.375 1.980 1.00 0.00 C ATOM 0 H VAL B 73 20.664 10.591 4.624 1.00 0.00 H new ATOM 0 HA VAL B 73 20.252 8.801 2.496 1.00 0.00 H new ATOM 0 HB VAL B 73 22.305 10.933 3.082 1.00 0.00 H new ATOM 0 HG11 VAL B 73 22.750 10.991 0.632 1.00 0.00 H new ATOM 0 HG12 VAL B 73 23.207 9.427 1.347 1.00 0.00 H new ATOM 0 HG13 VAL B 73 21.696 9.573 0.419 1.00 0.00 H new ATOM 0 HG21 VAL B 73 20.870 12.252 1.472 1.00 0.00 H new ATOM 0 HG22 VAL B 73 19.795 10.844 1.310 1.00 0.00 H new ATOM 0 HG23 VAL B 73 19.925 11.689 2.870 1.00 0.00 H new ATOM 1366 N ALA B 74 22.946 8.149 4.251 1.00 0.00 N ATOM 1367 CA ALA B 74 23.927 7.099 4.513 1.00 0.00 C ATOM 1368 C ALA B 74 23.248 5.746 4.782 1.00 0.00 C ATOM 1369 O ALA B 74 23.654 4.704 4.276 1.00 0.00 O ATOM 1370 CB ALA B 74 24.813 7.524 5.687 1.00 0.00 C ATOM 0 H ALA B 74 22.975 8.923 4.915 1.00 0.00 H new ATOM 0 HA ALA B 74 24.548 6.964 3.627 1.00 0.00 H new ATOM 0 HB1 ALA B 74 25.548 6.745 5.889 1.00 0.00 H new ATOM 0 HB2 ALA B 74 25.327 8.452 5.437 1.00 0.00 H new ATOM 0 HB3 ALA B 74 24.195 7.678 6.572 1.00 0.00 H new ATOM 1376 N VAL B 75 22.196 5.747 5.600 1.00 0.00 N ATOM 1377 CA VAL B 75 21.531 4.492 5.945 1.00 0.00 C ATOM 1378 C VAL B 75 20.574 4.005 4.831 1.00 0.00 C ATOM 1379 O VAL B 75 20.483 2.805 4.595 1.00 0.00 O ATOM 1380 CB VAL B 75 20.948 4.564 7.362 1.00 0.00 C ATOM 1381 CG1 VAL B 75 20.570 3.162 7.866 1.00 0.00 C ATOM 1382 CG2 VAL B 75 22.010 5.086 8.344 1.00 0.00 C ATOM 0 H VAL B 75 21.794 6.581 6.027 1.00 0.00 H new ATOM 0 HA VAL B 75 22.268 3.691 5.989 1.00 0.00 H new ATOM 0 HB VAL B 75 20.077 5.218 7.317 1.00 0.00 H new ATOM 0 HG11 VAL B 75 20.159 3.236 8.873 1.00 0.00 H new ATOM 0 HG12 VAL B 75 19.825 2.725 7.201 1.00 0.00 H new ATOM 0 HG13 VAL B 75 21.458 2.530 7.882 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.586 5.133 9.347 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.868 4.413 8.344 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.330 6.082 8.038 1.00 0.00 H new ATOM 1392 N LEU B 76 19.914 4.901 4.084 1.00 0.00 N ATOM 1393 CA LEU B 76 19.290 4.621 2.775 1.00 0.00 C ATOM 1394 C LEU B 76 20.169 3.749 1.862 1.00 0.00 C ATOM 1395 O LEU B 76 19.691 2.818 1.218 1.00 0.00 O ATOM 1396 CB LEU B 76 18.938 5.946 2.101 1.00 0.00 C ATOM 1397 CG LEU B 76 17.517 6.457 2.398 1.00 0.00 C ATOM 1398 CD1 LEU B 76 16.523 5.910 1.366 1.00 0.00 C ATOM 1399 CD2 LEU B 76 16.967 6.183 3.806 1.00 0.00 C ATOM 0 H LEU B 76 19.794 5.870 4.379 1.00 0.00 H new ATOM 0 HA LEU B 76 18.385 4.040 2.951 1.00 0.00 H new ATOM 0 HB2 LEU B 76 19.656 6.702 2.419 1.00 0.00 H new ATOM 0 HB3 LEU B 76 19.051 5.832 1.023 1.00 0.00 H new ATOM 0 HG LEU B 76 17.620 7.540 2.335 1.00 0.00 H new ATOM 0 HD11 LEU B 76 15.523 6.281 1.591 1.00 0.00 H new ATOM 0 HD12 LEU B 76 16.816 6.239 0.369 1.00 0.00 H new ATOM 0 HD13 LEU B 76 16.522 4.821 1.403 1.00 0.00 H new ATOM 0 HD21 LEU B 76 15.960 6.592 3.889 1.00 0.00 H new ATOM 0 HD22 LEU B 76 16.938 5.108 3.982 1.00 0.00 H new ATOM 0 HD23 LEU B 76 17.612 6.655 4.547 1.00 0.00 H new ATOM 1411 N ASP B 77 21.467 4.028 1.833 1.00 0.00 N ATOM 1412 CA ASP B 77 22.411 3.232 1.058 1.00 0.00 C ATOM 1413 C ASP B 77 22.603 1.850 1.707 1.00 0.00 C ATOM 1414 O ASP B 77 22.395 0.822 1.064 1.00 0.00 O ATOM 1415 CB ASP B 77 23.723 4.013 0.924 1.00 0.00 C ATOM 1416 CG ASP B 77 24.767 3.182 0.212 1.00 0.00 C ATOM 1417 OD1 ASP B 77 25.384 2.339 0.898 1.00 0.00 O ATOM 1418 OD2 ASP B 77 24.911 3.352 -1.014 1.00 0.00 O ATOM 0 H ASP B 77 21.891 4.804 2.341 1.00 0.00 H new ATOM 0 HA ASP B 77 22.025 3.050 0.055 1.00 0.00 H new ATOM 0 HB2 ASP B 77 23.548 4.937 0.373 1.00 0.00 H new ATOM 0 HB3 ASP B 77 24.087 4.295 1.912 1.00 0.00 H new ATOM 1423 N LEU B 78 22.882 1.798 3.016 1.00 0.00 N ATOM 1424 CA LEU B 78 22.916 0.546 3.755 1.00 0.00 C ATOM 1425 C LEU B 78 21.651 -0.300 3.505 1.00 0.00 C ATOM 1426 O LEU B 78 21.741 -1.522 3.375 1.00 0.00 O ATOM 1427 CB LEU B 78 23.163 0.837 5.246 1.00 0.00 C ATOM 1428 CG LEU B 78 24.522 1.481 5.558 1.00 0.00 C ATOM 1429 CD1 LEU B 78 24.613 1.760 7.062 1.00 0.00 C ATOM 1430 CD2 LEU B 78 25.703 0.591 5.152 1.00 0.00 C ATOM 0 H LEU B 78 23.088 2.621 3.582 1.00 0.00 H new ATOM 0 HA LEU B 78 23.745 -0.062 3.393 1.00 0.00 H new ATOM 0 HB2 LEU B 78 22.373 1.494 5.610 1.00 0.00 H new ATOM 0 HB3 LEU B 78 23.082 -0.097 5.803 1.00 0.00 H new ATOM 0 HG LEU B 78 24.584 2.402 4.979 1.00 0.00 H new ATOM 0 HD11 LEU B 78 25.576 2.217 7.290 1.00 0.00 H new ATOM 0 HD12 LEU B 78 23.811 2.437 7.356 1.00 0.00 H new ATOM 0 HD13 LEU B 78 24.517 0.824 7.612 1.00 0.00 H new ATOM 0 HD21 LEU B 78 26.639 1.095 5.395 1.00 0.00 H new ATOM 0 HD22 LEU B 78 25.649 -0.354 5.692 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.662 0.399 4.080 1.00 0.00 H new ATOM 1442 N TYR B 79 20.469 0.310 3.387 1.00 0.00 N ATOM 1443 CA TYR B 79 19.281 -0.389 2.922 1.00 0.00 C ATOM 1444 C TYR B 79 19.456 -1.013 1.530 1.00 0.00 C ATOM 1445 O TYR B 79 19.352 -2.233 1.432 1.00 0.00 O ATOM 1446 CB TYR B 79 18.036 0.496 3.032 1.00 0.00 C ATOM 1447 CG TYR B 79 17.585 0.737 4.456 1.00 0.00 C ATOM 1448 CD1 TYR B 79 17.232 -0.342 5.282 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.669 2.022 5.003 1.00 0.00 C ATOM 1450 CE1 TYR B 79 17.111 -0.147 6.669 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.704 2.184 6.389 1.00 0.00 C ATOM 1452 CZ TYR B 79 17.518 1.079 7.215 1.00 0.00 C ATOM 1453 OH TYR B 79 17.687 1.200 8.555 1.00 0.00 O ATOM 0 H TYR B 79 20.315 1.293 3.610 1.00 0.00 H new ATOM 0 HA TYR B 79 19.128 -1.236 3.591 1.00 0.00 H new ATOM 0 HB2 TYR B 79 18.240 1.456 2.558 1.00 0.00 H new ATOM 0 HB3 TYR B 79 17.221 0.032 2.476 1.00 0.00 H new ATOM 0 HD1 TYR B 79 17.054 -1.317 4.854 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.707 2.885 4.355 1.00 0.00 H new ATOM 0 HE1 TYR B 79 16.712 -0.926 7.302 1.00 0.00 H new ATOM 0 HE2 TYR B 79 17.874 3.160 6.818 1.00 0.00 H new ATOM 0 HH TYR B 79 18.561 1.602 8.739 1.00 0.00 H new ATOM 1463 N GLU B 80 19.726 -0.267 0.462 1.00 0.00 N ATOM 1464 CA GLU B 80 19.689 -0.840 -0.889 1.00 0.00 C ATOM 1465 C GLU B 80 20.966 -1.598 -1.292 1.00 0.00 C ATOM 1466 O GLU B 80 20.892 -2.672 -1.889 1.00 0.00 O ATOM 1467 CB GLU B 80 19.241 0.214 -1.901 1.00 0.00 C ATOM 1468 CG GLU B 80 17.759 0.589 -1.681 1.00 0.00 C ATOM 1469 CD GLU B 80 16.719 -0.413 -2.214 1.00 0.00 C ATOM 1470 OE1 GLU B 80 16.928 -1.640 -2.072 1.00 0.00 O ATOM 1471 OE2 GLU B 80 15.699 0.066 -2.755 1.00 0.00 O ATOM 0 H GLU B 80 19.970 0.723 0.499 1.00 0.00 H new ATOM 0 HA GLU B 80 18.935 -1.628 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU B 80 19.864 1.103 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU B 80 19.379 -0.166 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU B 80 17.593 0.719 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU B 80 17.576 1.555 -2.151 1.00 0.00 H new ATOM 1478 N GLN B 81 22.145 -1.148 -0.865 1.00 0.00 N ATOM 1479 CA GLN B 81 23.345 -1.993 -0.905 1.00 0.00 C ATOM 1480 C GLN B 81 23.182 -3.280 -0.073 1.00 0.00 C ATOM 1481 O GLN B 81 23.838 -4.293 -0.319 1.00 0.00 O ATOM 1482 CB GLN B 81 24.599 -1.206 -0.505 1.00 0.00 C ATOM 1483 CG GLN B 81 24.941 -0.121 -1.540 1.00 0.00 C ATOM 1484 CD GLN B 81 26.444 0.107 -1.645 1.00 0.00 C ATOM 1485 OE1 GLN B 81 27.112 -0.499 -2.475 1.00 0.00 O ATOM 1486 NE2 GLN B 81 27.020 0.933 -0.799 1.00 0.00 N ATOM 0 H GLN B 81 22.298 -0.212 -0.490 1.00 0.00 H new ATOM 0 HA GLN B 81 23.477 -2.310 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN B 81 24.443 -0.744 0.470 1.00 0.00 H new ATOM 0 HB3 GLN B 81 25.441 -1.890 -0.402 1.00 0.00 H new ATOM 0 HG2 GLN B 81 24.548 -0.412 -2.514 1.00 0.00 H new ATOM 0 HG3 GLN B 81 24.450 0.812 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN B 81 26.457 1.433 -0.111 1.00 0.00 H new ATOM 0 HE22 GLN B 81 28.030 1.073 -0.831 1.00 0.00 H new ATOM 1495 N SER B 82 22.261 -3.303 0.899 1.00 0.00 N ATOM 1496 CA SER B 82 21.771 -4.570 1.434 1.00 0.00 C ATOM 1497 C SER B 82 20.785 -5.271 0.483 1.00 0.00 C ATOM 1498 O SER B 82 20.944 -6.468 0.234 1.00 0.00 O ATOM 1499 CB SER B 82 21.208 -4.397 2.838 1.00 0.00 C ATOM 1500 OG SER B 82 20.938 -5.668 3.404 1.00 0.00 O ATOM 0 H SER B 82 21.849 -2.471 1.322 1.00 0.00 H new ATOM 0 HA SER B 82 22.629 -5.238 1.513 1.00 0.00 H new ATOM 0 HB2 SER B 82 21.919 -3.854 3.461 1.00 0.00 H new ATOM 0 HB3 SER B 82 20.295 -3.802 2.804 1.00 0.00 H new ATOM 0 HG SER B 82 20.047 -5.662 3.813 1.00 0.00 H new ATOM 1506 N ASN B 83 19.760 -4.542 0.027 1.00 0.00 N ATOM 1507 CA ASN B 83 18.684 -4.843 -0.933 1.00 0.00 C ATOM 1508 C ASN B 83 17.265 -4.522 -0.413 1.00 0.00 C ATOM 1509 O ASN B 83 16.332 -5.253 -0.745 1.00 0.00 O ATOM 1510 CB ASN B 83 18.768 -6.259 -1.541 1.00 0.00 C ATOM 1511 CG ASN B 83 18.303 -7.405 -0.636 1.00 0.00 C ATOM 1512 OD1 ASN B 83 18.349 -7.379 0.594 1.00 0.00 O ATOM 1513 ND2 ASN B 83 17.844 -8.491 -1.238 1.00 0.00 N ATOM 0 H ASN B 83 19.649 -3.589 0.372 1.00 0.00 H new ATOM 0 HA ASN B 83 18.868 -4.147 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN B 83 18.172 -6.278 -2.453 1.00 0.00 H new ATOM 0 HB3 ASN B 83 19.801 -6.448 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN B 83 17.535 -9.290 -0.684 1.00 0.00 H new ATOM 0 HD22 ASN B 83 17.799 -8.529 -2.256 1.00 0.00 H new ATOM 1520 N ILE B 84 17.092 -3.507 0.435 1.00 0.00 N ATOM 1521 CA ILE B 84 15.827 -3.121 1.084 1.00 0.00 C ATOM 1522 C ILE B 84 15.206 -1.835 0.507 1.00 0.00 C ATOM 1523 O ILE B 84 15.713 -0.745 0.755 1.00 0.00 O ATOM 1524 CB ILE B 84 16.061 -2.936 2.596 1.00 0.00 C ATOM 1525 CG1 ILE B 84 16.413 -4.277 3.255 1.00 0.00 C ATOM 1526 CG2 ILE B 84 14.827 -2.324 3.292 1.00 0.00 C ATOM 1527 CD1 ILE B 84 17.094 -4.060 4.605 1.00 0.00 C ATOM 0 H ILE B 84 17.865 -2.899 0.705 1.00 0.00 H new ATOM 0 HA ILE B 84 15.120 -3.928 0.891 1.00 0.00 H new ATOM 0 HB ILE B 84 16.896 -2.245 2.713 1.00 0.00 H new ATOM 0 HG12 ILE B 84 15.508 -4.868 3.391 1.00 0.00 H new ATOM 0 HG13 ILE B 84 17.071 -4.847 2.599 1.00 0.00 H new ATOM 0 HG21 ILE B 84 15.030 -2.209 4.357 1.00 0.00 H new ATOM 0 HG22 ILE B 84 14.610 -1.349 2.856 1.00 0.00 H new ATOM 0 HG23 ILE B 84 13.969 -2.982 3.155 1.00 0.00 H new ATOM 0 HD11 ILE B 84 17.333 -5.025 5.051 1.00 0.00 H new ATOM 0 HD12 ILE B 84 18.011 -3.489 4.462 1.00 0.00 H new ATOM 0 HD13 ILE B 84 16.424 -3.511 5.266 1.00 0.00 H new ATOM 1539 N ARG B 85 14.007 -1.931 -0.070 1.00 0.00 N ATOM 1540 CA ARG B 85 13.223 -0.748 -0.418 1.00 0.00 C ATOM 1541 C ARG B 85 12.510 -0.176 0.820 1.00 0.00 C ATOM 1542 O ARG B 85 11.654 -0.818 1.428 1.00 0.00 O ATOM 1543 CB ARG B 85 12.242 -1.075 -1.553 1.00 0.00 C ATOM 1544 CG ARG B 85 11.470 0.177 -2.001 1.00 0.00 C ATOM 1545 CD ARG B 85 10.559 -0.149 -3.189 1.00 0.00 C ATOM 1546 NE ARG B 85 9.646 0.981 -3.485 1.00 0.00 N ATOM 1547 CZ ARG B 85 8.587 0.947 -4.299 1.00 0.00 C ATOM 1548 NH1 ARG B 85 8.351 -0.114 -5.051 1.00 0.00 N ATOM 1549 NH2 ARG B 85 7.754 1.967 -4.367 1.00 0.00 N ATOM 0 H ARG B 85 13.559 -2.816 -0.306 1.00 0.00 H new ATOM 0 HA ARG B 85 13.898 0.028 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG B 85 12.788 -1.491 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG B 85 11.539 -1.839 -1.220 1.00 0.00 H new ATOM 0 HG2 ARG B 85 10.874 0.559 -1.172 1.00 0.00 H new ATOM 0 HG3 ARG B 85 12.171 0.964 -2.279 1.00 0.00 H new ATOM 0 HD2 ARG B 85 11.166 -0.370 -4.067 1.00 0.00 H new ATOM 0 HD3 ARG B 85 9.977 -1.044 -2.970 1.00 0.00 H new ATOM 0 HE ARG B 85 9.845 1.869 -3.023 1.00 0.00 H new ATOM 0 HH11 ARG B 85 8.980 -0.916 -5.013 1.00 0.00 H new ATOM 0 HH12 ARG B 85 7.540 -0.131 -5.669 1.00 0.00 H new ATOM 0 HH21 ARG B 85 7.914 2.795 -3.794 1.00 0.00 H new ATOM 0 HH22 ARG B 85 6.950 1.928 -4.993 1.00 0.00 H new ATOM 1563 N ILE B 86 12.839 1.060 1.188 1.00 0.00 N ATOM 1564 CA ILE B 86 12.156 1.858 2.210 1.00 0.00 C ATOM 1565 C ILE B 86 10.973 2.624 1.580 1.00 0.00 C ATOM 1566 O ILE B 86 11.211 3.520 0.773 1.00 0.00 O ATOM 1567 CB ILE B 86 13.207 2.784 2.852 1.00 0.00 C ATOM 1568 CG1 ILE B 86 14.335 2.005 3.562 1.00 0.00 C ATOM 1569 CG2 ILE B 86 12.552 3.739 3.844 1.00 0.00 C ATOM 1570 CD1 ILE B 86 13.877 1.142 4.748 1.00 0.00 C ATOM 0 H ILE B 86 13.623 1.557 0.765 1.00 0.00 H new ATOM 0 HA ILE B 86 11.723 1.232 2.990 1.00 0.00 H new ATOM 0 HB ILE B 86 13.656 3.349 2.035 1.00 0.00 H new ATOM 0 HG12 ILE B 86 14.828 1.362 2.833 1.00 0.00 H new ATOM 0 HG13 ILE B 86 15.081 2.716 3.916 1.00 0.00 H new ATOM 0 HG21 ILE B 86 13.313 4.383 4.285 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.814 4.351 3.326 1.00 0.00 H new ATOM 0 HG23 ILE B 86 12.061 3.166 4.631 1.00 0.00 H new ATOM 0 HD11 ILE B 86 14.738 0.634 5.182 1.00 0.00 H new ATOM 0 HD12 ILE B 86 13.412 1.777 5.502 1.00 0.00 H new ATOM 0 HD13 ILE B 86 13.155 0.402 4.402 1.00 0.00 H new ATOM 1582 N PRO B 87 9.704 2.283 1.892 1.00 0.00 N ATOM 1583 CA PRO B 87 8.572 3.048 1.383 1.00 0.00 C ATOM 1584 C PRO B 87 8.571 4.472 1.956 1.00 0.00 C ATOM 1585 O PRO B 87 9.037 4.714 3.070 1.00 0.00 O ATOM 1586 CB PRO B 87 7.312 2.258 1.751 1.00 0.00 C ATOM 1587 CG PRO B 87 7.741 1.321 2.883 1.00 0.00 C ATOM 1588 CD PRO B 87 9.257 1.169 2.719 1.00 0.00 C ATOM 0 HA PRO B 87 8.624 3.175 0.302 1.00 0.00 H new ATOM 0 HB2 PRO B 87 6.511 2.923 2.073 1.00 0.00 H new ATOM 0 HB3 PRO B 87 6.936 1.696 0.896 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.489 1.739 3.858 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.237 0.357 2.810 1.00 0.00 H new ATOM 0 HD2 PRO B 87 9.754 1.183 3.689 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.502 0.216 2.249 1.00 0.00 H new ATOM 1596 N SER B 88 8.063 5.427 1.185 1.00 0.00 N ATOM 1597 CA SER B 88 8.189 6.854 1.460 1.00 0.00 C ATOM 1598 C SER B 88 7.581 7.293 2.806 1.00 0.00 C ATOM 1599 O SER B 88 8.145 8.168 3.462 1.00 0.00 O ATOM 1600 CB SER B 88 7.661 7.641 0.262 1.00 0.00 C ATOM 1601 OG SER B 88 6.315 7.315 -0.009 1.00 0.00 O ATOM 0 H SER B 88 7.540 5.226 0.332 1.00 0.00 H new ATOM 0 HA SER B 88 9.247 7.082 1.587 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.747 8.710 0.459 1.00 0.00 H new ATOM 0 HB3 SER B 88 8.273 7.429 -0.615 1.00 0.00 H new ATOM 0 HG SER B 88 6.266 6.409 -0.379 1.00 0.00 H new ATOM 1607 N ASP B 89 6.503 6.657 3.267 1.00 0.00 N ATOM 1608 CA ASP B 89 5.995 6.799 4.633 1.00 0.00 C ATOM 1609 C ASP B 89 7.094 6.675 5.702 1.00 0.00 C ATOM 1610 O ASP B 89 7.186 7.492 6.614 1.00 0.00 O ATOM 1611 CB ASP B 89 4.908 5.744 4.866 1.00 0.00 C ATOM 1612 CG ASP B 89 3.583 6.185 4.291 1.00 0.00 C ATOM 1613 OD1 ASP B 89 3.525 6.288 3.052 1.00 0.00 O ATOM 1614 OD2 ASP B 89 2.657 6.386 5.104 1.00 0.00 O ATOM 0 H ASP B 89 5.950 6.020 2.694 1.00 0.00 H new ATOM 0 HA ASP B 89 5.586 7.804 4.733 1.00 0.00 H new ATOM 0 HB2 ASP B 89 5.209 4.801 4.409 1.00 0.00 H new ATOM 0 HB3 ASP B 89 4.800 5.560 5.935 1.00 0.00 H new ATOM 1619 N ILE B 90 7.961 5.658 5.598 1.00 0.00 N ATOM 1620 CA ILE B 90 9.085 5.536 6.529 1.00 0.00 C ATOM 1621 C ILE B 90 9.907 6.826 6.521 1.00 0.00 C ATOM 1622 O ILE B 90 10.243 7.374 7.564 1.00 0.00 O ATOM 1623 CB ILE B 90 10.013 4.356 6.169 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.240 3.052 5.919 1.00 0.00 C ATOM 1625 CG2 ILE B 90 11.157 4.209 7.187 1.00 0.00 C ATOM 1626 CD1 ILE B 90 9.883 1.760 6.431 1.00 0.00 C ATOM 0 H ILE B 90 7.906 4.923 4.893 1.00 0.00 H new ATOM 0 HA ILE B 90 8.665 5.352 7.518 1.00 0.00 H new ATOM 0 HB ILE B 90 10.483 4.591 5.214 1.00 0.00 H new ATOM 0 HG12 ILE B 90 8.256 3.147 6.378 1.00 0.00 H new ATOM 0 HG13 ILE B 90 9.082 2.951 4.845 1.00 0.00 H new ATOM 0 HG21 ILE B 90 11.791 3.369 6.903 1.00 0.00 H new ATOM 0 HG22 ILE B 90 11.751 5.123 7.202 1.00 0.00 H new ATOM 0 HG23 ILE B 90 10.741 4.031 8.179 1.00 0.00 H new ATOM 0 HD11 ILE B 90 9.239 0.914 6.192 1.00 0.00 H new ATOM 0 HD12 ILE B 90 10.854 1.623 5.955 1.00 0.00 H new ATOM 0 HD13 ILE B 90 10.014 1.822 7.511 1.00 0.00 H new ATOM 1638 N ILE B 91 10.252 7.281 5.319 1.00 0.00 N ATOM 1639 CA ILE B 91 11.125 8.428 5.104 1.00 0.00 C ATOM 1640 C ILE B 91 10.494 9.693 5.699 1.00 0.00 C ATOM 1641 O ILE B 91 11.186 10.478 6.342 1.00 0.00 O ATOM 1642 CB ILE B 91 11.469 8.549 3.602 1.00 0.00 C ATOM 1643 CG1 ILE B 91 11.990 7.189 3.091 1.00 0.00 C ATOM 1644 CG2 ILE B 91 12.502 9.660 3.382 1.00 0.00 C ATOM 1645 CD1 ILE B 91 12.457 7.164 1.634 1.00 0.00 C ATOM 0 H ILE B 91 9.926 6.854 4.452 1.00 0.00 H new ATOM 0 HA ILE B 91 12.071 8.289 5.628 1.00 0.00 H new ATOM 0 HB ILE B 91 10.575 8.815 3.038 1.00 0.00 H new ATOM 0 HG12 ILE B 91 12.820 6.877 3.725 1.00 0.00 H new ATOM 0 HG13 ILE B 91 11.200 6.448 3.213 1.00 0.00 H new ATOM 0 HG21 ILE B 91 12.735 9.735 2.320 1.00 0.00 H new ATOM 0 HG22 ILE B 91 12.096 10.609 3.732 1.00 0.00 H new ATOM 0 HG23 ILE B 91 13.410 9.427 3.938 1.00 0.00 H new ATOM 0 HD11 ILE B 91 12.802 6.162 1.380 1.00 0.00 H new ATOM 0 HD12 ILE B 91 11.628 7.439 0.982 1.00 0.00 H new ATOM 0 HD13 ILE B 91 13.274 7.874 1.501 1.00 0.00 H new ATOM 1657 N GLU B 92 9.179 9.859 5.534 1.00 0.00 N ATOM 1658 CA GLU B 92 8.405 10.906 6.198 1.00 0.00 C ATOM 1659 C GLU B 92 8.533 10.831 7.732 1.00 0.00 C ATOM 1660 O GLU B 92 9.200 11.671 8.344 1.00 0.00 O ATOM 1661 CB GLU B 92 6.938 10.808 5.735 1.00 0.00 C ATOM 1662 CG GLU B 92 6.082 12.019 6.162 1.00 0.00 C ATOM 1663 CD GLU B 92 6.688 13.390 5.911 1.00 0.00 C ATOM 1664 OE1 GLU B 92 7.133 13.612 4.762 1.00 0.00 O ATOM 1665 OE2 GLU B 92 6.697 14.189 6.868 1.00 0.00 O ATOM 0 H GLU B 92 8.617 9.262 4.928 1.00 0.00 H new ATOM 0 HA GLU B 92 8.804 11.880 5.915 1.00 0.00 H new ATOM 0 HB2 GLU B 92 6.912 10.718 4.649 1.00 0.00 H new ATOM 0 HB3 GLU B 92 6.496 9.898 6.141 1.00 0.00 H new ATOM 0 HG2 GLU B 92 5.127 11.965 5.639 1.00 0.00 H new ATOM 0 HG3 GLU B 92 5.868 11.929 7.227 1.00 0.00 H new ATOM 1672 N ASP B 93 7.940 9.792 8.337 1.00 0.00 N ATOM 1673 CA ASP B 93 7.834 9.602 9.777 1.00 0.00 C ATOM 1674 C ASP B 93 9.221 9.691 10.452 1.00 0.00 C ATOM 1675 O ASP B 93 9.367 10.178 11.573 1.00 0.00 O ATOM 1676 CB ASP B 93 7.204 8.220 10.043 1.00 0.00 C ATOM 1677 CG ASP B 93 5.722 8.026 9.764 1.00 0.00 C ATOM 1678 OD1 ASP B 93 5.161 8.645 8.839 1.00 0.00 O ATOM 1679 OD2 ASP B 93 5.130 7.184 10.476 1.00 0.00 O ATOM 0 H ASP B 93 7.506 9.035 7.809 1.00 0.00 H new ATOM 0 HA ASP B 93 7.209 10.389 10.199 1.00 0.00 H new ATOM 0 HB2 ASP B 93 7.751 7.488 9.449 1.00 0.00 H new ATOM 0 HB3 ASP B 93 7.378 7.974 11.091 1.00 0.00 H new ATOM 1684 N LEU B 94 10.245 9.193 9.757 1.00 0.00 N ATOM 1685 CA LEU B 94 11.659 9.339 10.115 1.00 0.00 C ATOM 1686 C LEU B 94 12.104 10.812 10.077 1.00 0.00 C ATOM 1687 O LEU B 94 12.507 11.382 11.092 1.00 0.00 O ATOM 1688 CB LEU B 94 12.493 8.483 9.142 1.00 0.00 C ATOM 1689 CG LEU B 94 13.992 8.269 9.426 1.00 0.00 C ATOM 1690 CD1 LEU B 94 14.695 8.019 8.093 1.00 0.00 C ATOM 1691 CD2 LEU B 94 14.740 9.406 10.111 1.00 0.00 C ATOM 0 H LEU B 94 10.109 8.658 8.899 1.00 0.00 H new ATOM 0 HA LEU B 94 11.812 8.996 11.138 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.026 7.500 9.087 1.00 0.00 H new ATOM 0 HB3 LEU B 94 12.407 8.933 8.153 1.00 0.00 H new ATOM 0 HG LEU B 94 14.017 7.435 10.128 1.00 0.00 H new ATOM 0 HD11 LEU B 94 15.760 7.864 8.267 1.00 0.00 H new ATOM 0 HD12 LEU B 94 14.272 7.133 7.619 1.00 0.00 H new ATOM 0 HD13 LEU B 94 14.555 8.881 7.441 1.00 0.00 H new ATOM 0 HD21 LEU B 94 15.783 9.123 10.250 1.00 0.00 H new ATOM 0 HD22 LEU B 94 14.686 10.302 9.492 1.00 0.00 H new ATOM 0 HD23 LEU B 94 14.286 9.608 11.081 1.00 0.00 H new ATOM 1703 N VAL B 95 12.142 11.416 8.889 1.00 0.00 N ATOM 1704 CA VAL B 95 12.925 12.629 8.688 1.00 0.00 C ATOM 1705 C VAL B 95 12.251 13.893 9.230 1.00 0.00 C ATOM 1706 O VAL B 95 12.943 14.819 9.655 1.00 0.00 O ATOM 1707 CB VAL B 95 13.368 12.751 7.224 1.00 0.00 C ATOM 1708 CG1 VAL B 95 12.303 13.402 6.329 1.00 0.00 C ATOM 1709 CG2 VAL B 95 14.673 13.551 7.168 1.00 0.00 C ATOM 0 H VAL B 95 11.645 11.087 8.061 1.00 0.00 H new ATOM 0 HA VAL B 95 13.826 12.534 9.293 1.00 0.00 H new ATOM 0 HB VAL B 95 13.519 11.744 6.835 1.00 0.00 H new ATOM 0 HG11 VAL B 95 12.674 13.461 5.306 1.00 0.00 H new ATOM 0 HG12 VAL B 95 11.393 12.802 6.351 1.00 0.00 H new ATOM 0 HG13 VAL B 95 12.085 14.406 6.694 1.00 0.00 H new ATOM 0 HG21 VAL B 95 14.998 13.645 6.132 1.00 0.00 H new ATOM 0 HG22 VAL B 95 14.510 14.543 7.588 1.00 0.00 H new ATOM 0 HG23 VAL B 95 15.441 13.035 7.744 1.00 0.00 H new ATOM 1719 N ASN B 96 10.915 13.946 9.238 1.00 0.00 N ATOM 1720 CA ASN B 96 10.187 15.117 9.734 1.00 0.00 C ATOM 1721 C ASN B 96 10.559 15.491 11.184 1.00 0.00 C ATOM 1722 O ASN B 96 10.807 16.658 11.482 1.00 0.00 O ATOM 1723 CB ASN B 96 8.680 14.971 9.471 1.00 0.00 C ATOM 1724 CG ASN B 96 8.015 13.757 10.113 1.00 0.00 C ATOM 1725 OD1 ASN B 96 8.412 13.294 11.175 1.00 0.00 O ATOM 1726 ND2 ASN B 96 6.974 13.234 9.492 1.00 0.00 N ATOM 0 H ASN B 96 10.316 13.190 8.906 1.00 0.00 H new ATOM 0 HA ASN B 96 10.511 15.986 9.161 1.00 0.00 H new ATOM 0 HB2 ASN B 96 8.178 15.870 9.829 1.00 0.00 H new ATOM 0 HB3 ASN B 96 8.520 14.924 8.394 1.00 0.00 H new ATOM 0 HD21 ASN B 96 6.488 12.433 9.896 1.00 0.00 H new ATOM 0 HD22 ASN B 96 6.655 13.631 8.608 1.00 0.00 H new ATOM 1733 N GLN B 97 10.683 14.501 12.071 1.00 0.00 N ATOM 1734 CA GLN B 97 11.169 14.682 13.443 1.00 0.00 C ATOM 1735 C GLN B 97 12.690 14.940 13.566 1.00 0.00 C ATOM 1736 O GLN B 97 13.164 15.284 14.644 1.00 0.00 O ATOM 1737 CB GLN B 97 10.692 13.515 14.320 1.00 0.00 C ATOM 1738 CG GLN B 97 11.242 12.149 13.886 1.00 0.00 C ATOM 1739 CD GLN B 97 10.729 11.033 14.786 1.00 0.00 C ATOM 1740 OE1 GLN B 97 11.225 10.814 15.882 1.00 0.00 O ATOM 1741 NE2 GLN B 97 9.713 10.311 14.356 1.00 0.00 N ATOM 0 H GLN B 97 10.445 13.534 11.853 1.00 0.00 H new ATOM 0 HA GLN B 97 10.728 15.608 13.811 1.00 0.00 H new ATOM 0 HB2 GLN B 97 10.987 13.704 15.352 1.00 0.00 H new ATOM 0 HB3 GLN B 97 9.603 13.480 14.301 1.00 0.00 H new ATOM 0 HG2 GLN B 97 10.952 11.949 12.854 1.00 0.00 H new ATOM 0 HG3 GLN B 97 12.332 12.168 13.913 1.00 0.00 H new ATOM 0 HE21 GLN B 97 9.305 10.500 13.441 1.00 0.00 H new ATOM 0 HE22 GLN B 97 9.335 9.564 14.939 1.00 0.00 H new ATOM 1750 N ARG B 98 13.456 14.817 12.475 1.00 0.00 N ATOM 1751 CA ARG B 98 14.852 15.252 12.379 1.00 0.00 C ATOM 1752 C ARG B 98 15.808 14.603 13.404 1.00 0.00 C ATOM 1753 O ARG B 98 16.370 15.260 14.277 1.00 0.00 O ATOM 1754 CB ARG B 98 14.879 16.792 12.323 1.00 0.00 C ATOM 1755 CG ARG B 98 16.251 17.489 12.304 1.00 0.00 C ATOM 1756 CD ARG B 98 17.361 16.781 11.520 1.00 0.00 C ATOM 1757 NE ARG B 98 16.949 16.442 10.144 1.00 0.00 N ATOM 1758 CZ ARG B 98 17.462 15.482 9.368 1.00 0.00 C ATOM 1759 NH1 ARG B 98 18.309 14.581 9.832 1.00 0.00 N ATOM 1760 NH2 ARG B 98 17.114 15.431 8.102 1.00 0.00 N ATOM 0 H ARG B 98 13.110 14.400 11.611 1.00 0.00 H new ATOM 0 HA ARG B 98 15.276 14.873 11.449 1.00 0.00 H new ATOM 0 HB2 ARG B 98 14.333 17.104 11.432 1.00 0.00 H new ATOM 0 HB3 ARG B 98 14.325 17.167 13.184 1.00 0.00 H new ATOM 0 HG2 ARG B 98 16.122 18.488 11.887 1.00 0.00 H new ATOM 0 HG3 ARG B 98 16.586 17.614 13.334 1.00 0.00 H new ATOM 0 HD2 ARG B 98 18.243 17.421 11.485 1.00 0.00 H new ATOM 0 HD3 ARG B 98 17.649 15.870 12.045 1.00 0.00 H new ATOM 0 HE ARG B 98 16.194 16.998 9.743 1.00 0.00 H new ATOM 0 HH11 ARG B 98 18.592 14.604 10.812 1.00 0.00 H new ATOM 0 HH12 ARG B 98 18.680 13.863 9.211 1.00 0.00 H new ATOM 0 HH21 ARG B 98 16.461 16.118 7.724 1.00 0.00 H new ATOM 0 HH22 ARG B 98 17.497 14.705 7.497 1.00 0.00 H new ATOM 1774 N LEU B 99 16.091 13.314 13.203 1.00 0.00 N ATOM 1775 CA LEU B 99 17.164 12.591 13.897 1.00 0.00 C ATOM 1776 C LEU B 99 18.566 13.065 13.445 1.00 0.00 C ATOM 1777 O LEU B 99 18.688 13.735 12.415 1.00 0.00 O ATOM 1778 CB LEU B 99 16.997 11.084 13.654 1.00 0.00 C ATOM 1779 CG LEU B 99 15.564 10.562 13.854 1.00 0.00 C ATOM 1780 CD1 LEU B 99 15.549 9.042 13.691 1.00 0.00 C ATOM 1781 CD2 LEU B 99 14.999 10.908 15.231 1.00 0.00 C ATOM 0 H LEU B 99 15.574 12.732 12.544 1.00 0.00 H new ATOM 0 HA LEU B 99 17.087 12.802 14.964 1.00 0.00 H new ATOM 0 HB2 LEU B 99 17.315 10.855 12.637 1.00 0.00 H new ATOM 0 HB3 LEU B 99 17.664 10.544 14.326 1.00 0.00 H new ATOM 0 HG LEU B 99 14.940 11.046 13.103 1.00 0.00 H new ATOM 0 HD11 LEU B 99 14.534 8.671 13.833 1.00 0.00 H new ATOM 0 HD12 LEU B 99 15.895 8.780 12.691 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.207 8.590 14.433 1.00 0.00 H new ATOM 0 HD21 LEU B 99 13.986 10.516 15.318 1.00 0.00 H new ATOM 0 HD22 LEU B 99 15.627 10.465 16.004 1.00 0.00 H new ATOM 0 HD23 LEU B 99 14.981 11.991 15.355 1.00 0.00 H new ATOM 1793 N GLN B 100 19.622 12.741 14.198 1.00 0.00 N ATOM 1794 CA GLN B 100 20.971 13.286 14.013 1.00 0.00 C ATOM 1795 C GLN B 100 22.022 12.246 13.576 1.00 0.00 C ATOM 1796 O GLN B 100 22.924 12.586 12.807 1.00 0.00 O ATOM 1797 CB GLN B 100 21.381 13.992 15.316 1.00 0.00 C ATOM 1798 CG GLN B 100 22.781 14.631 15.293 1.00 0.00 C ATOM 1799 CD GLN B 100 22.945 15.734 14.253 1.00 0.00 C ATOM 1800 OE1 GLN B 100 22.847 16.915 14.553 1.00 0.00 O ATOM 1801 NE2 GLN B 100 23.235 15.385 13.012 1.00 0.00 N ATOM 0 H GLN B 100 19.561 12.078 14.970 1.00 0.00 H new ATOM 0 HA GLN B 100 20.937 13.992 13.183 1.00 0.00 H new ATOM 0 HB2 GLN B 100 20.647 14.767 15.539 1.00 0.00 H new ATOM 0 HB3 GLN B 100 21.340 13.270 16.132 1.00 0.00 H new ATOM 0 HG2 GLN B 100 22.998 15.041 16.279 1.00 0.00 H new ATOM 0 HG3 GLN B 100 23.520 13.853 15.102 1.00 0.00 H new ATOM 0 HE21 GLN B 100 23.316 14.399 12.765 1.00 0.00 H new ATOM 0 HE22 GLN B 100 23.378 16.102 12.301 1.00 0.00 H new ATOM 1810 N SER B 101 21.973 11.021 14.100 1.00 0.00 N ATOM 1811 CA SER B 101 22.986 9.984 13.854 1.00 0.00 C ATOM 1812 C SER B 101 22.506 8.853 12.936 1.00 0.00 C ATOM 1813 O SER B 101 21.376 8.376 13.034 1.00 0.00 O ATOM 1814 CB SER B 101 23.440 9.386 15.189 1.00 0.00 C ATOM 1815 OG SER B 101 24.476 8.429 15.002 1.00 0.00 O ATOM 0 H SER B 101 21.220 10.713 14.716 1.00 0.00 H new ATOM 0 HA SER B 101 23.810 10.478 13.339 1.00 0.00 H new ATOM 0 HB2 SER B 101 23.792 10.182 15.845 1.00 0.00 H new ATOM 0 HB3 SER B 101 22.592 8.915 15.686 1.00 0.00 H new ATOM 0 HG SER B 101 24.747 8.066 15.871 1.00 0.00 H new ATOM 1821 N GLU B 102 23.415 8.328 12.117 1.00 0.00 N ATOM 1822 CA GLU B 102 23.296 7.060 11.407 1.00 0.00 C ATOM 1823 C GLU B 102 22.721 5.945 12.308 1.00 0.00 C ATOM 1824 O GLU B 102 21.861 5.163 11.906 1.00 0.00 O ATOM 1825 CB GLU B 102 24.674 6.688 10.824 1.00 0.00 C ATOM 1826 CG GLU B 102 25.218 7.756 9.847 1.00 0.00 C ATOM 1827 CD GLU B 102 26.145 8.793 10.462 1.00 0.00 C ATOM 1828 OE1 GLU B 102 25.748 9.472 11.433 1.00 0.00 O ATOM 1829 OE2 GLU B 102 27.320 8.888 10.050 1.00 0.00 O ATOM 0 H GLU B 102 24.298 8.800 11.922 1.00 0.00 H new ATOM 0 HA GLU B 102 22.584 7.170 10.589 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.384 6.553 11.640 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.598 5.732 10.305 1.00 0.00 H new ATOM 0 HG2 GLU B 102 25.751 7.250 9.042 1.00 0.00 H new ATOM 0 HG3 GLU B 102 24.372 8.273 9.394 1.00 0.00 H new ATOM 1836 N GLN B 103 23.148 5.909 13.573 1.00 0.00 N ATOM 1837 CA GLN B 103 22.591 4.983 14.556 1.00 0.00 C ATOM 1838 C GLN B 103 21.099 5.237 14.820 1.00 0.00 C ATOM 1839 O GLN B 103 20.283 4.322 14.839 1.00 0.00 O ATOM 1840 CB GLN B 103 23.395 5.066 15.863 1.00 0.00 C ATOM 1841 CG GLN B 103 24.871 4.685 15.667 1.00 0.00 C ATOM 1842 CD GLN B 103 25.049 3.300 15.056 1.00 0.00 C ATOM 1843 OE1 GLN B 103 25.613 3.135 13.984 1.00 0.00 O ATOM 1844 NE2 GLN B 103 24.558 2.271 15.721 1.00 0.00 N ATOM 0 H GLN B 103 23.882 6.515 13.940 1.00 0.00 H new ATOM 0 HA GLN B 103 22.670 3.977 14.144 1.00 0.00 H new ATOM 0 HB2 GLN B 103 23.334 6.079 16.261 1.00 0.00 H new ATOM 0 HB3 GLN B 103 22.947 4.405 16.605 1.00 0.00 H new ATOM 0 HG2 GLN B 103 25.350 5.424 15.025 1.00 0.00 H new ATOM 0 HG3 GLN B 103 25.381 4.720 16.630 1.00 0.00 H new ATOM 0 HE21 GLN B 103 24.089 2.418 16.615 1.00 0.00 H new ATOM 0 HE22 GLN B 103 24.648 1.329 15.341 1.00 0.00 H new ATOM 1853 N GLU B 104 20.727 6.493 15.019 1.00 0.00 N ATOM 1854 CA GLU B 104 19.350 6.866 15.303 1.00 0.00 C ATOM 1855 C GLU B 104 18.443 6.545 14.117 1.00 0.00 C ATOM 1856 O GLU B 104 17.378 5.957 14.299 1.00 0.00 O ATOM 1857 CB GLU B 104 19.306 8.349 15.645 1.00 0.00 C ATOM 1858 CG GLU B 104 20.132 8.642 16.908 1.00 0.00 C ATOM 1859 CD GLU B 104 20.644 10.077 16.927 1.00 0.00 C ATOM 1860 OE1 GLU B 104 20.085 10.904 16.174 1.00 0.00 O ATOM 1861 OE2 GLU B 104 21.696 10.279 17.565 1.00 0.00 O ATOM 0 H GLU B 104 21.372 7.282 14.988 1.00 0.00 H new ATOM 0 HA GLU B 104 18.982 6.290 16.152 1.00 0.00 H new ATOM 0 HB2 GLU B 104 19.693 8.931 14.809 1.00 0.00 H new ATOM 0 HB3 GLU B 104 18.273 8.661 15.800 1.00 0.00 H new ATOM 0 HG2 GLU B 104 19.521 8.462 17.792 1.00 0.00 H new ATOM 0 HG3 GLU B 104 20.976 7.954 16.959 1.00 0.00 H new ATOM 1868 N VAL B 105 18.872 6.873 12.893 1.00 0.00 N ATOM 1869 CA VAL B 105 18.059 6.555 11.729 1.00 0.00 C ATOM 1870 C VAL B 105 17.970 5.038 11.549 1.00 0.00 C ATOM 1871 O VAL B 105 16.877 4.534 11.342 1.00 0.00 O ATOM 1872 CB VAL B 105 18.474 7.317 10.460 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.704 8.810 10.724 1.00 0.00 C ATOM 1874 CG2 VAL B 105 19.723 6.735 9.820 1.00 0.00 C ATOM 0 H VAL B 105 19.753 7.345 12.692 1.00 0.00 H new ATOM 0 HA VAL B 105 17.049 6.918 11.917 1.00 0.00 H new ATOM 0 HB VAL B 105 17.636 7.204 9.772 1.00 0.00 H new ATOM 0 HG11 VAL B 105 18.995 9.303 9.796 1.00 0.00 H new ATOM 0 HG12 VAL B 105 17.785 9.259 11.100 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.496 8.931 11.463 1.00 0.00 H new ATOM 0 HG21 VAL B 105 19.975 7.308 8.928 1.00 0.00 H new ATOM 0 HG22 VAL B 105 20.551 6.783 10.528 1.00 0.00 H new ATOM 0 HG23 VAL B 105 19.541 5.696 9.545 1.00 0.00 H new ATOM 1884 N LEU B 106 19.057 4.270 11.703 1.00 0.00 N ATOM 1885 CA LEU B 106 18.906 2.812 11.603 1.00 0.00 C ATOM 1886 C LEU B 106 17.986 2.242 12.696 1.00 0.00 C ATOM 1887 O LEU B 106 17.171 1.365 12.408 1.00 0.00 O ATOM 1888 CB LEU B 106 20.243 2.067 11.417 1.00 0.00 C ATOM 1889 CG LEU B 106 21.152 1.932 12.646 1.00 0.00 C ATOM 1890 CD1 LEU B 106 20.795 0.766 13.580 1.00 0.00 C ATOM 1891 CD2 LEU B 106 22.606 1.753 12.194 1.00 0.00 C ATOM 0 H LEU B 106 20.001 4.609 11.887 1.00 0.00 H new ATOM 0 HA LEU B 106 18.379 2.615 10.670 1.00 0.00 H new ATOM 0 HB2 LEU B 106 20.022 1.065 11.049 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.807 2.576 10.635 1.00 0.00 H new ATOM 0 HG LEU B 106 21.008 2.851 13.215 1.00 0.00 H new ATOM 0 HD11 LEU B 106 21.489 0.747 14.420 1.00 0.00 H new ATOM 0 HD12 LEU B 106 19.779 0.896 13.952 1.00 0.00 H new ATOM 0 HD13 LEU B 106 20.864 -0.174 13.032 1.00 0.00 H new ATOM 0 HD21 LEU B 106 23.250 1.657 13.068 1.00 0.00 H new ATOM 0 HD22 LEU B 106 22.689 0.855 11.582 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.915 2.620 11.609 1.00 0.00 H new ATOM 1903 N ASN B 107 18.057 2.750 13.935 1.00 0.00 N ATOM 1904 CA ASN B 107 17.162 2.306 15.008 1.00 0.00 C ATOM 1905 C ASN B 107 15.698 2.619 14.664 1.00 0.00 C ATOM 1906 O ASN B 107 14.838 1.733 14.604 1.00 0.00 O ATOM 1907 CB ASN B 107 17.536 2.998 16.333 1.00 0.00 C ATOM 1908 CG ASN B 107 18.929 2.673 16.857 1.00 0.00 C ATOM 1909 OD1 ASN B 107 19.458 1.588 16.657 1.00 0.00 O ATOM 1910 ND2 ASN B 107 19.533 3.612 17.571 1.00 0.00 N ATOM 0 H ASN B 107 18.725 3.468 14.216 1.00 0.00 H new ATOM 0 HA ASN B 107 17.275 1.227 15.116 1.00 0.00 H new ATOM 0 HB2 ASN B 107 17.458 4.077 16.197 1.00 0.00 H new ATOM 0 HB3 ASN B 107 16.804 2.718 17.091 1.00 0.00 H new ATOM 0 HD21 ASN B 107 20.457 3.437 17.966 1.00 0.00 H new ATOM 0 HD22 ASN B 107 19.074 4.510 17.725 1.00 0.00 H new ATOM 1917 N TYR B 108 15.414 3.902 14.431 1.00 0.00 N ATOM 1918 CA TYR B 108 14.095 4.390 14.063 1.00 0.00 C ATOM 1919 C TYR B 108 13.547 3.647 12.841 1.00 0.00 C ATOM 1920 O TYR B 108 12.469 3.062 12.895 1.00 0.00 O ATOM 1921 CB TYR B 108 14.164 5.899 13.809 1.00 0.00 C ATOM 1922 CG TYR B 108 12.814 6.488 13.456 1.00 0.00 C ATOM 1923 CD1 TYR B 108 12.313 6.349 12.148 1.00 0.00 C ATOM 1924 CD2 TYR B 108 11.970 6.951 14.482 1.00 0.00 C ATOM 1925 CE1 TYR B 108 10.949 6.549 11.896 1.00 0.00 C ATOM 1926 CE2 TYR B 108 10.613 7.190 14.215 1.00 0.00 C ATOM 1927 CZ TYR B 108 10.109 6.991 12.923 1.00 0.00 C ATOM 1928 OH TYR B 108 8.770 6.991 12.722 1.00 0.00 O ATOM 0 H TYR B 108 16.113 4.642 14.496 1.00 0.00 H new ATOM 0 HA TYR B 108 13.406 4.200 14.886 1.00 0.00 H new ATOM 0 HB2 TYR B 108 14.553 6.397 14.697 1.00 0.00 H new ATOM 0 HB3 TYR B 108 14.866 6.097 12.999 1.00 0.00 H new ATOM 0 HD1 TYR B 108 12.979 6.088 11.339 1.00 0.00 H new ATOM 0 HD2 TYR B 108 12.365 7.122 15.472 1.00 0.00 H new ATOM 0 HE1 TYR B 108 10.547 6.362 10.911 1.00 0.00 H new ATOM 0 HE2 TYR B 108 9.958 7.527 15.005 1.00 0.00 H new ATOM 0 HH TYR B 108 8.319 7.324 13.526 1.00 0.00 H new ATOM 1938 N ILE B 109 14.289 3.654 11.734 1.00 0.00 N ATOM 1939 CA ILE B 109 13.879 3.013 10.491 1.00 0.00 C ATOM 1940 C ILE B 109 13.519 1.547 10.732 1.00 0.00 C ATOM 1941 O ILE B 109 12.429 1.124 10.377 1.00 0.00 O ATOM 1942 CB ILE B 109 14.955 3.129 9.401 1.00 0.00 C ATOM 1943 CG1 ILE B 109 15.090 4.583 8.928 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.578 2.243 8.205 1.00 0.00 C ATOM 1945 CD1 ILE B 109 16.366 4.758 8.104 1.00 0.00 C ATOM 0 H ILE B 109 15.200 4.110 11.677 1.00 0.00 H new ATOM 0 HA ILE B 109 12.994 3.539 10.134 1.00 0.00 H new ATOM 0 HB ILE B 109 15.907 2.802 9.820 1.00 0.00 H new ATOM 0 HG12 ILE B 109 14.222 4.860 8.330 1.00 0.00 H new ATOM 0 HG13 ILE B 109 15.110 5.252 9.788 1.00 0.00 H new ATOM 0 HG21 ILE B 109 15.344 2.328 7.434 1.00 0.00 H new ATOM 0 HG22 ILE B 109 14.504 1.205 8.530 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.619 2.566 7.801 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.448 5.794 7.776 1.00 0.00 H new ATOM 0 HD12 ILE B 109 17.232 4.501 8.715 1.00 0.00 H new ATOM 0 HD13 ILE B 109 16.329 4.103 7.233 1.00 0.00 H new ATOM 1957 N GLU B 110 14.398 0.745 11.332 1.00 0.00 N ATOM 1958 CA GLU B 110 14.107 -0.666 11.593 1.00 0.00 C ATOM 1959 C GLU B 110 12.832 -0.861 12.450 1.00 0.00 C ATOM 1960 O GLU B 110 12.021 -1.763 12.192 1.00 0.00 O ATOM 1961 CB GLU B 110 15.373 -1.312 12.171 1.00 0.00 C ATOM 1962 CG GLU B 110 16.442 -1.431 11.061 1.00 0.00 C ATOM 1963 CD GLU B 110 16.468 -2.788 10.380 1.00 0.00 C ATOM 1964 OE1 GLU B 110 17.143 -3.686 10.930 1.00 0.00 O ATOM 1965 OE2 GLU B 110 15.855 -2.913 9.301 1.00 0.00 O ATOM 0 H GLU B 110 15.319 1.048 11.647 1.00 0.00 H new ATOM 0 HA GLU B 110 13.859 -1.181 10.665 1.00 0.00 H new ATOM 0 HB2 GLU B 110 15.756 -0.712 12.997 1.00 0.00 H new ATOM 0 HB3 GLU B 110 15.140 -2.298 12.574 1.00 0.00 H new ATOM 0 HG2 GLU B 110 16.261 -0.661 10.311 1.00 0.00 H new ATOM 0 HG3 GLU B 110 17.423 -1.232 11.491 1.00 0.00 H new ATOM 1972 N THR B 111 12.605 0.021 13.426 1.00 0.00 N ATOM 1973 CA THR B 111 11.345 0.081 14.174 1.00 0.00 C ATOM 1974 C THR B 111 10.143 0.373 13.255 1.00 0.00 C ATOM 1975 O THR B 111 9.221 -0.435 13.161 1.00 0.00 O ATOM 1976 CB THR B 111 11.446 1.092 15.329 1.00 0.00 C ATOM 1977 OG1 THR B 111 12.591 0.806 16.103 1.00 0.00 O ATOM 1978 CG2 THR B 111 10.239 0.993 16.262 1.00 0.00 C ATOM 0 H THR B 111 13.291 0.716 13.721 1.00 0.00 H new ATOM 0 HA THR B 111 11.168 -0.903 14.608 1.00 0.00 H new ATOM 0 HB THR B 111 11.493 2.088 14.889 1.00 0.00 H new ATOM 0 HG1 THR B 111 13.388 1.149 15.648 1.00 0.00 H new ATOM 0 HG21 THR B 111 10.341 1.720 17.067 1.00 0.00 H new ATOM 0 HG22 THR B 111 9.327 1.198 15.701 1.00 0.00 H new ATOM 0 HG23 THR B 111 10.187 -0.011 16.684 1.00 0.00 H new ATOM 1986 N GLN B 112 10.165 1.486 12.525 1.00 0.00 N ATOM 1987 CA GLN B 112 9.137 1.915 11.570 1.00 0.00 C ATOM 1988 C GLN B 112 8.865 0.858 10.470 1.00 0.00 C ATOM 1989 O GLN B 112 7.717 0.569 10.153 1.00 0.00 O ATOM 1990 CB GLN B 112 9.558 3.304 11.055 1.00 0.00 C ATOM 1991 CG GLN B 112 8.730 3.931 9.923 1.00 0.00 C ATOM 1992 CD GLN B 112 7.300 4.333 10.252 1.00 0.00 C ATOM 1993 OE1 GLN B 112 6.367 3.838 9.636 1.00 0.00 O ATOM 1994 NE2 GLN B 112 7.104 5.272 11.152 1.00 0.00 N ATOM 0 H GLN B 112 10.938 2.149 12.584 1.00 0.00 H new ATOM 0 HA GLN B 112 8.162 2.004 12.050 1.00 0.00 H new ATOM 0 HB2 GLN B 112 9.545 3.992 11.900 1.00 0.00 H new ATOM 0 HB3 GLN B 112 10.592 3.236 10.715 1.00 0.00 H new ATOM 0 HG2 GLN B 112 9.257 4.817 9.568 1.00 0.00 H new ATOM 0 HG3 GLN B 112 8.701 3.224 9.094 1.00 0.00 H new ATOM 0 HE21 GLN B 112 7.897 5.671 11.654 1.00 0.00 H new ATOM 0 HE22 GLN B 112 6.159 5.601 11.348 1.00 0.00 H new ATOM 2003 N ARG B 113 9.891 0.184 9.943 1.00 0.00 N ATOM 2004 CA ARG B 113 9.760 -1.006 9.094 1.00 0.00 C ATOM 2005 C ARG B 113 8.949 -2.109 9.798 1.00 0.00 C ATOM 2006 O ARG B 113 8.178 -2.845 9.185 1.00 0.00 O ATOM 2007 CB ARG B 113 11.142 -1.588 8.731 1.00 0.00 C ATOM 2008 CG ARG B 113 11.980 -0.779 7.736 1.00 0.00 C ATOM 2009 CD ARG B 113 13.275 -1.538 7.398 1.00 0.00 C ATOM 2010 NE ARG B 113 13.032 -2.679 6.479 1.00 0.00 N ATOM 2011 CZ ARG B 113 13.769 -3.800 6.382 1.00 0.00 C ATOM 2012 NH1 ARG B 113 14.729 -4.105 7.230 1.00 0.00 N ATOM 2013 NH2 ARG B 113 13.580 -4.685 5.423 1.00 0.00 N ATOM 0 H ARG B 113 10.861 0.457 10.098 1.00 0.00 H new ATOM 0 HA ARG B 113 9.242 -0.686 8.190 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.717 -1.701 9.650 1.00 0.00 H new ATOM 0 HB3 ARG B 113 10.995 -2.587 8.321 1.00 0.00 H new ATOM 0 HG2 ARG B 113 11.406 -0.599 6.827 1.00 0.00 H new ATOM 0 HG3 ARG B 113 12.220 0.196 8.159 1.00 0.00 H new ATOM 0 HD2 ARG B 113 13.988 -0.851 6.942 1.00 0.00 H new ATOM 0 HD3 ARG B 113 13.730 -1.905 8.318 1.00 0.00 H new ATOM 0 HE ARG B 113 12.225 -2.605 5.859 1.00 0.00 H new ATOM 0 HH11 ARG B 113 14.943 -3.478 8.005 1.00 0.00 H new ATOM 0 HH12 ARG B 113 15.259 -4.969 7.112 1.00 0.00 H new ATOM 0 HH21 ARG B 113 12.855 -4.531 4.722 1.00 0.00 H new ATOM 0 HH22 ARG B 113 14.159 -5.524 5.382 1.00 0.00 H new ATOM 2027 N THR B 114 9.199 -2.324 11.085 1.00 0.00 N ATOM 2028 CA THR B 114 8.496 -3.327 11.891 1.00 0.00 C ATOM 2029 C THR B 114 7.039 -2.964 12.206 1.00 0.00 C ATOM 2030 O THR B 114 6.159 -3.796 11.990 1.00 0.00 O ATOM 2031 CB THR B 114 9.367 -3.728 13.085 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.579 -4.225 12.530 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.739 -4.827 13.941 1.00 0.00 C ATOM 0 H THR B 114 9.903 -1.803 11.608 1.00 0.00 H new ATOM 0 HA THR B 114 8.361 -4.229 11.295 1.00 0.00 H new ATOM 0 HB THR B 114 9.504 -2.865 13.737 1.00 0.00 H new ATOM 0 HG1 THR B 114 11.195 -3.480 12.369 1.00 0.00 H new ATOM 0 HG21 THR B 114 9.404 -5.067 14.771 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.782 -4.482 14.332 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.583 -5.718 13.332 1.00 0.00 H new ATOM 2041 N TYR B 115 6.757 -1.718 12.579 1.00 0.00 N ATOM 2042 CA TYR B 115 5.407 -1.159 12.491 1.00 0.00 C ATOM 2043 C TYR B 115 4.770 -1.458 11.118 1.00 0.00 C ATOM 2044 O TYR B 115 3.703 -2.067 11.030 1.00 0.00 O ATOM 2045 CB TYR B 115 5.477 0.345 12.783 1.00 0.00 C ATOM 2046 CG TYR B 115 4.242 1.118 12.371 1.00 0.00 C ATOM 2047 CD1 TYR B 115 3.074 1.041 13.150 1.00 0.00 C ATOM 2048 CD2 TYR B 115 4.234 1.841 11.164 1.00 0.00 C ATOM 2049 CE1 TYR B 115 1.901 1.679 12.714 1.00 0.00 C ATOM 2050 CE2 TYR B 115 3.066 2.502 10.747 1.00 0.00 C ATOM 2051 CZ TYR B 115 1.901 2.414 11.520 1.00 0.00 C ATOM 2052 OH TYR B 115 0.734 2.914 11.039 1.00 0.00 O ATOM 0 H TYR B 115 7.452 -1.069 12.949 1.00 0.00 H new ATOM 0 HA TYR B 115 4.762 -1.629 13.234 1.00 0.00 H new ATOM 0 HB2 TYR B 115 5.642 0.489 13.851 1.00 0.00 H new ATOM 0 HB3 TYR B 115 6.342 0.763 12.268 1.00 0.00 H new ATOM 0 HD1 TYR B 115 3.079 0.493 14.081 1.00 0.00 H new ATOM 0 HD2 TYR B 115 5.126 1.888 10.557 1.00 0.00 H new ATOM 0 HE1 TYR B 115 0.997 1.603 13.300 1.00 0.00 H new ATOM 0 HE2 TYR B 115 3.067 3.077 9.833 1.00 0.00 H new ATOM 0 HH TYR B 115 -0.012 2.357 11.346 1.00 0.00 H new ATOM 2062 N TRP B 116 5.464 -1.125 10.031 1.00 0.00 N ATOM 2063 CA TRP B 116 4.991 -1.389 8.678 1.00 0.00 C ATOM 2064 C TRP B 116 4.698 -2.862 8.378 1.00 0.00 C ATOM 2065 O TRP B 116 3.718 -3.177 7.699 1.00 0.00 O ATOM 2066 CB TRP B 116 5.937 -0.768 7.643 1.00 0.00 C ATOM 2067 CG TRP B 116 5.520 0.611 7.261 1.00 0.00 C ATOM 2068 CD1 TRP B 116 6.209 1.757 7.439 1.00 0.00 C ATOM 2069 CD2 TRP B 116 4.216 1.002 6.760 1.00 0.00 C ATOM 2070 NE1 TRP B 116 5.424 2.827 7.055 1.00 0.00 N ATOM 2071 CE2 TRP B 116 4.174 2.418 6.643 1.00 0.00 C ATOM 2072 CE3 TRP B 116 3.042 0.290 6.450 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 3.023 3.089 6.217 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.866 0.957 6.086 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.869 2.349 5.920 1.00 0.00 C ATOM 0 H TRP B 116 6.373 -0.663 10.067 1.00 0.00 H new ATOM 0 HA TRP B 116 4.019 -0.902 8.603 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.949 -0.742 8.047 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.965 -1.398 6.754 1.00 0.00 H new ATOM 0 HD1 TRP B 116 7.216 1.827 7.822 1.00 0.00 H new ATOM 0 HE1 TRP B 116 5.731 3.799 7.074 1.00 0.00 H new ATOM 0 HE3 TRP B 116 3.048 -0.789 6.494 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 3.023 4.164 6.118 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.955 0.398 5.933 1.00 0.00 H new ATOM 0 HH2 TRP B 116 0.982 2.852 5.563 1.00 0.00 H new ATOM 2086 N LYS B 117 5.514 -3.793 8.874 1.00 0.00 N ATOM 2087 CA LYS B 117 5.128 -5.201 8.831 1.00 0.00 C ATOM 2088 C LYS B 117 3.754 -5.407 9.496 1.00 0.00 C ATOM 2089 O LYS B 117 2.850 -5.954 8.865 1.00 0.00 O ATOM 2090 CB LYS B 117 6.191 -6.113 9.476 1.00 0.00 C ATOM 2091 CG LYS B 117 7.476 -6.216 8.647 1.00 0.00 C ATOM 2092 CD LYS B 117 8.454 -7.269 9.201 1.00 0.00 C ATOM 2093 CE LYS B 117 9.210 -6.850 10.475 1.00 0.00 C ATOM 2094 NZ LYS B 117 10.127 -5.705 10.255 1.00 0.00 N ATOM 0 H LYS B 117 6.422 -3.605 9.299 1.00 0.00 H new ATOM 0 HA LYS B 117 5.054 -5.486 7.781 1.00 0.00 H new ATOM 0 HB2 LYS B 117 6.435 -5.732 10.468 1.00 0.00 H new ATOM 0 HB3 LYS B 117 5.772 -7.110 9.612 1.00 0.00 H new ATOM 0 HG2 LYS B 117 7.221 -6.468 7.618 1.00 0.00 H new ATOM 0 HG3 LYS B 117 7.969 -5.244 8.624 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.899 -8.183 9.410 1.00 0.00 H new ATOM 0 HD3 LYS B 117 9.183 -7.509 8.427 1.00 0.00 H new ATOM 0 HE2 LYS B 117 8.489 -6.587 11.249 1.00 0.00 H new ATOM 0 HE3 LYS B 117 9.782 -7.700 10.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 10.530 -5.403 11.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.894 -5.993 9.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 9.600 -4.915 9.831 1.00 0.00 H new ATOM 2108 N LEU B 118 3.570 -4.930 10.729 1.00 0.00 N ATOM 2109 CA LEU B 118 2.287 -5.031 11.429 1.00 0.00 C ATOM 2110 C LEU B 118 1.115 -4.415 10.639 1.00 0.00 C ATOM 2111 O LEU B 118 0.111 -5.088 10.419 1.00 0.00 O ATOM 2112 CB LEU B 118 2.379 -4.486 12.860 1.00 0.00 C ATOM 2113 CG LEU B 118 3.393 -5.239 13.743 1.00 0.00 C ATOM 2114 CD1 LEU B 118 3.472 -4.540 15.103 1.00 0.00 C ATOM 2115 CD2 LEU B 118 3.018 -6.711 13.956 1.00 0.00 C ATOM 0 H LEU B 118 4.301 -4.466 11.268 1.00 0.00 H new ATOM 0 HA LEU B 118 2.060 -6.095 11.503 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.655 -3.432 12.821 1.00 0.00 H new ATOM 0 HB3 LEU B 118 1.394 -4.540 13.325 1.00 0.00 H new ATOM 0 HG LEU B 118 4.355 -5.223 13.230 1.00 0.00 H new ATOM 0 HD11 LEU B 118 4.186 -5.062 15.739 1.00 0.00 H new ATOM 0 HD12 LEU B 118 3.796 -3.509 14.964 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.490 -4.551 15.575 1.00 0.00 H new ATOM 0 HD21 LEU B 118 3.768 -7.190 14.585 1.00 0.00 H new ATOM 0 HD22 LEU B 118 2.044 -6.772 14.442 1.00 0.00 H new ATOM 0 HD23 LEU B 118 2.975 -7.219 12.992 1.00 0.00 H new ATOM 2127 N GLU B 119 1.214 -3.179 10.142 1.00 0.00 N ATOM 2128 CA GLU B 119 0.185 -2.606 9.262 1.00 0.00 C ATOM 2129 C GLU B 119 -0.137 -3.516 8.065 1.00 0.00 C ATOM 2130 O GLU B 119 -1.293 -3.798 7.746 1.00 0.00 O ATOM 2131 CB GLU B 119 0.627 -1.226 8.764 1.00 0.00 C ATOM 2132 CG GLU B 119 0.603 -0.153 9.863 1.00 0.00 C ATOM 2133 CD GLU B 119 -0.779 0.188 10.393 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -1.797 -0.195 9.773 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -0.850 0.762 11.499 1.00 0.00 O ATOM 0 H GLU B 119 1.996 -2.553 10.333 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.726 -2.511 9.853 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.636 -1.299 8.358 1.00 0.00 H new ATOM 0 HB3 GLU B 119 -0.024 -0.915 7.947 1.00 0.00 H new ATOM 0 HG2 GLU B 119 1.222 -0.491 10.694 1.00 0.00 H new ATOM 0 HG3 GLU B 119 1.061 0.756 9.473 1.00 0.00 H new ATOM 2142 N ASN B 120 0.884 -4.053 7.402 1.00 0.00 N ATOM 2143 CA ASN B 120 0.709 -5.002 6.302 1.00 0.00 C ATOM 2144 C ASN B 120 0.248 -6.408 6.737 1.00 0.00 C ATOM 2145 O ASN B 120 -0.212 -7.199 5.905 1.00 0.00 O ATOM 2146 CB ASN B 120 1.989 -5.024 5.476 1.00 0.00 C ATOM 2147 CG ASN B 120 2.080 -3.758 4.645 1.00 0.00 C ATOM 2148 OD1 ASN B 120 1.333 -3.578 3.700 1.00 0.00 O ATOM 2149 ND2 ASN B 120 2.944 -2.837 5.011 1.00 0.00 N ATOM 0 H ASN B 120 1.860 -3.843 7.612 1.00 0.00 H new ATOM 0 HA ASN B 120 -0.120 -4.654 5.685 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.856 -5.104 6.132 1.00 0.00 H new ATOM 0 HB3 ASN B 120 2.000 -5.899 4.826 1.00 0.00 H new ATOM 0 HD21 ASN B 120 2.996 -1.955 4.501 1.00 0.00 H new ATOM 0 HD22 ASN B 120 3.562 -3.004 5.805 1.00 0.00 H new ATOM 2156 N GLN B 121 0.346 -6.722 8.027 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.185 -7.922 8.672 1.00 0.00 C ATOM 2158 C GLN B 121 -1.662 -7.756 9.081 1.00 0.00 C ATOM 2159 O GLN B 121 -2.428 -8.711 9.005 1.00 0.00 O ATOM 2160 CB GLN B 121 0.711 -8.232 9.877 1.00 0.00 C ATOM 2161 CG GLN B 121 0.491 -9.604 10.519 1.00 0.00 C ATOM 2162 CD GLN B 121 1.525 -9.820 11.619 1.00 0.00 C ATOM 2163 OE1 GLN B 121 2.593 -10.359 11.378 1.00 0.00 O ATOM 2164 NE2 GLN B 121 1.256 -9.354 12.827 1.00 0.00 N ATOM 0 H GLN B 121 0.825 -6.111 8.688 1.00 0.00 H new ATOM 0 HA GLN B 121 -0.173 -8.757 7.971 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.752 -8.159 9.563 1.00 0.00 H new ATOM 0 HB3 GLN B 121 0.552 -7.465 10.635 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -0.515 -9.667 10.933 1.00 0.00 H new ATOM 0 HG3 GLN B 121 0.575 -10.388 9.766 1.00 0.00 H new ATOM 0 HE21 GLN B 121 0.359 -8.906 13.013 1.00 0.00 H new ATOM 0 HE22 GLN B 121 1.946 -9.443 13.573 1.00 0.00 H new ATOM 2173 N LYS B 122 -2.082 -6.555 9.499 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.452 -6.273 9.925 1.00 0.00 C ATOM 2175 C LYS B 122 -4.512 -6.798 8.930 1.00 0.00 C ATOM 2176 O LYS B 122 -4.475 -6.481 7.736 1.00 0.00 O ATOM 2177 CB LYS B 122 -3.650 -4.760 10.106 1.00 0.00 C ATOM 2178 CG LYS B 122 -3.057 -4.095 11.359 1.00 0.00 C ATOM 2179 CD LYS B 122 -3.537 -2.632 11.347 1.00 0.00 C ATOM 2180 CE LYS B 122 -2.861 -1.705 12.371 1.00 0.00 C ATOM 2181 NZ LYS B 122 -3.142 -0.282 12.059 1.00 0.00 N ATOM 0 H LYS B 122 -1.468 -5.742 9.550 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.594 -6.796 10.871 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -3.228 -4.262 9.233 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -4.722 -4.561 10.099 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -3.390 -4.605 12.263 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -1.968 -4.146 11.347 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -3.375 -2.223 10.350 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -4.612 -2.619 11.526 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -3.219 -1.940 13.373 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -1.785 -1.877 12.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -2.318 0.299 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.334 -0.181 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.971 0.035 12.601 1.00 0.00 H new ATOM 2195 N LYS B 123 -5.488 -7.538 9.464 1.00 0.00 N ATOM 2196 CA LYS B 123 -6.736 -7.943 8.813 1.00 0.00 C ATOM 2197 C LYS B 123 -7.403 -6.831 7.990 1.00 0.00 C ATOM 2198 O LYS B 123 -7.362 -5.673 8.395 1.00 0.00 O ATOM 2199 CB LYS B 123 -7.723 -8.407 9.907 1.00 0.00 C ATOM 2200 CG LYS B 123 -8.053 -7.338 10.974 1.00 0.00 C ATOM 2201 CD LYS B 123 -9.268 -6.444 10.640 1.00 0.00 C ATOM 2202 CE LYS B 123 -9.090 -5.011 11.177 1.00 0.00 C ATOM 2203 NZ LYS B 123 -8.136 -4.214 10.367 1.00 0.00 N ATOM 0 H LYS B 123 -5.424 -7.891 10.419 1.00 0.00 H new ATOM 0 HA LYS B 123 -6.485 -8.739 8.112 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -8.651 -8.723 9.430 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.306 -9.282 10.406 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -8.238 -7.838 11.924 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -7.179 -6.702 11.114 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -9.410 -6.412 9.560 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -10.170 -6.883 11.067 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -10.057 -4.509 11.191 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -8.739 -5.054 12.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -8.459 -3.226 10.322 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -7.194 -4.250 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -8.086 -4.606 9.405 1.00 0.00 H new ATOM 2217 N LEU B 124 -8.130 -7.203 6.938 1.00 0.00 N ATOM 2218 CA LEU B 124 -9.243 -6.421 6.392 1.00 0.00 C ATOM 2219 C LEU B 124 -10.416 -7.376 6.137 1.00 0.00 C ATOM 2220 O LEU B 124 -10.300 -8.306 5.344 1.00 0.00 O ATOM 2221 CB LEU B 124 -8.823 -5.687 5.113 1.00 0.00 C ATOM 2222 CG LEU B 124 -9.589 -4.370 4.888 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -8.957 -3.655 3.702 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -11.087 -4.538 4.623 1.00 0.00 C ATOM 0 H LEU B 124 -7.961 -8.071 6.431 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.547 -5.653 7.104 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -7.755 -5.475 5.158 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -8.982 -6.343 4.257 1.00 0.00 H new ATOM 0 HG LEU B 124 -9.513 -3.801 5.814 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -9.482 -2.717 3.521 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -7.909 -3.448 3.918 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -9.027 -4.287 2.817 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -11.543 -3.559 4.477 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -11.233 -5.143 3.728 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -11.554 -5.032 5.475 1.00 0.00 H new ATOM 2236 N TYR B 125 -11.543 -7.168 6.815 1.00 0.00 N ATOM 2237 CA TYR B 125 -12.730 -8.030 6.742 1.00 0.00 C ATOM 2238 C TYR B 125 -13.496 -7.986 5.393 1.00 0.00 C ATOM 2239 O TYR B 125 -14.633 -8.438 5.322 1.00 0.00 O ATOM 2240 CB TYR B 125 -13.631 -7.687 7.942 1.00 0.00 C ATOM 2241 CG TYR B 125 -13.855 -6.198 8.155 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -14.488 -5.433 7.158 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.301 -5.557 9.282 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -14.491 -4.034 7.249 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.346 -4.156 9.387 1.00 0.00 C ATOM 2246 CZ TYR B 125 -13.949 -3.400 8.373 1.00 0.00 C ATOM 2247 OH TYR B 125 -13.983 -2.048 8.449 1.00 0.00 O ATOM 0 H TYR B 125 -11.663 -6.377 7.447 1.00 0.00 H new ATOM 0 HA TYR B 125 -12.395 -9.066 6.791 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -14.598 -8.171 7.805 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -13.189 -8.108 8.845 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -14.970 -5.922 6.325 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -12.842 -6.143 10.065 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -14.913 -3.444 6.449 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -12.917 -3.664 10.247 1.00 0.00 H new ATOM 0 HH TYR B 125 -13.722 -1.764 9.350 1.00 0.00 H new ATOM 2257 N ARG B 126 -12.893 -7.448 4.328 1.00 0.00 N ATOM 2258 CA ARG B 126 -13.413 -7.402 2.955 1.00 0.00 C ATOM 2259 C ARG B 126 -14.638 -6.493 2.721 1.00 0.00 C ATOM 2260 O ARG B 126 -14.648 -5.739 1.756 1.00 0.00 O ATOM 2261 CB ARG B 126 -13.656 -8.821 2.403 1.00 0.00 C ATOM 2262 CG ARG B 126 -12.422 -9.742 2.424 1.00 0.00 C ATOM 2263 CD ARG B 126 -11.537 -9.594 1.178 1.00 0.00 C ATOM 2264 NE ARG B 126 -10.915 -8.258 1.076 1.00 0.00 N ATOM 2265 CZ ARG B 126 -9.782 -7.849 1.653 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -9.095 -8.631 2.458 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -9.310 -6.638 1.443 1.00 0.00 N ATOM 0 H ARG B 126 -11.976 -7.007 4.404 1.00 0.00 H new ATOM 0 HA ARG B 126 -12.617 -6.919 2.389 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -14.452 -9.290 2.982 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -14.014 -8.740 1.377 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -11.828 -9.523 3.312 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -12.751 -10.778 2.507 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -10.755 -10.353 1.200 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -12.137 -9.780 0.287 1.00 0.00 H new ATOM 0 HE ARG B 126 -11.405 -7.572 0.502 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -9.425 -9.576 2.655 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -8.233 -8.292 2.885 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -9.811 -5.994 0.831 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -8.443 -6.343 1.893 1.00 0.00 H new