USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 961 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 100 TYR OH : rot 180:sc= -0.096 USER MOD Set 1.2: A 104 MET CE :methyl 174:sc= -2.04 (180deg=-2.16) USER MOD Set 2.1: A 78 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.153) USER MOD Set 2.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 58 ASN : amide:sc= -2.51! K(o=-2.6!,f=-1.1) USER MOD Set 3.2: A 60 LYS NZ :NH3+ -138:sc= -0.0806 (180deg=-0.841) USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000209) USER MOD Single : A 14 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-3.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00328 K(o=-0.0033,f=-1.2) USER MOD Single : A 31 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-3.3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 150:sc= -1.74 USER MOD Single : A 42 TYR OH : rot 0:sc=-0.00227 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 55 GLN : amide:sc= -3.08! K(o=-3.1!,f=-1.8) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 62 CYS SG : rot -56:sc= 0.998 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0659 X(o=-0.066,f=-0.16) USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.108) USER MOD Single : A 76 CYS SG : rot 5:sc= 0.618 USER MOD Single : A 83 SER OG : rot 180:sc= -2.32 USER MOD Single : A 87 MET CE :methyl 180:sc= -1.15 (180deg=-1.15) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -130:sc= -0.541 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 98 GLN : amide:sc= -1.04 K(o=-1,f=-2!) USER MOD Single : A 99 GLN : amide:sc=-0.00107 X(o=-0.0011,f=0) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 50:sc= 0.201 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 138:sc= -2.61 (180deg=-6.83!) USER MOD Single : A 119 SER OG : rot 180:sc= 0.00515 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.1!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 16.106 -2.949 9.337 1.00 0.00 N ATOM 67 CA ILE A 8 14.787 -2.340 9.222 1.00 0.00 C ATOM 68 C ILE A 8 13.943 -3.050 8.170 1.00 0.00 C ATOM 69 O ILE A 8 14.341 -3.197 7.014 1.00 0.00 O ATOM 70 CB ILE A 8 14.887 -0.846 8.861 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.509 -0.059 10.017 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.513 -0.292 8.514 1.00 0.00 C ATOM 73 CD1 ILE A 8 14.496 0.435 11.025 1.00 0.00 C ATOM 0 HA ILE A 8 14.308 -2.439 10.196 1.00 0.00 H new ATOM 0 HB ILE A 8 15.531 -0.741 7.988 1.00 0.00 H new ATOM 0 HG12 ILE A 8 16.237 -0.691 10.526 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.054 0.794 9.613 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.600 0.765 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.106 -0.837 7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.848 -0.407 9.370 1.00 0.00 H new ATOM 0 HD11 ILE A 8 15.007 0.984 11.816 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.781 1.093 10.530 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.968 -0.415 11.457 1.00 0.00 H new ATOM 85 N PRO A 9 12.747 -3.502 8.578 1.00 0.00 N ATOM 86 CA PRO A 9 11.820 -4.203 7.685 1.00 0.00 C ATOM 87 C PRO A 9 11.221 -3.279 6.630 1.00 0.00 C ATOM 88 O PRO A 9 10.287 -2.529 6.908 1.00 0.00 O ATOM 89 CB PRO A 9 10.730 -4.710 8.632 1.00 0.00 C ATOM 90 CG PRO A 9 10.770 -3.774 9.791 1.00 0.00 C ATOM 91 CD PRO A 9 12.209 -3.363 9.941 1.00 0.00 C ATOM 0 HA PRO A 9 12.316 -4.993 7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.752 -4.702 8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.923 -5.736 8.945 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.133 -2.907 9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.406 -4.259 10.697 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.299 -2.340 10.306 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.738 -4.002 10.649 1.00 0.00 H new ATOM 99 N GLU A 10 11.765 -3.340 5.418 1.00 0.00 N ATOM 100 CA GLU A 10 11.284 -2.508 4.322 1.00 0.00 C ATOM 101 C GLU A 10 10.799 -3.368 3.158 1.00 0.00 C ATOM 102 O GLU A 10 11.372 -4.419 2.868 1.00 0.00 O ATOM 103 CB GLU A 10 12.389 -1.562 3.847 1.00 0.00 C ATOM 104 CG GLU A 10 12.593 -0.360 4.754 1.00 0.00 C ATOM 105 CD GLU A 10 14.011 0.176 4.702 1.00 0.00 C ATOM 106 OE1 GLU A 10 14.310 0.972 3.787 1.00 0.00 O ATOM 107 OE2 GLU A 10 14.820 -0.201 5.574 1.00 0.00 O ATOM 0 H GLU A 10 12.539 -3.957 5.171 1.00 0.00 H new ATOM 0 HA GLU A 10 10.444 -1.918 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.325 -2.116 3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.149 -1.212 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.899 0.430 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.351 -0.638 5.780 1.00 0.00 H new ATOM 114 N LEU A 11 9.742 -2.913 2.495 1.00 0.00 N ATOM 115 CA LEU A 11 9.179 -3.640 1.363 1.00 0.00 C ATOM 116 C LEU A 11 9.448 -2.904 0.054 1.00 0.00 C ATOM 117 O LEU A 11 9.279 -1.687 -0.032 1.00 0.00 O ATOM 118 CB LEU A 11 7.673 -3.832 1.552 1.00 0.00 C ATOM 119 CG LEU A 11 7.244 -5.122 2.254 1.00 0.00 C ATOM 120 CD1 LEU A 11 5.949 -4.906 3.022 1.00 0.00 C ATOM 121 CD2 LEU A 11 7.086 -6.250 1.245 1.00 0.00 C ATOM 0 H LEU A 11 9.258 -2.044 2.722 1.00 0.00 H new ATOM 0 HA LEU A 11 9.661 -4.617 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.288 -2.986 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.197 -3.800 0.572 1.00 0.00 H new ATOM 0 HG LEU A 11 8.021 -5.403 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.659 -5.834 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.096 -4.128 3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.163 -4.601 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.781 -7.160 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.328 -5.978 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.036 -6.421 0.739 1.00 0.00 H new ATOM 133 N LYS A 12 9.866 -3.649 -0.963 1.00 0.00 N ATOM 134 CA LYS A 12 10.156 -3.068 -2.269 1.00 0.00 C ATOM 135 C LYS A 12 9.271 -3.686 -3.347 1.00 0.00 C ATOM 136 O LYS A 12 9.440 -4.850 -3.710 1.00 0.00 O ATOM 137 CB LYS A 12 11.630 -3.273 -2.625 1.00 0.00 C ATOM 138 CG LYS A 12 12.589 -2.646 -1.628 1.00 0.00 C ATOM 139 CD LYS A 12 12.901 -1.202 -1.986 1.00 0.00 C ATOM 140 CE LYS A 12 13.382 -0.419 -0.775 1.00 0.00 C ATOM 141 NZ LYS A 12 14.690 -0.923 -0.271 1.00 0.00 N ATOM 0 H LYS A 12 10.012 -4.657 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 12 9.946 -2.000 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.834 -4.342 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.819 -2.852 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.156 -2.689 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.514 -3.223 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.664 -1.176 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.010 -0.727 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.476 0.635 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.638 -0.484 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.991 -0.352 0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.590 -1.917 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.403 -0.853 -1.025 1.00 0.00 H new ATOM 155 N ASP A 13 8.329 -2.899 -3.856 1.00 0.00 N ATOM 156 CA ASP A 13 7.420 -3.369 -4.895 1.00 0.00 C ATOM 157 C ASP A 13 6.523 -2.236 -5.384 1.00 0.00 C ATOM 158 O ASP A 13 6.089 -1.391 -4.601 1.00 0.00 O ATOM 159 CB ASP A 13 6.564 -4.523 -4.370 1.00 0.00 C ATOM 160 CG ASP A 13 7.206 -5.875 -4.610 1.00 0.00 C ATOM 161 OD1 ASP A 13 7.675 -6.116 -5.742 1.00 0.00 O ATOM 162 OD2 ASP A 13 7.238 -6.693 -3.667 1.00 0.00 O ATOM 0 H ASP A 13 8.175 -1.933 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 13 8.018 -3.724 -5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.394 -4.389 -3.302 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.588 -4.497 -4.854 1.00 0.00 H new ATOM 167 N HIS A 14 6.251 -2.223 -6.685 1.00 0.00 N ATOM 168 CA HIS A 14 5.406 -1.194 -7.280 1.00 0.00 C ATOM 169 C HIS A 14 3.991 -1.717 -7.508 1.00 0.00 C ATOM 170 O HIS A 14 3.770 -2.594 -8.344 1.00 0.00 O ATOM 171 CB HIS A 14 6.005 -0.714 -8.602 1.00 0.00 C ATOM 172 CG HIS A 14 5.031 0.026 -9.467 1.00 0.00 C ATOM 173 ND1 HIS A 14 4.511 -0.498 -10.632 1.00 0.00 N ATOM 174 CD2 HIS A 14 4.481 1.255 -9.331 1.00 0.00 C ATOM 175 CE1 HIS A 14 3.685 0.378 -11.176 1.00 0.00 C ATOM 176 NE2 HIS A 14 3.649 1.450 -10.405 1.00 0.00 N ATOM 0 H HIS A 14 6.604 -2.914 -7.347 1.00 0.00 H new ATOM 0 HA HIS A 14 5.356 -0.354 -6.587 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.856 -0.067 -8.392 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.387 -1.574 -9.152 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.663 1.953 -8.527 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.133 0.241 -12.094 1.00 0.00 H new ATOM 0 HE2 HIS A 14 3.093 2.287 -10.580 1.00 0.00 H new ATOM 185 N LEU A 15 3.037 -1.174 -6.760 1.00 0.00 N ATOM 186 CA LEU A 15 1.643 -1.586 -6.881 1.00 0.00 C ATOM 187 C LEU A 15 0.921 -0.762 -7.942 1.00 0.00 C ATOM 188 O LEU A 15 1.533 0.054 -8.631 1.00 0.00 O ATOM 189 CB LEU A 15 0.930 -1.442 -5.535 1.00 0.00 C ATOM 190 CG LEU A 15 1.593 -2.140 -4.346 1.00 0.00 C ATOM 191 CD1 LEU A 15 1.279 -1.405 -3.053 1.00 0.00 C ATOM 192 CD2 LEU A 15 1.142 -3.591 -4.260 1.00 0.00 C ATOM 0 H LEU A 15 3.203 -0.448 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 15 1.624 -2.632 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.842 -0.380 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.083 -1.830 -5.640 1.00 0.00 H new ATOM 0 HG LEU A 15 2.673 -2.124 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.759 -1.916 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.652 -0.383 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.200 -1.389 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.624 -4.072 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.060 -3.629 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.419 -4.113 -5.176 1.00 0.00 H new ATOM 204 N ARG A 16 -0.384 -0.979 -8.066 1.00 0.00 N ATOM 205 CA ARG A 16 -1.190 -0.256 -9.042 1.00 0.00 C ATOM 206 C ARG A 16 -1.587 1.118 -8.509 1.00 0.00 C ATOM 207 O ARG A 16 -2.313 1.224 -7.520 1.00 0.00 O ATOM 208 CB ARG A 16 -2.443 -1.059 -9.396 1.00 0.00 C ATOM 209 CG ARG A 16 -2.158 -2.292 -10.237 1.00 0.00 C ATOM 210 CD ARG A 16 -3.405 -2.771 -10.965 1.00 0.00 C ATOM 211 NE ARG A 16 -3.157 -3.988 -11.733 1.00 0.00 N ATOM 212 CZ ARG A 16 -3.994 -4.461 -12.650 1.00 0.00 C ATOM 213 NH1 ARG A 16 -5.126 -3.823 -12.912 1.00 0.00 N ATOM 214 NH2 ARG A 16 -3.698 -5.575 -13.307 1.00 0.00 N ATOM 0 H ARG A 16 -0.906 -1.650 -7.502 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.589 -0.118 -9.941 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.941 -1.364 -8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.137 -0.414 -9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.376 -2.066 -10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.779 -3.090 -9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.199 -2.955 -10.241 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.758 -1.986 -11.634 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.294 -4.503 -11.556 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.357 -2.966 -12.409 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.766 -4.189 -13.617 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.828 -6.068 -13.108 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.341 -5.938 -14.011 1.00 0.00 H new ATOM 228 N ILE A 17 -1.105 2.165 -9.169 1.00 0.00 N ATOM 229 CA ILE A 17 -1.410 3.531 -8.762 1.00 0.00 C ATOM 230 C ILE A 17 -2.179 4.271 -9.851 1.00 0.00 C ATOM 231 O ILE A 17 -1.743 4.332 -11.001 1.00 0.00 O ATOM 232 CB ILE A 17 -0.129 4.318 -8.428 1.00 0.00 C ATOM 233 CG1 ILE A 17 0.452 3.847 -7.094 1.00 0.00 C ATOM 234 CG2 ILE A 17 -0.421 5.811 -8.387 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.677 4.621 -6.661 1.00 0.00 C ATOM 0 H ILE A 17 -0.501 2.094 -9.988 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.028 3.463 -7.867 1.00 0.00 H new ATOM 0 HB ILE A 17 0.608 4.132 -9.209 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.314 3.933 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.709 2.790 -7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.494 6.354 -8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.794 6.136 -9.358 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.172 6.014 -7.623 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.035 4.233 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.459 4.514 -7.413 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.421 5.675 -6.551 1.00 0.00 H new ATOM 247 N PHE A 18 -3.324 4.834 -9.481 1.00 0.00 N ATOM 248 CA PHE A 18 -4.154 5.571 -10.427 1.00 0.00 C ATOM 249 C PHE A 18 -4.950 6.663 -9.716 1.00 0.00 C ATOM 250 O PHE A 18 -5.557 6.423 -8.673 1.00 0.00 O ATOM 251 CB PHE A 18 -5.108 4.619 -11.152 1.00 0.00 C ATOM 252 CG PHE A 18 -6.075 5.319 -12.063 1.00 0.00 C ATOM 253 CD1 PHE A 18 -5.621 6.198 -13.033 1.00 0.00 C ATOM 254 CD2 PHE A 18 -7.438 5.098 -11.950 1.00 0.00 C ATOM 255 CE1 PHE A 18 -6.508 6.843 -13.874 1.00 0.00 C ATOM 256 CE2 PHE A 18 -8.330 5.740 -12.788 1.00 0.00 C ATOM 257 CZ PHE A 18 -7.865 6.614 -13.751 1.00 0.00 C ATOM 0 H PHE A 18 -3.699 4.794 -8.533 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.497 6.042 -11.158 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.524 3.906 -11.734 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.667 4.045 -10.413 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.561 6.381 -13.133 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.808 4.416 -11.198 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.141 7.525 -14.626 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.390 5.558 -12.690 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.560 7.117 -14.406 1.00 0.00 H new ATOM 267 N ARG A 19 -4.940 7.862 -10.289 1.00 0.00 N ATOM 268 CA ARG A 19 -5.658 8.991 -9.710 1.00 0.00 C ATOM 269 C ARG A 19 -6.527 9.678 -10.760 1.00 0.00 C ATOM 270 O ARG A 19 -6.139 10.676 -11.366 1.00 0.00 O ATOM 271 CB ARG A 19 -4.673 9.996 -9.111 1.00 0.00 C ATOM 272 CG ARG A 19 -3.919 9.464 -7.904 1.00 0.00 C ATOM 273 CD ARG A 19 -2.623 10.226 -7.677 1.00 0.00 C ATOM 274 NE ARG A 19 -1.732 10.147 -8.831 1.00 0.00 N ATOM 275 CZ ARG A 19 -0.451 10.498 -8.797 1.00 0.00 C ATOM 276 NH1 ARG A 19 0.086 10.950 -7.672 1.00 0.00 N ATOM 277 NH2 ARG A 19 0.295 10.397 -9.890 1.00 0.00 N ATOM 0 H ARG A 19 -4.443 8.077 -11.153 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.305 8.611 -8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.955 10.289 -9.877 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.216 10.896 -8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.548 9.542 -7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.700 8.406 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.849 11.271 -7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.116 9.825 -6.799 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.114 9.803 -9.712 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.485 11.029 -6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.070 11.219 -7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.115 10.050 -10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.278 10.667 -9.863 1.00 0.00 H new ATOM 291 N PRO A 20 -7.732 9.131 -10.981 1.00 0.00 N ATOM 292 CA PRO A 20 -8.681 9.675 -11.957 1.00 0.00 C ATOM 293 C PRO A 20 -9.261 11.015 -11.517 1.00 0.00 C ATOM 294 O PRO A 20 -9.622 11.848 -12.348 1.00 0.00 O ATOM 295 CB PRO A 20 -9.780 8.610 -12.015 1.00 0.00 C ATOM 296 CG PRO A 20 -9.710 7.922 -10.695 1.00 0.00 C ATOM 297 CD PRO A 20 -8.261 7.940 -10.294 1.00 0.00 C ATOM 0 HA PRO A 20 -8.208 9.872 -12.919 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.760 9.060 -12.175 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.612 7.912 -12.835 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.326 8.434 -9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.082 6.900 -10.768 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.144 8.015 -9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.746 7.032 -10.609 1.00 0.00 H new ATOM 432 N TYR A 28 -2.463 3.829 -15.346 1.00 0.00 N ATOM 433 CA TYR A 28 -1.322 3.401 -14.544 1.00 0.00 C ATOM 434 C TYR A 28 -0.031 3.469 -15.355 1.00 0.00 C ATOM 435 O TYR A 28 -0.038 3.277 -16.571 1.00 0.00 O ATOM 436 CB TYR A 28 -1.540 1.977 -14.029 1.00 0.00 C ATOM 437 CG TYR A 28 -2.825 1.805 -13.250 1.00 0.00 C ATOM 438 CD1 TYR A 28 -4.032 1.589 -13.903 1.00 0.00 C ATOM 439 CD2 TYR A 28 -2.831 1.857 -11.862 1.00 0.00 C ATOM 440 CE1 TYR A 28 -5.208 1.432 -13.196 1.00 0.00 C ATOM 441 CE2 TYR A 28 -4.002 1.700 -11.146 1.00 0.00 C ATOM 442 CZ TYR A 28 -5.188 1.488 -11.818 1.00 0.00 C ATOM 443 OH TYR A 28 -6.357 1.330 -11.110 1.00 0.00 O ATOM 0 HA TYR A 28 -1.232 4.078 -13.694 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.543 1.290 -14.875 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.700 1.697 -13.394 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.051 1.543 -14.982 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.904 2.023 -11.333 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.138 1.266 -13.719 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.989 1.743 -10.067 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.170 1.395 -10.150 1.00 0.00 H new ATOM 453 N ARG A 29 1.075 3.742 -14.671 1.00 0.00 N ATOM 454 CA ARG A 29 2.374 3.836 -15.325 1.00 0.00 C ATOM 455 C ARG A 29 3.446 3.115 -14.513 1.00 0.00 C ATOM 456 O ARG A 29 3.272 2.869 -13.320 1.00 0.00 O ATOM 457 CB ARG A 29 2.767 5.302 -15.519 1.00 0.00 C ATOM 458 CG ARG A 29 2.271 5.897 -16.827 1.00 0.00 C ATOM 459 CD ARG A 29 3.187 7.008 -17.316 1.00 0.00 C ATOM 460 NE ARG A 29 4.473 6.493 -17.779 1.00 0.00 N ATOM 461 CZ ARG A 29 4.637 5.857 -18.934 1.00 0.00 C ATOM 462 NH1 ARG A 29 3.602 5.660 -19.739 1.00 0.00 N ATOM 463 NH2 ARG A 29 5.838 5.418 -19.286 1.00 0.00 N ATOM 0 H ARG A 29 1.097 3.902 -13.664 1.00 0.00 H new ATOM 0 HA ARG A 29 2.296 3.355 -16.300 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.371 5.888 -14.690 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.853 5.387 -15.480 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.210 5.115 -17.584 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.263 6.288 -16.691 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.700 7.549 -18.127 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.352 7.723 -16.510 1.00 0.00 H new ATOM 0 HE ARG A 29 5.290 6.629 -17.183 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.677 5.997 -19.472 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.731 5.171 -20.625 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.637 5.568 -18.670 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.963 4.930 -20.173 1.00 0.00 H new ATOM 477 N GLN A 30 4.552 2.779 -15.168 1.00 0.00 N ATOM 478 CA GLN A 30 5.651 2.085 -14.507 1.00 0.00 C ATOM 479 C GLN A 30 6.364 3.008 -13.524 1.00 0.00 C ATOM 480 O GLN A 30 7.271 3.750 -13.900 1.00 0.00 O ATOM 481 CB GLN A 30 6.645 1.556 -15.542 1.00 0.00 C ATOM 482 CG GLN A 30 7.646 0.564 -14.972 1.00 0.00 C ATOM 483 CD GLN A 30 8.340 -0.248 -16.048 1.00 0.00 C ATOM 484 OE1 GLN A 30 8.129 -0.027 -17.241 1.00 0.00 O ATOM 485 NE2 GLN A 30 9.174 -1.194 -15.632 1.00 0.00 N ATOM 0 H GLN A 30 4.711 2.976 -16.156 1.00 0.00 H new ATOM 0 HA GLN A 30 5.235 1.244 -13.952 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.094 1.078 -16.352 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.186 2.396 -15.977 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.394 1.102 -14.389 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.133 -0.111 -14.287 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.319 -1.343 -14.633 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.670 -1.772 -16.311 1.00 0.00 H new ATOM 494 N HIS A 31 5.948 2.956 -12.262 1.00 0.00 N ATOM 495 CA HIS A 31 6.548 3.787 -11.225 1.00 0.00 C ATOM 496 C HIS A 31 7.169 2.925 -10.129 1.00 0.00 C ATOM 497 O HIS A 31 6.963 1.712 -10.089 1.00 0.00 O ATOM 498 CB HIS A 31 5.500 4.722 -10.621 1.00 0.00 C ATOM 499 CG HIS A 31 4.842 5.614 -11.629 1.00 0.00 C ATOM 500 ND1 HIS A 31 3.672 6.299 -11.377 1.00 0.00 N ATOM 501 CD2 HIS A 31 5.199 5.933 -12.895 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.336 7.000 -12.446 1.00 0.00 C ATOM 503 NE2 HIS A 31 4.247 6.795 -13.381 1.00 0.00 N ATOM 0 H HIS A 31 5.198 2.347 -11.934 1.00 0.00 H new ATOM 0 HA HIS A 31 7.336 4.384 -11.684 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.736 4.125 -10.123 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.972 5.338 -9.856 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.070 5.576 -13.424 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.465 7.632 -12.539 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.244 7.210 -14.313 1.00 0.00 H new ATOM 512 N TRP A 32 7.929 3.559 -9.244 1.00 0.00 N ATOM 513 CA TRP A 32 8.580 2.850 -8.149 1.00 0.00 C ATOM 514 C TRP A 32 7.945 3.213 -6.811 1.00 0.00 C ATOM 515 O TRP A 32 7.635 4.376 -6.555 1.00 0.00 O ATOM 516 CB TRP A 32 10.075 3.173 -8.122 1.00 0.00 C ATOM 517 CG TRP A 32 10.821 2.445 -7.045 1.00 0.00 C ATOM 518 CD1 TRP A 32 11.594 2.999 -6.065 1.00 0.00 C ATOM 519 CD2 TRP A 32 10.866 1.028 -6.841 1.00 0.00 C ATOM 520 NE1 TRP A 32 12.117 2.012 -5.264 1.00 0.00 N ATOM 521 CE2 TRP A 32 11.684 0.795 -5.719 1.00 0.00 C ATOM 522 CE3 TRP A 32 10.293 -0.065 -7.496 1.00 0.00 C ATOM 523 CZ2 TRP A 32 11.943 -0.487 -5.240 1.00 0.00 C ATOM 524 CZ3 TRP A 32 10.551 -1.337 -7.020 1.00 0.00 C ATOM 525 CH2 TRP A 32 11.369 -1.539 -5.901 1.00 0.00 C ATOM 0 H TRP A 32 8.110 4.563 -9.263 1.00 0.00 H new ATOM 0 HA TRP A 32 8.449 1.780 -8.314 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.511 2.922 -9.089 1.00 0.00 H new ATOM 0 HB3 TRP A 32 10.205 4.246 -7.982 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.769 4.057 -5.938 1.00 0.00 H new ATOM 0 HE1 TRP A 32 12.728 2.162 -4.461 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.660 0.081 -8.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.574 -0.645 -4.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 10.114 -2.189 -7.519 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.550 -2.545 -5.553 1.00 0.00 H new ATOM 536 N VAL A 33 7.754 2.210 -5.960 1.00 0.00 N ATOM 537 CA VAL A 33 7.157 2.424 -4.647 1.00 0.00 C ATOM 538 C VAL A 33 7.985 1.763 -3.552 1.00 0.00 C ATOM 539 O VAL A 33 8.659 0.760 -3.788 1.00 0.00 O ATOM 540 CB VAL A 33 5.718 1.877 -4.589 1.00 0.00 C ATOM 541 CG1 VAL A 33 5.052 2.264 -3.277 1.00 0.00 C ATOM 542 CG2 VAL A 33 4.909 2.379 -5.776 1.00 0.00 C ATOM 0 H VAL A 33 8.004 1.241 -6.156 1.00 0.00 H new ATOM 0 HA VAL A 33 7.135 3.501 -4.481 1.00 0.00 H new ATOM 0 HB VAL A 33 5.759 0.789 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.036 1.869 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.621 1.851 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.021 3.350 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.895 1.983 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.874 3.468 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.377 2.046 -6.702 1.00 0.00 H new ATOM 552 N VAL A 34 7.930 2.331 -2.351 1.00 0.00 N ATOM 553 CA VAL A 34 8.674 1.795 -1.217 1.00 0.00 C ATOM 554 C VAL A 34 7.905 1.987 0.085 1.00 0.00 C ATOM 555 O VAL A 34 7.552 3.108 0.450 1.00 0.00 O ATOM 556 CB VAL A 34 10.056 2.463 -1.087 1.00 0.00 C ATOM 557 CG1 VAL A 34 10.822 1.881 0.091 1.00 0.00 C ATOM 558 CG2 VAL A 34 10.847 2.306 -2.377 1.00 0.00 C ATOM 0 H VAL A 34 7.378 3.162 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 34 8.809 0.729 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 34 9.910 3.528 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.796 2.365 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.260 2.050 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.960 0.810 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.821 2.784 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.985 1.246 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.303 2.775 -3.197 1.00 0.00 H new ATOM 568 N PHE A 35 7.648 0.885 0.781 1.00 0.00 N ATOM 569 CA PHE A 35 6.920 0.931 2.044 1.00 0.00 C ATOM 570 C PHE A 35 7.883 0.977 3.226 1.00 0.00 C ATOM 571 O PHE A 35 8.688 0.066 3.423 1.00 0.00 O ATOM 572 CB PHE A 35 5.998 -0.284 2.170 1.00 0.00 C ATOM 573 CG PHE A 35 5.461 -0.488 3.558 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.753 0.518 4.195 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.666 -1.685 4.225 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.257 0.333 5.472 1.00 0.00 C ATOM 577 CE2 PHE A 35 5.172 -1.875 5.502 1.00 0.00 C ATOM 578 CZ PHE A 35 4.468 -0.865 6.127 1.00 0.00 C ATOM 0 H PHE A 35 7.933 -0.051 0.492 1.00 0.00 H new ATOM 0 HA PHE A 35 6.317 1.839 2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.163 -0.169 1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.543 -1.177 1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.587 1.457 3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.218 -2.478 3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.705 1.124 5.957 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.337 -2.813 6.011 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.083 -1.011 7.125 1.00 0.00 H new ATOM 588 N LYS A 36 7.795 2.046 4.012 1.00 0.00 N ATOM 589 CA LYS A 36 8.657 2.213 5.176 1.00 0.00 C ATOM 590 C LYS A 36 7.890 1.938 6.465 1.00 0.00 C ATOM 591 O LYS A 36 6.663 2.031 6.499 1.00 0.00 O ATOM 592 CB LYS A 36 9.237 3.629 5.207 1.00 0.00 C ATOM 593 CG LYS A 36 10.179 3.875 6.373 1.00 0.00 C ATOM 594 CD LYS A 36 11.444 3.041 6.253 1.00 0.00 C ATOM 595 CE LYS A 36 12.633 3.737 6.899 1.00 0.00 C ATOM 596 NZ LYS A 36 13.927 3.257 6.339 1.00 0.00 N ATOM 0 H LYS A 36 7.135 2.809 3.863 1.00 0.00 H new ATOM 0 HA LYS A 36 9.473 1.494 5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.770 3.815 4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.418 4.347 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.441 4.932 6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.672 3.637 7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.288 2.071 6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.659 2.853 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.549 4.813 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.616 3.563 7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.713 3.755 6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.019 2.234 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.954 3.446 5.317 1.00 0.00 H new ATOM 610 N GLU A 37 8.621 1.600 7.523 1.00 0.00 N ATOM 611 CA GLU A 37 8.007 1.313 8.814 1.00 0.00 C ATOM 612 C GLU A 37 6.763 2.170 9.028 1.00 0.00 C ATOM 613 O GLU A 37 5.636 1.675 8.970 1.00 0.00 O ATOM 614 CB GLU A 37 9.009 1.557 9.945 1.00 0.00 C ATOM 615 CG GLU A 37 10.268 0.714 9.835 1.00 0.00 C ATOM 616 CD GLU A 37 11.308 1.080 10.876 1.00 0.00 C ATOM 617 OE1 GLU A 37 11.895 2.177 10.767 1.00 0.00 O ATOM 618 OE2 GLU A 37 11.534 0.271 11.800 1.00 0.00 O ATOM 0 H GLU A 37 9.638 1.518 7.511 1.00 0.00 H new ATOM 0 HA GLU A 37 7.710 0.264 8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.287 2.611 9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.525 1.349 10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.006 -0.339 9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.697 0.836 8.840 1.00 0.00 H new ATOM 625 N THR A 38 6.974 3.459 9.276 1.00 0.00 N ATOM 626 CA THR A 38 5.872 4.385 9.501 1.00 0.00 C ATOM 627 C THR A 38 5.839 5.470 8.431 1.00 0.00 C ATOM 628 O THR A 38 5.282 6.548 8.641 1.00 0.00 O ATOM 629 CB THR A 38 5.970 5.049 10.887 1.00 0.00 C ATOM 630 OG1 THR A 38 7.344 5.213 11.256 1.00 0.00 O ATOM 631 CG2 THR A 38 5.253 4.216 11.939 1.00 0.00 C ATOM 0 H THR A 38 7.899 3.885 9.326 1.00 0.00 H new ATOM 0 HA THR A 38 4.953 3.801 9.451 1.00 0.00 H new ATOM 0 HB THR A 38 5.490 6.026 10.831 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.398 5.637 12.138 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.336 4.705 12.909 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.201 4.118 11.671 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.707 3.227 11.992 1.00 0.00 H new ATOM 639 N THR A 39 6.438 5.179 7.280 1.00 0.00 N ATOM 640 CA THR A 39 6.477 6.130 6.177 1.00 0.00 C ATOM 641 C THR A 39 6.253 5.432 4.841 1.00 0.00 C ATOM 642 O THR A 39 6.294 4.203 4.756 1.00 0.00 O ATOM 643 CB THR A 39 7.821 6.882 6.132 1.00 0.00 C ATOM 644 OG1 THR A 39 8.353 7.016 7.454 1.00 0.00 O ATOM 645 CG2 THR A 39 7.649 8.259 5.507 1.00 0.00 C ATOM 0 H THR A 39 6.903 4.292 7.088 1.00 0.00 H new ATOM 0 HA THR A 39 5.673 6.846 6.348 1.00 0.00 H new ATOM 0 HB THR A 39 8.514 6.306 5.519 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.208 7.494 7.416 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.611 8.772 5.486 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.272 8.152 4.490 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.941 8.841 6.097 1.00 0.00 H new ATOM 653 N LEU A 40 6.018 6.221 3.798 1.00 0.00 N ATOM 654 CA LEU A 40 5.788 5.678 2.464 1.00 0.00 C ATOM 655 C LEU A 40 6.038 6.736 1.395 1.00 0.00 C ATOM 656 O LEU A 40 5.578 7.872 1.511 1.00 0.00 O ATOM 657 CB LEU A 40 4.359 5.146 2.347 1.00 0.00 C ATOM 658 CG LEU A 40 4.149 3.993 1.365 1.00 0.00 C ATOM 659 CD1 LEU A 40 2.937 3.166 1.764 1.00 0.00 C ATOM 660 CD2 LEU A 40 3.992 4.523 -0.053 1.00 0.00 C ATOM 0 H LEU A 40 5.982 7.239 3.851 1.00 0.00 H new ATOM 0 HA LEU A 40 6.488 4.857 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.033 4.820 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.709 5.970 2.053 1.00 0.00 H new ATOM 0 HG LEU A 40 5.028 3.349 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.803 2.350 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.089 2.756 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.049 3.798 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.843 3.689 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.130 5.189 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.890 5.071 -0.338 1.00 0.00 H new ATOM 672 N SER A 41 6.770 6.355 0.352 1.00 0.00 N ATOM 673 CA SER A 41 7.082 7.272 -0.738 1.00 0.00 C ATOM 674 C SER A 41 7.052 6.550 -2.081 1.00 0.00 C ATOM 675 O SER A 41 7.255 5.337 -2.152 1.00 0.00 O ATOM 676 CB SER A 41 8.456 7.908 -0.519 1.00 0.00 C ATOM 677 OG SER A 41 8.527 9.189 -1.121 1.00 0.00 O ATOM 0 H SER A 41 7.158 5.418 0.239 1.00 0.00 H new ATOM 0 HA SER A 41 6.324 8.055 -0.749 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.655 7.993 0.549 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.229 7.263 -0.936 1.00 0.00 H new ATOM 0 HG SER A 41 9.145 9.755 -0.613 1.00 0.00 H new ATOM 683 N TYR A 42 6.797 7.303 -3.145 1.00 0.00 N ATOM 684 CA TYR A 42 6.737 6.736 -4.487 1.00 0.00 C ATOM 685 C TYR A 42 7.370 7.678 -5.506 1.00 0.00 C ATOM 686 O TYR A 42 7.174 8.892 -5.451 1.00 0.00 O ATOM 687 CB TYR A 42 5.287 6.445 -4.876 1.00 0.00 C ATOM 688 CG TYR A 42 4.448 7.690 -5.057 1.00 0.00 C ATOM 689 CD1 TYR A 42 4.245 8.574 -4.005 1.00 0.00 C ATOM 690 CD2 TYR A 42 3.858 7.982 -6.281 1.00 0.00 C ATOM 691 CE1 TYR A 42 3.479 9.712 -4.165 1.00 0.00 C ATOM 692 CE2 TYR A 42 3.090 9.118 -6.451 1.00 0.00 C ATOM 693 CZ TYR A 42 2.904 9.980 -5.390 1.00 0.00 C ATOM 694 OH TYR A 42 2.140 11.113 -5.554 1.00 0.00 O ATOM 0 H TYR A 42 6.628 8.308 -3.104 1.00 0.00 H new ATOM 0 HA TYR A 42 7.300 5.803 -4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.276 5.872 -5.803 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.832 5.819 -4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.694 8.368 -3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.002 7.309 -7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.331 10.388 -3.336 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.638 9.330 -7.409 1.00 0.00 H new ATOM 0 HH TYR A 42 2.108 11.611 -4.710 1.00 0.00 H new ATOM 704 N TYR A 43 8.130 7.110 -6.435 1.00 0.00 N ATOM 705 CA TYR A 43 8.794 7.898 -7.466 1.00 0.00 C ATOM 706 C TYR A 43 8.394 7.421 -8.859 1.00 0.00 C ATOM 707 O TYR A 43 7.833 6.337 -9.020 1.00 0.00 O ATOM 708 CB TYR A 43 10.313 7.814 -7.304 1.00 0.00 C ATOM 709 CG TYR A 43 10.769 7.820 -5.862 1.00 0.00 C ATOM 710 CD1 TYR A 43 10.457 6.767 -5.010 1.00 0.00 C ATOM 711 CD2 TYR A 43 11.509 8.878 -5.351 1.00 0.00 C ATOM 712 CE1 TYR A 43 10.871 6.769 -3.692 1.00 0.00 C ATOM 713 CE2 TYR A 43 11.928 8.888 -4.035 1.00 0.00 C ATOM 714 CZ TYR A 43 11.606 7.831 -3.209 1.00 0.00 C ATOM 715 OH TYR A 43 12.020 7.837 -1.897 1.00 0.00 O ATOM 0 H TYR A 43 8.302 6.106 -6.495 1.00 0.00 H new ATOM 0 HA TYR A 43 8.480 8.935 -7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.672 6.905 -7.786 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.773 8.654 -7.825 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.881 5.933 -5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.761 9.708 -5.994 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.620 5.943 -3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.504 9.718 -3.655 1.00 0.00 H new ATOM 0 HH TYR A 43 12.528 8.656 -1.718 1.00 0.00 H new ATOM 725 N LYS A 44 8.686 8.239 -9.864 1.00 0.00 N ATOM 726 CA LYS A 44 8.360 7.903 -11.245 1.00 0.00 C ATOM 727 C LYS A 44 9.298 6.825 -11.779 1.00 0.00 C ATOM 728 O LYS A 44 8.871 5.911 -12.484 1.00 0.00 O ATOM 729 CB LYS A 44 8.443 9.150 -12.129 1.00 0.00 C ATOM 730 CG LYS A 44 9.820 9.790 -12.150 1.00 0.00 C ATOM 731 CD LYS A 44 9.795 11.144 -12.838 1.00 0.00 C ATOM 732 CE LYS A 44 9.351 12.245 -11.887 1.00 0.00 C ATOM 733 NZ LYS A 44 9.762 13.593 -12.369 1.00 0.00 N ATOM 0 H LYS A 44 9.148 9.141 -9.748 1.00 0.00 H new ATOM 0 HA LYS A 44 7.341 7.517 -11.267 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.160 8.883 -13.147 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.716 9.883 -11.778 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.184 9.906 -11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.520 9.132 -12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.787 11.375 -13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.120 11.106 -13.693 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.267 12.214 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.778 12.066 -10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.441 14.316 -11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.798 13.631 -12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.334 13.774 -13.299 1.00 0.00 H new ATOM 747 N SER A 45 10.578 6.939 -11.438 1.00 0.00 N ATOM 748 CA SER A 45 11.577 5.975 -11.885 1.00 0.00 C ATOM 749 C SER A 45 12.588 5.689 -10.779 1.00 0.00 C ATOM 750 O SER A 45 12.944 6.576 -10.004 1.00 0.00 O ATOM 751 CB SER A 45 12.298 6.497 -13.129 1.00 0.00 C ATOM 752 OG SER A 45 12.870 7.771 -12.890 1.00 0.00 O ATOM 0 H SER A 45 10.947 7.689 -10.854 1.00 0.00 H new ATOM 0 HA SER A 45 11.065 5.046 -12.134 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.078 5.794 -13.423 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.596 6.560 -13.960 1.00 0.00 H new ATOM 0 HG SER A 45 13.326 8.082 -13.700 1.00 0.00 H new ATOM 758 N GLN A 46 13.047 4.443 -10.714 1.00 0.00 N ATOM 759 CA GLN A 46 14.017 4.038 -9.703 1.00 0.00 C ATOM 760 C GLN A 46 15.242 4.946 -9.731 1.00 0.00 C ATOM 761 O GLN A 46 15.754 5.346 -8.685 1.00 0.00 O ATOM 762 CB GLN A 46 14.439 2.585 -9.924 1.00 0.00 C ATOM 763 CG GLN A 46 15.089 1.948 -8.706 1.00 0.00 C ATOM 764 CD GLN A 46 15.447 0.492 -8.930 1.00 0.00 C ATOM 765 OE1 GLN A 46 15.257 -0.045 -10.021 1.00 0.00 O ATOM 766 NE2 GLN A 46 15.969 -0.155 -7.895 1.00 0.00 N ATOM 0 H GLN A 46 12.763 3.697 -11.349 1.00 0.00 H new ATOM 0 HA GLN A 46 13.544 4.126 -8.725 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.564 2.000 -10.206 1.00 0.00 H new ATOM 0 HB3 GLN A 46 15.135 2.541 -10.762 1.00 0.00 H new ATOM 0 HG2 GLN A 46 15.990 2.504 -8.447 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.412 2.025 -7.855 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.109 0.330 -7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.230 -1.137 -7.986 1.00 0.00 H new ATOM 775 N ASP A 47 15.708 5.266 -10.933 1.00 0.00 N ATOM 776 CA ASP A 47 16.873 6.127 -11.097 1.00 0.00 C ATOM 777 C ASP A 47 16.751 7.378 -10.231 1.00 0.00 C ATOM 778 O ASP A 47 17.662 7.712 -9.475 1.00 0.00 O ATOM 779 CB ASP A 47 17.040 6.522 -12.565 1.00 0.00 C ATOM 780 CG ASP A 47 17.535 5.373 -13.421 1.00 0.00 C ATOM 781 OD1 ASP A 47 18.546 4.744 -13.043 1.00 0.00 O ATOM 782 OD2 ASP A 47 16.912 5.102 -14.468 1.00 0.00 O ATOM 0 H ASP A 47 15.297 4.942 -11.808 1.00 0.00 H new ATOM 0 HA ASP A 47 17.753 5.570 -10.777 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.085 6.876 -12.954 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.741 7.353 -12.637 1.00 0.00 H new ATOM 787 N GLU A 48 15.619 8.065 -10.349 1.00 0.00 N ATOM 788 CA GLU A 48 15.379 9.279 -9.579 1.00 0.00 C ATOM 789 C GLU A 48 15.654 9.046 -8.096 1.00 0.00 C ATOM 790 O GLU A 48 16.428 9.774 -7.476 1.00 0.00 O ATOM 791 CB GLU A 48 13.938 9.757 -9.773 1.00 0.00 C ATOM 792 CG GLU A 48 13.684 10.388 -11.131 1.00 0.00 C ATOM 793 CD GLU A 48 14.137 11.833 -11.197 1.00 0.00 C ATOM 794 OE1 GLU A 48 13.673 12.639 -10.363 1.00 0.00 O ATOM 795 OE2 GLU A 48 14.955 12.160 -12.083 1.00 0.00 O ATOM 0 H GLU A 48 14.854 7.801 -10.970 1.00 0.00 H new ATOM 0 HA GLU A 48 16.061 10.049 -9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.263 8.911 -9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.696 10.481 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.204 9.813 -11.897 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.619 10.334 -11.359 1.00 0.00 H new ATOM 802 N ALA A 49 15.013 8.026 -7.535 1.00 0.00 N ATOM 803 CA ALA A 49 15.189 7.696 -6.126 1.00 0.00 C ATOM 804 C ALA A 49 16.666 7.546 -5.778 1.00 0.00 C ATOM 805 O ALA A 49 17.426 6.869 -6.471 1.00 0.00 O ATOM 806 CB ALA A 49 14.432 6.421 -5.785 1.00 0.00 C ATOM 0 H ALA A 49 14.367 7.414 -8.034 1.00 0.00 H new ATOM 0 HA ALA A 49 14.784 8.516 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.572 6.186 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.370 6.563 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.811 5.599 -6.393 1.00 0.00 H new ATOM 812 N PRO A 50 17.084 8.191 -4.679 1.00 0.00 N ATOM 813 CA PRO A 50 16.188 9.000 -3.847 1.00 0.00 C ATOM 814 C PRO A 50 15.743 10.279 -4.548 1.00 0.00 C ATOM 815 O PRO A 50 14.561 10.618 -4.550 1.00 0.00 O ATOM 816 CB PRO A 50 17.045 9.332 -2.622 1.00 0.00 C ATOM 817 CG PRO A 50 18.450 9.255 -3.111 1.00 0.00 C ATOM 818 CD PRO A 50 18.464 8.182 -4.165 1.00 0.00 C ATOM 0 HA PRO A 50 15.265 8.471 -3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.814 10.324 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.868 8.625 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 50 18.773 10.211 -3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 50 19.133 9.012 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.187 8.400 -4.951 1.00 0.00 H new ATOM 0 HD3 PRO A 50 18.731 7.211 -3.747 1.00 0.00 H new ATOM 826 N GLY A 51 16.699 10.986 -5.143 1.00 0.00 N ATOM 827 CA GLY A 51 16.385 12.219 -5.840 1.00 0.00 C ATOM 828 C GLY A 51 15.255 12.986 -5.181 1.00 0.00 C ATOM 829 O GLY A 51 15.465 13.679 -4.185 1.00 0.00 O ATOM 0 H GLY A 51 17.685 10.727 -5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.274 12.848 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.113 11.991 -6.871 1.00 0.00 H new ATOM 833 N ASP A 52 14.055 12.863 -5.737 1.00 0.00 N ATOM 834 CA ASP A 52 12.888 13.551 -5.197 1.00 0.00 C ATOM 835 C ASP A 52 11.621 12.731 -5.425 1.00 0.00 C ATOM 836 O ASP A 52 11.177 12.532 -6.555 1.00 0.00 O ATOM 837 CB ASP A 52 12.740 14.931 -5.840 1.00 0.00 C ATOM 838 CG ASP A 52 11.714 15.793 -5.130 1.00 0.00 C ATOM 839 OD1 ASP A 52 11.572 15.651 -3.898 1.00 0.00 O ATOM 840 OD2 ASP A 52 11.053 16.608 -5.807 1.00 0.00 O ATOM 0 H ASP A 52 13.865 12.293 -6.561 1.00 0.00 H new ATOM 0 HA ASP A 52 13.033 13.673 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.705 15.438 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.451 14.813 -6.884 1.00 0.00 H new ATOM 845 N PRO A 53 11.026 12.244 -4.326 1.00 0.00 N ATOM 846 CA PRO A 53 9.803 11.438 -4.380 1.00 0.00 C ATOM 847 C PRO A 53 8.586 12.258 -4.794 1.00 0.00 C ATOM 848 O PRO A 53 8.309 13.310 -4.217 1.00 0.00 O ATOM 849 CB PRO A 53 9.645 10.937 -2.942 1.00 0.00 C ATOM 850 CG PRO A 53 10.355 11.947 -2.108 1.00 0.00 C ATOM 851 CD PRO A 53 11.501 12.443 -2.946 1.00 0.00 C ATOM 0 HA PRO A 53 9.873 10.640 -5.119 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.594 10.861 -2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.080 9.945 -2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.689 12.765 -1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.714 11.504 -1.179 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.722 13.491 -2.744 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.414 11.881 -2.750 1.00 0.00 H new ATOM 859 N ILE A 54 7.864 11.771 -5.797 1.00 0.00 N ATOM 860 CA ILE A 54 6.676 12.459 -6.287 1.00 0.00 C ATOM 861 C ILE A 54 5.940 13.162 -5.152 1.00 0.00 C ATOM 862 O ILE A 54 5.450 14.279 -5.315 1.00 0.00 O ATOM 863 CB ILE A 54 5.709 11.484 -6.985 1.00 0.00 C ATOM 864 CG1 ILE A 54 6.381 10.849 -8.204 1.00 0.00 C ATOM 865 CG2 ILE A 54 4.433 12.206 -7.394 1.00 0.00 C ATOM 866 CD1 ILE A 54 5.670 9.614 -8.711 1.00 0.00 C ATOM 0 H ILE A 54 8.081 10.903 -6.286 1.00 0.00 H new ATOM 0 HA ILE A 54 7.016 13.201 -7.010 1.00 0.00 H new ATOM 0 HB ILE A 54 5.447 10.691 -6.284 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.430 11.585 -9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.408 10.588 -7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.760 11.504 -7.886 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.947 12.615 -6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.678 13.016 -8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.202 9.217 -9.576 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.644 8.860 -7.924 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.651 9.873 -8.999 1.00 0.00 H new ATOM 878 N GLN A 55 5.867 12.500 -4.001 1.00 0.00 N ATOM 879 CA GLN A 55 5.192 13.062 -2.838 1.00 0.00 C ATOM 880 C GLN A 55 5.360 12.158 -1.621 1.00 0.00 C ATOM 881 O GLN A 55 4.861 11.033 -1.599 1.00 0.00 O ATOM 882 CB GLN A 55 3.706 13.267 -3.135 1.00 0.00 C ATOM 883 CG GLN A 55 3.088 14.430 -2.374 1.00 0.00 C ATOM 884 CD GLN A 55 2.924 14.138 -0.895 1.00 0.00 C ATOM 885 OE1 GLN A 55 3.537 14.792 -0.050 1.00 0.00 O ATOM 886 NE2 GLN A 55 2.094 13.153 -0.574 1.00 0.00 N ATOM 0 H GLN A 55 6.267 11.574 -3.850 1.00 0.00 H new ATOM 0 HA GLN A 55 5.647 14.027 -2.616 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.577 13.434 -4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.165 12.353 -2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.713 15.314 -2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.114 14.665 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.607 12.637 -1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.943 12.912 0.406 1.00 0.00 H new ATOM 895 N GLN A 56 6.066 12.657 -0.612 1.00 0.00 N ATOM 896 CA GLN A 56 6.300 11.893 0.608 1.00 0.00 C ATOM 897 C GLN A 56 5.219 12.178 1.645 1.00 0.00 C ATOM 898 O GLN A 56 4.802 13.324 1.824 1.00 0.00 O ATOM 899 CB GLN A 56 7.677 12.223 1.185 1.00 0.00 C ATOM 900 CG GLN A 56 7.774 13.625 1.765 1.00 0.00 C ATOM 901 CD GLN A 56 9.100 13.883 2.452 1.00 0.00 C ATOM 902 OE1 GLN A 56 10.079 13.171 2.225 1.00 0.00 O ATOM 903 NE2 GLN A 56 9.140 14.905 3.298 1.00 0.00 N ATOM 0 H GLN A 56 6.486 13.587 -0.615 1.00 0.00 H new ATOM 0 HA GLN A 56 6.264 10.833 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.918 11.499 1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.426 12.110 0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.635 14.354 0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.964 13.775 2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.305 15.469 3.456 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.006 15.126 3.790 1.00 0.00 H new ATOM 912 N LEU A 57 4.767 11.131 2.325 1.00 0.00 N ATOM 913 CA LEU A 57 3.734 11.268 3.345 1.00 0.00 C ATOM 914 C LEU A 57 3.970 10.294 4.495 1.00 0.00 C ATOM 915 O LEU A 57 4.440 9.177 4.288 1.00 0.00 O ATOM 916 CB LEU A 57 2.352 11.028 2.735 1.00 0.00 C ATOM 917 CG LEU A 57 2.240 9.847 1.771 1.00 0.00 C ATOM 918 CD1 LEU A 57 0.795 9.385 1.658 1.00 0.00 C ATOM 919 CD2 LEU A 57 2.791 10.221 0.402 1.00 0.00 C ATOM 0 H LEU A 57 5.100 10.177 2.188 1.00 0.00 H new ATOM 0 HA LEU A 57 3.780 12.284 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.640 10.878 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.048 11.932 2.207 1.00 0.00 H new ATOM 0 HG LEU A 57 2.834 9.023 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.735 8.544 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.434 9.076 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.179 10.204 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.703 9.368 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.225 11.061 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.840 10.502 0.496 1.00 0.00 H new ATOM 931 N ASN A 58 3.638 10.727 5.708 1.00 0.00 N ATOM 932 CA ASN A 58 3.813 9.892 6.891 1.00 0.00 C ATOM 933 C ASN A 58 2.556 9.074 7.170 1.00 0.00 C ATOM 934 O ASN A 58 1.504 9.625 7.499 1.00 0.00 O ATOM 935 CB ASN A 58 4.152 10.758 8.106 1.00 0.00 C ATOM 936 CG ASN A 58 4.918 9.991 9.167 1.00 0.00 C ATOM 937 OD1 ASN A 58 6.144 9.890 9.111 1.00 0.00 O ATOM 938 ND2 ASN A 58 4.197 9.447 10.140 1.00 0.00 N ATOM 0 H ASN A 58 3.247 11.650 5.897 1.00 0.00 H new ATOM 0 HA ASN A 58 4.638 9.205 6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.743 11.616 7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.231 11.149 8.538 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.657 8.919 10.882 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.183 9.557 10.146 1.00 0.00 H new ATOM 945 N LEU A 59 2.672 7.757 7.038 1.00 0.00 N ATOM 946 CA LEU A 59 1.545 6.862 7.277 1.00 0.00 C ATOM 947 C LEU A 59 0.915 7.132 8.640 1.00 0.00 C ATOM 948 O LEU A 59 -0.308 7.154 8.777 1.00 0.00 O ATOM 949 CB LEU A 59 2.000 5.404 7.192 1.00 0.00 C ATOM 950 CG LEU A 59 2.156 4.831 5.783 1.00 0.00 C ATOM 951 CD1 LEU A 59 2.842 3.475 5.831 1.00 0.00 C ATOM 952 CD2 LEU A 59 0.801 4.721 5.098 1.00 0.00 C ATOM 0 H LEU A 59 3.535 7.285 6.767 1.00 0.00 H new ATOM 0 HA LEU A 59 0.795 7.048 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.956 5.312 7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.283 4.788 7.736 1.00 0.00 H new ATOM 0 HG LEU A 59 2.780 5.511 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.944 3.083 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.829 3.582 6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.245 2.786 6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.932 4.311 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.153 4.063 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.347 5.709 5.029 1.00 0.00 H new ATOM 964 N LYS A 60 1.758 7.338 9.645 1.00 0.00 N ATOM 965 CA LYS A 60 1.286 7.610 10.997 1.00 0.00 C ATOM 966 C LYS A 60 0.381 8.837 11.021 1.00 0.00 C ATOM 967 O LYS A 60 0.847 9.967 10.879 1.00 0.00 O ATOM 968 CB LYS A 60 2.471 7.819 11.942 1.00 0.00 C ATOM 969 CG LYS A 60 2.130 7.598 13.405 1.00 0.00 C ATOM 970 CD LYS A 60 3.337 7.116 14.193 1.00 0.00 C ATOM 971 CE LYS A 60 4.299 8.255 14.490 1.00 0.00 C ATOM 972 NZ LYS A 60 5.213 8.522 13.346 1.00 0.00 N ATOM 0 H LYS A 60 2.773 7.322 9.549 1.00 0.00 H new ATOM 0 HA LYS A 60 0.709 6.748 11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.275 7.140 11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.851 8.833 11.816 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.760 8.527 13.838 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.326 6.866 13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.006 6.665 15.128 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.854 6.339 13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.733 9.157 14.721 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.887 8.012 15.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.175 8.691 13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.220 7.701 12.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.884 9.361 12.827 1.00 0.00 H new ATOM 986 N GLY A 61 -0.916 8.608 11.203 1.00 0.00 N ATOM 987 CA GLY A 61 -1.866 9.705 11.243 1.00 0.00 C ATOM 988 C GLY A 61 -2.920 9.599 10.159 1.00 0.00 C ATOM 989 O GLY A 61 -3.978 10.224 10.250 1.00 0.00 O ATOM 0 H GLY A 61 -1.326 7.682 11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.353 9.725 12.218 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.331 10.649 11.135 1.00 0.00 H new ATOM 993 N CYS A 62 -2.633 8.808 9.132 1.00 0.00 N ATOM 994 CA CYS A 62 -3.565 8.624 8.025 1.00 0.00 C ATOM 995 C CYS A 62 -4.553 7.502 8.325 1.00 0.00 C ATOM 996 O CYS A 62 -4.552 6.939 9.419 1.00 0.00 O ATOM 997 CB CYS A 62 -2.802 8.317 6.735 1.00 0.00 C ATOM 998 SG CYS A 62 -2.113 6.646 6.665 1.00 0.00 S ATOM 0 H CYS A 62 -1.763 8.284 9.042 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.125 9.550 7.896 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.472 8.458 5.887 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.992 9.038 6.624 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.342 6.451 7.694 1.00 0.00 H new ATOM 1004 N GLU A 63 -5.395 7.184 7.347 1.00 0.00 N ATOM 1005 CA GLU A 63 -6.390 6.130 7.509 1.00 0.00 C ATOM 1006 C GLU A 63 -6.258 5.083 6.407 1.00 0.00 C ATOM 1007 O GLU A 63 -5.638 5.329 5.372 1.00 0.00 O ATOM 1008 CB GLU A 63 -7.800 6.724 7.498 1.00 0.00 C ATOM 1009 CG GLU A 63 -8.807 5.917 8.301 1.00 0.00 C ATOM 1010 CD GLU A 63 -8.347 5.659 9.723 1.00 0.00 C ATOM 1011 OE1 GLU A 63 -8.117 6.641 10.460 1.00 0.00 O ATOM 1012 OE2 GLU A 63 -8.217 4.475 10.098 1.00 0.00 O ATOM 0 H GLU A 63 -5.408 7.641 6.435 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.215 5.645 8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.761 7.738 7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.146 6.798 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.759 6.448 8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.984 4.964 7.802 1.00 0.00 H new ATOM 1019 N VAL A 64 -6.845 3.913 6.638 1.00 0.00 N ATOM 1020 CA VAL A 64 -6.794 2.827 5.666 1.00 0.00 C ATOM 1021 C VAL A 64 -8.095 2.032 5.662 1.00 0.00 C ATOM 1022 O VAL A 64 -8.434 1.371 6.643 1.00 0.00 O ATOM 1023 CB VAL A 64 -5.621 1.871 5.953 1.00 0.00 C ATOM 1024 CG1 VAL A 64 -5.833 1.148 7.274 1.00 0.00 C ATOM 1025 CG2 VAL A 64 -5.453 0.878 4.812 1.00 0.00 C ATOM 0 H VAL A 64 -7.361 3.693 7.490 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.648 3.284 4.687 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.706 2.458 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.994 0.477 7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.900 1.877 8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.756 0.571 7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.620 0.210 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.367 0.294 4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.252 1.418 3.887 1.00 0.00 H new ATOM 1035 N VAL A 65 -8.820 2.100 4.550 1.00 0.00 N ATOM 1036 CA VAL A 65 -10.084 1.384 4.416 1.00 0.00 C ATOM 1037 C VAL A 65 -9.966 0.245 3.411 1.00 0.00 C ATOM 1038 O VAL A 65 -9.609 0.443 2.249 1.00 0.00 O ATOM 1039 CB VAL A 65 -11.219 2.328 3.977 1.00 0.00 C ATOM 1040 CG1 VAL A 65 -12.513 1.552 3.781 1.00 0.00 C ATOM 1041 CG2 VAL A 65 -11.406 3.445 4.992 1.00 0.00 C ATOM 0 H VAL A 65 -8.554 2.643 3.729 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.322 0.974 5.398 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.945 2.778 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.304 2.235 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.369 0.792 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.795 1.072 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.212 4.102 4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.658 3.017 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.483 4.018 5.077 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.275 -0.979 3.865 1.00 0.00 N ATOM 1052 CA PRO A 66 -10.213 -2.176 3.020 1.00 0.00 C ATOM 1053 C PRO A 66 -11.303 -2.190 1.954 1.00 0.00 C ATOM 1054 O PRO A 66 -12.492 -2.232 2.269 1.00 0.00 O ATOM 1055 CB PRO A 66 -10.421 -3.322 4.013 1.00 0.00 C ATOM 1056 CG PRO A 66 -11.182 -2.713 5.140 1.00 0.00 C ATOM 1057 CD PRO A 66 -10.708 -1.289 5.237 1.00 0.00 C ATOM 0 HA PRO A 66 -9.275 -2.237 2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.975 -4.143 3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.469 -3.729 4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.255 -2.755 4.954 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.998 -3.250 6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.504 -0.622 5.567 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.890 -1.186 5.950 1.00 0.00 H new ATOM 1065 N ASP A 67 -10.889 -2.155 0.692 1.00 0.00 N ATOM 1066 CA ASP A 67 -11.831 -2.165 -0.422 1.00 0.00 C ATOM 1067 C ASP A 67 -11.668 -3.429 -1.260 1.00 0.00 C ATOM 1068 O ASP A 67 -11.878 -3.414 -2.473 1.00 0.00 O ATOM 1069 CB ASP A 67 -11.631 -0.927 -1.298 1.00 0.00 C ATOM 1070 CG ASP A 67 -12.462 0.252 -0.833 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -13.701 0.200 -0.980 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -11.873 1.227 -0.321 1.00 0.00 O ATOM 0 H ASP A 67 -9.908 -2.119 0.415 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.841 -2.151 -0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.577 -0.649 -1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.893 -1.168 -2.328 1.00 0.00 H new ATOM 1077 N VAL A 68 -11.290 -4.522 -0.605 1.00 0.00 N ATOM 1078 CA VAL A 68 -11.098 -5.795 -1.290 1.00 0.00 C ATOM 1079 C VAL A 68 -12.427 -6.512 -1.500 1.00 0.00 C ATOM 1080 O VAL A 68 -13.346 -6.388 -0.692 1.00 0.00 O ATOM 1081 CB VAL A 68 -10.149 -6.719 -0.502 1.00 0.00 C ATOM 1082 CG1 VAL A 68 -8.944 -5.940 0.003 1.00 0.00 C ATOM 1083 CG2 VAL A 68 -10.887 -7.383 0.650 1.00 0.00 C ATOM 0 H VAL A 68 -11.111 -4.552 0.399 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.653 -5.569 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.791 -7.501 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.285 -6.608 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.403 -5.517 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.279 -5.136 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.202 -8.032 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.275 -6.618 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.714 -7.976 0.259 1.00 0.00 H new ATOM 1093 N ASN A 69 -12.522 -7.262 -2.593 1.00 0.00 N ATOM 1094 CA ASN A 69 -13.739 -8.000 -2.911 1.00 0.00 C ATOM 1095 C ASN A 69 -13.414 -9.427 -3.340 1.00 0.00 C ATOM 1096 O ASN A 69 -13.091 -9.680 -4.500 1.00 0.00 O ATOM 1097 CB ASN A 69 -14.517 -7.287 -4.019 1.00 0.00 C ATOM 1098 CG ASN A 69 -15.301 -6.097 -3.501 1.00 0.00 C ATOM 1099 OD1 ASN A 69 -14.758 -5.004 -3.341 1.00 0.00 O ATOM 1100 ND2 ASN A 69 -16.586 -6.305 -3.236 1.00 0.00 N ATOM 0 H ASN A 69 -11.771 -7.375 -3.274 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.354 -8.041 -2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.822 -6.953 -4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -15.201 -7.992 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -17.164 -5.542 -2.885 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.994 -7.228 -3.384 1.00 0.00 H new ATOM 1107 N VAL A 70 -13.503 -10.358 -2.395 1.00 0.00 N ATOM 1108 CA VAL A 70 -13.221 -11.761 -2.674 1.00 0.00 C ATOM 1109 C VAL A 70 -14.066 -12.271 -3.836 1.00 0.00 C ATOM 1110 O VAL A 70 -13.626 -13.119 -4.612 1.00 0.00 O ATOM 1111 CB VAL A 70 -13.481 -12.643 -1.439 1.00 0.00 C ATOM 1112 CG1 VAL A 70 -13.204 -14.104 -1.757 1.00 0.00 C ATOM 1113 CG2 VAL A 70 -12.637 -12.175 -0.263 1.00 0.00 C ATOM 0 H VAL A 70 -13.768 -10.165 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.166 -11.824 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 70 -14.531 -12.550 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.393 -14.711 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.856 -14.430 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.163 -14.219 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.833 -12.810 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.581 -12.237 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.891 -11.143 -0.021 1.00 0.00 H new ATOM 1123 N SER A 71 -15.282 -11.747 -3.951 1.00 0.00 N ATOM 1124 CA SER A 71 -16.191 -12.152 -5.017 1.00 0.00 C ATOM 1125 C SER A 71 -15.451 -12.272 -6.345 1.00 0.00 C ATOM 1126 O SER A 71 -15.626 -13.243 -7.080 1.00 0.00 O ATOM 1127 CB SER A 71 -17.337 -11.146 -5.147 1.00 0.00 C ATOM 1128 OG SER A 71 -18.132 -11.124 -3.974 1.00 0.00 O ATOM 0 H SER A 71 -15.661 -11.041 -3.319 1.00 0.00 H new ATOM 0 HA SER A 71 -16.601 -13.129 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.932 -10.151 -5.335 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.957 -11.405 -6.005 1.00 0.00 H new ATOM 0 HG SER A 71 -18.856 -10.472 -4.082 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.623 -11.276 -6.647 1.00 0.00 N ATOM 1135 CA GLY A 72 -13.868 -11.288 -7.886 1.00 0.00 C ATOM 1136 C GLY A 72 -12.372 -11.366 -7.653 1.00 0.00 C ATOM 1137 O GLY A 72 -11.589 -10.814 -8.425 1.00 0.00 O ATOM 0 H GLY A 72 -14.462 -10.461 -6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.183 -12.138 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.097 -10.388 -8.456 1.00 0.00 H new ATOM 1141 N GLN A 73 -11.976 -12.051 -6.586 1.00 0.00 N ATOM 1142 CA GLN A 73 -10.564 -12.196 -6.253 1.00 0.00 C ATOM 1143 C GLN A 73 -9.830 -10.868 -6.402 1.00 0.00 C ATOM 1144 O GLN A 73 -8.748 -10.806 -6.986 1.00 0.00 O ATOM 1145 CB GLN A 73 -9.914 -13.255 -7.146 1.00 0.00 C ATOM 1146 CG GLN A 73 -10.388 -14.670 -6.856 1.00 0.00 C ATOM 1147 CD GLN A 73 -9.941 -15.168 -5.496 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -8.765 -15.079 -5.145 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -10.881 -15.698 -4.722 1.00 0.00 N ATOM 0 H GLN A 73 -12.612 -12.514 -5.937 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.493 -12.514 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.124 -13.017 -8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.832 -13.210 -7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.476 -14.703 -6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.009 -15.341 -7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.844 -15.752 -5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.640 -16.051 -3.796 1.00 0.00 H new ATOM 1158 N LYS A 74 -10.426 -9.806 -5.871 1.00 0.00 N ATOM 1159 CA LYS A 74 -9.830 -8.477 -5.944 1.00 0.00 C ATOM 1160 C LYS A 74 -9.451 -7.974 -4.555 1.00 0.00 C ATOM 1161 O LYS A 74 -10.049 -8.371 -3.555 1.00 0.00 O ATOM 1162 CB LYS A 74 -10.800 -7.496 -6.606 1.00 0.00 C ATOM 1163 CG LYS A 74 -10.286 -6.067 -6.647 1.00 0.00 C ATOM 1164 CD LYS A 74 -11.206 -5.167 -7.455 1.00 0.00 C ATOM 1165 CE LYS A 74 -10.453 -3.981 -8.040 1.00 0.00 C ATOM 1166 NZ LYS A 74 -10.327 -2.867 -7.060 1.00 0.00 N ATOM 0 H LYS A 74 -11.322 -9.840 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.924 -8.545 -6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.003 -7.830 -7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.748 -7.517 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.198 -5.682 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.286 -6.051 -7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.664 -5.742 -8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.016 -4.808 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.460 -4.301 -8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.971 -3.625 -8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.571 -2.221 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.226 -2.347 -7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.096 -3.254 -6.123 1.00 0.00 H new ATOM 1180 N PHE A 75 -8.454 -7.097 -4.500 1.00 0.00 N ATOM 1181 CA PHE A 75 -7.995 -6.539 -3.233 1.00 0.00 C ATOM 1182 C PHE A 75 -7.362 -5.166 -3.441 1.00 0.00 C ATOM 1183 O PHE A 75 -6.378 -5.028 -4.168 1.00 0.00 O ATOM 1184 CB PHE A 75 -6.989 -7.482 -2.570 1.00 0.00 C ATOM 1185 CG PHE A 75 -7.358 -8.933 -2.691 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -7.055 -9.645 -3.840 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -8.008 -9.585 -1.655 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -7.395 -10.980 -3.954 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -8.349 -10.920 -1.763 1.00 0.00 C ATOM 1190 CZ PHE A 75 -8.041 -11.618 -2.914 1.00 0.00 C ATOM 0 H PHE A 75 -7.948 -6.757 -5.318 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.860 -6.426 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.007 -7.326 -3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.902 -7.224 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.548 -9.152 -4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.251 -9.043 -0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.155 -11.524 -4.856 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.856 -11.416 -0.949 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.305 -12.662 -3.001 1.00 0.00 H new ATOM 1200 N CYS A 76 -7.934 -4.154 -2.797 1.00 0.00 N ATOM 1201 CA CYS A 76 -7.428 -2.791 -2.911 1.00 0.00 C ATOM 1202 C CYS A 76 -7.296 -2.143 -1.537 1.00 0.00 C ATOM 1203 O CYS A 76 -8.080 -2.423 -0.630 1.00 0.00 O ATOM 1204 CB CYS A 76 -8.352 -1.954 -3.797 1.00 0.00 C ATOM 1205 SG CYS A 76 -7.591 -0.444 -4.437 1.00 0.00 S ATOM 0 H CYS A 76 -8.748 -4.252 -2.191 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.440 -2.834 -3.368 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.684 -2.565 -4.636 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.241 -1.686 -3.226 1.00 0.00 H new ATOM 0 HG CYS A 76 -6.339 -0.408 -4.089 1.00 0.00 H new ATOM 1211 N ILE A 77 -6.298 -1.278 -1.390 1.00 0.00 N ATOM 1212 CA ILE A 77 -6.064 -0.591 -0.126 1.00 0.00 C ATOM 1213 C ILE A 77 -6.299 0.910 -0.264 1.00 0.00 C ATOM 1214 O ILE A 77 -5.415 1.651 -0.693 1.00 0.00 O ATOM 1215 CB ILE A 77 -4.631 -0.830 0.387 1.00 0.00 C ATOM 1216 CG1 ILE A 77 -4.311 -2.326 0.393 1.00 0.00 C ATOM 1217 CG2 ILE A 77 -4.462 -0.240 1.779 1.00 0.00 C ATOM 1218 CD1 ILE A 77 -2.845 -2.629 0.607 1.00 0.00 C ATOM 0 H ILE A 77 -5.639 -1.036 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.772 -1.002 0.593 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.932 -0.332 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.892 -2.811 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.629 -2.761 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.445 -0.417 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.653 0.833 1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.167 -0.713 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.692 -3.708 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.259 -2.174 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.526 -2.224 1.567 1.00 0.00 H new ATOM 1230 N LYS A 78 -7.496 1.351 0.104 1.00 0.00 N ATOM 1231 CA LYS A 78 -7.849 2.764 0.025 1.00 0.00 C ATOM 1232 C LYS A 78 -7.182 3.555 1.146 1.00 0.00 C ATOM 1233 O LYS A 78 -7.663 3.571 2.280 1.00 0.00 O ATOM 1234 CB LYS A 78 -9.368 2.937 0.099 1.00 0.00 C ATOM 1235 CG LYS A 78 -9.825 4.375 -0.067 1.00 0.00 C ATOM 1236 CD LYS A 78 -11.327 4.509 0.122 1.00 0.00 C ATOM 1237 CE LYS A 78 -11.791 5.940 -0.096 1.00 0.00 C ATOM 1238 NZ LYS A 78 -11.953 6.257 -1.542 1.00 0.00 N ATOM 0 H LYS A 78 -8.239 0.750 0.460 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.492 3.149 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.833 2.325 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.722 2.561 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.309 5.007 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.549 4.733 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.843 3.848 -0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.598 4.187 1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.739 6.097 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.070 6.627 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.503 7.134 -1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.017 6.382 -1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.453 5.477 -2.014 1.00 0.00 H new ATOM 1252 N LEU A 79 -6.072 4.210 0.822 1.00 0.00 N ATOM 1253 CA LEU A 79 -5.340 5.004 1.802 1.00 0.00 C ATOM 1254 C LEU A 79 -5.771 6.467 1.750 1.00 0.00 C ATOM 1255 O LEU A 79 -5.794 7.080 0.682 1.00 0.00 O ATOM 1256 CB LEU A 79 -3.834 4.896 1.553 1.00 0.00 C ATOM 1257 CG LEU A 79 -2.933 5.174 2.756 1.00 0.00 C ATOM 1258 CD1 LEU A 79 -2.993 4.020 3.746 1.00 0.00 C ATOM 1259 CD2 LEU A 79 -1.500 5.417 2.305 1.00 0.00 C ATOM 0 H LEU A 79 -5.660 4.207 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.568 4.612 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.618 3.892 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.567 5.590 0.756 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.293 6.074 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.345 4.236 4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.018 3.892 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.659 3.104 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.873 5.613 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.129 4.536 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.470 6.276 1.635 1.00 0.00 H new ATOM 1271 N LEU A 80 -6.111 7.019 2.909 1.00 0.00 N ATOM 1272 CA LEU A 80 -6.539 8.411 2.996 1.00 0.00 C ATOM 1273 C LEU A 80 -5.613 9.210 3.907 1.00 0.00 C ATOM 1274 O LEU A 80 -5.672 9.089 5.131 1.00 0.00 O ATOM 1275 CB LEU A 80 -7.976 8.491 3.515 1.00 0.00 C ATOM 1276 CG LEU A 80 -9.078 8.281 2.475 1.00 0.00 C ATOM 1277 CD1 LEU A 80 -10.378 7.873 3.151 1.00 0.00 C ATOM 1278 CD2 LEU A 80 -9.277 9.541 1.647 1.00 0.00 C ATOM 0 H LEU A 80 -6.099 6.525 3.801 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.495 8.842 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.099 7.746 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.121 9.468 3.976 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.772 7.476 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.151 7.728 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.227 6.943 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.689 8.655 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.065 9.373 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.561 10.365 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.348 9.789 1.133 1.00 0.00 H new ATOM 1290 N VAL A 81 -4.758 10.029 3.302 1.00 0.00 N ATOM 1291 CA VAL A 81 -3.821 10.851 4.058 1.00 0.00 C ATOM 1292 C VAL A 81 -4.244 12.316 4.049 1.00 0.00 C ATOM 1293 O VAL A 81 -4.451 12.922 2.997 1.00 0.00 O ATOM 1294 CB VAL A 81 -2.393 10.737 3.494 1.00 0.00 C ATOM 1295 CG1 VAL A 81 -1.434 11.614 4.285 1.00 0.00 C ATOM 1296 CG2 VAL A 81 -1.932 9.288 3.501 1.00 0.00 C ATOM 0 H VAL A 81 -4.695 10.141 2.290 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.829 10.480 5.083 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.400 11.087 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.430 11.520 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.756 12.653 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.428 11.298 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.921 9.226 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.940 8.908 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.604 8.689 2.886 1.00 0.00 H new ATOM 1306 N PRO A 82 -4.376 12.901 5.249 1.00 0.00 N ATOM 1307 CA PRO A 82 -4.775 14.303 5.406 1.00 0.00 C ATOM 1308 C PRO A 82 -3.689 15.269 4.946 1.00 0.00 C ATOM 1309 O PRO A 82 -2.511 15.086 5.251 1.00 0.00 O ATOM 1310 CB PRO A 82 -5.006 14.438 6.913 1.00 0.00 C ATOM 1311 CG PRO A 82 -4.156 13.379 7.524 1.00 0.00 C ATOM 1312 CD PRO A 82 -4.146 12.239 6.544 1.00 0.00 C ATOM 0 HA PRO A 82 -5.649 14.549 4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.722 15.428 7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.057 14.297 7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.146 13.746 7.706 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.558 13.063 8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.196 11.704 6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.925 11.510 6.767 1.00 0.00 H new ATOM 1320 N SER A 83 -4.094 16.299 4.209 1.00 0.00 N ATOM 1321 CA SER A 83 -3.154 17.293 3.704 1.00 0.00 C ATOM 1322 C SER A 83 -3.659 18.707 3.979 1.00 0.00 C ATOM 1323 O SER A 83 -4.853 18.994 3.899 1.00 0.00 O ATOM 1324 CB SER A 83 -2.935 17.101 2.202 1.00 0.00 C ATOM 1325 OG SER A 83 -3.922 17.786 1.450 1.00 0.00 O ATOM 0 H SER A 83 -5.066 16.467 3.949 1.00 0.00 H new ATOM 0 HA SER A 83 -2.205 17.157 4.223 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.945 17.466 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.962 16.038 1.960 1.00 0.00 H new ATOM 0 HG SER A 83 -3.759 17.648 0.494 1.00 0.00 H new ATOM 1331 N PRO A 84 -2.727 19.613 4.310 1.00 0.00 N ATOM 1332 CA PRO A 84 -3.051 21.012 4.603 1.00 0.00 C ATOM 1333 C PRO A 84 -3.493 21.777 3.361 1.00 0.00 C ATOM 1334 O PRO A 84 -3.869 22.946 3.442 1.00 0.00 O ATOM 1335 CB PRO A 84 -1.734 21.577 5.139 1.00 0.00 C ATOM 1336 CG PRO A 84 -0.679 20.713 4.539 1.00 0.00 C ATOM 1337 CD PRO A 84 -1.284 19.341 4.424 1.00 0.00 C ATOM 0 HA PRO A 84 -3.883 21.100 5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -1.604 22.620 4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -1.702 21.542 6.228 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.376 21.089 3.562 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.213 20.695 5.165 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.906 18.807 3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.058 18.728 5.296 1.00 0.00 H new ATOM 1345 N GLU A 85 -3.446 21.109 2.212 1.00 0.00 N ATOM 1346 CA GLU A 85 -3.842 21.729 0.953 1.00 0.00 C ATOM 1347 C GLU A 85 -5.034 21.000 0.339 1.00 0.00 C ATOM 1348 O GLU A 85 -5.554 21.404 -0.700 1.00 0.00 O ATOM 1349 CB GLU A 85 -2.670 21.730 -0.031 1.00 0.00 C ATOM 1350 CG GLU A 85 -1.682 22.861 0.199 1.00 0.00 C ATOM 1351 CD GLU A 85 -0.372 22.651 -0.535 1.00 0.00 C ATOM 1352 OE1 GLU A 85 0.421 21.791 -0.098 1.00 0.00 O ATOM 1353 OE2 GLU A 85 -0.140 23.347 -1.545 1.00 0.00 O ATOM 0 H GLU A 85 -3.138 20.140 2.127 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.135 22.758 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.144 20.778 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.060 21.800 -1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.129 23.800 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.485 22.954 1.267 1.00 0.00 H new ATOM 1360 N GLY A 86 -5.462 19.923 0.991 1.00 0.00 N ATOM 1361 CA GLY A 86 -6.589 19.155 0.496 1.00 0.00 C ATOM 1362 C GLY A 86 -6.603 17.737 1.031 1.00 0.00 C ATOM 1363 O GLY A 86 -6.983 17.503 2.177 1.00 0.00 O ATOM 0 H GLY A 86 -5.048 19.569 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.516 19.655 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.557 19.129 -0.593 1.00 0.00 H new ATOM 1367 N MET A 87 -6.190 16.787 0.197 1.00 0.00 N ATOM 1368 CA MET A 87 -6.158 15.384 0.593 1.00 0.00 C ATOM 1369 C MET A 87 -5.349 14.557 -0.401 1.00 0.00 C ATOM 1370 O MET A 87 -5.372 14.819 -1.604 1.00 0.00 O ATOM 1371 CB MET A 87 -7.579 14.829 0.699 1.00 0.00 C ATOM 1372 CG MET A 87 -7.640 13.310 0.697 1.00 0.00 C ATOM 1373 SD MET A 87 -9.108 12.673 1.528 1.00 0.00 S ATOM 1374 CE MET A 87 -8.467 12.389 3.176 1.00 0.00 C ATOM 0 H MET A 87 -5.873 16.964 -0.756 1.00 0.00 H new ATOM 0 HA MET A 87 -5.677 15.319 1.569 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.038 15.202 1.614 1.00 0.00 H new ATOM 0 HB3 MET A 87 -8.172 15.209 -0.133 1.00 0.00 H new ATOM 0 HG2 MET A 87 -7.625 12.951 -0.332 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.750 12.914 1.186 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.259 11.993 3.811 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.647 11.672 3.129 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.104 13.329 3.592 1.00 0.00 H new ATOM 1384 N SER A 88 -4.635 13.559 0.108 1.00 0.00 N ATOM 1385 CA SER A 88 -3.816 12.696 -0.735 1.00 0.00 C ATOM 1386 C SER A 88 -4.368 11.274 -0.755 1.00 0.00 C ATOM 1387 O SER A 88 -3.885 10.400 -0.036 1.00 0.00 O ATOM 1388 CB SER A 88 -2.369 12.687 -0.238 1.00 0.00 C ATOM 1389 OG SER A 88 -1.627 13.751 -0.808 1.00 0.00 O ATOM 0 H SER A 88 -4.607 13.328 1.101 1.00 0.00 H new ATOM 0 HA SER A 88 -3.841 13.091 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.354 12.770 0.849 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.900 11.736 -0.491 1.00 0.00 H new ATOM 0 HG SER A 88 -0.706 13.724 -0.473 1.00 0.00 H new ATOM 1395 N GLU A 89 -5.383 11.051 -1.585 1.00 0.00 N ATOM 1396 CA GLU A 89 -6.001 9.736 -1.699 1.00 0.00 C ATOM 1397 C GLU A 89 -5.308 8.900 -2.771 1.00 0.00 C ATOM 1398 O GLU A 89 -5.289 9.270 -3.945 1.00 0.00 O ATOM 1399 CB GLU A 89 -7.489 9.874 -2.026 1.00 0.00 C ATOM 1400 CG GLU A 89 -8.264 8.573 -1.900 1.00 0.00 C ATOM 1401 CD GLU A 89 -7.582 7.417 -2.607 1.00 0.00 C ATOM 1402 OE1 GLU A 89 -7.609 7.388 -3.855 1.00 0.00 O ATOM 1403 OE2 GLU A 89 -7.024 6.543 -1.913 1.00 0.00 O ATOM 0 H GLU A 89 -5.794 11.764 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.893 9.228 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.931 10.616 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.595 10.253 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.386 8.328 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.263 8.708 -2.313 1.00 0.00 H new ATOM 1410 N ILE A 90 -4.741 7.772 -2.358 1.00 0.00 N ATOM 1411 CA ILE A 90 -4.048 6.883 -3.283 1.00 0.00 C ATOM 1412 C ILE A 90 -4.734 5.524 -3.358 1.00 0.00 C ATOM 1413 O ILE A 90 -5.219 5.005 -2.352 1.00 0.00 O ATOM 1414 CB ILE A 90 -2.577 6.681 -2.874 1.00 0.00 C ATOM 1415 CG1 ILE A 90 -1.760 7.936 -3.190 1.00 0.00 C ATOM 1416 CG2 ILE A 90 -1.991 5.469 -3.582 1.00 0.00 C ATOM 1417 CD1 ILE A 90 -0.496 8.056 -2.368 1.00 0.00 C ATOM 0 H ILE A 90 -4.748 7.452 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.082 7.359 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.536 6.504 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.497 7.932 -4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.380 8.816 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.951 5.340 -3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.560 4.579 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.042 5.618 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.033 8.968 -2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.753 8.092 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.144 7.194 -2.557 1.00 0.00 H new ATOM 1429 N TYR A 91 -4.771 4.951 -4.556 1.00 0.00 N ATOM 1430 CA TYR A 91 -5.398 3.651 -4.762 1.00 0.00 C ATOM 1431 C TYR A 91 -4.353 2.586 -5.080 1.00 0.00 C ATOM 1432 O TYR A 91 -3.670 2.655 -6.103 1.00 0.00 O ATOM 1433 CB TYR A 91 -6.423 3.730 -5.895 1.00 0.00 C ATOM 1434 CG TYR A 91 -7.626 4.583 -5.564 1.00 0.00 C ATOM 1435 CD1 TYR A 91 -8.247 4.492 -4.324 1.00 0.00 C ATOM 1436 CD2 TYR A 91 -8.144 5.479 -6.492 1.00 0.00 C ATOM 1437 CE1 TYR A 91 -9.347 5.269 -4.018 1.00 0.00 C ATOM 1438 CE2 TYR A 91 -9.243 6.261 -6.193 1.00 0.00 C ATOM 1439 CZ TYR A 91 -9.841 6.152 -4.955 1.00 0.00 C ATOM 1440 OH TYR A 91 -10.937 6.928 -4.654 1.00 0.00 O ATOM 0 H TYR A 91 -4.374 5.366 -5.399 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.906 3.371 -3.839 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.938 4.130 -6.785 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.759 2.723 -6.141 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.863 3.802 -3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.679 5.565 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.818 5.185 -3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.632 6.954 -6.925 1.00 0.00 H new ATOM 0 HH TYR A 91 -11.156 7.496 -5.422 1.00 0.00 H new ATOM 1450 N LEU A 92 -4.235 1.600 -4.197 1.00 0.00 N ATOM 1451 CA LEU A 92 -3.274 0.518 -4.382 1.00 0.00 C ATOM 1452 C LEU A 92 -3.987 -0.817 -4.573 1.00 0.00 C ATOM 1453 O LEU A 92 -4.723 -1.269 -3.696 1.00 0.00 O ATOM 1454 CB LEU A 92 -2.329 0.438 -3.182 1.00 0.00 C ATOM 1455 CG LEU A 92 -1.645 1.744 -2.778 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -1.012 1.612 -1.402 1.00 0.00 C ATOM 1457 CD2 LEU A 92 -0.600 2.141 -3.811 1.00 0.00 C ATOM 0 H LEU A 92 -4.793 1.528 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.694 0.730 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.892 0.066 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.557 -0.300 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.401 2.528 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.530 2.551 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.782 1.375 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.269 0.815 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.123 3.073 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.153 1.356 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.080 2.278 -4.780 1.00 0.00 H new ATOM 1469 N ARG A 93 -3.762 -1.443 -5.723 1.00 0.00 N ATOM 1470 CA ARG A 93 -4.382 -2.727 -6.028 1.00 0.00 C ATOM 1471 C ARG A 93 -3.347 -3.848 -6.013 1.00 0.00 C ATOM 1472 O ARG A 93 -2.273 -3.722 -6.602 1.00 0.00 O ATOM 1473 CB ARG A 93 -5.072 -2.673 -7.393 1.00 0.00 C ATOM 1474 CG ARG A 93 -6.105 -3.768 -7.597 1.00 0.00 C ATOM 1475 CD ARG A 93 -5.481 -5.019 -8.195 1.00 0.00 C ATOM 1476 NE ARG A 93 -6.426 -6.131 -8.247 1.00 0.00 N ATOM 1477 CZ ARG A 93 -6.197 -7.259 -8.912 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -5.062 -7.423 -9.575 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -7.106 -8.226 -8.912 1.00 0.00 N ATOM 0 H ARG A 93 -3.155 -1.082 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.127 -2.934 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.556 -1.703 -7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.317 -2.747 -8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.570 -4.013 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.896 -3.405 -8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -5.123 -4.800 -9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.612 -5.309 -7.604 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.310 -6.037 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.361 -6.682 -9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.889 -8.290 -10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.981 -8.104 -8.402 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.930 -9.091 -9.422 1.00 0.00 H new ATOM 1493 N CYS A 94 -3.678 -4.942 -5.336 1.00 0.00 N ATOM 1494 CA CYS A 94 -2.777 -6.085 -5.243 1.00 0.00 C ATOM 1495 C CYS A 94 -3.255 -7.228 -6.132 1.00 0.00 C ATOM 1496 O CYS A 94 -4.455 -7.403 -6.343 1.00 0.00 O ATOM 1497 CB CYS A 94 -2.670 -6.560 -3.794 1.00 0.00 C ATOM 1498 SG CYS A 94 -1.920 -5.354 -2.675 1.00 0.00 S ATOM 0 H CYS A 94 -4.563 -5.062 -4.844 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.792 -5.769 -5.587 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.667 -6.807 -3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.084 -7.479 -3.766 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.979 -5.928 -1.985 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.308 -8.002 -6.652 1.00 0.00 N ATOM 1505 CA GLN A 95 -2.633 -9.127 -7.521 1.00 0.00 C ATOM 1506 C GLN A 95 -3.485 -10.156 -6.784 1.00 0.00 C ATOM 1507 O GLN A 95 -4.589 -10.486 -7.217 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.353 -9.785 -8.040 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.599 -10.826 -9.121 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.314 -11.340 -9.738 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.783 -10.988 -9.302 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.442 -12.179 -10.759 1.00 0.00 N ATOM 0 H GLN A 95 -1.310 -7.871 -6.487 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.206 -8.746 -8.367 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.692 -9.013 -8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.832 -10.255 -7.206 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.153 -11.662 -8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.225 -10.393 -9.901 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.370 -12.444 -11.088 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.388 -12.559 -11.214 1.00 0.00 H new ATOM 1521 N ASP A 96 -2.965 -10.657 -5.669 1.00 0.00 N ATOM 1522 CA ASP A 96 -3.679 -11.648 -4.871 1.00 0.00 C ATOM 1523 C ASP A 96 -3.722 -11.234 -3.404 1.00 0.00 C ATOM 1524 O ASP A 96 -3.176 -10.198 -3.025 1.00 0.00 O ATOM 1525 CB ASP A 96 -3.014 -13.019 -5.009 1.00 0.00 C ATOM 1526 CG ASP A 96 -3.952 -14.155 -4.649 1.00 0.00 C ATOM 1527 OD1 ASP A 96 -5.176 -13.915 -4.578 1.00 0.00 O ATOM 1528 OD2 ASP A 96 -3.462 -15.284 -4.439 1.00 0.00 O ATOM 0 H ASP A 96 -2.052 -10.394 -5.297 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.702 -11.710 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.666 -13.150 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.135 -13.060 -4.366 1.00 0.00 H new ATOM 1533 N GLU A 97 -4.375 -12.051 -2.583 1.00 0.00 N ATOM 1534 CA GLU A 97 -4.490 -11.768 -1.157 1.00 0.00 C ATOM 1535 C GLU A 97 -3.138 -11.908 -0.463 1.00 0.00 C ATOM 1536 O GLU A 97 -2.847 -11.197 0.498 1.00 0.00 O ATOM 1537 CB GLU A 97 -5.508 -12.709 -0.509 1.00 0.00 C ATOM 1538 CG GLU A 97 -5.188 -14.181 -0.705 1.00 0.00 C ATOM 1539 CD GLU A 97 -6.125 -15.090 0.066 1.00 0.00 C ATOM 1540 OE1 GLU A 97 -6.467 -14.752 1.218 1.00 0.00 O ATOM 1541 OE2 GLU A 97 -6.518 -16.140 -0.485 1.00 0.00 O ATOM 0 H GLU A 97 -4.832 -12.913 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.832 -10.739 -1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.558 -12.496 0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.495 -12.502 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.245 -14.423 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.162 -14.371 -0.389 1.00 0.00 H new ATOM 1548 N GLN A 98 -2.318 -12.829 -0.959 1.00 0.00 N ATOM 1549 CA GLN A 98 -0.998 -13.063 -0.386 1.00 0.00 C ATOM 1550 C GLN A 98 -0.244 -11.750 -0.201 1.00 0.00 C ATOM 1551 O GLN A 98 0.219 -11.439 0.896 1.00 0.00 O ATOM 1552 CB GLN A 98 -0.191 -14.006 -1.280 1.00 0.00 C ATOM 1553 CG GLN A 98 -0.486 -15.477 -1.035 1.00 0.00 C ATOM 1554 CD GLN A 98 -0.522 -15.827 0.440 1.00 0.00 C ATOM 1555 OE1 GLN A 98 0.179 -15.221 1.251 1.00 0.00 O ATOM 1556 NE2 GLN A 98 -1.341 -16.810 0.795 1.00 0.00 N ATOM 0 H GLN A 98 -2.544 -13.425 -1.756 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.131 -13.525 0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.400 -13.771 -2.324 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.872 -13.825 -1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.444 -15.732 -1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.273 -16.083 -1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.904 -17.285 0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.407 -17.090 1.774 1.00 0.00 H new ATOM 1565 N GLN A 99 -0.126 -10.984 -1.281 1.00 0.00 N ATOM 1566 CA GLN A 99 0.573 -9.705 -1.237 1.00 0.00 C ATOM 1567 C GLN A 99 -0.215 -8.682 -0.424 1.00 0.00 C ATOM 1568 O GLN A 99 0.349 -7.962 0.400 1.00 0.00 O ATOM 1569 CB GLN A 99 0.806 -9.178 -2.654 1.00 0.00 C ATOM 1570 CG GLN A 99 1.656 -7.918 -2.702 1.00 0.00 C ATOM 1571 CD GLN A 99 2.215 -7.644 -4.085 1.00 0.00 C ATOM 1572 OE1 GLN A 99 1.465 -7.458 -5.044 1.00 0.00 O ATOM 1573 NE2 GLN A 99 3.538 -7.618 -4.194 1.00 0.00 N ATOM 0 H GLN A 99 -0.505 -11.227 -2.196 1.00 0.00 H new ATOM 0 HA GLN A 99 1.537 -9.862 -0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.289 -9.955 -3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.158 -8.974 -3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.055 -7.067 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.479 -8.012 -1.994 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.121 -7.778 -3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.972 -7.438 -5.100 1.00 0.00 H new ATOM 1582 N TYR A 100 -1.520 -8.623 -0.663 1.00 0.00 N ATOM 1583 CA TYR A 100 -2.385 -7.687 0.045 1.00 0.00 C ATOM 1584 C TYR A 100 -2.151 -7.760 1.551 1.00 0.00 C ATOM 1585 O TYR A 100 -1.781 -6.770 2.181 1.00 0.00 O ATOM 1586 CB TYR A 100 -3.853 -7.979 -0.269 1.00 0.00 C ATOM 1587 CG TYR A 100 -4.815 -7.408 0.748 1.00 0.00 C ATOM 1588 CD1 TYR A 100 -5.090 -6.047 0.787 1.00 0.00 C ATOM 1589 CD2 TYR A 100 -5.449 -8.231 1.671 1.00 0.00 C ATOM 1590 CE1 TYR A 100 -5.968 -5.522 1.715 1.00 0.00 C ATOM 1591 CE2 TYR A 100 -6.329 -7.715 2.603 1.00 0.00 C ATOM 1592 CZ TYR A 100 -6.585 -6.359 2.621 1.00 0.00 C ATOM 1593 OH TYR A 100 -7.461 -5.840 3.547 1.00 0.00 O ATOM 0 H TYR A 100 -2.002 -9.212 -1.342 1.00 0.00 H new ATOM 0 HA TYR A 100 -2.141 -6.680 -0.294 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.093 -7.573 -1.252 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.996 -9.058 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.609 -5.388 0.079 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -5.250 -9.293 1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.170 -4.461 1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -6.814 -8.369 3.313 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.809 -6.563 4.109 1.00 0.00 H new ATOM 1603 N ALA A 101 -2.368 -8.941 2.120 1.00 0.00 N ATOM 1604 CA ALA A 101 -2.179 -9.146 3.550 1.00 0.00 C ATOM 1605 C ALA A 101 -0.857 -8.550 4.020 1.00 0.00 C ATOM 1606 O ALA A 101 -0.790 -7.915 5.073 1.00 0.00 O ATOM 1607 CB ALA A 101 -2.239 -10.629 3.883 1.00 0.00 C ATOM 0 H ALA A 101 -2.675 -9.770 1.612 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.985 -8.634 4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.096 -10.767 4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.211 -11.028 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.453 -11.156 3.341 1.00 0.00 H new ATOM 1613 N ARG A 102 0.194 -8.758 3.233 1.00 0.00 N ATOM 1614 CA ARG A 102 1.515 -8.243 3.570 1.00 0.00 C ATOM 1615 C ARG A 102 1.510 -6.717 3.608 1.00 0.00 C ATOM 1616 O ARG A 102 1.678 -6.112 4.667 1.00 0.00 O ATOM 1617 CB ARG A 102 2.552 -8.735 2.558 1.00 0.00 C ATOM 1618 CG ARG A 102 2.868 -10.216 2.682 1.00 0.00 C ATOM 1619 CD ARG A 102 3.776 -10.688 1.557 1.00 0.00 C ATOM 1620 NE ARG A 102 4.638 -11.790 1.976 1.00 0.00 N ATOM 1621 CZ ARG A 102 4.241 -13.057 2.023 1.00 0.00 C ATOM 1622 NH1 ARG A 102 3.002 -13.379 1.680 1.00 0.00 N ATOM 1623 NH2 ARG A 102 5.084 -14.004 2.414 1.00 0.00 N ATOM 0 H ARG A 102 0.156 -9.280 2.357 1.00 0.00 H new ATOM 0 HA ARG A 102 1.780 -8.614 4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.189 -8.533 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.472 -8.164 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.347 -10.408 3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.941 -10.789 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.168 -11.005 0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.392 -9.856 1.215 1.00 0.00 H new ATOM 0 HE ARG A 102 5.597 -11.575 2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.351 -12.653 1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.699 -14.352 1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 102 6.038 -13.760 2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.778 -14.976 2.450 1.00 0.00 H new ATOM 1637 N TRP A 103 1.317 -6.103 2.447 1.00 0.00 N ATOM 1638 CA TRP A 103 1.291 -4.648 2.348 1.00 0.00 C ATOM 1639 C TRP A 103 0.248 -4.056 3.290 1.00 0.00 C ATOM 1640 O TRP A 103 0.576 -3.268 4.177 1.00 0.00 O ATOM 1641 CB TRP A 103 0.997 -4.220 0.909 1.00 0.00 C ATOM 1642 CG TRP A 103 2.221 -4.155 0.046 1.00 0.00 C ATOM 1643 CD1 TRP A 103 2.815 -5.193 -0.612 1.00 0.00 C ATOM 1644 CD2 TRP A 103 3.001 -2.991 -0.248 1.00 0.00 C ATOM 1645 NE1 TRP A 103 3.918 -4.745 -1.299 1.00 0.00 N ATOM 1646 CE2 TRP A 103 4.053 -3.398 -1.093 1.00 0.00 C ATOM 1647 CE3 TRP A 103 2.913 -1.645 0.117 1.00 0.00 C ATOM 1648 CZ2 TRP A 103 5.008 -2.506 -1.574 1.00 0.00 C ATOM 1649 CZ3 TRP A 103 3.861 -0.762 -0.362 1.00 0.00 C ATOM 1650 CH2 TRP A 103 4.897 -1.194 -1.201 1.00 0.00 C ATOM 0 H TRP A 103 1.176 -6.589 1.561 1.00 0.00 H new ATOM 0 HA TRP A 103 2.272 -4.271 2.639 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.287 -4.919 0.468 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.516 -3.242 0.920 1.00 0.00 H new ATOM 0 HD1 TRP A 103 2.469 -6.216 -0.595 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.536 -5.322 -1.870 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.118 -1.301 0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.808 -2.838 -2.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.803 0.280 -0.085 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.621 -0.478 -1.560 1.00 0.00 H new ATOM 1661 N MET A 104 -1.008 -4.442 3.092 1.00 0.00 N ATOM 1662 CA MET A 104 -2.098 -3.950 3.927 1.00 0.00 C ATOM 1663 C MET A 104 -1.709 -3.977 5.402 1.00 0.00 C ATOM 1664 O MET A 104 -1.617 -2.934 6.048 1.00 0.00 O ATOM 1665 CB MET A 104 -3.358 -4.789 3.705 1.00 0.00 C ATOM 1666 CG MET A 104 -4.422 -4.582 4.771 1.00 0.00 C ATOM 1667 SD MET A 104 -4.837 -2.843 5.009 1.00 0.00 S ATOM 1668 CE MET A 104 -6.240 -2.676 3.909 1.00 0.00 C ATOM 0 H MET A 104 -1.296 -5.093 2.362 1.00 0.00 H new ATOM 0 HA MET A 104 -2.302 -2.918 3.642 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.780 -4.545 2.730 1.00 0.00 H new ATOM 0 HB3 MET A 104 -3.082 -5.843 3.678 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.321 -5.131 4.493 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.072 -5.001 5.715 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.676 -1.684 4.024 1.00 0.00 H new ATOM 0 HE2 MET A 104 -5.912 -2.811 2.878 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.987 -3.431 4.154 1.00 0.00 H new ATOM 1678 N ALA A 105 -1.481 -5.176 5.927 1.00 0.00 N ATOM 1679 CA ALA A 105 -1.100 -5.338 7.325 1.00 0.00 C ATOM 1680 C ALA A 105 -0.140 -4.237 7.763 1.00 0.00 C ATOM 1681 O ALA A 105 -0.181 -3.782 8.905 1.00 0.00 O ATOM 1682 CB ALA A 105 -0.473 -6.706 7.546 1.00 0.00 C ATOM 0 H ALA A 105 -1.553 -6.050 5.406 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.001 -5.261 7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.193 -6.813 8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.191 -7.482 7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.415 -6.804 6.922 1.00 0.00 H new ATOM 1688 N GLY A 106 0.725 -3.813 6.846 1.00 0.00 N ATOM 1689 CA GLY A 106 1.684 -2.769 7.158 1.00 0.00 C ATOM 1690 C GLY A 106 1.029 -1.413 7.333 1.00 0.00 C ATOM 1691 O GLY A 106 1.222 -0.750 8.353 1.00 0.00 O ATOM 0 H GLY A 106 0.779 -4.174 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.218 -3.032 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.425 -2.711 6.361 1.00 0.00 H new ATOM 1695 N CYS A 107 0.253 -1.000 6.337 1.00 0.00 N ATOM 1696 CA CYS A 107 -0.431 0.288 6.385 1.00 0.00 C ATOM 1697 C CYS A 107 -1.263 0.415 7.656 1.00 0.00 C ATOM 1698 O CYS A 107 -1.373 1.497 8.232 1.00 0.00 O ATOM 1699 CB CYS A 107 -1.325 0.459 5.156 1.00 0.00 C ATOM 1700 SG CYS A 107 -0.419 0.622 3.600 1.00 0.00 S ATOM 0 H CYS A 107 0.082 -1.537 5.487 1.00 0.00 H new ATOM 0 HA CYS A 107 0.325 1.073 6.388 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.995 -0.398 5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -1.949 1.342 5.294 1.00 0.00 H new ATOM 0 HG CYS A 107 -1.262 0.759 2.620 1.00 0.00 H new ATOM 1706 N ARG A 108 -1.848 -0.698 8.088 1.00 0.00 N ATOM 1707 CA ARG A 108 -2.673 -0.710 9.290 1.00 0.00 C ATOM 1708 C ARG A 108 -1.821 -0.487 10.536 1.00 0.00 C ATOM 1709 O ARG A 108 -2.246 0.181 11.480 1.00 0.00 O ATOM 1710 CB ARG A 108 -3.425 -2.038 9.405 1.00 0.00 C ATOM 1711 CG ARG A 108 -4.591 -2.163 8.438 1.00 0.00 C ATOM 1712 CD ARG A 108 -5.051 -3.606 8.304 1.00 0.00 C ATOM 1713 NE ARG A 108 -5.587 -4.129 9.557 1.00 0.00 N ATOM 1714 CZ ARG A 108 -6.734 -3.724 10.092 1.00 0.00 C ATOM 1715 NH1 ARG A 108 -7.461 -2.797 9.484 1.00 0.00 N ATOM 1716 NH2 ARG A 108 -7.155 -4.248 11.236 1.00 0.00 N ATOM 0 H ARG A 108 -1.766 -1.602 7.624 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.395 0.103 9.213 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.728 -2.857 9.228 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.796 -2.149 10.424 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.420 -1.546 8.785 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.297 -1.781 7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.814 -3.673 7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.213 -4.225 7.982 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.052 -4.845 10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.140 -2.393 8.604 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.341 -2.487 9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.598 -4.962 11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.035 -3.937 11.646 1.00 0.00 H new ATOM 1730 N LEU A 109 -0.617 -1.049 10.533 1.00 0.00 N ATOM 1731 CA LEU A 109 0.295 -0.911 11.663 1.00 0.00 C ATOM 1732 C LEU A 109 0.808 0.520 11.778 1.00 0.00 C ATOM 1733 O LEU A 109 0.735 1.133 12.842 1.00 0.00 O ATOM 1734 CB LEU A 109 1.472 -1.877 11.514 1.00 0.00 C ATOM 1735 CG LEU A 109 1.139 -3.364 11.632 1.00 0.00 C ATOM 1736 CD1 LEU A 109 2.196 -4.205 10.933 1.00 0.00 C ATOM 1737 CD2 LEU A 109 1.015 -3.768 13.094 1.00 0.00 C ATOM 0 H LEU A 109 -0.250 -1.605 9.760 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.254 -1.154 12.573 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.936 -1.705 10.543 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.216 -1.631 12.271 1.00 0.00 H new ATOM 0 HG LEU A 109 0.181 -3.542 11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.942 -5.261 11.028 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.237 -3.935 9.878 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.168 -4.023 11.392 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.778 -4.830 13.159 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.958 -3.575 13.606 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.221 -3.189 13.565 1.00 0.00 H new ATOM 1749 N ALA A 110 1.325 1.048 10.673 1.00 0.00 N ATOM 1750 CA ALA A 110 1.846 2.409 10.649 1.00 0.00 C ATOM 1751 C ALA A 110 0.735 3.427 10.882 1.00 0.00 C ATOM 1752 O ALA A 110 0.961 4.484 11.472 1.00 0.00 O ATOM 1753 CB ALA A 110 2.546 2.683 9.325 1.00 0.00 C ATOM 0 H ALA A 110 1.394 0.554 9.783 1.00 0.00 H new ATOM 0 HA ALA A 110 2.570 2.509 11.458 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.930 3.703 9.321 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.372 1.983 9.199 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.837 2.559 8.506 1.00 0.00 H new ATOM 1759 N SER A 111 -0.466 3.102 10.414 1.00 0.00 N ATOM 1760 CA SER A 111 -1.612 3.991 10.568 1.00 0.00 C ATOM 1761 C SER A 111 -1.712 4.506 12.001 1.00 0.00 C ATOM 1762 O SER A 111 -1.968 5.688 12.232 1.00 0.00 O ATOM 1763 CB SER A 111 -2.903 3.264 10.185 1.00 0.00 C ATOM 1764 OG SER A 111 -4.034 4.093 10.386 1.00 0.00 O ATOM 0 H SER A 111 -0.671 2.230 9.925 1.00 0.00 H new ATOM 0 HA SER A 111 -1.471 4.843 9.903 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.855 2.957 9.140 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.003 2.356 10.780 1.00 0.00 H new ATOM 0 HG SER A 111 -3.883 4.962 9.959 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.507 3.610 12.961 1.00 0.00 N ATOM 1771 CA LYS A 112 -1.572 3.971 14.372 1.00 0.00 C ATOM 1772 C LYS A 112 -0.185 4.302 14.913 1.00 0.00 C ATOM 1773 O LYS A 112 -0.040 5.121 15.820 1.00 0.00 O ATOM 1774 CB LYS A 112 -2.189 2.830 15.184 1.00 0.00 C ATOM 1775 CG LYS A 112 -3.636 2.542 14.825 1.00 0.00 C ATOM 1776 CD LYS A 112 -4.557 3.661 15.282 1.00 0.00 C ATOM 1777 CE LYS A 112 -6.015 3.336 14.994 1.00 0.00 C ATOM 1778 NZ LYS A 112 -6.938 4.090 15.887 1.00 0.00 N ATOM 0 H LYS A 112 -1.294 2.628 12.787 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.200 4.857 14.466 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.599 1.926 15.032 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.128 3.076 16.244 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.726 2.413 13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.946 1.604 15.285 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.425 3.829 16.351 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.283 4.588 14.778 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.241 3.573 13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.180 2.266 15.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.922 3.841 15.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.739 3.845 16.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.798 5.111 15.748 1.00 0.00 H new ATOM 1792 N GLY A 113 0.835 3.660 14.349 1.00 0.00 N ATOM 1793 CA GLY A 113 2.197 3.901 14.787 1.00 0.00 C ATOM 1794 C GLY A 113 3.047 2.647 14.754 1.00 0.00 C ATOM 1795 O GLY A 113 4.271 2.721 14.641 1.00 0.00 O ATOM 0 H GLY A 113 0.741 2.978 13.597 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.651 4.661 14.151 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.184 4.301 15.801 1.00 0.00 H new ATOM 1799 N ARG A 114 2.398 1.491 14.855 1.00 0.00 N ATOM 1800 CA ARG A 114 3.103 0.215 14.839 1.00 0.00 C ATOM 1801 C ARG A 114 3.765 -0.024 13.485 1.00 0.00 C ATOM 1802 O ARG A 114 3.307 0.483 12.460 1.00 0.00 O ATOM 1803 CB ARG A 114 2.139 -0.929 15.156 1.00 0.00 C ATOM 1804 CG ARG A 114 1.602 -0.897 16.578 1.00 0.00 C ATOM 1805 CD ARG A 114 0.681 -2.075 16.853 1.00 0.00 C ATOM 1806 NE ARG A 114 -0.108 -1.882 18.066 1.00 0.00 N ATOM 1807 CZ ARG A 114 -1.110 -2.676 18.426 1.00 0.00 C ATOM 1808 NH1 ARG A 114 -1.443 -3.713 17.669 1.00 0.00 N ATOM 1809 NH2 ARG A 114 -1.781 -2.435 19.545 1.00 0.00 N ATOM 0 H ARG A 114 1.385 1.412 14.949 1.00 0.00 H new ATOM 0 HA ARG A 114 3.880 0.249 15.603 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.301 -0.891 14.459 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.648 -1.878 14.990 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.434 -0.912 17.282 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.061 0.035 16.743 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.012 -2.218 16.004 1.00 0.00 H new ATOM 0 HD3 ARG A 114 1.274 -2.984 16.948 1.00 0.00 H new ATOM 0 HE ARG A 114 0.123 -1.094 18.671 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -0.929 -3.902 16.808 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -2.213 -4.321 17.948 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.528 -1.639 20.130 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.550 -3.046 19.820 1.00 0.00 H new ATOM 1823 N THR A 115 4.845 -0.798 13.488 1.00 0.00 N ATOM 1824 CA THR A 115 5.571 -1.103 12.261 1.00 0.00 C ATOM 1825 C THR A 115 5.897 -2.589 12.170 1.00 0.00 C ATOM 1826 O THR A 115 5.856 -3.305 13.170 1.00 0.00 O ATOM 1827 CB THR A 115 6.879 -0.295 12.166 1.00 0.00 C ATOM 1828 OG1 THR A 115 7.841 -0.810 13.093 1.00 0.00 O ATOM 1829 CG2 THR A 115 6.627 1.178 12.455 1.00 0.00 C ATOM 0 H THR A 115 5.237 -1.226 14.327 1.00 0.00 H new ATOM 0 HA THR A 115 4.920 -0.825 11.432 1.00 0.00 H new ATOM 0 HB THR A 115 7.266 -0.389 11.151 1.00 0.00 H new ATOM 0 HG1 THR A 115 8.670 -0.292 13.025 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.565 1.729 12.382 1.00 0.00 H new ATOM 0 HG22 THR A 115 5.916 1.575 11.730 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.219 1.287 13.460 1.00 0.00 H new ATOM 1837 N MET A 116 6.221 -3.046 10.965 1.00 0.00 N ATOM 1838 CA MET A 116 6.557 -4.448 10.744 1.00 0.00 C ATOM 1839 C MET A 116 7.448 -4.976 11.864 1.00 0.00 C ATOM 1840 O MET A 116 7.350 -6.140 12.251 1.00 0.00 O ATOM 1841 CB MET A 116 7.257 -4.621 9.395 1.00 0.00 C ATOM 1842 CG MET A 116 6.300 -4.655 8.214 1.00 0.00 C ATOM 1843 SD MET A 116 7.046 -5.372 6.737 1.00 0.00 S ATOM 1844 CE MET A 116 8.026 -3.993 6.149 1.00 0.00 C ATOM 0 H MET A 116 6.258 -2.466 10.127 1.00 0.00 H new ATOM 0 HA MET A 116 5.630 -5.022 10.740 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.965 -3.804 9.255 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.835 -5.545 9.411 1.00 0.00 H new ATOM 0 HG2 MET A 116 5.415 -5.230 8.485 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.966 -3.641 7.992 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.999 -4.354 5.816 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.514 -3.511 5.316 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.163 -3.273 6.956 1.00 0.00 H new ATOM 1854 N ALA A 117 8.317 -4.113 12.380 1.00 0.00 N ATOM 1855 CA ALA A 117 9.223 -4.493 13.457 1.00 0.00 C ATOM 1856 C ALA A 117 8.500 -5.312 14.520 1.00 0.00 C ATOM 1857 O ALA A 117 9.032 -6.303 15.022 1.00 0.00 O ATOM 1858 CB ALA A 117 9.852 -3.254 14.078 1.00 0.00 C ATOM 0 H ALA A 117 8.413 -3.146 12.070 1.00 0.00 H new ATOM 0 HA ALA A 117 10.012 -5.114 13.033 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.526 -3.552 14.881 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.412 -2.710 13.317 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.069 -2.612 14.481 1.00 0.00 H new ATOM 1864 N ASP A 118 7.287 -4.892 14.860 1.00 0.00 N ATOM 1865 CA ASP A 118 6.491 -5.587 15.865 1.00 0.00 C ATOM 1866 C ASP A 118 6.104 -6.982 15.381 1.00 0.00 C ATOM 1867 O ASP A 118 5.895 -7.200 14.188 1.00 0.00 O ATOM 1868 CB ASP A 118 5.234 -4.782 16.197 1.00 0.00 C ATOM 1869 CG ASP A 118 4.693 -5.097 17.578 1.00 0.00 C ATOM 1870 OD1 ASP A 118 5.490 -5.108 18.539 1.00 0.00 O ATOM 1871 OD2 ASP A 118 3.472 -5.331 17.697 1.00 0.00 O ATOM 0 H ASP A 118 6.833 -4.074 14.455 1.00 0.00 H new ATOM 0 HA ASP A 118 7.096 -5.689 16.766 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.460 -3.718 16.133 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.465 -4.990 15.453 1.00 0.00 H new ATOM 1876 N SER A 119 6.010 -7.922 16.316 1.00 0.00 N ATOM 1877 CA SER A 119 5.653 -9.296 15.985 1.00 0.00 C ATOM 1878 C SER A 119 4.164 -9.411 15.673 1.00 0.00 C ATOM 1879 O SER A 119 3.672 -10.485 15.327 1.00 0.00 O ATOM 1880 CB SER A 119 6.017 -10.232 17.139 1.00 0.00 C ATOM 1881 OG SER A 119 5.505 -9.749 18.369 1.00 0.00 O ATOM 0 H SER A 119 6.176 -7.757 17.309 1.00 0.00 H new ATOM 0 HA SER A 119 6.216 -9.587 15.098 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.620 -11.228 16.942 1.00 0.00 H new ATOM 0 HB3 SER A 119 7.101 -10.328 17.205 1.00 0.00 H new ATOM 0 HG SER A 119 5.750 -10.366 19.090 1.00 0.00 H new ATOM 1887 N SER A 120 3.453 -8.295 15.798 1.00 0.00 N ATOM 1888 CA SER A 120 2.019 -8.269 15.533 1.00 0.00 C ATOM 1889 C SER A 120 1.744 -8.194 14.034 1.00 0.00 C ATOM 1890 O SER A 120 0.646 -8.510 13.576 1.00 0.00 O ATOM 1891 CB SER A 120 1.369 -7.080 16.242 1.00 0.00 C ATOM 1892 OG SER A 120 0.102 -6.782 15.682 1.00 0.00 O ATOM 0 H SER A 120 3.846 -7.397 16.081 1.00 0.00 H new ATOM 0 HA SER A 120 1.587 -9.193 15.918 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.258 -7.302 17.303 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.018 -6.208 16.165 1.00 0.00 H new ATOM 0 HG SER A 120 -0.293 -6.019 16.154 1.00 0.00 H new ATOM 1898 N TYR A 121 2.750 -7.774 13.275 1.00 0.00 N ATOM 1899 CA TYR A 121 2.618 -7.654 11.828 1.00 0.00 C ATOM 1900 C TYR A 121 2.065 -8.941 11.223 1.00 0.00 C ATOM 1901 O TYR A 121 1.130 -8.914 10.423 1.00 0.00 O ATOM 1902 CB TYR A 121 3.972 -7.322 11.197 1.00 0.00 C ATOM 1903 CG TYR A 121 4.066 -7.695 9.735 1.00 0.00 C ATOM 1904 CD1 TYR A 121 3.551 -6.861 8.750 1.00 0.00 C ATOM 1905 CD2 TYR A 121 4.671 -8.881 9.339 1.00 0.00 C ATOM 1906 CE1 TYR A 121 3.635 -7.199 7.413 1.00 0.00 C ATOM 1907 CE2 TYR A 121 4.760 -9.226 8.004 1.00 0.00 C ATOM 1908 CZ TYR A 121 4.240 -8.382 7.045 1.00 0.00 C ATOM 1909 OH TYR A 121 4.327 -8.721 5.714 1.00 0.00 O ATOM 0 H TYR A 121 3.666 -7.511 13.638 1.00 0.00 H new ATOM 0 HA TYR A 121 1.918 -6.845 11.618 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.161 -6.254 11.304 1.00 0.00 H new ATOM 0 HB3 TYR A 121 4.757 -7.841 11.747 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.077 -5.933 9.034 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.079 -9.545 10.087 1.00 0.00 H new ATOM 0 HE1 TYR A 121 3.229 -6.540 6.660 1.00 0.00 H new ATOM 0 HE2 TYR A 121 5.234 -10.152 7.713 1.00 0.00 H new ATOM 0 HH TYR A 121 4.782 -9.584 5.625 1.00 0.00 H new ATOM 1919 N THR A 122 2.650 -10.070 11.613 1.00 0.00 N ATOM 1920 CA THR A 122 2.218 -11.367 11.110 1.00 0.00 C ATOM 1921 C THR A 122 0.808 -11.699 11.586 1.00 0.00 C ATOM 1922 O THR A 122 0.050 -12.375 10.889 1.00 0.00 O ATOM 1923 CB THR A 122 3.174 -12.489 11.556 1.00 0.00 C ATOM 1924 OG1 THR A 122 2.966 -13.658 10.755 1.00 0.00 O ATOM 1925 CG2 THR A 122 2.963 -12.830 13.023 1.00 0.00 C ATOM 0 H THR A 122 3.424 -10.111 12.276 1.00 0.00 H new ATOM 0 HA THR A 122 2.227 -11.303 10.022 1.00 0.00 H new ATOM 0 HB THR A 122 4.197 -12.136 11.425 1.00 0.00 H new ATOM 0 HG1 THR A 122 3.579 -14.366 11.044 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.650 -13.625 13.314 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.151 -11.946 13.633 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.936 -13.164 13.175 1.00 0.00 H new ATOM 1933 N SER A 123 0.461 -11.219 12.775 1.00 0.00 N ATOM 1934 CA SER A 123 -0.858 -11.467 13.345 1.00 0.00 C ATOM 1935 C SER A 123 -1.957 -10.990 12.400 1.00 0.00 C ATOM 1936 O SER A 123 -3.084 -11.483 12.442 1.00 0.00 O ATOM 1937 CB SER A 123 -0.993 -10.766 14.698 1.00 0.00 C ATOM 1938 OG SER A 123 -2.052 -11.322 15.458 1.00 0.00 O ATOM 0 H SER A 123 1.075 -10.656 13.363 1.00 0.00 H new ATOM 0 HA SER A 123 -0.968 -12.542 13.489 1.00 0.00 H new ATOM 0 HB2 SER A 123 -0.058 -10.855 15.252 1.00 0.00 H new ATOM 0 HB3 SER A 123 -1.172 -9.702 14.543 1.00 0.00 H new ATOM 0 HG SER A 123 -2.116 -10.857 16.319 1.00 0.00 H new ATOM 1944 N GLU A 124 -1.619 -10.026 11.549 1.00 0.00 N ATOM 1945 CA GLU A 124 -2.577 -9.481 10.594 1.00 0.00 C ATOM 1946 C GLU A 124 -2.605 -10.315 9.316 1.00 0.00 C ATOM 1947 O GLU A 124 -3.668 -10.562 8.746 1.00 0.00 O ATOM 1948 CB GLU A 124 -2.228 -8.029 10.260 1.00 0.00 C ATOM 1949 CG GLU A 124 -2.720 -7.032 11.296 1.00 0.00 C ATOM 1950 CD GLU A 124 -2.177 -5.635 11.065 1.00 0.00 C ATOM 1951 OE1 GLU A 124 -1.060 -5.346 11.541 1.00 0.00 O ATOM 1952 OE2 GLU A 124 -2.872 -4.831 10.408 1.00 0.00 O ATOM 0 H GLU A 124 -0.690 -9.607 11.501 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.566 -9.514 11.051 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.146 -7.937 10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.657 -7.775 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -3.809 -7.002 11.277 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -2.427 -7.372 12.290 1.00 0.00 H new ATOM 1959 N VAL A 125 -1.429 -10.746 8.871 1.00 0.00 N ATOM 1960 CA VAL A 125 -1.318 -11.552 7.661 1.00 0.00 C ATOM 1961 C VAL A 125 -2.093 -12.858 7.798 1.00 0.00 C ATOM 1962 O VAL A 125 -2.719 -13.322 6.845 1.00 0.00 O ATOM 1963 CB VAL A 125 0.152 -11.872 7.333 1.00 0.00 C ATOM 1964 CG1 VAL A 125 0.253 -12.636 6.022 1.00 0.00 C ATOM 1965 CG2 VAL A 125 0.976 -10.594 7.279 1.00 0.00 C ATOM 0 H VAL A 125 -0.540 -10.550 9.330 1.00 0.00 H new ATOM 0 HA VAL A 125 -1.744 -10.964 6.848 1.00 0.00 H new ATOM 0 HB VAL A 125 0.553 -12.503 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.299 -12.853 5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.303 -13.570 6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.165 -12.033 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.012 -10.839 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.576 -9.936 6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 125 0.930 -10.091 8.245 1.00 0.00 H new ATOM 1975 N GLN A 126 -2.046 -13.445 8.989 1.00 0.00 N ATOM 1976 CA GLN A 126 -2.744 -14.698 9.251 1.00 0.00 C ATOM 1977 C GLN A 126 -4.250 -14.475 9.337 1.00 0.00 C ATOM 1978 O GLN A 126 -5.015 -15.020 8.542 1.00 0.00 O ATOM 1979 CB GLN A 126 -2.235 -15.330 10.548 1.00 0.00 C ATOM 1980 CG GLN A 126 -0.718 -15.387 10.642 1.00 0.00 C ATOM 1981 CD GLN A 126 -0.138 -16.613 9.965 1.00 0.00 C ATOM 1982 OE1 GLN A 126 -0.848 -17.582 9.695 1.00 0.00 O ATOM 1983 NE2 GLN A 126 1.160 -16.576 9.686 1.00 0.00 N ATOM 0 H GLN A 126 -1.532 -13.073 9.788 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.542 -15.376 8.422 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.622 -14.764 11.395 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -2.634 -16.341 10.631 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.296 -14.491 10.187 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.422 -15.382 11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.710 -15.752 9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 126 1.606 -17.372 9.230 1.00 0.00 H new ATOM 1992 N ALA A 127 -4.669 -13.670 10.308 1.00 0.00 N ATOM 1993 CA ALA A 127 -6.084 -13.374 10.498 1.00 0.00 C ATOM 1994 C ALA A 127 -6.755 -13.032 9.172 1.00 0.00 C ATOM 1995 O ALA A 127 -7.871 -13.475 8.899 1.00 0.00 O ATOM 1996 CB ALA A 127 -6.256 -12.232 11.488 1.00 0.00 C ATOM 0 H ALA A 127 -4.049 -13.211 10.975 1.00 0.00 H new ATOM 0 HA ALA A 127 -6.566 -14.265 10.901 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -7.317 -12.022 11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.820 -12.513 12.447 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.755 -11.342 11.108 1.00 0.00 H new ATOM 2002 N ILE A 128 -6.069 -12.243 8.353 1.00 0.00 N ATOM 2003 CA ILE A 128 -6.600 -11.843 7.055 1.00 0.00 C ATOM 2004 C ILE A 128 -6.768 -13.047 6.135 1.00 0.00 C ATOM 2005 O ILE A 128 -7.868 -13.329 5.659 1.00 0.00 O ATOM 2006 CB ILE A 128 -5.688 -10.809 6.369 1.00 0.00 C ATOM 2007 CG1 ILE A 128 -5.660 -9.507 7.172 1.00 0.00 C ATOM 2008 CG2 ILE A 128 -6.160 -10.549 4.946 1.00 0.00 C ATOM 2009 CD1 ILE A 128 -4.456 -8.640 6.877 1.00 0.00 C ATOM 0 H ILE A 128 -5.144 -11.868 8.565 1.00 0.00 H new ATOM 0 HA ILE A 128 -7.575 -11.391 7.238 1.00 0.00 H new ATOM 0 HB ILE A 128 -4.675 -11.210 6.329 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.566 -8.940 6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.674 -9.745 8.236 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -5.506 -9.816 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -6.133 -11.479 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.180 -10.165 4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.503 -7.734 7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.545 -9.189 7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.451 -8.371 5.821 1.00 0.00 H new ATOM 2021 N LEU A 129 -5.670 -13.754 5.890 1.00 0.00 N ATOM 2022 CA LEU A 129 -5.695 -14.931 5.028 1.00 0.00 C ATOM 2023 C LEU A 129 -6.866 -15.842 5.384 1.00 0.00 C ATOM 2024 O LEU A 129 -7.560 -16.349 4.504 1.00 0.00 O ATOM 2025 CB LEU A 129 -4.379 -15.702 5.145 1.00 0.00 C ATOM 2026 CG LEU A 129 -3.158 -15.047 4.499 1.00 0.00 C ATOM 2027 CD1 LEU A 129 -1.875 -15.654 5.045 1.00 0.00 C ATOM 2028 CD2 LEU A 129 -3.215 -15.188 2.985 1.00 0.00 C ATOM 0 H LEU A 129 -4.752 -13.533 6.276 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.821 -14.595 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -4.166 -15.859 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -4.517 -16.687 4.698 1.00 0.00 H new ATOM 0 HG LEU A 129 -3.167 -13.985 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.017 -15.175 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.830 -15.500 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.858 -16.722 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.338 -14.716 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -3.232 -16.245 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -4.116 -14.704 2.608 1.00 0.00 H new ATOM 2040 N ALA A 130 -7.078 -16.044 6.680 1.00 0.00 N ATOM 2041 CA ALA A 130 -8.167 -16.890 7.153 1.00 0.00 C ATOM 2042 C ALA A 130 -9.521 -16.240 6.892 1.00 0.00 C ATOM 2043 O ALA A 130 -10.331 -16.755 6.121 1.00 0.00 O ATOM 2044 CB ALA A 130 -7.999 -17.188 8.635 1.00 0.00 C ATOM 0 H ALA A 130 -6.510 -15.633 7.421 1.00 0.00 H new ATOM 0 HA ALA A 130 -8.131 -17.828 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -8.819 -17.821 8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.052 -17.703 8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -8.005 -16.254 9.197 1.00 0.00 H new ATOM 2050 N PHE A 131 -9.762 -15.105 7.541 1.00 0.00 N ATOM 2051 CA PHE A 131 -11.020 -14.385 7.380 1.00 0.00 C ATOM 2052 C PHE A 131 -11.511 -14.462 5.937 1.00 0.00 C ATOM 2053 O PHE A 131 -12.658 -14.828 5.679 1.00 0.00 O ATOM 2054 CB PHE A 131 -10.851 -12.922 7.795 1.00 0.00 C ATOM 2055 CG PHE A 131 -12.026 -12.058 7.438 1.00 0.00 C ATOM 2056 CD1 PHE A 131 -13.244 -12.221 8.078 1.00 0.00 C ATOM 2057 CD2 PHE A 131 -11.913 -11.082 6.460 1.00 0.00 C ATOM 2058 CE1 PHE A 131 -14.327 -11.427 7.752 1.00 0.00 C ATOM 2059 CE2 PHE A 131 -12.993 -10.285 6.130 1.00 0.00 C ATOM 2060 CZ PHE A 131 -14.202 -10.459 6.776 1.00 0.00 C ATOM 0 H PHE A 131 -9.103 -14.664 8.183 1.00 0.00 H new ATOM 0 HA PHE A 131 -11.763 -14.855 8.024 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -10.689 -12.875 8.872 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -9.956 -12.519 7.320 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -13.348 -12.978 8.841 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -10.971 -10.943 5.950 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -15.270 -11.564 8.260 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -12.892 -9.527 5.368 1.00 0.00 H new ATOM 0 HZ PHE A 131 -15.048 -9.839 6.518 1.00 0.00 H new ATOM 2070 N LEU A 132 -10.634 -14.115 5.001 1.00 0.00 N ATOM 2071 CA LEU A 132 -10.977 -14.144 3.584 1.00 0.00 C ATOM 2072 C LEU A 132 -11.591 -15.487 3.200 1.00 0.00 C ATOM 2073 O LEU A 132 -12.629 -15.540 2.539 1.00 0.00 O ATOM 2074 CB LEU A 132 -9.734 -13.877 2.733 1.00 0.00 C ATOM 2075 CG LEU A 132 -9.108 -12.489 2.876 1.00 0.00 C ATOM 2076 CD1 LEU A 132 -7.693 -12.482 2.319 1.00 0.00 C ATOM 2077 CD2 LEU A 132 -9.964 -11.443 2.178 1.00 0.00 C ATOM 0 H LEU A 132 -9.681 -13.810 5.198 1.00 0.00 H new ATOM 0 HA LEU A 132 -11.713 -13.362 3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -8.979 -14.622 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -9.995 -14.030 1.686 1.00 0.00 H new ATOM 0 HG LEU A 132 -9.060 -12.240 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.263 -11.486 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -7.084 -13.203 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -7.716 -12.752 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -9.503 -10.462 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -10.045 -11.687 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -10.958 -11.430 2.624 1.00 0.00 H new ATOM 2089 N SER A 133 -10.945 -16.569 3.619 1.00 0.00 N ATOM 2090 CA SER A 133 -11.426 -17.912 3.318 1.00 0.00 C ATOM 2091 C SER A 133 -12.869 -18.089 3.781 1.00 0.00 C ATOM 2092 O SER A 133 -13.717 -18.581 3.036 1.00 0.00 O ATOM 2093 CB SER A 133 -10.533 -18.959 3.986 1.00 0.00 C ATOM 2094 OG SER A 133 -10.518 -20.166 3.242 1.00 0.00 O ATOM 0 H SER A 133 -10.086 -16.542 4.169 1.00 0.00 H new ATOM 0 HA SER A 133 -11.389 -18.050 2.237 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.518 -18.571 4.077 1.00 0.00 H new ATOM 0 HB3 SER A 133 -10.891 -19.155 4.997 1.00 0.00 H new ATOM 0 HG SER A 133 -9.939 -20.818 3.689 1.00 0.00 H new ATOM 2100 N LEU A 134 -13.141 -17.682 5.016 1.00 0.00 N ATOM 2101 CA LEU A 134 -14.481 -17.795 5.581 1.00 0.00 C ATOM 2102 C LEU A 134 -15.513 -17.141 4.668 1.00 0.00 C ATOM 2103 O LEU A 134 -16.621 -17.651 4.503 1.00 0.00 O ATOM 2104 CB LEU A 134 -14.528 -17.149 6.967 1.00 0.00 C ATOM 2105 CG LEU A 134 -13.431 -17.575 7.943 1.00 0.00 C ATOM 2106 CD1 LEU A 134 -13.501 -16.749 9.218 1.00 0.00 C ATOM 2107 CD2 LEU A 134 -13.546 -19.059 8.260 1.00 0.00 C ATOM 0 H LEU A 134 -12.451 -17.271 5.645 1.00 0.00 H new ATOM 0 HA LEU A 134 -14.722 -18.854 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -14.477 -16.067 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -15.495 -17.373 7.418 1.00 0.00 H new ATOM 0 HG LEU A 134 -12.464 -17.398 7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -12.713 -17.066 9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -13.369 -15.694 8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -14.472 -16.894 9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -12.757 -19.345 8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -14.518 -19.261 8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -13.445 -19.636 7.341 1.00 0.00 H new