USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 689 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 22 HIS : no HD1:sc= 0.395 X(o=1.3,f=0.81) USER MOD Set 1.2: A 59 SER OG : rot -122:sc= 0.857 USER MOD Single : A 25 GLN : amide:sc= -0.0675 K(o=-0.068,f=-0.62) USER MOD Single : A 27 SER OG : rot -140:sc= 0.903 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00332 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.21) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0345 (180deg=-0.32) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= -0.0526 (180deg=-0.167) USER MOD Single : A 48 ASN : amide:sc= -0.0198 K(o=-0.02,f=-3.4!) USER MOD Single : A 62 GLN :FLIP amide:sc= -5.96! C(o=-8.2!,f=-6!) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= -3.4! (180deg=-3.78!) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.134! X(o=-0.13!,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.743 F(o=-1.8!,f=-0.74) USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.216 USER MOD Single : A 86 GLN : amide:sc= -0.719 X(o=-0.72,f=-1.2) USER MOD Single : A 88 THR OG1 : rot -84:sc= 1.12 USER MOD Single : A 93 ASN : amide:sc= 1.15 K(o=1.2,f=-0.034) USER MOD Single : A 96 SER OG : rot 180:sc= -0.351 USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= -0.019 (180deg=-0.177) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 2.914 -11.956 -1.777 1.00 0.00 N ATOM 2 CA GLY A 15 3.766 -12.181 -2.937 1.00 0.00 C ATOM 3 C GLY A 15 5.107 -11.530 -2.765 1.00 0.00 C ATOM 4 O GLY A 15 6.029 -11.731 -3.566 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.897 -13.252 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.280 -11.787 -3.829 1.00 0.00 H new ATOM 8 N LEU A 16 5.262 -10.791 -1.698 1.00 0.00 N ATOM 9 CA LEU A 16 6.430 -10.025 -1.507 1.00 0.00 C ATOM 10 C LEU A 16 6.925 -10.098 -0.097 1.00 0.00 C ATOM 11 O LEU A 16 6.350 -10.798 0.734 1.00 0.00 O ATOM 12 CB LEU A 16 6.234 -8.560 -1.953 1.00 0.00 C ATOM 13 CG LEU A 16 4.939 -7.796 -1.606 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.493 -8.022 -0.193 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.183 -6.315 -1.802 1.00 0.00 C ATOM 0 H LEU A 16 4.575 -10.714 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 16 7.198 -10.464 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.065 -7.986 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.338 -8.539 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 16 4.153 -8.168 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.578 -7.460 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.305 -9.084 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.271 -7.686 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.276 -5.762 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.992 -5.990 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.458 -6.126 -2.840 1.00 0.00 H new ATOM 27 N ARG A 17 7.960 -9.342 0.169 1.00 0.00 N ATOM 28 CA ARG A 17 8.547 -9.303 1.467 1.00 0.00 C ATOM 29 C ARG A 17 7.821 -8.283 2.315 1.00 0.00 C ATOM 30 O ARG A 17 7.648 -8.502 3.512 1.00 0.00 O ATOM 31 CB ARG A 17 10.027 -8.923 1.417 1.00 0.00 C ATOM 32 CG ARG A 17 10.915 -9.790 0.544 1.00 0.00 C ATOM 33 CD ARG A 17 12.354 -9.307 0.674 1.00 0.00 C ATOM 34 NE ARG A 17 13.312 -10.023 -0.178 1.00 0.00 N ATOM 35 CZ ARG A 17 14.645 -10.047 0.024 1.00 0.00 C ATOM 36 NH1 ARG A 17 15.174 -9.588 1.161 1.00 0.00 N ATOM 37 NH2 ARG A 17 15.436 -10.570 -0.903 1.00 0.00 N ATOM 0 H ARG A 17 8.414 -8.738 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 17 8.462 -10.302 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.104 -7.893 1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.420 -8.945 2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.839 -10.834 0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.591 -9.736 -0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.392 -8.245 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.666 -9.406 1.714 1.00 0.00 H new ATOM 0 HE ARG A 17 12.944 -10.538 -0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.568 -9.213 1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.184 -9.613 1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.035 -10.950 -1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.445 -10.592 -0.759 1.00 0.00 H new ATOM 51 N GLU A 18 7.381 -7.147 1.700 1.00 0.00 N ATOM 52 CA GLU A 18 6.697 -6.105 2.533 1.00 0.00 C ATOM 53 C GLU A 18 5.979 -4.996 1.761 1.00 0.00 C ATOM 54 O GLU A 18 6.392 -4.638 0.653 1.00 0.00 O ATOM 55 CB GLU A 18 7.702 -5.398 3.458 1.00 0.00 C ATOM 56 CG GLU A 18 8.853 -4.691 2.763 1.00 0.00 C ATOM 57 CD GLU A 18 9.858 -4.134 3.714 1.00 0.00 C ATOM 58 OE1 GLU A 18 10.048 -4.702 4.806 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.520 -3.158 3.362 1.00 0.00 O ATOM 0 H GLU A 18 7.475 -6.934 0.707 1.00 0.00 H new ATOM 0 HA GLU A 18 5.944 -6.680 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.162 -4.668 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.115 -6.135 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.348 -5.391 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.457 -3.883 2.148 1.00 0.00 H new ATOM 66 N ILE A 19 4.883 -4.484 2.362 1.00 0.00 N ATOM 67 CA ILE A 19 4.272 -3.208 1.970 1.00 0.00 C ATOM 68 C ILE A 19 4.253 -2.301 3.188 1.00 0.00 C ATOM 69 O ILE A 19 3.710 -2.650 4.249 1.00 0.00 O ATOM 70 CB ILE A 19 2.818 -3.325 1.387 1.00 0.00 C ATOM 71 CG1 ILE A 19 2.821 -3.816 -0.052 1.00 0.00 C ATOM 72 CG2 ILE A 19 2.015 -2.014 1.512 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.329 -2.820 -1.056 1.00 0.00 C ATOM 0 H ILE A 19 4.402 -4.948 3.132 1.00 0.00 H new ATOM 0 HA ILE A 19 4.879 -2.805 1.159 1.00 0.00 H new ATOM 0 HB ILE A 19 2.313 -4.071 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.432 -4.716 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.805 -4.101 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.019 -2.156 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.930 -1.738 2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.528 -1.220 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.294 -3.259 -2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.705 -1.927 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.357 -2.551 -0.814 1.00 0.00 H new ATOM 85 N ARG A 20 4.866 -1.182 3.052 1.00 0.00 N ATOM 86 CA ARG A 20 4.888 -0.191 4.082 1.00 0.00 C ATOM 87 C ARG A 20 4.225 1.050 3.542 1.00 0.00 C ATOM 88 O ARG A 20 4.779 1.748 2.694 1.00 0.00 O ATOM 89 CB ARG A 20 6.319 0.148 4.535 1.00 0.00 C ATOM 90 CG ARG A 20 7.119 -1.005 5.136 1.00 0.00 C ATOM 91 CD ARG A 20 8.511 -0.524 5.523 1.00 0.00 C ATOM 92 NE ARG A 20 9.386 -1.596 6.009 1.00 0.00 N ATOM 93 CZ ARG A 20 10.723 -1.487 6.145 1.00 0.00 C ATOM 94 NH1 ARG A 20 11.334 -0.327 5.869 1.00 0.00 N ATOM 95 NH2 ARG A 20 11.435 -2.528 6.569 1.00 0.00 N ATOM 0 H ARG A 20 5.377 -0.918 2.210 1.00 0.00 H new ATOM 0 HA ARG A 20 4.361 -0.580 4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.868 0.538 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.266 0.950 5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.604 -1.398 6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.194 -1.821 4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.976 -0.050 4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.421 0.239 6.296 1.00 0.00 H new ATOM 0 HE ARG A 20 8.954 -2.485 6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.788 0.475 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.346 -0.246 5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.969 -3.408 6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.446 -2.446 6.672 1.00 0.00 H new ATOM 109 N ILE A 21 3.047 1.312 3.979 1.00 0.00 N ATOM 110 CA ILE A 21 2.354 2.477 3.518 1.00 0.00 C ATOM 111 C ILE A 21 2.816 3.656 4.257 1.00 0.00 C ATOM 112 O ILE A 21 2.699 3.710 5.447 1.00 0.00 O ATOM 113 CB ILE A 21 0.863 2.449 3.707 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.397 1.301 4.592 1.00 0.00 C ATOM 115 CG2 ILE A 21 0.150 2.474 2.368 1.00 0.00 C ATOM 116 CD1 ILE A 21 -1.000 1.502 5.087 1.00 0.00 C ATOM 0 H ILE A 21 2.537 0.742 4.654 1.00 0.00 H new ATOM 0 HA ILE A 21 2.570 2.509 2.450 1.00 0.00 H new ATOM 0 HB ILE A 21 0.591 3.356 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.452 0.367 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.072 1.203 5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.928 2.453 2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.419 3.383 1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.446 1.604 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.289 0.658 5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.051 2.421 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.680 1.573 4.238 1.00 0.00 H new ATOM 128 N HIS A 22 3.315 4.584 3.574 1.00 0.00 N ATOM 129 CA HIS A 22 3.726 5.795 4.198 1.00 0.00 C ATOM 130 C HIS A 22 2.557 6.741 4.089 1.00 0.00 C ATOM 131 O HIS A 22 2.162 7.086 2.967 1.00 0.00 O ATOM 132 CB HIS A 22 4.953 6.369 3.470 1.00 0.00 C ATOM 133 CG HIS A 22 6.184 5.500 3.524 1.00 0.00 C ATOM 134 ND1 HIS A 22 7.091 5.408 2.489 1.00 0.00 N ATOM 135 CD2 HIS A 22 6.657 4.690 4.504 1.00 0.00 C ATOM 136 CE1 HIS A 22 8.056 4.579 2.834 1.00 0.00 C ATOM 137 NE2 HIS A 22 7.814 4.133 4.048 1.00 0.00 N ATOM 0 H HIS A 22 3.460 4.548 2.565 1.00 0.00 H new ATOM 0 HA HIS A 22 4.008 5.637 5.239 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.691 6.540 2.426 1.00 0.00 H new ATOM 0 HB3 HIS A 22 5.192 7.341 3.902 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.201 4.518 5.468 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.904 4.310 2.222 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.399 3.476 4.565 1.00 0.00 H new ATOM 146 N LEU A 23 2.024 7.186 5.217 1.00 0.00 N ATOM 147 CA LEU A 23 0.822 7.999 5.197 1.00 0.00 C ATOM 148 C LEU A 23 1.083 9.528 5.380 1.00 0.00 C ATOM 149 O LEU A 23 1.786 10.141 4.568 1.00 0.00 O ATOM 150 CB LEU A 23 -0.222 7.452 6.213 1.00 0.00 C ATOM 151 CG LEU A 23 -1.647 8.044 6.133 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.280 7.758 4.781 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.519 7.504 7.257 1.00 0.00 C ATOM 0 H LEU A 23 2.401 7.000 6.146 1.00 0.00 H new ATOM 0 HA LEU A 23 0.406 7.913 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.294 6.373 6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.161 7.623 7.219 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.568 9.125 6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.282 8.185 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.672 8.203 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.340 6.680 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.518 7.934 7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.584 6.419 7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.081 7.772 8.218 1.00 0.00 H new ATOM 165 N CYS A 24 0.576 10.057 6.482 1.00 0.00 N ATOM 166 CA CYS A 24 0.497 11.494 6.862 1.00 0.00 C ATOM 167 C CYS A 24 -0.284 12.316 5.843 1.00 0.00 C ATOM 168 O CYS A 24 0.173 12.581 4.721 1.00 0.00 O ATOM 169 CB CYS A 24 1.839 12.177 7.295 1.00 0.00 C ATOM 170 SG CYS A 24 2.920 12.871 5.987 1.00 0.00 S ATOM 0 H CYS A 24 0.172 9.461 7.204 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.073 11.480 7.791 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.594 12.983 7.987 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.421 11.444 7.853 1.00 0.00 H new ATOM 175 N GLN A 25 -1.494 12.675 6.214 1.00 0.00 N ATOM 176 CA GLN A 25 -2.346 13.449 5.356 1.00 0.00 C ATOM 177 C GLN A 25 -1.967 14.921 5.520 1.00 0.00 C ATOM 178 O GLN A 25 -2.364 15.570 6.487 1.00 0.00 O ATOM 179 CB GLN A 25 -3.835 13.183 5.718 1.00 0.00 C ATOM 180 CG GLN A 25 -4.857 13.465 4.601 1.00 0.00 C ATOM 181 CD GLN A 25 -5.039 14.926 4.242 1.00 0.00 C ATOM 182 OE1 GLN A 25 -4.928 15.811 5.084 1.00 0.00 O ATOM 183 NE2 GLN A 25 -5.298 15.183 2.996 1.00 0.00 N ATOM 0 H GLN A 25 -1.908 12.437 7.115 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.217 13.167 4.311 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.935 12.141 6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.093 13.793 6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.551 12.924 3.706 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.822 13.060 4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.383 14.420 2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.416 16.148 2.688 1.00 0.00 H new ATOM 192 N ARG A 26 -1.089 15.391 4.661 1.00 0.00 N ATOM 193 CA ARG A 26 -0.680 16.793 4.679 1.00 0.00 C ATOM 194 C ARG A 26 -0.688 17.401 3.291 1.00 0.00 C ATOM 195 O ARG A 26 -0.849 18.615 3.130 1.00 0.00 O ATOM 196 CB ARG A 26 0.716 16.983 5.286 1.00 0.00 C ATOM 197 CG ARG A 26 1.833 16.191 4.615 1.00 0.00 C ATOM 198 CD ARG A 26 3.167 16.851 4.883 1.00 0.00 C ATOM 199 NE ARG A 26 4.318 16.043 4.475 1.00 0.00 N ATOM 200 CZ ARG A 26 4.926 16.054 3.282 1.00 0.00 C ATOM 201 NH1 ARG A 26 4.360 16.593 2.221 1.00 0.00 N ATOM 202 NH2 ARG A 26 6.102 15.461 3.151 1.00 0.00 N ATOM 0 H ARG A 26 -0.640 14.829 3.938 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.413 17.303 5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.970 18.042 5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.677 16.704 6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.842 15.168 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.655 16.134 3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.201 17.806 4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.247 17.069 5.948 1.00 0.00 H new ATOM 0 HE ARG A 26 4.697 15.404 5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.435 17.016 2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.847 16.587 1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.534 15.003 3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.576 15.462 2.248 1.00 0.00 H new ATOM 216 N SER A 27 -0.524 16.579 2.317 1.00 0.00 N ATOM 217 CA SER A 27 -0.410 16.993 0.954 1.00 0.00 C ATOM 218 C SER A 27 -1.404 16.158 0.133 1.00 0.00 C ATOM 219 O SER A 27 -2.168 15.429 0.763 1.00 0.00 O ATOM 220 CB SER A 27 1.045 16.755 0.551 1.00 0.00 C ATOM 221 OG SER A 27 1.922 17.515 1.382 1.00 0.00 O ATOM 0 H SER A 27 -0.463 15.569 2.444 1.00 0.00 H new ATOM 0 HA SER A 27 -0.649 18.044 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.283 15.695 0.634 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.190 17.034 -0.493 1.00 0.00 H new ATOM 0 HG SER A 27 2.650 17.884 0.839 1.00 0.00 H new ATOM 227 N PRO A 28 -1.467 16.303 -1.257 1.00 0.00 N ATOM 228 CA PRO A 28 -2.345 15.499 -2.143 1.00 0.00 C ATOM 229 C PRO A 28 -2.528 14.053 -1.682 1.00 0.00 C ATOM 230 O PRO A 28 -1.678 13.171 -1.933 1.00 0.00 O ATOM 231 CB PRO A 28 -1.606 15.557 -3.471 1.00 0.00 C ATOM 232 CG PRO A 28 -1.053 16.937 -3.504 1.00 0.00 C ATOM 233 CD PRO A 28 -0.739 17.314 -2.068 1.00 0.00 C ATOM 0 HA PRO A 28 -3.363 15.888 -2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.816 14.807 -3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.276 15.373 -4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.155 16.980 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.772 17.632 -3.939 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.333 17.283 -1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.076 18.325 -1.839 1.00 0.00 H new ATOM 241 N GLY A 29 -3.598 13.839 -0.960 1.00 0.00 N ATOM 242 CA GLY A 29 -3.858 12.579 -0.372 1.00 0.00 C ATOM 243 C GLY A 29 -4.789 11.765 -1.168 1.00 0.00 C ATOM 244 O GLY A 29 -5.648 12.302 -1.875 1.00 0.00 O ATOM 0 H GLY A 29 -4.308 14.546 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.920 12.038 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.271 12.726 0.626 1.00 0.00 H new ATOM 248 N SER A 30 -4.652 10.474 -1.056 1.00 0.00 N ATOM 249 CA SER A 30 -5.474 9.599 -1.785 1.00 0.00 C ATOM 250 C SER A 30 -6.625 9.176 -0.920 1.00 0.00 C ATOM 251 O SER A 30 -6.486 8.834 0.285 1.00 0.00 O ATOM 252 CB SER A 30 -4.730 8.361 -2.237 1.00 0.00 C ATOM 253 OG SER A 30 -5.440 7.656 -3.237 1.00 0.00 O ATOM 0 H SER A 30 -3.966 10.017 -0.455 1.00 0.00 H new ATOM 0 HA SER A 30 -5.819 10.130 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.750 8.646 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.561 7.707 -1.382 1.00 0.00 H new ATOM 0 HG SER A 30 -4.928 6.864 -3.505 1.00 0.00 H new ATOM 259 N GLN A 31 -7.697 9.113 -1.539 1.00 0.00 N ATOM 260 CA GLN A 31 -8.921 8.731 -0.926 1.00 0.00 C ATOM 261 C GLN A 31 -8.930 7.248 -0.995 1.00 0.00 C ATOM 262 O GLN A 31 -9.376 6.580 -0.102 1.00 0.00 O ATOM 263 CB GLN A 31 -10.124 9.358 -1.653 1.00 0.00 C ATOM 264 CG GLN A 31 -10.368 8.794 -3.050 1.00 0.00 C ATOM 265 CD GLN A 31 -11.272 9.632 -3.890 1.00 0.00 C ATOM 266 OE1 GLN A 31 -12.491 9.483 -3.866 1.00 0.00 O ATOM 267 NE2 GLN A 31 -10.692 10.467 -4.702 1.00 0.00 N ATOM 0 H GLN A 31 -7.784 9.329 -2.532 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.001 9.081 0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.019 9.207 -1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.969 10.434 -1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.411 8.686 -3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.795 7.795 -2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.677 10.564 -4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.253 11.024 -5.347 1.00 0.00 H new ATOM 276 N GLY A 32 -8.319 6.752 -2.047 1.00 0.00 N ATOM 277 CA GLY A 32 -8.146 5.379 -2.191 1.00 0.00 C ATOM 278 C GLY A 32 -7.212 4.866 -1.173 1.00 0.00 C ATOM 279 O GLY A 32 -7.403 3.764 -0.655 1.00 0.00 O ATOM 0 H GLY A 32 -7.939 7.313 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.107 4.874 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.764 5.157 -3.188 1.00 0.00 H new ATOM 283 N VAL A 33 -6.213 5.689 -0.816 1.00 0.00 N ATOM 284 CA VAL A 33 -5.286 5.245 0.187 1.00 0.00 C ATOM 285 C VAL A 33 -6.002 5.166 1.507 1.00 0.00 C ATOM 286 O VAL A 33 -6.058 4.121 2.061 1.00 0.00 O ATOM 287 CB VAL A 33 -3.917 6.041 0.301 1.00 0.00 C ATOM 288 CG1 VAL A 33 -3.998 7.370 1.043 1.00 0.00 C ATOM 289 CG2 VAL A 33 -2.831 5.169 0.897 1.00 0.00 C ATOM 0 H VAL A 33 -6.046 6.620 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.949 4.261 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.665 6.302 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.012 7.835 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.698 8.030 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.341 7.197 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.904 5.738 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.131 4.845 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.676 4.296 0.263 1.00 0.00 H new ATOM 299 N ARG A 34 -6.628 6.276 1.956 1.00 0.00 N ATOM 300 CA ARG A 34 -7.346 6.316 3.243 1.00 0.00 C ATOM 301 C ARG A 34 -8.375 5.224 3.356 1.00 0.00 C ATOM 302 O ARG A 34 -8.540 4.616 4.402 1.00 0.00 O ATOM 303 CB ARG A 34 -8.018 7.654 3.495 1.00 0.00 C ATOM 304 CG ARG A 34 -9.135 8.042 2.559 1.00 0.00 C ATOM 305 CD ARG A 34 -9.605 9.451 2.837 1.00 0.00 C ATOM 306 NE ARG A 34 -10.145 9.561 4.199 1.00 0.00 N ATOM 307 CZ ARG A 34 -10.090 10.655 4.973 1.00 0.00 C ATOM 308 NH1 ARG A 34 -9.489 11.758 4.539 1.00 0.00 N ATOM 309 NH2 ARG A 34 -10.648 10.638 6.176 1.00 0.00 N ATOM 0 H ARG A 34 -6.649 7.157 1.442 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.578 6.162 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.413 7.650 4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.254 8.431 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.793 7.965 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.967 7.347 2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.776 10.147 2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.370 9.734 2.114 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.600 8.736 4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.065 11.777 3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.451 12.586 5.134 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.116 9.795 6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.609 11.468 6.768 1.00 0.00 H new ATOM 323 N ASP A 35 -9.072 5.011 2.294 1.00 0.00 N ATOM 324 CA ASP A 35 -10.060 3.968 2.203 1.00 0.00 C ATOM 325 C ASP A 35 -9.446 2.656 2.500 1.00 0.00 C ATOM 326 O ASP A 35 -9.938 1.906 3.347 1.00 0.00 O ATOM 327 CB ASP A 35 -10.720 3.938 0.829 1.00 0.00 C ATOM 328 CG ASP A 35 -11.893 4.867 0.631 1.00 0.00 C ATOM 329 OD1 ASP A 35 -11.877 5.990 1.135 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.884 4.454 -0.012 1.00 0.00 O ATOM 0 H ASP A 35 -8.976 5.563 1.442 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.834 4.179 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.964 4.177 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.053 2.919 0.631 1.00 0.00 H new ATOM 335 N PHE A 36 -8.379 2.398 1.827 1.00 0.00 N ATOM 336 CA PHE A 36 -7.599 1.233 2.045 1.00 0.00 C ATOM 337 C PHE A 36 -7.140 1.199 3.508 1.00 0.00 C ATOM 338 O PHE A 36 -7.470 0.279 4.230 1.00 0.00 O ATOM 339 CB PHE A 36 -6.472 1.189 0.950 1.00 0.00 C ATOM 340 CG PHE A 36 -5.079 0.718 1.297 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.279 1.451 2.155 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.536 -0.401 0.685 1.00 0.00 C ATOM 343 CE1 PHE A 36 -2.990 1.065 2.404 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.234 -0.773 0.920 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.461 -0.042 1.782 1.00 0.00 C ATOM 0 H PHE A 36 -8.017 3.006 1.093 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.160 0.307 1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.834 0.553 0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.379 2.197 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.675 2.335 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.145 -0.989 0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.384 1.633 3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.821 -1.640 0.426 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.439 -0.334 1.973 1.00 0.00 H new ATOM 355 N ILE A 37 -6.563 2.293 3.932 1.00 0.00 N ATOM 356 CA ILE A 37 -5.988 2.486 5.283 1.00 0.00 C ATOM 357 C ILE A 37 -7.036 2.140 6.374 1.00 0.00 C ATOM 358 O ILE A 37 -6.714 1.538 7.395 1.00 0.00 O ATOM 359 CB ILE A 37 -5.595 3.994 5.579 1.00 0.00 C ATOM 360 CG1 ILE A 37 -4.715 4.715 4.535 1.00 0.00 C ATOM 361 CG2 ILE A 37 -4.975 4.164 6.957 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.397 4.098 4.220 1.00 0.00 C ATOM 0 H ILE A 37 -6.465 3.119 3.341 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.109 1.842 5.307 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.565 4.488 5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.283 4.792 3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.538 5.732 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.722 5.212 7.115 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.686 3.843 7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.071 3.558 7.027 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.881 4.703 3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.793 4.047 5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.550 3.092 3.829 1.00 0.00 H new ATOM 374 N GLU A 38 -8.289 2.491 6.122 1.00 0.00 N ATOM 375 CA GLU A 38 -9.296 2.474 7.166 1.00 0.00 C ATOM 376 C GLU A 38 -10.192 1.303 7.030 1.00 0.00 C ATOM 377 O GLU A 38 -10.244 0.426 7.892 1.00 0.00 O ATOM 378 CB GLU A 38 -10.150 3.749 7.116 1.00 0.00 C ATOM 379 CG GLU A 38 -9.385 5.031 7.330 1.00 0.00 C ATOM 380 CD GLU A 38 -8.730 5.088 8.688 1.00 0.00 C ATOM 381 OE1 GLU A 38 -9.425 5.380 9.675 1.00 0.00 O ATOM 382 OE2 GLU A 38 -7.524 4.864 8.806 1.00 0.00 O ATOM 0 H GLU A 38 -8.629 2.789 5.208 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.769 2.416 8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.649 3.797 6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.930 3.677 7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.623 5.130 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.062 5.878 7.220 1.00 0.00 H new ATOM 389 N LYS A 39 -10.859 1.280 5.921 1.00 0.00 N ATOM 390 CA LYS A 39 -11.885 0.331 5.634 1.00 0.00 C ATOM 391 C LYS A 39 -11.311 -0.944 5.163 1.00 0.00 C ATOM 392 O LYS A 39 -11.889 -2.012 5.376 1.00 0.00 O ATOM 393 CB LYS A 39 -12.788 0.888 4.558 1.00 0.00 C ATOM 394 CG LYS A 39 -13.522 2.153 4.990 1.00 0.00 C ATOM 395 CD LYS A 39 -14.501 2.653 3.940 1.00 0.00 C ATOM 396 CE LYS A 39 -13.804 2.973 2.646 1.00 0.00 C ATOM 397 NZ LYS A 39 -14.709 3.571 1.651 1.00 0.00 N ATOM 0 H LYS A 39 -10.698 1.945 5.164 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.448 0.144 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.194 1.105 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.518 0.130 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.060 1.957 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.794 2.935 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.266 1.897 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.010 3.543 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.980 3.659 2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.370 2.061 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.198 3.710 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.518 2.937 1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.051 4.489 2.000 1.00 0.00 H new ATOM 411 N ARG A 40 -10.170 -0.875 4.544 1.00 0.00 N ATOM 412 CA ARG A 40 -9.657 -2.038 4.006 1.00 0.00 C ATOM 413 C ARG A 40 -8.632 -2.646 4.918 1.00 0.00 C ATOM 414 O ARG A 40 -8.559 -3.788 4.955 1.00 0.00 O ATOM 415 CB ARG A 40 -9.094 -1.793 2.610 1.00 0.00 C ATOM 416 CG ARG A 40 -8.564 -3.026 1.920 1.00 0.00 C ATOM 417 CD ARG A 40 -9.658 -3.990 1.509 1.00 0.00 C ATOM 418 NE ARG A 40 -9.089 -5.209 0.907 1.00 0.00 N ATOM 419 CZ ARG A 40 -9.331 -5.647 -0.342 1.00 0.00 C ATOM 420 NH1 ARG A 40 -10.076 -4.931 -1.177 1.00 0.00 N ATOM 421 NH2 ARG A 40 -8.771 -6.776 -0.762 1.00 0.00 N ATOM 0 H ARG A 40 -9.609 -0.033 4.415 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.472 -2.755 3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.875 -1.353 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.291 -1.059 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.000 -2.727 1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.868 -3.537 2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.259 -4.256 2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.326 -3.506 0.796 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.460 -5.767 1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.470 -4.041 -0.873 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.254 -5.272 -2.122 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.161 -7.306 -0.139 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.951 -7.113 -1.708 1.00 0.00 H new ATOM 435 N TYR A 41 -7.950 -1.853 5.746 1.00 0.00 N ATOM 436 CA TYR A 41 -6.723 -2.341 6.536 1.00 0.00 C ATOM 437 C TYR A 41 -6.725 -3.834 7.003 1.00 0.00 C ATOM 438 O TYR A 41 -5.890 -4.620 6.562 1.00 0.00 O ATOM 439 CB TYR A 41 -6.509 -1.497 7.775 1.00 0.00 C ATOM 440 CG TYR A 41 -5.171 -1.729 8.453 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.012 -1.113 7.994 1.00 0.00 C ATOM 442 CD2 TYR A 41 -5.070 -2.585 9.543 1.00 0.00 C ATOM 443 CE1 TYR A 41 -2.795 -1.350 8.603 1.00 0.00 C ATOM 444 CE2 TYR A 41 -3.870 -2.823 10.156 1.00 0.00 C ATOM 445 CZ TYR A 41 -2.732 -2.206 9.685 1.00 0.00 C ATOM 446 OH TYR A 41 -1.523 -2.458 10.290 1.00 0.00 O ATOM 0 H TYR A 41 -8.189 -0.876 5.914 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.923 -2.244 5.802 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.590 -0.444 7.504 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.307 -1.706 8.487 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.064 -0.441 7.150 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.959 -3.073 9.915 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.900 -0.870 8.236 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.815 -3.490 11.004 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.654 -3.080 11.036 1.00 0.00 H new ATOM 456 N VAL A 42 -7.600 -4.213 7.878 1.00 0.00 N ATOM 457 CA VAL A 42 -7.562 -5.586 8.387 1.00 0.00 C ATOM 458 C VAL A 42 -8.049 -6.601 7.324 1.00 0.00 C ATOM 459 O VAL A 42 -7.549 -7.736 7.220 1.00 0.00 O ATOM 460 CB VAL A 42 -8.256 -5.693 9.771 1.00 0.00 C ATOM 461 CG1 VAL A 42 -9.533 -4.906 9.777 1.00 0.00 C ATOM 462 CG2 VAL A 42 -8.485 -7.138 10.195 1.00 0.00 C ATOM 0 H VAL A 42 -8.340 -3.624 8.260 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.525 -5.866 8.574 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.582 -5.262 10.511 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.008 -4.991 10.754 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.316 -3.858 9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.204 -5.296 9.012 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.973 -7.158 11.169 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.119 -7.636 9.461 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.527 -7.655 10.258 1.00 0.00 H new ATOM 472 N GLU A 43 -8.927 -6.128 6.475 1.00 0.00 N ATOM 473 CA GLU A 43 -9.402 -6.847 5.296 1.00 0.00 C ATOM 474 C GLU A 43 -8.264 -6.873 4.265 1.00 0.00 C ATOM 475 O GLU A 43 -8.207 -7.718 3.455 1.00 0.00 O ATOM 476 CB GLU A 43 -10.634 -6.081 4.742 1.00 0.00 C ATOM 477 CG GLU A 43 -11.196 -6.533 3.394 1.00 0.00 C ATOM 478 CD GLU A 43 -11.775 -7.906 3.409 1.00 0.00 C ATOM 479 OE1 GLU A 43 -12.881 -8.091 3.949 1.00 0.00 O ATOM 480 OE2 GLU A 43 -11.148 -8.837 2.899 1.00 0.00 O ATOM 0 H GLU A 43 -9.350 -5.206 6.579 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.691 -7.872 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.433 -6.150 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.366 -5.028 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.965 -5.829 3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.402 -6.493 2.649 1.00 0.00 H new ATOM 487 N LEU A 44 -7.351 -5.939 4.347 1.00 0.00 N ATOM 488 CA LEU A 44 -6.259 -5.844 3.474 1.00 0.00 C ATOM 489 C LEU A 44 -5.251 -6.858 3.865 1.00 0.00 C ATOM 490 O LEU A 44 -4.677 -7.520 3.021 1.00 0.00 O ATOM 491 CB LEU A 44 -5.767 -4.418 3.614 1.00 0.00 C ATOM 492 CG LEU A 44 -4.447 -4.007 3.090 1.00 0.00 C ATOM 493 CD1 LEU A 44 -4.394 -4.174 1.620 1.00 0.00 C ATOM 494 CD2 LEU A 44 -4.217 -2.575 3.502 1.00 0.00 C ATOM 0 H LEU A 44 -7.368 -5.207 5.057 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.499 -6.046 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.511 -3.777 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.774 -4.182 4.678 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.656 -4.635 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.415 -3.866 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.564 -5.220 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.165 -3.559 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.249 -2.240 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.003 -1.946 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.233 -2.502 4.589 1.00 0.00 H new ATOM 506 N LYS A 45 -5.097 -7.030 5.143 1.00 0.00 N ATOM 507 CA LYS A 45 -4.181 -7.991 5.626 1.00 0.00 C ATOM 508 C LYS A 45 -4.718 -9.390 5.399 1.00 0.00 C ATOM 509 O LYS A 45 -3.976 -10.305 5.079 1.00 0.00 O ATOM 510 CB LYS A 45 -3.844 -7.747 7.100 1.00 0.00 C ATOM 511 CG LYS A 45 -2.733 -8.636 7.618 1.00 0.00 C ATOM 512 CD LYS A 45 -2.383 -8.320 9.055 1.00 0.00 C ATOM 513 CE LYS A 45 -1.224 -9.178 9.530 1.00 0.00 C ATOM 514 NZ LYS A 45 0.016 -8.931 8.752 1.00 0.00 N ATOM 0 H LYS A 45 -5.600 -6.511 5.863 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.251 -7.892 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.556 -6.704 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.739 -7.909 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.037 -9.680 7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.848 -8.513 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.122 -7.266 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.252 -8.490 9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.035 -8.977 10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.497 -10.230 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.832 -9.320 9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.059 -9.392 7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.145 -7.907 8.621 1.00 0.00 H new ATOM 528 N LYS A 46 -6.017 -9.554 5.525 1.00 0.00 N ATOM 529 CA LYS A 46 -6.586 -10.866 5.358 1.00 0.00 C ATOM 530 C LYS A 46 -6.875 -11.169 3.906 1.00 0.00 C ATOM 531 O LYS A 46 -6.859 -12.341 3.515 1.00 0.00 O ATOM 532 CB LYS A 46 -7.852 -11.033 6.184 1.00 0.00 C ATOM 533 CG LYS A 46 -9.099 -10.406 5.595 1.00 0.00 C ATOM 534 CD LYS A 46 -10.116 -10.172 6.719 1.00 0.00 C ATOM 535 CE LYS A 46 -11.416 -9.584 6.228 1.00 0.00 C ATOM 536 NZ LYS A 46 -12.095 -10.438 5.227 1.00 0.00 N ATOM 0 H LYS A 46 -6.683 -8.812 5.738 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.842 -11.578 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.034 -12.098 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.681 -10.603 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.852 -9.463 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.524 -11.058 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.319 -11.118 7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.680 -9.504 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.082 -9.429 7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.223 -8.604 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.876 -9.908 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.415 -10.720 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.472 -11.287 5.694 1.00 0.00 H new ATOM 550 N ALA A 47 -7.125 -10.148 3.081 1.00 0.00 N ATOM 551 CA ALA A 47 -7.510 -10.455 1.744 1.00 0.00 C ATOM 552 C ALA A 47 -6.285 -10.681 0.868 1.00 0.00 C ATOM 553 O ALA A 47 -6.357 -11.322 -0.189 1.00 0.00 O ATOM 554 CB ALA A 47 -8.409 -9.414 1.118 1.00 0.00 C ATOM 0 H ALA A 47 -7.066 -9.158 3.318 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.093 -11.374 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.661 -9.715 0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.322 -9.321 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.893 -8.454 1.095 1.00 0.00 H new ATOM 560 N ASN A 48 -5.166 -10.173 1.348 1.00 0.00 N ATOM 561 CA ASN A 48 -3.893 -10.202 0.694 1.00 0.00 C ATOM 562 C ASN A 48 -2.974 -10.854 1.731 1.00 0.00 C ATOM 563 O ASN A 48 -2.302 -10.179 2.493 1.00 0.00 O ATOM 564 CB ASN A 48 -3.373 -8.759 0.385 1.00 0.00 C ATOM 565 CG ASN A 48 -4.275 -7.841 -0.479 1.00 0.00 C ATOM 566 OD1 ASN A 48 -5.506 -7.982 -0.529 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.674 -6.847 -1.134 1.00 0.00 N ATOM 0 H ASN A 48 -5.130 -9.706 2.254 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.937 -10.728 -0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.194 -8.256 1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.409 -8.849 -0.115 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.228 -6.191 -1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.661 -6.743 -1.084 1.00 0.00 H new ATOM 574 N PRO A 49 -3.039 -12.179 1.822 1.00 0.00 N ATOM 575 CA PRO A 49 -2.395 -12.977 2.890 1.00 0.00 C ATOM 576 C PRO A 49 -0.918 -12.780 2.995 1.00 0.00 C ATOM 577 O PRO A 49 -0.400 -12.301 4.001 1.00 0.00 O ATOM 578 CB PRO A 49 -2.716 -14.414 2.496 1.00 0.00 C ATOM 579 CG PRO A 49 -3.044 -14.323 1.054 1.00 0.00 C ATOM 580 CD PRO A 49 -3.748 -13.023 0.888 1.00 0.00 C ATOM 0 HA PRO A 49 -2.766 -12.683 3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.868 -15.076 2.672 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.553 -14.809 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.142 -14.362 0.443 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.676 -15.154 0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.680 -12.649 -0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.808 -13.099 1.129 1.00 0.00 H new ATOM 588 N ASP A 50 -0.255 -13.104 1.953 1.00 0.00 N ATOM 589 CA ASP A 50 1.205 -12.981 1.881 1.00 0.00 C ATOM 590 C ASP A 50 1.597 -11.543 1.486 1.00 0.00 C ATOM 591 O ASP A 50 2.625 -11.273 0.841 1.00 0.00 O ATOM 592 CB ASP A 50 1.783 -14.024 0.914 1.00 0.00 C ATOM 593 CG ASP A 50 3.298 -14.079 0.947 1.00 0.00 C ATOM 594 OD1 ASP A 50 3.865 -14.504 1.965 1.00 0.00 O ATOM 595 OD2 ASP A 50 3.947 -13.675 -0.041 1.00 0.00 O ATOM 0 H ASP A 50 -0.684 -13.468 1.102 1.00 0.00 H new ATOM 0 HA ASP A 50 1.633 -13.180 2.864 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.383 -15.006 1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.454 -13.795 -0.100 1.00 0.00 H new ATOM 600 N LEU A 51 0.789 -10.626 1.892 1.00 0.00 N ATOM 601 CA LEU A 51 1.023 -9.268 1.654 1.00 0.00 C ATOM 602 C LEU A 51 1.105 -8.529 2.998 1.00 0.00 C ATOM 603 O LEU A 51 0.111 -8.383 3.680 1.00 0.00 O ATOM 604 CB LEU A 51 -0.088 -8.713 0.716 1.00 0.00 C ATOM 605 CG LEU A 51 -0.084 -7.210 0.357 1.00 0.00 C ATOM 606 CD1 LEU A 51 -0.912 -6.393 1.318 1.00 0.00 C ATOM 607 CD2 LEU A 51 1.314 -6.686 0.347 1.00 0.00 C ATOM 0 H LEU A 51 -0.069 -10.817 2.409 1.00 0.00 H new ATOM 0 HA LEU A 51 1.975 -9.115 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.041 -9.274 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.050 -8.939 1.176 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.527 -7.118 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.879 -5.344 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.944 -6.743 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.512 -6.501 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.303 -5.626 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.759 -6.818 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.901 -7.231 -0.392 1.00 0.00 H new ATOM 619 N PRO A 52 2.323 -8.208 3.452 1.00 0.00 N ATOM 620 CA PRO A 52 2.539 -7.337 4.607 1.00 0.00 C ATOM 621 C PRO A 52 2.018 -5.945 4.395 1.00 0.00 C ATOM 622 O PRO A 52 2.337 -5.321 3.404 1.00 0.00 O ATOM 623 CB PRO A 52 4.032 -7.193 4.662 1.00 0.00 C ATOM 624 CG PRO A 52 4.562 -8.407 4.037 1.00 0.00 C ATOM 625 CD PRO A 52 3.588 -8.764 2.961 1.00 0.00 C ATOM 0 HA PRO A 52 2.048 -7.757 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.361 -6.301 4.129 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.380 -7.096 5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.556 -8.233 3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.655 -9.213 4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.872 -8.331 2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.524 -9.843 2.818 1.00 0.00 H new ATOM 633 N ILE A 53 1.324 -5.452 5.363 1.00 0.00 N ATOM 634 CA ILE A 53 0.825 -4.084 5.369 1.00 0.00 C ATOM 635 C ILE A 53 1.147 -3.431 6.676 1.00 0.00 C ATOM 636 O ILE A 53 0.577 -3.765 7.718 1.00 0.00 O ATOM 637 CB ILE A 53 -0.705 -3.866 5.052 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.627 -4.976 5.575 1.00 0.00 C ATOM 639 CG2 ILE A 53 -0.957 -3.596 3.585 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.702 -6.180 4.666 1.00 0.00 C ATOM 0 H ILE A 53 1.073 -5.983 6.197 1.00 0.00 H new ATOM 0 HA ILE A 53 1.344 -3.625 4.527 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.971 -2.970 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.277 -5.294 6.557 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.630 -4.570 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.025 -3.453 3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.420 -2.697 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.608 -4.443 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.372 -6.923 5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.081 -5.876 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.708 -6.611 4.551 1.00 0.00 H new ATOM 652 N LEU A 54 2.111 -2.569 6.639 1.00 0.00 N ATOM 653 CA LEU A 54 2.487 -1.797 7.790 1.00 0.00 C ATOM 654 C LEU A 54 2.127 -0.362 7.522 1.00 0.00 C ATOM 655 O LEU A 54 2.636 0.227 6.564 1.00 0.00 O ATOM 656 CB LEU A 54 4.009 -1.894 8.094 1.00 0.00 C ATOM 657 CG LEU A 54 4.600 -3.273 8.455 1.00 0.00 C ATOM 658 CD1 LEU A 54 3.815 -3.944 9.571 1.00 0.00 C ATOM 659 CD2 LEU A 54 4.740 -4.182 7.235 1.00 0.00 C ATOM 0 H LEU A 54 2.667 -2.376 5.806 1.00 0.00 H new ATOM 0 HA LEU A 54 1.958 -2.190 8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.546 -1.521 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.227 -1.214 8.917 1.00 0.00 H new ATOM 0 HG LEU A 54 5.609 -3.095 8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.261 -4.913 9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.839 -3.316 10.462 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.781 -4.085 9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.160 -5.140 7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.760 -4.342 6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.400 -3.713 6.506 1.00 0.00 H new ATOM 671 N ILE A 55 1.258 0.200 8.329 1.00 0.00 N ATOM 672 CA ILE A 55 0.865 1.570 8.176 1.00 0.00 C ATOM 673 C ILE A 55 2.008 2.377 8.814 1.00 0.00 C ATOM 674 O ILE A 55 2.351 2.222 9.995 1.00 0.00 O ATOM 675 CB ILE A 55 -0.584 1.835 8.817 1.00 0.00 C ATOM 676 CG1 ILE A 55 -1.318 3.037 8.182 1.00 0.00 C ATOM 677 CG2 ILE A 55 -0.578 1.962 10.331 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.642 4.369 8.316 1.00 0.00 C ATOM 0 H ILE A 55 0.808 -0.283 9.106 1.00 0.00 H new ATOM 0 HA ILE A 55 0.735 1.870 7.136 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.143 0.931 8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.461 2.830 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.309 3.109 8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.593 2.140 10.685 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.196 1.041 10.772 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.060 2.796 10.624 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.249 5.135 7.833 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.523 4.612 9.372 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.338 4.329 7.840 1.00 0.00 H new ATOM 690 N ARG A 56 2.674 3.102 8.007 1.00 0.00 N ATOM 691 CA ARG A 56 3.893 3.781 8.393 1.00 0.00 C ATOM 692 C ARG A 56 3.792 5.273 8.242 1.00 0.00 C ATOM 693 O ARG A 56 2.822 5.811 7.677 1.00 0.00 O ATOM 694 CB ARG A 56 5.065 3.278 7.549 1.00 0.00 C ATOM 695 CG ARG A 56 5.362 1.776 7.663 1.00 0.00 C ATOM 696 CD ARG A 56 5.988 1.372 9.007 1.00 0.00 C ATOM 697 NE ARG A 56 5.125 1.600 10.183 1.00 0.00 N ATOM 698 CZ ARG A 56 5.572 1.612 11.457 1.00 0.00 C ATOM 699 NH1 ARG A 56 6.827 1.256 11.729 1.00 0.00 N ATOM 700 NH2 ARG A 56 4.738 1.907 12.455 1.00 0.00 N ATOM 0 H ARG A 56 2.402 3.258 7.036 1.00 0.00 H new ATOM 0 HA ARG A 56 4.057 3.558 9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.865 3.513 6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.960 3.831 7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.436 1.219 7.522 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.035 1.485 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.252 0.315 8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.916 1.927 9.141 1.00 0.00 H new ATOM 0 HE ARG A 56 4.130 1.758 10.023 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.452 0.974 10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.163 1.266 12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.761 2.124 12.256 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.077 1.916 13.417 1.00 0.00 H new ATOM 714 N GLU A 57 4.807 5.925 8.729 1.00 0.00 N ATOM 715 CA GLU A 57 4.921 7.350 8.666 1.00 0.00 C ATOM 716 C GLU A 57 5.395 7.771 7.278 1.00 0.00 C ATOM 717 O GLU A 57 5.815 6.931 6.477 1.00 0.00 O ATOM 718 CB GLU A 57 5.817 7.876 9.787 1.00 0.00 C ATOM 719 CG GLU A 57 7.190 7.246 9.848 1.00 0.00 C ATOM 720 CD GLU A 57 7.972 7.743 11.026 1.00 0.00 C ATOM 721 OE1 GLU A 57 7.789 7.216 12.137 1.00 0.00 O ATOM 722 OE2 GLU A 57 8.788 8.664 10.871 1.00 0.00 O ATOM 0 H GLU A 57 5.595 5.470 9.191 1.00 0.00 H new ATOM 0 HA GLU A 57 3.941 7.801 8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.932 8.953 9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.315 7.714 10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.092 6.162 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.734 7.467 8.930 1.00 0.00 H new ATOM 729 N CYS A 58 5.307 9.025 6.984 1.00 0.00 N ATOM 730 CA CYS A 58 5.547 9.488 5.653 1.00 0.00 C ATOM 731 C CYS A 58 6.966 9.860 5.299 1.00 0.00 C ATOM 732 O CYS A 58 7.749 10.329 6.122 1.00 0.00 O ATOM 733 CB CYS A 58 4.634 10.611 5.311 1.00 0.00 C ATOM 734 SG CYS A 58 4.716 12.053 6.362 1.00 0.00 S ATOM 0 H CYS A 58 5.068 9.757 7.653 1.00 0.00 H new ATOM 0 HA CYS A 58 5.341 8.606 5.046 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.844 10.922 4.288 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.611 10.236 5.326 1.00 0.00 H new ATOM 739 N SER A 59 7.262 9.610 4.044 1.00 0.00 N ATOM 740 CA SER A 59 8.473 9.980 3.412 1.00 0.00 C ATOM 741 C SER A 59 8.222 11.136 2.407 1.00 0.00 C ATOM 742 O SER A 59 8.872 12.169 2.462 1.00 0.00 O ATOM 743 CB SER A 59 8.926 8.755 2.662 1.00 0.00 C ATOM 744 OG SER A 59 7.806 8.242 1.915 1.00 0.00 O ATOM 0 H SER A 59 6.622 9.118 3.420 1.00 0.00 H new ATOM 0 HA SER A 59 9.214 10.321 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.748 9.003 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.297 8.001 3.356 1.00 0.00 H new ATOM 0 HG SER A 59 7.635 7.313 2.178 1.00 0.00 H new ATOM 750 N ASP A 60 7.207 10.962 1.528 1.00 0.00 N ATOM 751 CA ASP A 60 6.967 11.857 0.426 1.00 0.00 C ATOM 752 C ASP A 60 5.606 12.482 0.630 1.00 0.00 C ATOM 753 O ASP A 60 5.050 12.365 1.730 1.00 0.00 O ATOM 754 CB ASP A 60 6.969 11.056 -0.904 1.00 0.00 C ATOM 755 CG ASP A 60 8.203 10.187 -1.120 1.00 0.00 C ATOM 756 OD1 ASP A 60 8.215 9.011 -0.654 1.00 0.00 O ATOM 757 OD2 ASP A 60 9.155 10.631 -1.785 1.00 0.00 O ATOM 0 H ASP A 60 6.544 10.189 1.583 1.00 0.00 H new ATOM 0 HA ASP A 60 7.742 12.623 0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.084 10.420 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.884 11.756 -1.735 1.00 0.00 H new ATOM 762 N VAL A 61 5.036 12.996 -0.458 1.00 0.00 N ATOM 763 CA VAL A 61 3.775 13.774 -0.500 1.00 0.00 C ATOM 764 C VAL A 61 2.697 13.300 0.485 1.00 0.00 C ATOM 765 O VAL A 61 2.351 14.022 1.409 1.00 0.00 O ATOM 766 CB VAL A 61 3.177 13.785 -1.938 1.00 0.00 C ATOM 767 CG1 VAL A 61 1.910 14.619 -2.017 1.00 0.00 C ATOM 768 CG2 VAL A 61 4.186 14.295 -2.938 1.00 0.00 C ATOM 0 H VAL A 61 5.451 12.883 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 61 4.061 14.780 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 61 2.921 12.754 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.525 14.600 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.162 14.209 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.133 15.647 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.744 14.293 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.479 15.311 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.065 13.650 -2.930 1.00 0.00 H new ATOM 778 N GLN A 62 2.228 12.068 0.340 1.00 0.00 N ATOM 779 CA GLN A 62 1.074 11.638 1.169 1.00 0.00 C ATOM 780 C GLN A 62 0.814 10.126 1.071 1.00 0.00 C ATOM 781 O GLN A 62 1.080 9.444 2.009 1.00 0.00 O ATOM 782 CB GLN A 62 -0.215 12.479 0.869 1.00 0.00 C ATOM 783 CG GLN A 62 -1.323 12.612 1.975 1.00 0.00 C ATOM 784 CD GLN A 62 -2.211 11.380 2.343 1.00 0.00 C ATOM 785 OE1 GLN A 62 -1.684 10.212 2.463 1.00 0.00 O flip ATOM 786 NE2 GLN A 62 -3.379 11.543 2.632 1.00 0.00 N flip ATOM 0 H GLN A 62 2.595 11.368 -0.305 1.00 0.00 H new ATOM 0 HA GLN A 62 1.346 11.839 2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.106 13.487 0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.686 12.052 -0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.830 12.941 2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.993 13.415 1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.803 12.466 2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.936 10.757 2.967 1.00 0.00 H new ATOM 795 N PRO A 63 0.312 9.560 -0.013 1.00 0.00 N ATOM 796 CA PRO A 63 -0.047 8.159 -0.035 1.00 0.00 C ATOM 797 C PRO A 63 0.996 7.298 -0.722 1.00 0.00 C ATOM 798 O PRO A 63 0.832 6.961 -1.858 1.00 0.00 O ATOM 799 CB PRO A 63 -1.324 8.194 -0.873 1.00 0.00 C ATOM 800 CG PRO A 63 -1.239 9.450 -1.709 1.00 0.00 C ATOM 801 CD PRO A 63 0.018 10.167 -1.302 1.00 0.00 C ATOM 0 HA PRO A 63 -0.148 7.730 0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.400 7.309 -1.505 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.208 8.208 -0.236 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.216 9.205 -2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.113 10.081 -1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.825 10.013 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.135 11.243 -1.220 1.00 0.00 H new ATOM 809 N LYS A 64 2.053 6.943 -0.046 1.00 0.00 N ATOM 810 CA LYS A 64 3.129 6.221 -0.734 1.00 0.00 C ATOM 811 C LYS A 64 3.049 4.758 -0.441 1.00 0.00 C ATOM 812 O LYS A 64 2.762 4.350 0.692 1.00 0.00 O ATOM 813 CB LYS A 64 4.537 6.697 -0.327 1.00 0.00 C ATOM 814 CG LYS A 64 4.949 8.130 -0.666 1.00 0.00 C ATOM 815 CD LYS A 64 4.150 9.189 0.077 1.00 0.00 C ATOM 816 CE LYS A 64 4.334 9.079 1.595 1.00 0.00 C ATOM 817 NZ LYS A 64 3.618 10.138 2.358 1.00 0.00 N ATOM 0 H LYS A 64 2.207 7.125 0.946 1.00 0.00 H new ATOM 0 HA LYS A 64 2.984 6.424 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.630 6.572 0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.261 6.026 -0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.007 8.258 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.834 8.287 -1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.461 10.179 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.093 9.087 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.981 8.102 1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.397 9.130 1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.642 9.911 3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.081 11.055 2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.630 10.189 2.038 1.00 0.00 H new ATOM 831 N LEU A 65 3.366 3.993 -1.435 1.00 0.00 N ATOM 832 CA LEU A 65 3.322 2.582 -1.358 1.00 0.00 C ATOM 833 C LEU A 65 4.708 2.065 -1.316 1.00 0.00 C ATOM 834 O LEU A 65 5.360 2.021 -2.348 1.00 0.00 O ATOM 835 CB LEU A 65 2.702 2.067 -2.623 1.00 0.00 C ATOM 836 CG LEU A 65 2.212 0.619 -2.612 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.231 0.382 -1.470 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.577 0.281 -3.948 1.00 0.00 C ATOM 0 H LEU A 65 3.669 4.348 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 65 2.760 2.273 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.858 2.709 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.431 2.172 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 65 3.068 -0.037 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.898 -0.656 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.722 0.592 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.370 1.041 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.230 -0.752 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.732 0.946 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.313 0.406 -4.743 1.00 0.00 H new ATOM 850 N TRP A 66 5.211 1.757 -0.173 1.00 0.00 N ATOM 851 CA TRP A 66 6.494 1.154 -0.164 1.00 0.00 C ATOM 852 C TRP A 66 6.320 -0.337 -0.315 1.00 0.00 C ATOM 853 O TRP A 66 5.545 -0.940 0.407 1.00 0.00 O ATOM 854 CB TRP A 66 7.327 1.462 1.104 1.00 0.00 C ATOM 855 CG TRP A 66 8.510 0.539 1.219 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.626 -0.578 1.999 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.682 0.614 0.461 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.815 -1.195 1.755 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.491 -0.466 0.810 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.124 1.497 -0.476 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.726 -0.661 0.219 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.323 1.306 -1.056 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.113 0.254 -0.721 1.00 0.00 C ATOM 0 H TRP A 66 4.773 1.905 0.736 1.00 0.00 H new ATOM 0 HA TRP A 66 7.057 1.579 -0.995 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.671 2.496 1.073 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.698 1.362 1.988 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.884 -0.920 2.705 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.146 -2.052 2.199 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.516 2.346 -0.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.355 -1.497 0.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.665 2.005 -1.805 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.070 0.137 -1.208 1.00 0.00 H new ATOM 874 N ALA A 67 7.031 -0.900 -1.222 1.00 0.00 N ATOM 875 CA ALA A 67 7.023 -2.294 -1.438 1.00 0.00 C ATOM 876 C ALA A 67 8.431 -2.782 -1.591 1.00 0.00 C ATOM 877 O ALA A 67 9.253 -2.129 -2.250 1.00 0.00 O ATOM 878 CB ALA A 67 6.250 -2.619 -2.693 1.00 0.00 C ATOM 0 H ALA A 67 7.650 -0.387 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 67 6.550 -2.782 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.250 -3.697 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.224 -2.267 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.718 -2.127 -3.546 1.00 0.00 H new ATOM 884 N ARG A 68 8.718 -3.894 -0.976 1.00 0.00 N ATOM 885 CA ARG A 68 9.935 -4.564 -1.156 1.00 0.00 C ATOM 886 C ARG A 68 9.510 -5.980 -1.410 1.00 0.00 C ATOM 887 O ARG A 68 9.111 -6.719 -0.517 1.00 0.00 O ATOM 888 CB ARG A 68 10.863 -4.483 0.053 1.00 0.00 C ATOM 889 CG ARG A 68 12.315 -4.734 -0.309 1.00 0.00 C ATOM 890 CD ARG A 68 12.974 -3.462 -0.852 1.00 0.00 C ATOM 891 NE ARG A 68 14.302 -3.687 -1.450 1.00 0.00 N ATOM 892 CZ ARG A 68 15.367 -2.876 -1.290 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.376 -1.945 -0.332 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.437 -3.031 -2.068 1.00 0.00 N ATOM 0 H ARG A 68 8.084 -4.355 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 68 10.519 -4.121 -1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.772 -3.498 0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.547 -5.212 0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.858 -5.082 0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.376 -5.526 -1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.319 -3.017 -1.601 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.069 -2.739 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 68 14.425 -4.518 -2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.572 -1.843 0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.187 -1.337 -0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.448 -3.761 -2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.245 -2.420 -1.951 1.00 0.00 H new ATOM 908 N TYR A 69 9.433 -6.262 -2.622 1.00 0.00 N ATOM 909 CA TYR A 69 8.949 -7.532 -3.144 1.00 0.00 C ATOM 910 C TYR A 69 9.975 -8.653 -2.944 1.00 0.00 C ATOM 911 O TYR A 69 11.157 -8.404 -2.770 1.00 0.00 O ATOM 912 CB TYR A 69 8.681 -7.410 -4.650 1.00 0.00 C ATOM 913 CG TYR A 69 7.788 -6.263 -5.068 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.433 -6.399 -5.079 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.323 -5.047 -5.472 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.618 -5.365 -5.473 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.519 -4.006 -5.872 1.00 0.00 C ATOM 918 CZ TYR A 69 6.158 -4.174 -5.870 1.00 0.00 C ATOM 919 OH TYR A 69 5.339 -3.151 -6.276 1.00 0.00 O ATOM 0 H TYR A 69 9.710 -5.609 -3.355 1.00 0.00 H new ATOM 0 HA TYR A 69 8.036 -7.775 -2.601 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.637 -7.307 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.232 -8.341 -4.997 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.991 -7.336 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.395 -4.916 -5.472 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.546 -5.494 -5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.954 -3.068 -6.184 1.00 0.00 H new ATOM 0 HH TYR A 69 4.481 -3.213 -5.807 1.00 0.00 H new ATOM 929 N ALA A 70 9.496 -9.889 -2.994 1.00 0.00 N ATOM 930 CA ALA A 70 10.351 -11.083 -2.916 1.00 0.00 C ATOM 931 C ALA A 70 10.648 -11.602 -4.304 1.00 0.00 C ATOM 932 O ALA A 70 11.164 -12.703 -4.496 1.00 0.00 O ATOM 933 CB ALA A 70 9.752 -12.147 -2.022 1.00 0.00 C ATOM 0 H ALA A 70 8.503 -10.100 -3.090 1.00 0.00 H new ATOM 0 HA ALA A 70 11.297 -10.799 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.415 -13.012 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.629 -11.749 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.781 -12.448 -2.415 1.00 0.00 H new ATOM 939 N PHE A 71 10.278 -10.810 -5.269 1.00 0.00 N ATOM 940 CA PHE A 71 10.775 -10.983 -6.598 1.00 0.00 C ATOM 941 C PHE A 71 12.043 -10.138 -6.667 1.00 0.00 C ATOM 942 O PHE A 71 12.710 -10.045 -7.695 1.00 0.00 O ATOM 943 CB PHE A 71 9.770 -10.514 -7.628 1.00 0.00 C ATOM 944 CG PHE A 71 8.477 -11.263 -7.630 1.00 0.00 C ATOM 945 CD1 PHE A 71 8.327 -12.392 -8.407 1.00 0.00 C ATOM 946 CD2 PHE A 71 7.405 -10.832 -6.864 1.00 0.00 C ATOM 947 CE1 PHE A 71 7.137 -13.079 -8.423 1.00 0.00 C ATOM 948 CE2 PHE A 71 6.215 -11.517 -6.875 1.00 0.00 C ATOM 949 CZ PHE A 71 6.081 -12.643 -7.655 1.00 0.00 C ATOM 0 H PHE A 71 9.628 -10.032 -5.156 1.00 0.00 H new ATOM 0 HA PHE A 71 10.967 -12.034 -6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.561 -9.458 -7.457 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.221 -10.593 -8.617 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.153 -12.740 -9.009 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.507 -9.948 -6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.030 -13.961 -9.038 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.387 -11.173 -6.273 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.147 -13.185 -7.665 1.00 0.00 H new ATOM 959 N GLY A 72 12.306 -9.488 -5.524 1.00 0.00 N ATOM 960 CA GLY A 72 13.480 -8.728 -5.281 1.00 0.00 C ATOM 961 C GLY A 72 13.517 -7.383 -5.975 1.00 0.00 C ATOM 962 O GLY A 72 14.562 -6.933 -6.435 1.00 0.00 O ATOM 0 H GLY A 72 11.665 -9.495 -4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.579 -8.570 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.345 -9.310 -5.599 1.00 0.00 H new ATOM 966 N GLN A 73 12.370 -6.751 -6.059 1.00 0.00 N ATOM 967 CA GLN A 73 12.268 -5.394 -6.562 1.00 0.00 C ATOM 968 C GLN A 73 11.647 -4.531 -5.483 1.00 0.00 C ATOM 969 O GLN A 73 11.187 -5.059 -4.458 1.00 0.00 O ATOM 970 CB GLN A 73 11.480 -5.286 -7.886 1.00 0.00 C ATOM 971 CG GLN A 73 12.132 -6.009 -9.053 1.00 0.00 C ATOM 972 CD GLN A 73 11.588 -5.561 -10.399 1.00 0.00 C ATOM 973 OE1 GLN A 73 12.110 -4.626 -11.008 1.00 0.00 O ATOM 974 NE2 GLN A 73 10.571 -6.205 -10.879 1.00 0.00 N ATOM 0 H GLN A 73 11.478 -7.160 -5.781 1.00 0.00 H new ATOM 0 HA GLN A 73 13.273 -5.044 -6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.479 -5.690 -7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.364 -4.233 -8.143 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.208 -5.838 -9.026 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.977 -7.082 -8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.160 -6.975 -10.352 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.182 -5.942 -11.784 1.00 0.00 H new ATOM 983 N GLU A 74 11.650 -3.243 -5.659 1.00 0.00 N ATOM 984 CA GLU A 74 11.086 -2.357 -4.670 1.00 0.00 C ATOM 985 C GLU A 74 10.308 -1.248 -5.351 1.00 0.00 C ATOM 986 O GLU A 74 10.305 -1.161 -6.581 1.00 0.00 O ATOM 987 CB GLU A 74 12.196 -1.746 -3.780 1.00 0.00 C ATOM 988 CG GLU A 74 13.093 -0.698 -4.454 1.00 0.00 C ATOM 989 CD GLU A 74 13.850 -1.211 -5.658 1.00 0.00 C ATOM 990 OE1 GLU A 74 14.962 -1.739 -5.495 1.00 0.00 O ATOM 991 OE2 GLU A 74 13.339 -1.085 -6.796 1.00 0.00 O ATOM 0 H GLU A 74 12.037 -2.776 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 74 10.414 -2.936 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.726 -1.288 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.828 -2.555 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.477 0.148 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.808 -0.324 -3.722 1.00 0.00 H new ATOM 998 N THR A 75 9.636 -0.443 -4.568 1.00 0.00 N ATOM 999 CA THR A 75 8.974 0.733 -5.041 1.00 0.00 C ATOM 1000 C THR A 75 8.469 1.468 -3.817 1.00 0.00 C ATOM 1001 O THR A 75 8.290 0.861 -2.781 1.00 0.00 O ATOM 1002 CB THR A 75 7.801 0.413 -6.046 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.369 1.609 -6.725 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.601 -0.208 -5.343 1.00 0.00 C ATOM 0 H THR A 75 9.535 -0.595 -3.564 1.00 0.00 H new ATOM 0 HA THR A 75 9.672 1.346 -5.611 1.00 0.00 H new ATOM 0 HB THR A 75 8.196 -0.304 -6.766 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.642 1.389 -7.345 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.817 -0.412 -6.073 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.902 -1.140 -4.864 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.224 0.483 -4.589 1.00 0.00 H new ATOM 1012 N ASN A 76 8.338 2.743 -3.915 1.00 0.00 N ATOM 1013 CA ASN A 76 7.831 3.582 -2.846 1.00 0.00 C ATOM 1014 C ASN A 76 7.027 4.675 -3.470 1.00 0.00 C ATOM 1015 O ASN A 76 7.582 5.674 -3.942 1.00 0.00 O ATOM 1016 CB ASN A 76 8.973 4.131 -1.947 1.00 0.00 C ATOM 1017 CG ASN A 76 10.206 4.649 -2.699 1.00 0.00 C ATOM 1018 OD1 ASN A 76 11.237 3.805 -2.838 1.00 0.00 O flip ATOM 1019 ND2 ASN A 76 10.267 5.816 -3.098 1.00 0.00 N flip ATOM 0 H ASN A 76 8.583 3.262 -4.758 1.00 0.00 H new ATOM 0 HA ASN A 76 7.199 2.996 -2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.574 4.940 -1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.289 3.341 -1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.467 6.438 -2.980 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.117 6.158 -3.546 1.00 0.00 H new ATOM 1026 N VAL A 77 5.709 4.498 -3.562 1.00 0.00 N ATOM 1027 CA VAL A 77 5.017 5.448 -4.421 1.00 0.00 C ATOM 1028 C VAL A 77 3.638 5.931 -4.091 1.00 0.00 C ATOM 1029 O VAL A 77 2.752 5.165 -3.776 1.00 0.00 O ATOM 1030 CB VAL A 77 5.140 5.019 -5.866 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.674 3.577 -6.088 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.526 5.978 -6.879 1.00 0.00 C ATOM 0 H VAL A 77 5.147 3.781 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 77 5.562 6.367 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 77 6.211 5.058 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.782 3.318 -7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.280 2.902 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.628 3.484 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.665 5.583 -7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.461 6.088 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.012 6.950 -6.801 1.00 0.00 H new ATOM 1042 N PRO A 78 3.512 7.270 -4.130 1.00 0.00 N ATOM 1043 CA PRO A 78 2.260 7.998 -4.077 1.00 0.00 C ATOM 1044 C PRO A 78 1.286 7.427 -5.064 1.00 0.00 C ATOM 1045 O PRO A 78 1.391 7.592 -6.271 1.00 0.00 O ATOM 1046 CB PRO A 78 2.667 9.426 -4.410 1.00 0.00 C ATOM 1047 CG PRO A 78 4.052 9.503 -3.897 1.00 0.00 C ATOM 1048 CD PRO A 78 4.643 8.168 -4.224 1.00 0.00 C ATOM 0 HA PRO A 78 1.752 7.940 -3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.622 9.619 -5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.016 10.155 -3.927 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.608 10.311 -4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.069 9.693 -2.824 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.084 8.157 -5.221 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.432 7.895 -3.524 1.00 0.00 H new ATOM 1056 N LEU A 79 0.398 6.695 -4.507 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.594 5.938 -5.175 1.00 0.00 C ATOM 1058 C LEU A 79 -1.919 6.718 -5.198 1.00 0.00 C ATOM 1059 O LEU A 79 -3.017 6.157 -5.313 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.650 4.574 -4.443 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.861 4.568 -2.901 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -2.207 5.118 -2.498 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.723 3.167 -2.367 1.00 0.00 C ATOM 0 H LEU A 79 0.340 6.601 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.371 5.755 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.455 3.990 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.281 4.047 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.095 5.216 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.301 5.090 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.298 6.148 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.996 4.514 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.872 3.173 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.470 2.525 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.274 2.788 -2.593 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.762 8.032 -5.162 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.847 9.046 -5.115 1.00 0.00 C ATOM 1077 C ASN A 80 -3.842 8.927 -6.294 1.00 0.00 C ATOM 1078 O ASN A 80 -4.952 9.456 -6.253 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.179 10.449 -5.052 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.103 11.677 -5.058 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -4.285 11.575 -4.503 1.00 0.00 O flip ATOM 1082 ND2 ASN A 80 -2.716 12.734 -5.559 1.00 0.00 N flip ATOM 0 H ASN A 80 -0.836 8.459 -5.164 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.456 8.878 -4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.570 10.491 -4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.499 10.536 -5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.791 12.788 -5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.321 13.555 -5.547 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.465 8.185 -7.274 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.246 8.033 -8.490 1.00 0.00 C ATOM 1091 C ASN A 81 -5.322 6.939 -8.356 1.00 0.00 C ATOM 1092 O ASN A 81 -6.342 6.982 -9.055 1.00 0.00 O ATOM 1093 CB ASN A 81 -3.304 7.669 -9.641 1.00 0.00 C ATOM 1094 CG ASN A 81 -3.923 7.793 -11.010 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -4.569 6.876 -11.517 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -3.673 8.893 -11.644 1.00 0.00 N ATOM 0 H ASN A 81 -2.596 7.651 -7.272 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.755 8.978 -8.683 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.425 8.311 -9.593 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.958 6.645 -9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.015 9.022 -12.596 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.134 9.631 -11.191 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.129 5.993 -7.451 1.00 0.00 N ATOM 1104 CA PHE A 82 -5.999 4.844 -7.371 1.00 0.00 C ATOM 1105 C PHE A 82 -6.833 4.908 -6.116 1.00 0.00 C ATOM 1106 O PHE A 82 -6.425 5.506 -5.109 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.184 3.541 -7.384 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.163 3.460 -8.486 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -4.528 3.089 -9.762 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -2.832 3.765 -8.234 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -3.593 3.021 -10.773 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -1.892 3.700 -9.240 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.272 3.327 -10.511 1.00 0.00 C ATOM 0 H PHE A 82 -4.375 6.003 -6.764 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.656 4.855 -8.241 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.676 3.434 -6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.869 2.699 -7.477 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.560 2.848 -9.973 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.530 4.056 -7.239 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.893 2.729 -11.768 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.860 3.941 -9.033 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.538 3.274 -11.301 1.00 0.00 H new ATOM 1123 N SER A 83 -7.991 4.340 -6.201 1.00 0.00 N ATOM 1124 CA SER A 83 -8.925 4.283 -5.102 1.00 0.00 C ATOM 1125 C SER A 83 -8.737 2.972 -4.279 1.00 0.00 C ATOM 1126 O SER A 83 -7.821 2.215 -4.550 1.00 0.00 O ATOM 1127 CB SER A 83 -10.354 4.449 -5.621 1.00 0.00 C ATOM 1128 OG SER A 83 -11.277 4.617 -4.550 1.00 0.00 O ATOM 0 H SER A 83 -8.331 3.890 -7.051 1.00 0.00 H new ATOM 0 HA SER A 83 -8.726 5.109 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.404 5.311 -6.286 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.633 3.576 -6.211 1.00 0.00 H new ATOM 0 HG SER A 83 -12.182 4.722 -4.911 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.616 2.745 -3.280 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.515 1.637 -2.300 1.00 0.00 C ATOM 1136 C ALA A 84 -9.352 0.259 -2.962 1.00 0.00 C ATOM 1137 O ALA A 84 -8.350 -0.473 -2.731 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.760 1.624 -1.440 1.00 0.00 C ATOM 0 H ALA A 84 -10.432 3.337 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.620 1.817 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.694 0.812 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.848 2.574 -0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.637 1.477 -2.071 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.325 -0.091 -3.786 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.358 -1.387 -4.487 1.00 0.00 C ATOM 1146 C ASP A 85 -9.164 -1.495 -5.377 1.00 0.00 C ATOM 1147 O ASP A 85 -8.464 -2.506 -5.405 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.590 -1.466 -5.355 1.00 0.00 C ATOM 1149 CG ASP A 85 -11.867 -2.863 -5.870 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -12.472 -3.663 -5.120 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -11.521 -3.167 -7.031 1.00 0.00 O ATOM 0 H ASP A 85 -11.122 0.510 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.364 -2.188 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.451 -1.118 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.474 -0.790 -6.202 1.00 0.00 H new ATOM 1156 N GLN A 86 -8.943 -0.433 -6.089 1.00 0.00 N ATOM 1157 CA GLN A 86 -7.821 -0.318 -6.992 1.00 0.00 C ATOM 1158 C GLN A 86 -6.492 -0.503 -6.336 1.00 0.00 C ATOM 1159 O GLN A 86 -5.734 -1.334 -6.791 1.00 0.00 O ATOM 1160 CB GLN A 86 -7.870 0.949 -7.827 1.00 0.00 C ATOM 1161 CG GLN A 86 -8.931 0.908 -8.896 1.00 0.00 C ATOM 1162 CD GLN A 86 -8.787 -0.339 -9.722 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -9.412 -1.363 -9.452 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -7.921 -0.301 -10.669 1.00 0.00 N ATOM 0 H GLN A 86 -9.540 0.394 -6.065 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.929 -1.159 -7.677 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.053 1.802 -7.173 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.898 1.108 -8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -9.920 0.938 -8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.849 1.788 -9.535 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.420 0.565 -10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.734 -1.137 -11.223 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.203 0.225 -5.272 1.00 0.00 N ATOM 1174 CA VAL A 87 -4.933 0.053 -4.600 1.00 0.00 C ATOM 1175 C VAL A 87 -4.774 -1.364 -4.105 1.00 0.00 C ATOM 1176 O VAL A 87 -3.785 -1.980 -4.371 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.628 1.092 -3.462 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.421 2.477 -4.026 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.714 1.134 -2.431 1.00 0.00 C ATOM 0 H VAL A 87 -6.819 0.927 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.183 0.259 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.709 0.758 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.212 3.173 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.580 2.466 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.321 2.794 -4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.460 1.866 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.654 1.416 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.819 0.151 -1.973 1.00 0.00 H new ATOM 1189 N THR A 88 -5.800 -1.918 -3.509 1.00 0.00 N ATOM 1190 CA THR A 88 -5.689 -3.248 -2.944 1.00 0.00 C ATOM 1191 C THR A 88 -5.503 -4.356 -3.983 1.00 0.00 C ATOM 1192 O THR A 88 -4.642 -5.265 -3.836 1.00 0.00 O ATOM 1193 CB THR A 88 -6.849 -3.534 -2.009 1.00 0.00 C ATOM 1194 OG1 THR A 88 -8.086 -3.231 -2.671 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.719 -2.675 -0.787 1.00 0.00 C ATOM 0 H THR A 88 -6.714 -1.478 -3.401 1.00 0.00 H new ATOM 0 HA THR A 88 -4.766 -3.255 -2.364 1.00 0.00 H new ATOM 0 HB THR A 88 -6.838 -4.586 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.279 -2.275 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.550 -2.876 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.779 -2.899 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.733 -1.625 -1.077 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.219 -4.243 -5.030 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.205 -5.241 -6.056 1.00 0.00 C ATOM 1205 C ARG A 89 -5.015 -5.050 -6.984 1.00 0.00 C ATOM 1206 O ARG A 89 -4.393 -6.030 -7.416 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.537 -5.255 -6.785 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.623 -6.212 -7.939 1.00 0.00 C ATOM 1209 CD ARG A 89 -9.053 -6.389 -8.361 1.00 0.00 C ATOM 1210 NE ARG A 89 -9.830 -7.117 -7.346 1.00 0.00 N ATOM 1211 CZ ARG A 89 -11.168 -7.186 -7.310 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -11.902 -6.345 -8.025 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -11.767 -8.056 -6.517 1.00 0.00 N ATOM 0 H ARG A 89 -6.841 -3.456 -5.214 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.078 -6.225 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.322 -5.501 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.743 -4.249 -7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.033 -5.838 -8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.198 -7.175 -7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.505 -5.413 -8.535 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.090 -6.931 -9.306 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.312 -7.605 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.449 -5.640 -8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.920 -6.403 -7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.211 -8.678 -5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.785 -8.106 -6.492 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.669 -3.804 -7.273 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.459 -3.532 -8.040 1.00 0.00 C ATOM 1229 C ALA A 90 -2.267 -3.933 -7.216 1.00 0.00 C ATOM 1230 O ALA A 90 -1.295 -4.391 -7.777 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.356 -2.078 -8.483 1.00 0.00 C ATOM 0 H ALA A 90 -5.197 -2.977 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.495 -4.119 -8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.436 -1.935 -9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.211 -1.827 -9.111 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.347 -1.430 -7.606 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.361 -3.780 -5.858 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.330 -4.308 -4.958 1.00 0.00 C ATOM 1239 C LEU A 91 -1.142 -5.746 -5.249 1.00 0.00 C ATOM 1240 O LEU A 91 -0.086 -6.153 -5.644 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.656 -4.188 -3.436 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.906 -3.110 -2.627 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.130 -1.725 -3.170 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.297 -3.181 -1.161 1.00 0.00 C ATOM 0 H LEU A 91 -3.130 -3.303 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.443 -3.703 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.725 -4.000 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.457 -5.154 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 91 0.160 -3.319 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.580 -1.004 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.778 -1.677 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.194 -1.489 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.759 -2.414 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.370 -3.016 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.043 -4.164 -0.764 1.00 0.00 H new ATOM 1256 N GLU A 92 -2.197 -6.509 -5.125 1.00 0.00 N ATOM 1257 CA GLU A 92 -2.091 -7.962 -5.294 1.00 0.00 C ATOM 1258 C GLU A 92 -1.518 -8.314 -6.661 1.00 0.00 C ATOM 1259 O GLU A 92 -0.692 -9.230 -6.776 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.425 -8.649 -5.056 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.346 -10.164 -4.938 1.00 0.00 C ATOM 1262 CD GLU A 92 -4.707 -10.815 -4.940 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -5.360 -10.887 -3.882 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -5.157 -11.261 -6.013 1.00 0.00 O ATOM 0 H GLU A 92 -3.134 -6.169 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.398 -8.333 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.867 -8.249 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.100 -8.396 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.756 -10.559 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.822 -10.427 -4.019 1.00 0.00 H new ATOM 1271 N ASN A 93 -1.925 -7.575 -7.644 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.393 -7.699 -8.975 1.00 0.00 C ATOM 1273 C ASN A 93 0.119 -7.478 -8.967 1.00 0.00 C ATOM 1274 O ASN A 93 0.911 -8.444 -9.160 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.124 -6.721 -9.915 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.357 -7.340 -10.537 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.284 -7.951 -11.592 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.484 -7.195 -9.899 1.00 0.00 N ATOM 0 H ASN A 93 -2.645 -6.858 -7.550 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.563 -8.709 -9.349 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.409 -5.829 -9.358 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.443 -6.400 -10.704 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.341 -7.598 -10.279 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.510 -6.679 -9.020 1.00 0.00 H new ATOM 1285 N VAL A 94 0.524 -6.258 -8.624 1.00 0.00 N ATOM 1286 CA VAL A 94 1.923 -5.881 -8.596 1.00 0.00 C ATOM 1287 C VAL A 94 2.766 -6.727 -7.715 1.00 0.00 C ATOM 1288 O VAL A 94 3.859 -7.135 -8.105 1.00 0.00 O ATOM 1289 CB VAL A 94 2.212 -4.406 -8.247 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.829 -3.470 -9.370 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.586 -3.942 -6.941 1.00 0.00 C ATOM 0 H VAL A 94 -0.113 -5.507 -8.359 1.00 0.00 H new ATOM 0 HA VAL A 94 2.197 -6.045 -9.638 1.00 0.00 H new ATOM 0 HB VAL A 94 3.292 -4.366 -8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.050 -2.443 -9.079 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.397 -3.724 -10.265 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.763 -3.567 -9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.837 -2.895 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.503 -4.051 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.969 -4.546 -6.119 1.00 0.00 H new ATOM 1301 N LEU A 95 2.284 -7.041 -6.581 1.00 0.00 N ATOM 1302 CA LEU A 95 3.156 -7.641 -5.651 1.00 0.00 C ATOM 1303 C LEU A 95 3.103 -9.091 -5.564 1.00 0.00 C ATOM 1304 O LEU A 95 4.010 -9.701 -5.010 1.00 0.00 O ATOM 1305 CB LEU A 95 3.086 -6.963 -4.321 1.00 0.00 C ATOM 1306 CG LEU A 95 1.730 -6.871 -3.656 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.300 -8.146 -2.946 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.657 -5.661 -2.779 1.00 0.00 C ATOM 0 H LEU A 95 1.321 -6.900 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 95 4.152 -7.474 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.760 -7.485 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.473 -5.951 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 95 0.996 -6.754 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.318 -7.998 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.250 -8.964 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.023 -8.391 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.675 -5.611 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.425 -5.723 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.818 -4.766 -3.380 1.00 0.00 H new ATOM 1320 N SER A 96 2.087 -9.672 -6.034 1.00 0.00 N ATOM 1321 CA SER A 96 2.098 -11.070 -5.969 1.00 0.00 C ATOM 1322 C SER A 96 2.571 -11.642 -7.301 1.00 0.00 C ATOM 1323 O SER A 96 2.878 -12.833 -7.379 1.00 0.00 O ATOM 1324 CB SER A 96 0.747 -11.643 -5.554 1.00 0.00 C ATOM 1325 OG SER A 96 0.267 -10.999 -4.377 1.00 0.00 O ATOM 0 H SER A 96 1.267 -9.232 -6.452 1.00 0.00 H new ATOM 0 HA SER A 96 2.800 -11.368 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.028 -11.515 -6.363 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.840 -12.714 -5.376 1.00 0.00 H new ATOM 0 HG SER A 96 -0.601 -11.379 -4.127 1.00 0.00 H new ATOM 1331 N GLY A 97 2.602 -10.814 -8.364 1.00 0.00 N ATOM 1332 CA GLY A 97 3.126 -11.338 -9.594 1.00 0.00 C ATOM 1333 C GLY A 97 3.683 -10.311 -10.559 1.00 0.00 C ATOM 1334 O GLY A 97 4.010 -10.670 -11.697 1.00 0.00 O ATOM 0 H GLY A 97 2.287 -9.844 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.914 -12.053 -9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 97 2.334 -11.892 -10.098 1.00 0.00 H new ATOM 1338 N LYS A 98 3.816 -9.042 -10.172 1.00 0.00 N ATOM 1339 CA LYS A 98 4.296 -8.093 -11.177 1.00 0.00 C ATOM 1340 C LYS A 98 5.735 -7.791 -11.091 1.00 0.00 C ATOM 1341 O LYS A 98 6.517 -8.110 -11.993 1.00 0.00 O ATOM 1342 CB LYS A 98 3.468 -6.814 -11.302 1.00 0.00 C ATOM 1343 CG LYS A 98 2.115 -7.002 -11.949 1.00 0.00 C ATOM 1344 CD LYS A 98 2.261 -7.472 -13.377 1.00 0.00 C ATOM 1345 CE LYS A 98 0.910 -7.641 -14.048 1.00 0.00 C ATOM 1346 NZ LYS A 98 0.168 -6.367 -14.162 1.00 0.00 N ATOM 0 H LYS A 98 3.616 -8.667 -9.245 1.00 0.00 H new ATOM 0 HA LYS A 98 4.146 -8.643 -12.106 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.325 -6.390 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.035 -6.085 -11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.533 -7.728 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.563 -6.063 -11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.860 -6.754 -13.938 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.799 -8.420 -13.396 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.053 -8.064 -15.042 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.313 -8.355 -13.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.644 -6.494 -14.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.171 -6.077 -13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.797 -5.632 -14.545 1.00 0.00 H new ATOM 1360 N ALA A 99 6.071 -7.210 -10.048 1.00 0.00 N ATOM 1361 CA ALA A 99 7.378 -6.680 -9.845 1.00 0.00 C ATOM 1362 C ALA A 99 8.318 -7.699 -9.234 1.00 0.00 C ATOM 1363 O ALA A 99 9.062 -8.381 -10.016 1.00 0.00 O ATOM 1364 CB ALA A 99 7.281 -5.432 -9.011 1.00 0.00 C ATOM 1365 OXT ALA A 99 8.345 -7.828 -8.020 1.00 0.00 O ATOM 0 H ALA A 99 5.441 -7.067 -9.258 1.00 0.00 H new ATOM 0 HA ALA A 99 7.807 -6.425 -10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.278 -5.022 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.664 -4.696 -9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.830 -5.672 -8.048 1.00 0.00 H new